*HEADER    OXYGEN STORAGE/TRANSPORT                31-JAN-02   1KX7              
*TITLE     FAMILY OF 30 STRUCTURES OF A MONO-HEME FERROCYTOCHROME C              
*TITLE    2 FROM SHEWANELLA PUTREFACIENS SOLVED BY NMR                           
*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, 30 STRUCTURES                                                    
*AUTHOR    I.BARTALESI, I.BERTINI, P.HAJIEVA, A.ROSATO, P.R.VASOS                
*REVDAT   1   13-FEB-02 1KX7    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
  Start of MODEL    1
    1   1H    ALA  -3          1H        ALA  -3   1.426  -3.141 -13.751
    2   2H    ALA  -3          2H        ALA  -3   0.248  -2.606 -14.786
    3   3H    ALA  -3          3H        ALA  -3   0.714  -4.179 -14.802
    4    HA   ALA  -3           HA       ALA  -3   1.586  -2.999 -16.682
    5   1HB   ALA  -3          1HB       ALA  -3   1.802  -0.781 -15.687
    6   2HB   ALA  -3          2HB       ALA  -3   3.087  -1.350 -14.598
    7   3HB   ALA  -3          3HB       ALA  -3   3.349  -1.320 -16.352
    8    H    ASP  -2           H        ASP  -2   3.938  -3.257 -13.934
    9    HA   ASP  -2           HA       ASP  -2   4.737  -5.955 -14.715
   10   1HB   ASP  -2          1HB       ASP  -2   6.288  -3.462 -15.398
   11   2HB   ASP  -2          2HB       ASP  -2   7.196  -4.769 -14.635
   12    H    LEU  -1           H        LEU  -1   5.223  -6.998 -12.954
   13    HA   LEU  -1           HA       LEU  -1   5.810  -5.588 -10.391
   14   1HB   LEU  -1          1HB       LEU  -1   4.855  -7.632  -9.315
   15   2HB   LEU  -1          2HB       LEU  -1   3.734  -6.489  -9.984
   16    HG   LEU  -1           HG       LEU  -1   3.133  -8.859 -10.242
   17   1HD1  LEU  -1          1HD1      LEU  -1   2.185  -7.007 -11.615
   18   2HD1  LEU  -1          2HD1      LEU  -1   3.310  -7.426 -12.916
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.118  -8.605 -12.384
   20   1HD2  LEU  -1          1HD2      LEU  -1   5.325  -9.046 -12.324
   21   2HD2  LEU  -1          2HD2      LEU  -1   5.200  -9.931 -10.779
   22   3HD2  LEU  -1          3HD2      LEU  -1   4.015 -10.211 -12.056
   23    H    GLN   1           H        GLN   1   7.847  -5.708 -11.840
   24    HA   GLN   1           HA       GLN   1   9.362  -8.179 -11.189
   25   1HB   GLN   1          1HB       GLN   1   9.598  -5.915 -13.160
   26   2HB   GLN   1          2HB       GLN   1  11.119  -6.316 -12.385
   27   1HG   GLN   1          1HG       GLN   1  11.122  -7.646 -14.300
   28   2HG   GLN   1          2HG       GLN   1  10.685  -8.771 -13.014
   29   1HE2  GLN   1          1HE2      GLN   1   9.701  -7.253 -15.995
   30   2HE2  GLN   1          2HE2      GLN   1   8.003  -7.650 -15.959
   31    H    ASP   2           H        ASP   2   8.771  -5.071  -9.935
   32    HA   ASP   2           HA       ASP   2  10.762  -5.523  -7.837
   33   1HB   ASP   2          1HB       ASP   2  12.027  -4.255  -9.524
   34   2HB   ASP   2          2HB       ASP   2  10.800  -2.982  -9.511
   35    H    ALA   3           H        ALA   3   9.783  -5.218  -6.023
   36    HA   ALA   3           HA       ALA   3   7.151  -4.237  -5.594
   37   1HB   ALA   3          1HB       ALA   3   8.371  -5.775  -4.159
   38   2HB   ALA   3          2HB       ALA   3   9.533  -4.501  -3.714
   39   3HB   ALA   3          3HB       ALA   3   7.825  -4.333  -3.260
   40    H    GLU   4           H        GLU   4  10.361  -2.607  -5.543
   41    HA   GLU   4           HA       GLU   4   9.380  -0.135  -4.476
   42   1HB   GLU   4          1HB       GLU   4  11.710  -0.473  -4.357
   43   2HB   GLU   4          2HB       GLU   4  11.865  -0.749  -6.094
   44   1HG   GLU   4          1HG       GLU   4  11.810   1.479  -6.610
   45   2HG   GLU   4          2HG       GLU   4  10.543   1.844  -5.443
   46    H    ALA   5           H        ALA   5   9.734  -1.485  -7.769
   47    HA   ALA   5           HA       ALA   5   8.907   0.969  -9.082
   48   1HB   ALA   5          1HB       ALA   5  10.261  -0.751 -10.208
   49   2HB   ALA   5          2HB       ALA   5   8.874  -1.873 -10.161
   50   3HB   ALA   5          3HB       ALA   5   8.770  -0.368 -11.094
   51    H    ILE   6           H        ILE   6   7.185  -1.901  -7.842
   52    HA   ILE   6           HA       ILE   6   4.651  -1.171  -8.979
   53    HB   ILE   6           HB       ILE   6   5.567  -2.942  -6.734
   54   1HG1  ILE   6          1HG1      ILE   6   5.655  -3.539  -9.205
   55   2HG1  ILE   6          2HG1      ILE   6   4.872  -4.708  -8.138
   56   1HG2  ILE   6          1HG2      ILE   6   3.503  -2.120  -5.767
   57   2HG2  ILE   6          2HG2      ILE   6   2.638  -2.308  -7.301
   58   3HG2  ILE   6          3HG2      ILE   6   3.207  -3.736  -6.408
   59   1HD1  ILE   6          1HD1      ILE   6   2.683  -4.115  -8.898
   60   2HD1  ILE   6          2HD1      ILE   6   3.259  -2.663  -9.741
   61   3HD1  ILE   6          3HD1      ILE   6   3.682  -4.260 -10.348
   62    H    TYR   7           H        TYR   7   5.997  -0.413  -5.640
   63    HA   TYR   7           HA       TYR   7   3.630   1.187  -5.203
   64   1HB   TYR   7          1HB       TYR   7   4.310   1.690  -3.131
   65   2HB   TYR   7          2HB       TYR   7   5.242   0.231  -3.391
   66    HD1  TYR   7           HD1      TYR   7   5.373   3.979  -3.282
   67    HD2  TYR   7           HD2      TYR   7   7.625   0.313  -3.246
   68    HE1  TYR   7           HE1      TYR   7   7.495   5.276  -3.152
   69    HE2  TYR   7           HE2      TYR   7   9.747   1.637  -3.182
   70    HH   TYR   7           HH       TYR   7  10.668   3.723  -3.463
   71    H    ASN   8           H        ASN   8   6.879   1.990  -6.341
   72    HA   ASN   8           HA       ASN   8   6.528   4.799  -6.390
   73   1HB   ASN   8          1HB       ASN   8   8.678   3.534  -6.249
   74   2HB   ASN   8          2HB       ASN   8   8.474   3.068  -7.950
   75   1HD2  ASN   8          1HD2      ASN   8  10.389   4.104  -8.627
   76   2HD2  ASN   8          2HD2      ASN   8  10.497   5.862  -8.639
   77    H    LYS   9           H        LYS   9   5.635   2.324  -8.772
   78    HA   LYS   9           HA       LYS   9   4.840   4.418 -10.700
   79   1HB   LYS   9          1HB       LYS   9   5.828   2.184 -11.330
   80   2HB   LYS   9          2HB       LYS   9   4.297   1.447 -10.849
   81   1HG   LYS   9          1HG       LYS   9   3.701   3.693 -12.591
   82   2HG   LYS   9          2HG       LYS   9   5.086   2.866 -13.277
   83   1HD   LYS   9          1HD       LYS   9   3.081   1.976 -14.241
   84   2HD   LYS   9          2HD       LYS   9   3.833   0.713 -13.250
   85   1HE   LYS   9          1HE       LYS   9   2.146   0.798 -11.602
   86   2HE   LYS   9          2HE       LYS   9   1.764   2.490 -11.937
   87   1HZ   LYS   9          1HZ       LYS   9   0.664   1.924 -13.896
   88   2HZ   LYS   9          2HZ       LYS   9   1.019   0.326 -13.737
   89   3HZ   LYS   9          3HZ       LYS   9   0.019   1.066 -12.653
   90    H    ALA  10           H        ALA  10   3.300   2.508  -8.122
   91    HA   ALA  10           HA       ALA  10   0.575   3.208  -9.196
   92   1HB   ALA  10          1HB       ALA  10   1.107   0.786  -9.097
   93   2HB   ALA  10          2HB       ALA  10   1.274   0.917  -7.334
   94   3HB   ALA  10          3HB       ALA  10  -0.278   1.268  -8.100
   95    H    CYS  11           H        CYS  11   2.006   2.516  -5.960
   96    HA   CYS  11           HA       CYS  11   0.065   4.225  -4.618
   97   1HB   CYS  11          1HB       CYS  11   2.474   3.208  -3.228
   98   2HB   CYS  11          2HB       CYS  11   0.807   3.272  -2.674
   99    H    THR  12           H        THR  12   1.409   5.707  -6.510
  100    HA   THR  12           HA       THR  12   3.480   7.344  -5.086
  101    HB   THR  12           HB       THR  12   4.291   5.770  -6.890
  102    HG1  THR  12           HG1      THR  12   4.491   8.525  -7.410
  103   1HG2  THR  12          1HG2      THR  12   2.319   6.005  -8.443
  104   2HG2  THR  12          2HG2      THR  12   2.771   7.691  -8.750
  105   3HG2  THR  12          3HG2      THR  12   3.844   6.400  -9.247
  106    H    VAL  13           H        VAL  13   0.436   7.591  -6.008
  107    HA   VAL  13           HA       VAL  13   0.653  10.323  -7.199
  108    HB   VAL  13           HB       VAL  13  -1.669   8.352  -7.055
  109   1HG1  VAL  13          1HG1      VAL  13  -2.339  10.703  -7.305
  110   2HG1  VAL  13          2HG1      VAL  13  -1.178  10.892  -8.643
  111   3HG1  VAL  13          3HG1      VAL  13  -2.595   9.823  -8.828
  112   1HG2  VAL  13          1HG2      VAL  13   0.309   8.894  -9.311
  113   2HG2  VAL  13          2HG2      VAL  13   0.079   7.356  -8.451
  114   3HG2  VAL  13          3HG2      VAL  13  -1.204   7.981  -9.484
  115    H    CYS  14           H        CYS  14  -1.064   8.412  -4.785
  116    HA   CYS  14           HA       CYS  14  -1.973  10.720  -3.212
  117   1HB   CYS  14          1HB       CYS  14  -2.307   7.732  -3.289
  118   2HB   CYS  14          2HB       CYS  14  -2.901   8.666  -1.917
  119    H    HIS  15           H        HIS  15  -0.244   7.700  -2.446
  120    HA   HIS  15           HA       HIS  15   0.336   8.506   0.220
  121   1HB   HIS  15          1HB       HIS  15   1.246   6.237  -1.585
  122   2HB   HIS  15          2HB       HIS  15   1.793   6.390   0.076
  123    HD1  HIS  15           HD1      HIS  15   0.411   5.344   1.788
  124    HD2  HIS  15           HD2      HIS  15  -1.571   5.923  -1.833
  125    HE1  HIS  15           HE1      HIS  15  -1.596   3.769   1.843
  126    H    SER  16           H        SER  16   2.160   8.925  -2.671
  127    HA   SER  16           HA       SER  16   4.821   9.033  -1.676
  128   1HB   SER  16          1HB       SER  16   3.458   9.614  -4.153
  129   2HB   SER  16          2HB       SER  16   4.528  10.967  -3.807
  130    HG   SER  16           HG       SER  16   5.503   9.112  -4.943
  131    H    MET  17           H        MET  17   2.462  11.667  -2.183
  132    HA   MET  17           HA       MET  17   4.080  13.520  -0.470
  133   1HB   MET  17          1HB       MET  17   1.924  13.953  -2.556
  134   2HB   MET  17          2HB       MET  17   2.604  15.242  -1.552
  135   1HG   MET  17          1HG       MET  17   4.224  13.523  -3.494
  136   2HG   MET  17          2HG       MET  17   3.569  15.120  -3.809
  137   1HE   MET  17          1HE       MET  17   6.229  13.173  -1.597
  138   2HE   MET  17          2HE       MET  17   6.718  13.434  -3.292
  139   3HE   MET  17          3HE       MET  17   7.570  14.271  -1.975
  140    H    GLY  18           H        GLY  18   1.060  11.708  -0.549
  141   1HA   GLY  18          1HA       GLY  18  -0.342  11.348   1.292
  142   2HA   GLY  18          2HA       GLY  18   0.284  12.769   2.126
  143    H    VAL  19           H        VAL  19  -1.183  12.175  -1.090
  144    HA   VAL  19           HA       VAL  19  -2.969  14.536  -0.789
  145    HB   VAL  19           HB       VAL  19  -2.173  12.906  -3.235
  146   1HG1  VAL  19          1HG1      VAL  19  -4.390  13.794  -3.668
  147   2HG1  VAL  19          2HG1      VAL  19  -3.926  15.386  -3.007
  148   3HG1  VAL  19          3HG1      VAL  19  -3.214  14.788  -4.516
  149   1HG2  VAL  19          1HG2      VAL  19  -1.415  15.716  -2.338
  150   2HG2  VAL  19          2HG2      VAL  19  -0.343  14.302  -2.345
  151   3HG2  VAL  19          3HG2      VAL  19  -0.948  14.949  -3.872
  152    H    ALA  20           H        ALA  20  -5.197  14.248  -1.590
  153    HA   ALA  20           HA       ALA  20  -7.275  13.390  -1.217
  154   1HB   ALA  20          1HB       ALA  20  -6.611  11.914  -3.056
  155   2HB   ALA  20          2HB       ALA  20  -6.004  10.723  -1.890
  156   3HB   ALA  20          3HB       ALA  20  -7.732  11.116  -1.936
  157    H    GLY  21           H        GLY  21  -5.221  13.399   1.038
  158   1HA   GLY  21          1HA       GLY  21  -5.377  13.092   3.336
  159   2HA   GLY  21          2HA       GLY  21  -6.850  12.138   3.131
  160    H    ALA  22           H        ALA  22  -4.101  11.177   1.153
  161    HA   ALA  22           HA       ALA  22  -4.238   8.609   2.264
  162   1HB   ALA  22          1HB       ALA  22  -3.794   9.037  -0.044
  163   2HB   ALA  22          2HB       ALA  22  -2.235   9.807   0.328
  164   3HB   ALA  22          3HB       ALA  22  -2.461   8.069   0.604
  165    HA   PRO  23           HA       PRO  23  -1.247   8.621   5.579
  166   1HB   PRO  23          1HB       PRO  23  -0.844   6.024   5.918
  167   2HB   PRO  23          2HB       PRO  23  -2.478   6.712   6.110
  168   1HG   PRO  23          1HG       PRO  23  -1.377   5.381   3.625
  169   2HG   PRO  23          2HG       PRO  23  -2.884   4.970   4.477
  170   1HD   PRO  23          1HD       PRO  23  -2.856   6.631   2.341
  171   2HD   PRO  23          2HD       PRO  23  -3.909   6.976   3.741
  172    H    LYS  24           H        LYS  24   0.932   8.665   5.867
  173    HA   LYS  24           HA       LYS  24   2.276   9.278   3.443
  174   1HB   LYS  24          1HB       LYS  24   2.465  10.216   5.857
  175   2HB   LYS  24          2HB       LYS  24   3.742   9.020   6.079
  176   1HG   LYS  24          1HG       LYS  24   5.186  10.084   4.596
  177   2HG   LYS  24          2HG       LYS  24   3.895  10.847   3.663
  178   1HD   LYS  24          1HD       LYS  24   4.678  11.623   6.514
  179   2HD   LYS  24          2HD       LYS  24   5.204  12.440   5.046
  180   1HE   LYS  24          1HE       LYS  24   3.403  13.779   5.196
  181   2HE   LYS  24          2HE       LYS  24   2.439  12.402   4.671
  182   1HZ   LYS  24          1HZ       LYS  24   2.145  11.834   7.015
  183   2HZ   LYS  24          2HZ       LYS  24   2.996  13.172   7.466
  184   3HZ   LYS  24          3HZ       LYS  24   1.563  13.333   6.676
  185    H    SER  25           H        SER  25   3.896   8.337   2.259
  186    HA   SER  25           HA       SER  25   4.228   5.598   2.093
  187   1HB   SER  25          1HB       SER  25   6.235   6.148   0.729
  188   2HB   SER  25          2HB       SER  25   4.825   7.144   0.320
  189    HG   SER  25           HG       SER  25   6.699   8.455   0.598
  190    H    HIS  26           H        HIS  26   5.989   7.818   4.202
  191    HA   HIS  26           HA       HIS  26   7.087   5.486   5.636
  192   1HB   HIS  26          1HB       HIS  26   9.233   6.332   5.892
  193   2HB   HIS  26          2HB       HIS  26   8.892   6.407   4.166
  194    HD1  HIS  26           HD1      HIS  26  10.634   8.350   6.555
  195    HD2  HIS  26           HD2      HIS  26   7.652   9.227   3.717
  196    HE1  HIS  26           HE1      HIS  26  10.726  10.867   6.147
  197    H    ASN  27           H        ASN  27   6.120   5.538   7.524
  198    HA   ASN  27           HA       ASN  27   6.282   7.854   9.263
  199   1HB   ASN  27          1HB       ASN  27   3.797   7.107   7.810
  200   2HB   ASN  27          2HB       ASN  27   3.610   6.875   9.550
  201   1HD2  ASN  27          1HD2      ASN  27   2.062   8.783   8.034
  202   2HD2  ASN  27          2HD2      ASN  27   2.534  10.275   8.842
  203    H    THR  28           H        THR  28   5.677   7.183  11.513
  204    HA   THR  28           HA       THR  28   5.789   4.178  11.893
  205    HB   THR  28           HB       THR  28   6.449   6.402  13.857
  206    HG1  THR  28           HG1      THR  28   8.119   4.655  12.373
  207   1HG2  THR  28          1HG2      THR  28   5.762   4.332  15.015
  208   2HG2  THR  28          2HG2      THR  28   6.849   3.376  13.981
  209   3HG2  THR  28          3HG2      THR  28   7.516   4.554  15.128
  210    H    ALA  29           H        ALA  29   4.017   7.156  12.874
  211    HA   ALA  29           HA       ALA  29   2.172   5.697  14.564
  212   1HB   ALA  29          1HB       ALA  29   2.891   7.990  15.015
  213   2HB   ALA  29          2HB       ALA  29   2.106   8.545  13.517
  214   3HB   ALA  29          3HB       ALA  29   1.128   7.881  14.846
  215    H    ASP  30           H        ASP  30   2.220   6.487  11.223
  216    HA   ASP  30           HA       ASP  30  -0.626   6.271  10.644
  217   1HB   ASP  30          1HB       ASP  30   1.495   7.518   9.584
  218   2HB   ASP  30          2HB       ASP  30   1.585   6.051   8.569
  219    H    TRP  31           H        TRP  31   2.210   4.245  10.788
  220    HA   TRP  31           HA       TRP  31   0.968   1.869   9.557
  221   1HB   TRP  31          1HB       TRP  31   3.780   2.525  10.463
  222   2HB   TRP  31          2HB       TRP  31   3.287   0.993   9.733
  223    HD1  TRP  31           HD1      TRP  31   3.552   4.741   8.785
  224    HE1  TRP  31           HE1      TRP  31   3.761   5.037   6.292
  225    HE3  TRP  31           HE3      TRP  31   3.240  -0.182   7.423
  226    HZ2  TRP  31           HZ2      TRP  31   3.655   3.371   3.955
  227    HZ3  TRP  31           HZ3      TRP  31   3.100  -0.726   4.951
  228    HH2  TRP  31           HH2      TRP  31   3.312   1.013   3.305
  229    H    GLU  32           H        GLU  32   2.148   2.969  12.791
  230    HA   GLU  32           HA       GLU  32   2.000   0.704  14.244
  231   1HB   GLU  32          1HB       GLU  32   2.236   3.340  14.859
  232   2HB   GLU  32          2HB       GLU  32   0.663   3.058  15.547
  233   1HG   GLU  32          1HG       GLU  32   2.652   0.968  16.302
  234   2HG   GLU  32          2HG       GLU  32   3.124   2.609  16.734
  235    HA   PRO  33           HA       PRO  33  -2.724   0.696  15.061
  236   1HB   PRO  33          1HB       PRO  33  -4.462   2.116  13.501
  237   2HB   PRO  33          2HB       PRO  33  -3.617   2.824  14.906
  238   1HG   PRO  33          1HG       PRO  33  -2.767   2.989  11.993
  239   2HG   PRO  33          2HG       PRO  33  -2.971   4.338  13.149
  240   1HD   PRO  33          1HD       PRO  33  -0.567   3.271  12.711
  241   2HD   PRO  33          2HD       PRO  33  -1.064   3.705  14.372
  242    H    ARG  34           H        ARG  34  -1.139   0.344  12.056
  243    HA   ARG  34           HA       ARG  34  -3.197  -1.469  10.925
  244   1HB   ARG  34          1HB       ARG  34  -0.578  -0.376   9.794
  245   2HB   ARG  34          2HB       ARG  34  -1.744  -1.338   8.904
  246   1HG   ARG  34          1HG       ARG  34  -2.322   1.404  10.136
  247   2HG   ARG  34          2HG       ARG  34  -1.892   1.121   8.472
  248   1HD   ARG  34          1HD       ARG  34  -3.942   0.575   7.892
  249   2HD   ARG  34          2HD       ARG  34  -4.058  -0.682   9.133
  250    HE   ARG  34           HE       ARG  34  -4.422   2.084  10.061
  251   1HH1  ARG  34          2HH1      ARG  34  -6.123  -0.116   8.165
  252   2HH1  ARG  34          1HH1      ARG  34  -7.675   0.187   8.814
  253   1HH2  ARG  34          1HH2      ARG  34  -6.458   2.693  10.862
  254   2HH2  ARG  34          2HH2      ARG  34  -7.876   1.867  10.286
  255    H    LEU  35           H        LEU  35   0.231  -1.406  11.862
  256    HA   LEU  35           HA       LEU  35   0.651  -4.266  11.988
  257   1HB   LEU  35          1HB       LEU  35   2.030  -1.743  12.889
  258   2HB   LEU  35          2HB       LEU  35   2.552  -3.228  13.654
  259    HG   LEU  35           HG       LEU  35   2.252  -3.453  10.721
  260   1HD1  LEU  35          1HD1      LEU  35   3.184  -1.138  10.981
  261   2HD1  LEU  35          2HD1      LEU  35   4.548  -1.817  11.891
  262   3HD1  LEU  35          3HD1      LEU  35   4.299  -2.240  10.181
  263   1HD2  LEU  35          1HD2      LEU  35   4.572  -4.211  12.514
  264   2HD2  LEU  35          2HD2      LEU  35   3.104  -5.199  12.358
  265   3HD2  LEU  35          3HD2      LEU  35   4.104  -4.905  10.939
  266    H    ALA  36           H        ALA  36  -1.703  -2.968  13.653
  267    HA   ALA  36           HA       ALA  36  -1.008  -3.986  16.353
  268   1HB   ALA  36          1HB       ALA  36  -2.066  -1.776  16.210
  269   2HB   ALA  36          2HB       ALA  36  -3.434  -2.463  15.307
  270   3HB   ALA  36          3HB       ALA  36  -3.147  -2.946  16.996
  271    H    LYS  37           H        LYS  37  -3.084  -4.461  13.535
  272    HA   LYS  37           HA       LYS  37  -4.283  -6.935  14.663
  273   1HB   LYS  37          1HB       LYS  37  -4.878  -5.234  12.224
  274   2HB   LYS  37          2HB       LYS  37  -5.661  -6.797  12.537
  275   1HG   LYS  37          1HG       LYS  37  -6.611  -6.045  14.604
  276   2HG   LYS  37          2HG       LYS  37  -5.647  -4.560  14.601
  277   1HD   LYS  37          1HD       LYS  37  -6.809  -3.781  12.560
  278   2HD   LYS  37          2HD       LYS  37  -7.820  -5.246  12.575
  279   1HE   LYS  37          1HE       LYS  37  -8.691  -4.631  14.826
  280   2HE   LYS  37          2HE       LYS  37  -7.633  -3.213  14.868
  281   1HZ   LYS  37          1HZ       LYS  37  -8.828  -2.334  12.975
  282   2HZ   LYS  37          2HZ       LYS  37  -9.827  -3.642  12.943
  283   3HZ   LYS  37          3HZ       LYS  37  -9.854  -2.614  14.227
  284    H    GLY  38           H        GLY  38  -2.159  -5.816  11.983
  285   1HA   GLY  38          1HA       GLY  38  -0.421  -7.912  11.867
  286   2HA   GLY  38          2HA       GLY  38  -1.804  -8.546  10.962
  287    H    VAL  39           H        VAL  39  -0.891  -8.541   8.920
  288    HA   VAL  39           HA       VAL  39  -0.106  -5.885   7.748
  289    HB   VAL  39           HB       VAL  39   1.188  -8.583   7.164
  290   1HG1  VAL  39          1HG1      VAL  39   1.235  -6.919   5.307
  291   2HG1  VAL  39          2HG1      VAL  39   1.966  -5.736   6.405
  292   3HG1  VAL  39          3HG1      VAL  39   2.849  -7.214   5.984
  293   1HG2  VAL  39          1HG2      VAL  39   2.030  -6.323   9.012
  294   2HG2  VAL  39          2HG2      VAL  39   1.856  -8.042   9.400
  295   3HG2  VAL  39          3HG2      VAL  39   3.179  -7.509   8.356
  296    H    ASP  40           H        ASP  40  -0.825  -9.240   6.621
  297    HA   ASP  40           HA       ASP  40  -1.875  -8.812   4.206
  298   1HB   ASP  40          1HB       ASP  40  -2.846 -10.724   6.378
  299   2HB   ASP  40          2HB       ASP  40  -3.095 -10.929   4.633
  300    H    ASN  41           H        ASN  41  -3.583  -8.137   7.183
  301    HA   ASN  41           HA       ASN  41  -6.207  -7.685   6.358
  302   1HB   ASN  41          1HB       ASN  41  -4.808  -5.702   8.161
  303   2HB   ASN  41          2HB       ASN  41  -6.451  -6.277   8.321
  304   1HD2  ASN  41          1HD2      ASN  41  -3.926  -6.213  10.098
  305   2HD2  ASN  41          2HD2      ASN  41  -3.905  -7.836  10.760
  306    H    LEU  42           H        LEU  42  -3.418  -5.790   5.551
  307    HA   LEU  42           HA       LEU  42  -5.004  -3.584   4.370
  308   1HB   LEU  42          1HB       LEU  42  -2.055  -4.079   4.850
  309   2HB   LEU  42          2HB       LEU  42  -2.686  -2.678   4.027
  310    HG   LEU  42           HG       LEU  42  -2.447  -1.817   6.157
  311   1HD1  LEU  42          1HD1      LEU  42  -4.869  -1.617   5.479
  312   2HD1  LEU  42          2HD1      LEU  42  -5.219  -3.009   6.536
  313   3HD1  LEU  42          3HD1      LEU  42  -4.577  -1.525   7.209
  314   1HD2  LEU  42          1HD2      LEU  42  -3.168  -4.516   7.330
  315   2HD2  LEU  42          2HD2      LEU  42  -1.595  -3.723   7.302
  316   3HD2  LEU  42          3HD2      LEU  42  -2.924  -3.060   8.274
  317    H    VAL  43           H        VAL  43  -2.623  -6.042   3.288
  318    HA   VAL  43           HA       VAL  43  -2.772  -5.497   0.615
  319    HB   VAL  43           HB       VAL  43  -1.348  -7.290   1.882
  320   1HG1  VAL  43          1HG1      VAL  43  -3.302  -8.905   2.153
  321   2HG1  VAL  43          2HG1      VAL  43  -3.365  -9.039   0.387
  322   3HG1  VAL  43          3HG1      VAL  43  -1.940  -9.578   1.268
  323   1HG2  VAL  43          1HG2      VAL  43  -2.135  -7.417  -1.070
  324   2HG2  VAL  43          2HG2      VAL  43  -0.854  -6.417  -0.369
  325   3HG2  VAL  43          3HG2      VAL  43  -0.696  -8.171  -0.381
  326    H    LYS  44           H        LYS  44  -5.120  -7.332   2.593
  327    HA   LYS  44           HA       LYS  44  -6.839  -7.951   0.347
  328   1HB   LYS  44          1HB       LYS  44  -8.666  -8.202   2.033
  329   2HB   LYS  44          2HB       LYS  44  -7.272  -9.269   2.187
  330   1HG   LYS  44          1HG       LYS  44  -6.643  -8.468   4.156
  331   2HG   LYS  44          2HG       LYS  44  -6.960  -6.785   3.717
  332   1HD   LYS  44          1HD       LYS  44  -9.156  -8.749   4.408
  333   2HD   LYS  44          2HD       LYS  44  -8.297  -7.786   5.628
  334   1HE   LYS  44          1HE       LYS  44  -8.990  -5.696   4.673
  335   2HE   LYS  44          2HE       LYS  44  -9.719  -6.476   3.266
  336   1HZ   LYS  44          1HZ       LYS  44 -11.337  -7.468   4.746
  337   2HZ   LYS  44          2HZ       LYS  44 -10.623  -6.789   6.061
  338   3HZ   LYS  44          3HZ       LYS  44 -11.341  -5.834   4.933
  339    H    SER  45           H        SER  45  -6.582  -5.023   2.419
  340    HA   SER  45           HA       SER  45  -9.141  -3.902   1.609
  341   1HB   SER  45          1HB       SER  45  -6.704  -2.551   2.862
  342   2HB   SER  45          2HB       SER  45  -8.338  -1.895   2.724
  343    HG   SER  45           HG       SER  45  -7.437  -4.018   4.383
  344    H    VAL  46           H        VAL  46  -5.740  -3.593   0.659
  345    HA   VAL  46           HA       VAL  46  -6.164  -1.562  -1.294
  346    HB   VAL  46           HB       VAL  46  -3.992  -2.046  -0.100
  347   1HG1  VAL  46          1HG1      VAL  46  -4.202  -4.414  -0.323
  348   2HG1  VAL  46          2HG1      VAL  46  -3.694  -4.392  -2.018
  349   3HG1  VAL  46          3HG1      VAL  46  -2.579  -3.829  -0.755
  350   1HG2  VAL  46          1HG2      VAL  46  -3.788  -2.334  -3.114
  351   2HG2  VAL  46          2HG2      VAL  46  -3.795  -0.774  -2.244
  352   3HG2  VAL  46          3HG2      VAL  46  -2.463  -1.921  -1.985
  353    H    LYS  47           H        LYS  47  -5.783  -5.137  -1.621
  354    HA   LYS  47           HA       LYS  47  -6.193  -5.053  -4.402
  355   1HB   LYS  47          1HB       LYS  47  -6.003  -7.280  -4.403
  356   2HB   LYS  47          2HB       LYS  47  -5.334  -6.909  -2.814
  357   1HG   LYS  47          1HG       LYS  47  -6.626  -8.878  -2.698
  358   2HG   LYS  47          2HG       LYS  47  -7.380  -7.615  -1.717
  359   1HD   LYS  47          1HD       LYS  47  -9.192  -7.398  -3.090
  360   2HD   LYS  47          2HD       LYS  47  -8.327  -7.925  -4.552
  361   1HE   LYS  47          1HE       LYS  47  -8.725 -10.190  -4.048
  362   2HE   LYS  47          2HE       LYS  47  -8.811  -9.897  -2.302
  363   1HZ   LYS  47          1HZ       LYS  47 -10.911  -8.809  -2.603
  364   2HZ   LYS  47          2HZ       LYS  47 -10.873  -9.039  -4.228
  365   3HZ   LYS  47          3HZ       LYS  47 -10.998 -10.337  -3.219
  366    H    THR  48           H        THR  48  -8.459  -5.105  -1.718
  367    HA   THR  48           HA       THR  48 -10.846  -5.363  -3.349
  368    HB   THR  48           HB       THR  48 -10.348  -4.488  -0.505
  369    HG1  THR  48           HG1      THR  48 -11.410  -6.481  -0.189
  370   1HG2  THR  48          1HG2      THR  48 -12.344  -3.248  -1.121
  371   2HG2  THR  48          2HG2      THR  48 -13.031  -4.679  -1.924
  372   3HG2  THR  48          3HG2      THR  48 -12.813  -4.651  -0.161
  373    H    GLY  49           H        GLY  49  -8.955  -2.487  -2.338
  374   1HA   GLY  49          1HA       GLY  49  -9.116  -0.369  -3.347
  375   2HA   GLY  49          2HA       GLY  49 -10.722  -0.717  -3.989
  376    H    LEU  50           H        LEU  50  -9.117   0.873  -1.616
  377    HA   LEU  50           HA       LEU  50 -11.317   1.035   0.320
  378   1HB   LEU  50          1HB       LEU  50  -8.651   1.528   0.477
  379   2HB   LEU  50          2HB       LEU  50  -9.194   3.120   0.023
  380    HG   LEU  50           HG       LEU  50 -10.948   2.648   2.066
  381   1HD1  LEU  50          1HD1      LEU  50 -10.152   0.302   2.384
  382   2HD1  LEU  50          2HD1      LEU  50  -8.526   0.919   2.751
  383   3HD1  LEU  50          3HD1      LEU  50  -9.883   1.303   3.825
  384   1HD2  LEU  50          1HD2      LEU  50  -8.018   3.375   2.415
  385   2HD2  LEU  50          2HD2      LEU  50  -9.341   4.485   1.985
  386   3HD2  LEU  50          3HD2      LEU  50  -9.308   3.719   3.588
  387    H    ASN  51           H        ASN  51 -11.736   3.762   0.583
  388    HA   ASN  51           HA       ASN  51 -13.726   4.174  -1.402
  389   1HB   ASN  51          1HB       ASN  51 -12.578   6.313   0.467
  390   2HB   ASN  51          2HB       ASN  51 -14.171   6.289  -0.287
  391   1HD2  ASN  51          1HD2      ASN  51 -12.071   5.009   2.234
  392   2HD2  ASN  51          2HD2      ASN  51 -13.140   3.729   2.752
  393    H    ALA  52           H        ALA  52 -10.863   6.077  -0.729
  394    HA   ALA  52           HA       ALA  52 -10.831   7.506  -3.275
  395   1HB   ALA  52          1HB       ALA  52 -10.191   8.515  -1.114
  396   2HB   ALA  52          2HB       ALA  52  -8.911   7.295  -0.940
  397   3HB   ALA  52          3HB       ALA  52  -8.805   8.522  -2.232
  398    H    MET  53           H        MET  53 -10.059   4.339  -2.579
  399    HA   MET  53           HA       MET  53  -7.679   4.332  -4.409
  400   1HB   MET  53          1HB       MET  53  -8.498   2.676  -2.084
  401   2HB   MET  53          2HB       MET  53  -7.588   1.871  -3.378
  402   1HG   MET  53          1HG       MET  53  -5.780   3.349  -3.197
  403   2HG   MET  53          2HG       MET  53  -6.696   4.508  -2.208
  404   1HE   MET  53          1HE       MET  53  -6.465   0.564  -1.631
  405   2HE   MET  53          2HE       MET  53  -4.947   1.109  -2.376
  406   3HE   MET  53          3HE       MET  53  -4.959   0.520  -0.684
  407    HA   PRO  54           HA       PRO  54 -10.271   2.196  -7.358
  408   1HB   PRO  54          1HB       PRO  54  -8.389   1.178  -9.084
  409   2HB   PRO  54          2HB       PRO  54  -8.822   2.911  -9.003
  410   1HG   PRO  54          1HG       PRO  54  -6.513   1.517  -7.648
  411   2HG   PRO  54          2HG       PRO  54  -6.461   3.026  -8.607
  412   1HD   PRO  54          1HD       PRO  54  -6.553   2.955  -5.873
  413   2HD   PRO  54          2HD       PRO  54  -7.371   4.254  -6.797
  414    HA   PRO  55           HA       PRO  55 -10.352  -1.929  -5.668
  415   1HB   PRO  55          1HB       PRO  55 -11.780  -3.321  -7.505
  416   2HB   PRO  55          2HB       PRO  55 -12.499  -2.039  -6.490
  417   1HG   PRO  55          1HG       PRO  55 -11.453  -1.769  -9.323
  418   2HG   PRO  55          2HG       PRO  55 -13.040  -1.240  -8.694
  419   1HD   PRO  55          1HD       PRO  55 -10.956   0.486  -8.919
  420   2HD   PRO  55          2HD       PRO  55 -12.055   0.574  -7.508
  421    H    GLY  56           H        GLY  56  -8.331  -2.758  -5.486
  422   1HA   GLY  56          1HA       GLY  56  -6.935  -4.607  -6.319
  423   2HA   GLY  56          2HA       GLY  56  -7.185  -4.048  -7.932
  424    H    GLY  57           H        GLY  57  -6.561  -1.646  -5.419
  425   1HA   GLY  57          1HA       GLY  57  -4.854  -0.121  -5.197
  426   2HA   GLY  57          2HA       GLY  57  -3.819  -1.547  -5.255
  427    H    MET  58           H        MET  58  -5.727  -0.386  -7.956
  428    HA   MET  58           HA       MET  58  -5.268   0.256 -10.039
  429   1HB   MET  58          1HB       MET  58  -4.188   2.201  -8.600
  430   2HB   MET  58          2HB       MET  58  -2.670   1.550  -9.225
  431   1HG   MET  58          1HG       MET  58  -3.721   1.695 -11.552
  432   2HG   MET  58          2HG       MET  58  -5.054   2.586 -10.833
  433   1HE   MET  58          1HE       MET  58  -5.126   5.030 -11.239
  434   2HE   MET  58          2HE       MET  58  -4.592   4.989  -9.535
  435   3HE   MET  58          3HE       MET  58  -3.825   6.108 -10.690
  436    H    CYS  59           H        CYS  59  -4.321  -2.305  -9.105
  437    HA   CYS  59           HA       CYS  59  -2.092  -2.932 -10.988
  438   1HB   CYS  59          1HB       CYS  59  -2.527  -3.409  -8.189
  439   2HB   CYS  59          2HB       CYS  59  -2.584  -4.970  -8.986
  440    H    THR  60           H        THR  60  -2.343  -5.532 -11.406
  441    HA   THR  60           HA       THR  60  -5.122  -6.267 -12.033
  442    HB   THR  60           HB       THR  60  -4.872  -5.085 -13.973
  443    HG1  THR  60           HG1      THR  60  -3.937  -7.549 -14.971
  444   1HG2  THR  60          1HG2      THR  60  -2.397  -4.643 -13.984
  445   2HG2  THR  60          2HG2      THR  60  -2.154  -6.259 -14.673
  446   3HG2  THR  60          3HG2      THR  60  -3.104  -5.073 -15.552
  447    H    ASP  61           H        ASP  61  -1.915  -7.377 -13.155
  448    HA   ASP  61           HA       ASP  61  -2.562 -10.102 -12.208
  449   1HB   ASP  61          1HB       ASP  61  -0.493  -9.011 -14.161
  450   2HB   ASP  61          2HB       ASP  61  -0.894 -10.713 -13.876
  451    H    CYS  62           H        CYS  62  -1.795  -8.085 -10.285
  452    HA   CYS  62           HA       CYS  62   1.054  -8.443  -9.655
  453   1HB   CYS  62          1HB       CYS  62  -1.111  -6.805  -8.327
  454   2HB   CYS  62          2HB       CYS  62   0.619  -6.718  -7.976
  455    H    THR  63           H        THR  63   1.763 -10.171  -8.394
  456    HA   THR  63           HA       THR  63  -0.224 -11.691  -6.874
  457    HB   THR  63           HB       THR  63   1.884 -13.188  -6.643
  458    HG1  THR  63           HG1      THR  63   3.561 -12.649  -7.910
  459   1HG2  THR  63          1HG2      THR  63   0.069 -13.658  -8.286
  460   2HG2  THR  63          2HG2      THR  63   0.840 -12.540  -9.439
  461   3HG2  THR  63          3HG2      THR  63   1.678 -14.024  -8.947
  462    H    ASP  64           H        ASP  64  -0.007 -12.168  -4.662
  463    HA   ASP  64           HA       ASP  64   0.524 -10.153  -2.911
  464   1HB   ASP  64          1HB       ASP  64   0.102 -13.077  -2.770
  465   2HB   ASP  64          2HB       ASP  64   0.948 -12.403  -1.378
  466    H    GLU  65           H        GLU  65   2.980 -12.424  -4.114
  467    HA   GLU  65           HA       GLU  65   5.061 -11.824  -2.297
  468   1HB   GLU  65          1HB       GLU  65   6.553 -12.560  -4.122
  469   2HB   GLU  65          2HB       GLU  65   5.173 -13.633  -3.882
  470   1HG   GLU  65          1HG       GLU  65   4.048 -12.236  -5.803
  471   2HG   GLU  65          2HG       GLU  65   5.688 -11.707  -6.166
  472    H    ASP  66           H        ASP  66   4.241 -10.098  -5.416
  473    HA   ASP  66           HA       ASP  66   6.180  -8.017  -4.799
  474   1HB   ASP  66          1HB       ASP  66   4.063  -8.100  -6.974
  475   2HB   ASP  66          2HB       ASP  66   5.522  -7.082  -6.918
  476    H    TYR  67           H        TYR  67   2.641  -8.430  -4.450
  477    HA   TYR  67           HA       TYR  67   2.005  -5.720  -3.945
  478   1HB   TYR  67          1HB       TYR  67   0.679  -8.187  -4.117
  479   2HB   TYR  67          2HB       TYR  67   0.383  -7.716  -2.459
  480    HD1  TYR  67           HD1      TYR  67   0.113  -4.707  -2.814
  481    HD2  TYR  67           HD2      TYR  67  -1.409  -8.039  -5.104
  482    HE1  TYR  67           HE1      TYR  67  -1.707  -3.288  -3.710
  483    HE2  TYR  67           HE2      TYR  67  -3.272  -6.624  -5.917
  484    HH   TYR  67           HH       TYR  67  -3.920  -4.279  -6.168
  485    H    LYS  68           H        LYS  68   2.831  -8.349  -1.727
  486    HA   LYS  68           HA       LYS  68   2.581  -6.829   0.738
  487   1HB   LYS  68          1HB       LYS  68   3.928  -9.485   0.107
  488   2HB   LYS  68          2HB       LYS  68   3.804  -8.807   1.718
  489   1HG   LYS  68          1HG       LYS  68   1.323  -9.264   0.019
  490   2HG   LYS  68          2HG       LYS  68   2.023 -10.582   0.914
  491   1HD   LYS  68          1HD       LYS  68   1.202  -7.923   2.198
  492   2HD   LYS  68          2HD       LYS  68   0.122  -9.304   2.053
  493   1HE   LYS  68          1HE       LYS  68   2.753  -9.348   3.608
  494   2HE   LYS  68          2HE       LYS  68   1.146  -9.110   4.297
  495   1HZ   LYS  68          1HZ       LYS  68   0.487 -11.271   3.499
  496   2HZ   LYS  68          2HZ       LYS  68   1.986 -11.555   2.879
  497   3HZ   LYS  68          3HZ       LYS  68   1.719 -11.371   4.510
  498    H    ALA  69           H        ALA  69   5.328  -7.958  -1.353
  499    HA   ALA  69           HA       ALA  69   7.366  -6.743   0.075
  500   1HB   ALA  69          1HB       ALA  69   7.794  -8.250  -1.711
  501   2HB   ALA  69          2HB       ALA  69   7.105  -7.117  -2.894
  502   3HB   ALA  69          3HB       ALA  69   8.616  -6.717  -2.028
  503    H    ALA  70           H        ALA  70   5.021  -5.229  -2.113
  504    HA   ALA  70           HA       ALA  70   6.378  -2.650  -2.290
  505   1HB   ALA  70          1HB       ALA  70   4.820  -3.404  -4.013
  506   2HB   ALA  70          2HB       ALA  70   3.472  -3.339  -2.856
  507   3HB   ALA  70          3HB       ALA  70   4.316  -1.856  -3.314
  508    H    ILE  71           H        ILE  71   3.727  -3.917  -0.288
  509    HA   ILE  71           HA       ILE  71   3.402  -1.584   1.397
  510    HB   ILE  71           HB       ILE  71   2.614  -4.472   1.454
  511   1HG1  ILE  71          1HG1      ILE  71   0.441  -3.036   2.222
  512   2HG1  ILE  71          2HG1      ILE  71   1.254  -1.884   1.161
  513   1HG2  ILE  71          1HG2      ILE  71   3.400  -4.275   3.732
  514   2HG2  ILE  71          2HG2      ILE  71   2.476  -2.767   3.924
  515   3HG2  ILE  71          3HG2      ILE  71   1.647  -4.324   3.676
  516   1HD1  ILE  71          1HD1      ILE  71   1.232  -3.388  -0.681
  517   2HD1  ILE  71          2HD1      ILE  71   0.685  -4.748   0.340
  518   3HD1  ILE  71          3HD1      ILE  71  -0.394  -3.385   0.026
  519    H    GLU  72           H        GLU  72   5.586  -4.429   1.677
  520    HA   GLU  72           HA       GLU  72   6.527  -3.574   4.258
  521   1HB   GLU  72          1HB       GLU  72   7.529  -5.584   4.424
  522   2HB   GLU  72          2HB       GLU  72   6.328  -5.988   3.192
  523   1HG   GLU  72          1HG       GLU  72   8.166  -5.448   1.467
  524   2HG   GLU  72          2HG       GLU  72   9.255  -5.269   2.799
  525    H    PHE  73           H        PHE  73   7.642  -3.080   0.901
  526    HA   PHE  73           HA       PHE  73  10.203  -2.049   1.319
  527   1HB   PHE  73          1HB       PHE  73   9.112  -2.104  -0.874
  528   2HB   PHE  73          2HB       PHE  73   7.949  -0.884  -0.373
  529    HD1  PHE  73           HD1      PHE  73  11.303  -1.449  -1.670
  530    HD2  PHE  73           HD2      PHE  73   8.700   1.493   0.118
  531    HE1  PHE  73           HE1      PHE  73  12.933   0.352  -2.204
  532    HE2  PHE  73           HE2      PHE  73  10.404   3.239  -0.272
  533    HZ   PHE  73           HZ       PHE  73  12.508   2.672  -1.470
  534    H    MET  74           H        MET  74   7.109  -0.380   1.854
  535    HA   MET  74           HA       MET  74   8.260   2.070   2.848
  536   1HB   MET  74          1HB       MET  74   5.514   0.806   2.887
  537   2HB   MET  74          2HB       MET  74   5.849   2.395   3.621
  538   1HG   MET  74          1HG       MET  74   6.656   3.183   1.398
  539   2HG   MET  74          2HG       MET  74   6.274   1.622   0.671
  540   1HE   MET  74          1HE       MET  74   3.878   1.128  -0.461
  541   2HE   MET  74          2HE       MET  74   3.582   0.679   1.224
  542   3HE   MET  74          3HE       MET  74   2.405   1.688   0.371
  543    H    SER  75           H        SER  75   6.721  -0.750   4.434
  544    HA   SER  75           HA       SER  75   8.491  -0.590   6.701
  545   1HB   SER  75          1HB       SER  75   7.366   1.133   7.621
  546   2HB   SER  75          2HB       SER  75   5.848   0.750   6.848
  547    HG   SER  75           HG       SER  75   5.814   0.365   9.142
  548    H    LYS  76           H        LYS  76   5.177  -1.650   7.098
  549    HA   LYS  76           HA       LYS  76   5.154  -4.223   6.005
  550   1HB   LYS  76          1HB       LYS  76   5.458  -5.527   8.120
  551   2HB   LYS  76          2HB       LYS  76   6.916  -5.018   7.311
  552   1HG   LYS  76          1HG       LYS  76   7.016  -3.058   9.009
  553   2HG   LYS  76          2HG       LYS  76   5.724  -3.869   9.872
  554   1HD   LYS  76          1HD       LYS  76   8.393  -5.147   9.148
  555   2HD   LYS  76          2HD       LYS  76   8.104  -4.280  10.663
  556   1HE   LYS  76          1HE       LYS  76   6.327  -5.857  11.303
  557   2HE   LYS  76          2HE       LYS  76   6.503  -6.732   9.775
  558   1HZ   LYS  76          1HZ       LYS  76   8.739  -7.300  10.412
  559   2HZ   LYS  76          2HZ       LYS  76   8.608  -6.468  11.825
  560   3HZ   LYS  76          3HZ       LYS  76   7.688  -7.807  11.571
  561    H    ALA  77           H        ALA  77   3.264  -2.416   5.951
  562    HA   ALA  77           HA       ALA  77   1.094  -3.778   7.243
  563   1HB   ALA  77          1HB       ALA  77   2.057  -2.179   9.048
  564   2HB   ALA  77          2HB       ALA  77   1.197  -0.915   8.216
  565   3HB   ALA  77          3HB       ALA  77   0.317  -2.338   8.816
  566    H    LYS  78           H        LYS  78   1.123  -0.355   6.377
  567    HA   LYS  78           HA       LYS  78  -1.088  -0.884   4.549
  568   1HB   LYS  78          1HB       LYS  78  -1.543   1.585   4.767
  569   2HB   LYS  78          2HB       LYS  78  -1.665   0.634   6.236
  570   1HG   LYS  78          1HG       LYS  78  -0.180   1.956   7.299
  571   2HG   LYS  78          2HG       LYS  78   1.027   1.615   6.075
  572   1HD   LYS  78          1HD       LYS  78  -1.066   3.768   5.807
  573   2HD   LYS  78          2HD       LYS  78   0.572   4.010   6.441
  574   1HE   LYS  78          1HE       LYS  78   1.155   2.654   4.131
  575   2HE   LYS  78          2HE       LYS  78  -0.303   3.421   3.616
  576   1HZ   LYS  78          1HZ       LYS  78   0.747   5.549   3.958
  577   2HZ   LYS  78          2HZ       LYS  78   1.977   4.935   4.827
  578   3HZ   LYS  78          3HZ       LYS  78   1.879   4.607   3.249
  579    HHA  HEC  90           HHA      HEC  90  -5.862   4.187   3.458
  580    HHB  HEC  90           HHB      HEC  90  -1.517   0.025   1.015
  581    HHC  HEC  90           HHC      HEC  90  -2.032   3.045  -4.676
  582    HHD  HEC  90           HHD      HEC  90  -5.591   7.660  -1.933
  583   1HMA  HEC  90          1HMA      HEC  90  -4.099  -1.035   2.985
  584   2HMA  HEC  90          2HMA      HEC  90  -2.350  -0.777   2.828
  585   3HMA  HEC  90          3HMA      HEC  90  -3.186  -0.326   4.339
  586   1HAA  HEC  90          1HAA      HEC  90  -5.166   0.764   4.896
  587   2HAA  HEC  90          2HAA      HEC  90  -6.168   2.121   4.429
  588   1HBA  HEC  90          1HBA      HEC  90  -4.455   3.697   5.373
  589   2HBA  HEC  90          2HBA      HEC  90  -3.507   2.299   5.907
  590   1HMB  HEC  90          1HMB      HEC  90  -0.442  -1.376  -1.022
  591   2HMB  HEC  90          2HMB      HEC  90   0.846  -0.544  -1.888
  592   3HMB  HEC  90          3HMB      HEC  90   0.513  -0.116  -0.228
  593    HAB  HEC  90           HAB      HEC  90  -0.671   1.479  -4.928
  594   1HBB  HEC  90          1HBB      HEC  90  -1.622  -0.789  -4.686
  595   2HBB  HEC  90          2HBB      HEC  90  -0.038  -0.755  -5.481
  596   3HBB  HEC  90          3HBB      HEC  90  -0.170  -1.284  -3.795
  597   1HMC  HEC  90          1HMC      HEC  90  -3.932   5.149  -6.612
  598   2HMC  HEC  90          2HMC      HEC  90  -2.565   6.229  -6.221
  599   3HMC  HEC  90          3HMC      HEC  90  -2.369   4.504  -6.159
  600    HAC  HEC  90           HAC      HEC  90  -5.910   7.635  -4.249
  601   1HBC  HEC  90          1HBC      HEC  90  -5.270   6.896  -6.509
  602   2HBC  HEC  90          2HBC      HEC  90  -5.435   8.643  -6.298
  603   3HBC  HEC  90          3HBC      HEC  90  -3.822   7.958  -6.369
  604   1HMD  HEC  90          1HMD      HEC  90  -7.724   8.490   0.424
  605   2HMD  HEC  90          2HMD      HEC  90  -6.447   9.103   1.461
  606   3HMD  HEC  90          3HMD      HEC  90  -6.198   9.061  -0.282
  607   1HAD  HEC  90          1HAD      HEC  90  -7.843   5.837   2.999
  608   2HAD  HEC  90          2HAD      HEC  90  -7.686   7.568   2.835
  609   1HBD  HEC  90          1HBD      HEC  90  -6.196   7.750   4.628
  610   2HBD  HEC  90          2HBD      HEC  90  -5.675   6.061   4.543
  Start of MODEL    2
    1   1H    ALA  -3          1H        ALA  -3   2.699  -2.006 -13.520
    2   2H    ALA  -3          2H        ALA  -3   2.354  -0.646 -14.389
    3   3H    ALA  -3          3H        ALA  -3   2.062  -2.138 -15.028
    4    HA   ALA  -3           HA       ALA  -3   3.995  -1.194 -16.033
    5   1HB   ALA  -3          1HB       ALA  -3   4.836   0.222 -14.321
    6   2HB   ALA  -3          2HB       ALA  -3   5.032  -1.111 -13.166
    7   3HB   ALA  -3          3HB       ALA  -3   6.064  -1.003 -14.611
    8    H    ASP  -2           H        ASP  -2   5.362  -3.187 -13.388
    9    HA   ASP  -2           HA       ASP  -2   4.762  -5.654 -14.755
   10   1HB   ASP  -2          1HB       ASP  -2   6.732  -4.421 -16.028
   11   2HB   ASP  -2          2HB       ASP  -2   7.699  -4.864 -14.612
   12    H    LEU  -1           H        LEU  -1   4.755  -7.280 -13.272
   13    HA   LEU  -1           HA       LEU  -1   5.407  -6.667 -10.476
   14   1HB   LEU  -1          1HB       LEU  -1   3.332  -7.693 -11.402
   15   2HB   LEU  -1          2HB       LEU  -1   4.236  -9.167 -11.744
   16    HG   LEU  -1           HG       LEU  -1   2.801  -9.228  -9.780
   17   1HD1  LEU  -1          1HD1      LEU  -1   4.826 -10.670  -9.861
   18   2HD1  LEU  -1          2HD1      LEU  -1   5.677  -9.477  -8.851
   19   3HD1  LEU  -1          3HD1      LEU  -1   4.251 -10.326  -8.227
   20   1HD2  LEU  -1          1HD2      LEU  -1   4.672  -7.242  -8.444
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.087  -6.814  -9.118
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.194  -7.946  -7.759
   23    H    GLN   1           H        GLN   1   7.621  -6.421 -11.540
   24    HA   GLN   1           HA       GLN   1   9.223  -8.886 -10.980
   25   1HB   GLN   1          1HB       GLN   1   9.389  -6.654 -12.982
   26   2HB   GLN   1          2HB       GLN   1  10.924  -6.978 -12.197
   27   1HG   GLN   1          1HG       GLN   1  11.183  -9.056 -13.130
   28   2HG   GLN   1          2HG       GLN   1   9.449  -9.415 -13.145
   29   1HE2  GLN   1          1HE2      GLN   1   8.155  -8.814 -14.913
   30   2HE2  GLN   1          2HE2      GLN   1   8.782  -7.986 -16.272
   31    H    ASP   2           H        ASP   2   8.496  -5.709  -9.912
   32    HA   ASP   2           HA       ASP   2  10.198  -6.170  -7.631
   33   1HB   ASP   2          1HB       ASP   2  11.703  -4.989  -9.378
   34   2HB   ASP   2          2HB       ASP   2  10.730  -3.541  -9.053
   35    H    ALA   3           H        ALA   3   8.784  -5.917  -6.109
   36    HA   ALA   3           HA       ALA   3   6.493  -4.410  -5.980
   37   1HB   ALA   3          1HB       ALA   3   7.192  -6.077  -4.414
   38   2HB   ALA   3          2HB       ALA   3   8.458  -5.004  -3.741
   39   3HB   ALA   3          3HB       ALA   3   6.740  -4.566  -3.608
   40    H    GLU   4           H        GLU   4   9.857  -3.188  -5.603
   41    HA   GLU   4           HA       GLU   4   9.210  -0.566  -4.653
   42   1HB   GLU   4          1HB       GLU   4  11.469  -1.290  -4.637
   43   2HB   GLU   4          2HB       GLU   4  11.496  -1.584  -6.375
   44   1HG   GLU   4          1HG       GLU   4  11.474   0.687  -6.934
   45   2HG   GLU   4          2HG       GLU   4  10.810   1.188  -5.368
   46    H    ALA   5           H        ALA   5   9.358  -2.001  -7.914
   47    HA   ALA   5           HA       ALA   5   8.860   0.518  -9.303
   48   1HB   ALA   5          1HB       ALA   5  10.160  -1.290 -10.344
   49   2HB   ALA   5          2HB       ALA   5   8.737  -2.358 -10.319
   50   3HB   ALA   5          3HB       ALA   5   8.719  -0.878 -11.299
   51    H    ILE   6           H        ILE   6   6.920  -2.260  -8.192
   52    HA   ILE   6           HA       ILE   6   4.468  -1.387  -9.445
   53    HB   ILE   6           HB       ILE   6   5.063  -3.062  -6.996
   54   1HG1  ILE   6          1HG1      ILE   6   5.722  -4.040  -9.177
   55   2HG1  ILE   6          2HG1      ILE   6   4.477  -4.951  -8.332
   56   1HG2  ILE   6          1HG2      ILE   6   2.888  -2.198  -6.516
   57   2HG2  ILE   6          2HG2      ILE   6   2.328  -2.471  -8.175
   58   3HG2  ILE   6          3HG2      ILE   6   2.686  -3.846  -7.102
   59   1HD1  ILE   6          1HD1      ILE   6   2.741  -3.949  -9.850
   60   2HD1  ILE   6          2HD1      ILE   6   4.033  -3.110 -10.732
   61   3HD1  ILE   6          3HD1      ILE   6   3.966  -4.870 -10.712
   62    H    TYR   7           H        TYR   7   5.712  -0.750  -6.031
   63    HA   TYR   7           HA       TYR   7   3.407   0.912  -5.659
   64   1HB   TYR   7          1HB       TYR   7   3.995   1.200  -3.509
   65   2HB   TYR   7          2HB       TYR   7   4.981  -0.205  -3.856
   66    HD1  TYR   7           HD1      TYR   7   4.966   3.525  -3.503
   67    HD2  TYR   7           HD2      TYR   7   7.344  -0.058  -3.579
   68    HE1  TYR   7           HE1      TYR   7   7.022   4.880  -3.155
   69    HE2  TYR   7           HE2      TYR   7   9.406   1.312  -3.345
   70    HH   TYR   7           HH       TYR   7  10.260   3.376  -3.215
   71    H    ASN   8           H        ASN   8   6.722   1.642  -6.661
   72    HA   ASN   8           HA       ASN   8   6.481   4.467  -6.667
   73   1HB   ASN   8          1HB       ASN   8   8.554   3.105  -6.518
   74   2HB   ASN   8          2HB       ASN   8   8.332   2.626  -8.216
   75   1HD2  ASN   8          1HD2      ASN   8  10.414   3.483  -8.689
   76   2HD2  ASN   8          2HD2      ASN   8  10.629   5.225  -8.794
   77    H    LYS   9           H        LYS   9   5.500   2.059  -9.089
   78    HA   LYS   9           HA       LYS   9   4.742   4.210 -10.985
   79   1HB   LYS   9          1HB       LYS   9   5.652   1.927 -11.642
   80   2HB   LYS   9          2HB       LYS   9   4.093   1.280 -11.134
   81   1HG   LYS   9          1HG       LYS   9   3.498   1.618 -13.255
   82   2HG   LYS   9          2HG       LYS   9   3.209   3.271 -12.812
   83   1HD   LYS   9          1HD       LYS   9   6.008   2.499 -13.745
   84   2HD   LYS   9          2HD       LYS   9   4.690   2.552 -14.916
   85   1HE   LYS   9          1HE       LYS   9   4.193   4.942 -13.987
   86   2HE   LYS   9          2HE       LYS   9   5.811   4.847 -13.276
   87   1HZ   LYS   9          1HZ       LYS   9   6.660   4.444 -15.518
   88   2HZ   LYS   9          2HZ       LYS   9   5.140   4.511 -16.141
   89   3HZ   LYS   9          3HZ       LYS   9   5.812   5.853 -15.481
   90    H    ALA  10           H        ALA  10   3.192   2.307  -8.434
   91    HA   ALA  10           HA       ALA  10   0.457   2.994  -9.449
   92   1HB   ALA  10          1HB       ALA  10   0.997   0.601  -9.188
   93   2HB   ALA  10          2HB       ALA  10   1.326   0.858  -7.460
   94   3HB   ALA  10          3HB       ALA  10  -0.292   1.104  -8.082
   95    H    CYS  11           H        CYS  11   1.992   2.540  -6.242
   96    HA   CYS  11           HA       CYS  11   0.028   4.259  -4.910
   97   1HB   CYS  11          1HB       CYS  11   2.430   3.187  -3.532
   98   2HB   CYS  11          2HB       CYS  11   0.768   3.291  -2.964
   99    H    THR  12           H        THR  12   1.401   5.631  -6.860
  100    HA   THR  12           HA       THR  12   3.518   7.230  -5.478
  101    HB   THR  12           HB       THR  12   4.260   5.580  -7.223
  102    HG1  THR  12           HG1      THR  12   4.638   8.281  -7.871
  103   1HG2  THR  12          1HG2      THR  12   2.334   5.882  -8.809
  104   2HG2  THR  12          2HG2      THR  12   2.857   7.543  -9.136
  105   3HG2  THR  12          3HG2      THR  12   3.883   6.200  -9.604
  106    H    VAL  13           H        VAL  13   0.483   7.503  -6.369
  107    HA   VAL  13           HA       VAL  13   0.669  10.188  -7.636
  108    HB   VAL  13           HB       VAL  13  -1.678   8.256  -7.398
  109   1HG1  VAL  13          1HG1      VAL  13  -2.220  10.641  -7.829
  110   2HG1  VAL  13          2HG1      VAL  13  -1.090  10.628  -9.203
  111   3HG1  VAL  13          3HG1      VAL  13  -2.565   9.627  -9.248
  112   1HG2  VAL  13          1HG2      VAL  13   0.322   8.560  -9.673
  113   2HG2  VAL  13          2HG2      VAL  13   0.041   7.102  -8.696
  114   3HG2  VAL  13          3HG2      VAL  13  -1.221   7.686  -9.774
  115    H    CYS  14           H        CYS  14  -1.222   8.385  -5.185
  116    HA   CYS  14           HA       CYS  14  -1.994  10.786  -3.709
  117   1HB   CYS  14          1HB       CYS  14  -2.364   7.815  -3.456
  118   2HB   CYS  14          2HB       CYS  14  -2.798   8.919  -2.152
  119    H    HIS  15           H        HIS  15  -0.215   7.838  -2.845
  120    HA   HIS  15           HA       HIS  15   0.468   8.746  -0.260
  121   1HB   HIS  15          1HB       HIS  15   1.342   6.420  -2.008
  122   2HB   HIS  15          2HB       HIS  15   1.896   6.615  -0.355
  123    HD1  HIS  15           HD1      HIS  15   0.177   6.263   1.581
  124    HD2  HIS  15           HD2      HIS  15  -1.223   5.596  -2.329
  125    HE1  HIS  15           HE1      HIS  15  -1.832   4.663   1.751
  126    H    SER  16           H        SER  16   2.173   9.218  -3.212
  127    HA   SER  16           HA       SER  16   4.868   9.308  -2.242
  128   1HB   SER  16          1HB       SER  16   3.897   9.201  -4.651
  129   2HB   SER  16          2HB       SER  16   3.893  10.965  -4.600
  130    HG   SER  16           HG       SER  16   5.864   9.736  -5.370
  131    H    MET  17           H        MET  17   2.408  11.805  -2.745
  132    HA   MET  17           HA       MET  17   4.021  13.877  -1.307
  133   1HB   MET  17          1HB       MET  17   1.668  13.999  -3.214
  134   2HB   MET  17          2HB       MET  17   2.358  15.414  -2.408
  135   1HG   MET  17          1HG       MET  17   4.047  13.606  -4.191
  136   2HG   MET  17          2HG       MET  17   3.049  14.919  -4.814
  137   1HE   MET  17          1HE       MET  17   5.912  14.904  -5.709
  138   2HE   MET  17          2HE       MET  17   4.759  16.228  -6.026
  139   3HE   MET  17          3HE       MET  17   6.382  16.596  -5.401
  140    H    GLY  18           H        GLY  18   1.042  11.963  -1.124
  141   1HA   GLY  18          1HA       GLY  18  -0.208  11.598   0.825
  142   2HA   GLY  18          2HA       GLY  18   0.398  13.083   1.556
  143    H    VAL  19           H        VAL  19  -1.306  12.212  -1.493
  144    HA   VAL  19           HA       VAL  19  -3.125  14.547  -1.179
  145    HB   VAL  19           HB       VAL  19  -2.623  12.798  -3.610
  146   1HG1  VAL  19          1HG1      VAL  19  -4.795  13.818  -3.846
  147   2HG1  VAL  19          2HG1      VAL  19  -4.167  15.393  -3.289
  148   3HG1  VAL  19          3HG1      VAL  19  -3.657  14.709  -4.843
  149   1HG2  VAL  19          1HG2      VAL  19  -1.542  15.550  -2.892
  150   2HG2  VAL  19          2HG2      VAL  19  -0.599  14.049  -3.027
  151   3HG2  VAL  19          3HG2      VAL  19  -1.349  14.742  -4.464
  152    H    ALA  20           H        ALA  20  -5.382  14.197  -1.769
  153    HA   ALA  20           HA       ALA  20  -7.421  13.355  -1.242
  154   1HB   ALA  20          1HB       ALA  20  -6.884  11.841  -3.082
  155   2HB   ALA  20          2HB       ALA  20  -6.183  10.677  -1.939
  156   3HB   ALA  20          3HB       ALA  20  -7.914  11.056  -1.872
  157    H    GLY  21           H        GLY  21  -5.213  13.367   0.902
  158   1HA   GLY  21          1HA       GLY  21  -5.183  13.025   3.193
  159   2HA   GLY  21          2HA       GLY  21  -6.742  12.197   3.109
  160    H    ALA  22           H        ALA  22  -4.067  11.138   0.995
  161    HA   ALA  22           HA       ALA  22  -4.214   8.551   2.094
  162   1HB   ALA  22          1HB       ALA  22  -3.624   8.889  -0.207
  163   2HB   ALA  22          2HB       ALA  22  -2.126   9.737   0.236
  164   3HB   ALA  22          3HB       ALA  22  -2.316   8.006   0.597
  165    HA   PRO  23           HA       PRO  23  -1.307   8.691   5.490
  166   1HB   PRO  23          1HB       PRO  23  -0.772   6.061   5.774
  167   2HB   PRO  23          2HB       PRO  23  -2.412   6.724   6.081
  168   1HG   PRO  23          1HG       PRO  23  -1.362   5.550   3.542
  169   2HG   PRO  23          2HG       PRO  23  -2.810   4.961   4.440
  170   1HD   PRO  23          1HD       PRO  23  -3.067   6.669   2.383
  171   2HD   PRO  23          2HD       PRO  23  -3.988   6.992   3.883
  172    H    LYS  24           H        LYS  24   0.916   8.611   5.847
  173    HA   LYS  24           HA       LYS  24   2.351   9.168   3.368
  174   1HB   LYS  24          1HB       LYS  24   3.501   9.135   6.167
  175   2HB   LYS  24          2HB       LYS  24   4.190   9.883   4.732
  176   1HG   LYS  24          1HG       LYS  24   2.096  11.375   4.617
  177   2HG   LYS  24          2HG       LYS  24   1.634  10.699   6.179
  178   1HD   LYS  24          1HD       LYS  24   2.781  12.624   6.849
  179   2HD   LYS  24          2HD       LYS  24   4.041  11.383   6.956
  180   1HE   LYS  24          1HE       LYS  24   4.618  12.079   4.476
  181   2HE   LYS  24          2HE       LYS  24   3.579  13.477   4.774
  182   1HZ   LYS  24          1HZ       LYS  24   5.047  14.022   6.646
  183   2HZ   LYS  24          2HZ       LYS  24   6.005  12.729   6.286
  184   3HZ   LYS  24          3HZ       LYS  24   5.873  13.974   5.222
  185    H    SER  25           H        SER  25   4.089   8.151   2.430
  186    HA   SER  25           HA       SER  25   4.375   5.365   2.603
  187   1HB   SER  25          1HB       SER  25   6.369   5.727   1.180
  188   2HB   SER  25          2HB       SER  25   4.973   6.676   0.630
  189    HG   SER  25           HG       SER  25   6.939   7.930   0.770
  190    H    HIS  26           H        HIS  26   5.901   7.876   4.510
  191    HA   HIS  26           HA       HIS  26   7.169   5.762   6.159
  192   1HB   HIS  26          1HB       HIS  26   9.186   6.921   6.462
  193   2HB   HIS  26          2HB       HIS  26   8.934   6.758   4.726
  194    HD1  HIS  26           HD1      HIS  26   9.466   9.323   7.399
  195    HD2  HIS  26           HD2      HIS  26   7.897   9.155   3.505
  196    HE1  HIS  26           HE1      HIS  26   9.204  11.736   6.619
  197    H    ASN  27           H        ASN  27   5.818   5.792   7.846
  198    HA   ASN  27           HA       ASN  27   5.799   8.158   9.564
  199   1HB   ASN  27          1HB       ASN  27   3.420   7.091   8.065
  200   2HB   ASN  27          2HB       ASN  27   3.212   7.153   9.820
  201   1HD2  ASN  27          1HD2      ASN  27   1.482   8.634   8.131
  202   2HD2  ASN  27          2HD2      ASN  27   1.897  10.306   8.477
  203    H    THR  28           H        THR  28   5.370   7.493  11.785
  204    HA   THR  28           HA       THR  28   5.488   4.498  12.204
  205    HB   THR  28           HB       THR  28   7.323   5.814  13.158
  206    HG1  THR  28           HG1      THR  28   5.717   4.679  15.190
  207   1HG2  THR  28          1HG2      THR  28   6.063   7.889  13.820
  208   2HG2  THR  28          2HG2      THR  28   5.271   6.949  15.110
  209   3HG2  THR  28          3HG2      THR  28   7.023   7.177  15.124
  210    H    ALA  29           H        ALA  29   3.713   7.487  13.145
  211    HA   ALA  29           HA       ALA  29   1.857   6.074  14.800
  212   1HB   ALA  29          1HB       ALA  29   2.459   8.398  15.105
  213   2HB   ALA  29          2HB       ALA  29   1.702   8.820  13.543
  214   3HB   ALA  29          3HB       ALA  29   0.702   8.208  14.888
  215    H    ASP  30           H        ASP  30   1.921   6.555  11.398
  216    HA   ASP  30           HA       ASP  30  -0.958   6.149  10.933
  217   1HB   ASP  30          1HB       ASP  30   0.683   7.758   9.803
  218   2HB   ASP  30          2HB       ASP  30   1.341   6.334   8.949
  219    H    TRP  31           H        TRP  31   2.024   4.360  11.115
  220    HA   TRP  31           HA       TRP  31   0.882   1.936   9.822
  221   1HB   TRP  31          1HB       TRP  31   3.701   2.691  10.567
  222   2HB   TRP  31          2HB       TRP  31   3.209   1.162   9.815
  223    HD1  TRP  31           HD1      TRP  31   3.191   4.947   9.038
  224    HE1  TRP  31           HE1      TRP  31   3.288   5.374   6.513
  225    HE3  TRP  31           HE3      TRP  31   3.183   0.088   7.399
  226    HZ2  TRP  31           HZ2      TRP  31   3.249   3.859   4.138
  227    HZ3  TRP  31           HZ3      TRP  31   3.302  -0.343   4.935
  228    HH2  TRP  31           HH2      TRP  31   3.070   1.515   3.352
  229    H    GLU  32           H        GLU  32   2.006   3.195  13.007
  230    HA   GLU  32           HA       GLU  32   2.001   0.942  14.583
  231   1HB   GLU  32          1HB       GLU  32   1.270   3.816  14.966
  232   2HB   GLU  32          2HB       GLU  32   0.838   2.706  16.268
  233   1HG   GLU  32          1HG       GLU  32   3.064   2.113  16.710
  234   2HG   GLU  32          2HG       GLU  32   3.646   2.663  15.134
  235    HA   PRO  33           HA       PRO  33  -2.691   0.737  15.248
  236   1HB   PRO  33          1HB       PRO  33  -4.481   2.265  13.859
  237   2HB   PRO  33          2HB       PRO  33  -3.607   2.852  15.300
  238   1HG   PRO  33          1HG       PRO  33  -2.873   3.319  12.395
  239   2HG   PRO  33          2HG       PRO  33  -3.007   4.531  13.704
  240   1HD   PRO  33          1HD       PRO  33  -0.635   3.456  12.981
  241   2HD   PRO  33          2HD       PRO  33  -1.002   3.829  14.693
  242    H    ARG  34           H        ARG  34  -1.005   0.311  12.448
  243    HA   ARG  34           HA       ARG  34  -3.081  -1.370  11.119
  244   1HB   ARG  34          1HB       ARG  34  -0.497  -0.304   9.953
  245   2HB   ARG  34          2HB       ARG  34  -1.859  -1.004   9.088
  246   1HG   ARG  34          1HG       ARG  34  -2.018   1.634  10.658
  247   2HG   ARG  34          2HG       ARG  34  -1.541   1.534   8.986
  248   1HD   ARG  34          1HD       ARG  34  -3.641   1.101   8.194
  249   2HD   ARG  34          2HD       ARG  34  -4.092   0.174   9.621
  250    HE   ARG  34           HE       ARG  34  -5.134   1.968  10.428
  251   1HH1  ARG  34          2HH1      ARG  34  -2.299   3.548   9.050
  252   2HH1  ARG  34          1HH1      ARG  34  -3.006   5.066   8.807
  253   1HH2  ARG  34          1HH2      ARG  34  -6.005   3.999  10.476
  254   2HH2  ARG  34          2HH2      ARG  34  -5.116   5.354   9.833
  255    H    LEU  35           H        LEU  35   0.300  -1.188  12.244
  256    HA   LEU  35           HA       LEU  35   0.914  -3.999  12.058
  257   1HB   LEU  35          1HB       LEU  35   2.169  -1.478  13.025
  258   2HB   LEU  35          2HB       LEU  35   2.511  -2.800  14.095
  259    HG   LEU  35           HG       LEU  35   2.922  -3.796  11.421
  260   1HD1  LEU  35          1HD1      LEU  35   3.132  -1.304  10.898
  261   2HD1  LEU  35          2HD1      LEU  35   4.523  -1.271  12.000
  262   3HD1  LEU  35          3HD1      LEU  35   4.549  -2.287  10.544
  263   1HD2  LEU  35          1HD2      LEU  35   4.937  -3.142  13.578
  264   2HD2  LEU  35          2HD2      LEU  35   3.942  -4.618  13.501
  265   3HD2  LEU  35          3HD2      LEU  35   5.105  -4.279  12.220
  266    H    ALA  36           H        ALA  36  -1.495  -2.807  13.853
  267    HA   ALA  36           HA       ALA  36  -0.944  -4.432  16.284
  268   1HB   ALA  36          1HB       ALA  36  -1.517  -2.068  16.660
  269   2HB   ALA  36          2HB       ALA  36  -3.032  -2.285  15.757
  270   3HB   ALA  36          3HB       ALA  36  -2.771  -3.154  17.289
  271    H    LYS  37           H        LYS  37  -1.875  -5.065  13.342
  272    HA   LYS  37           HA       LYS  37  -3.968  -7.001  14.166
  273   1HB   LYS  37          1HB       LYS  37  -3.749  -5.370  11.596
  274   2HB   LYS  37          2HB       LYS  37  -4.760  -6.817  11.739
  275   1HG   LYS  37          1HG       LYS  37  -5.074  -4.231  13.314
  276   2HG   LYS  37          2HG       LYS  37  -6.074  -4.817  11.975
  277   1HD   LYS  37          1HD       LYS  37  -6.310  -6.982  13.579
  278   2HD   LYS  37          2HD       LYS  37  -5.903  -5.788  14.823
  279   1HE   LYS  37          1HE       LYS  37  -7.829  -4.374  13.546
  280   2HE   LYS  37          2HE       LYS  37  -8.314  -5.985  12.992
  281   1HZ   LYS  37          1HZ       LYS  37  -8.382  -6.628  15.366
  282   2HZ   LYS  37          2HZ       LYS  37  -8.046  -5.074  15.788
  283   3HZ   LYS  37          3HZ       LYS  37  -9.452  -5.429  15.009
  284    H    GLY  38           H        GLY  38  -1.746  -6.305  11.456
  285   1HA   GLY  38          1HA       GLY  38   0.003  -8.491  11.743
  286   2HA   GLY  38          2HA       GLY  38  -1.361  -9.057  10.759
  287    H    VAL  39           H        VAL  39  -0.843  -8.963   8.651
  288    HA   VAL  39           HA       VAL  39   0.203  -6.480   7.461
  289    HB   VAL  39           HB       VAL  39   1.734  -8.418   6.140
  290   1HG1  VAL  39          1HG1      VAL  39   2.331  -6.116   6.631
  291   2HG1  VAL  39          2HG1      VAL  39   2.508  -6.511   8.361
  292   3HG1  VAL  39          3HG1      VAL  39   3.626  -7.212   7.167
  293   1HG2  VAL  39          1HG2      VAL  39   2.173  -8.871   9.125
  294   2HG2  VAL  39          2HG2      VAL  39   1.375 -10.042   8.049
  295   3HG2  VAL  39          3HG2      VAL  39   3.060  -9.584   7.771
  296    H    ASP  40           H        ASP  40  -0.494  -9.920   6.594
  297    HA   ASP  40           HA       ASP  40  -1.532  -9.317   4.089
  298   1HB   ASP  40          1HB       ASP  40  -2.344 -11.733   5.697
  299   2HB   ASP  40          2HB       ASP  40  -2.039 -11.581   3.959
  300    H    ASN  41           H        ASN  41  -2.865  -7.710   6.179
  301    HA   ASN  41           HA       ASN  41  -5.755  -8.448   5.910
  302   1HB   ASN  41          1HB       ASN  41  -5.032  -6.114   7.587
  303   2HB   ASN  41          2HB       ASN  41  -6.084  -7.458   7.975
  304   1HD2  ASN  41          1HD2      ASN  41  -3.635  -5.896   9.218
  305   2HD2  ASN  41          2HD2      ASN  41  -2.816  -7.252   9.975
  306    H    LEU  42           H        LEU  42  -3.316  -5.843   5.607
  307    HA   LEU  42           HA       LEU  42  -5.257  -4.005   4.437
  308   1HB   LEU  42          1HB       LEU  42  -2.289  -3.696   4.951
  309   2HB   LEU  42          2HB       LEU  42  -3.437  -2.446   4.467
  310    HG   LEU  42           HG       LEU  42  -4.683  -3.666   6.700
  311   1HD1  LEU  42          1HD1      LEU  42  -2.426  -4.718   7.224
  312   2HD1  LEU  42          2HD1      LEU  42  -1.802  -3.069   7.427
  313   3HD1  LEU  42          3HD1      LEU  42  -3.082  -3.659   8.490
  314   1HD2  LEU  42          1HD2      LEU  42  -3.107  -1.093   6.559
  315   2HD2  LEU  42          2HD2      LEU  42  -4.825  -1.308   6.199
  316   3HD2  LEU  42          3HD2      LEU  42  -4.237  -1.546   7.849
  317    H    VAL  43           H        VAL  43  -2.561  -6.046   3.260
  318    HA   VAL  43           HA       VAL  43  -2.472  -5.199   0.635
  319    HB   VAL  43           HB       VAL  43  -0.914  -6.666   1.891
  320   1HG1  VAL  43          1HG1      VAL  43  -2.759  -8.407   2.384
  321   2HG1  VAL  43          2HG1      VAL  43  -2.506  -8.891   0.684
  322   3HG1  VAL  43          3HG1      VAL  43  -1.177  -9.006   1.832
  323   1HG2  VAL  43          1HG2      VAL  43  -1.775  -7.232  -0.994
  324   2HG2  VAL  43          2HG2      VAL  43  -0.529  -6.100  -0.452
  325   3HG2  VAL  43          3HG2      VAL  43  -0.281  -7.843  -0.303
  326    H    LYS  44           H        LYS  44  -4.841  -7.087   2.350
  327    HA   LYS  44           HA       LYS  44  -6.243  -8.048  -0.056
  328   1HB   LYS  44          1HB       LYS  44  -7.222  -7.997   2.808
  329   2HB   LYS  44          2HB       LYS  44  -7.897  -8.929   1.477
  330   1HG   LYS  44          1HG       LYS  44  -5.076  -9.273   2.595
  331   2HG   LYS  44          2HG       LYS  44  -6.456 -10.215   3.098
  332   1HD   LYS  44          1HD       LYS  44  -6.161 -11.654   1.455
  333   2HD   LYS  44          2HD       LYS  44  -6.371 -10.381   0.238
  334   1HE   LYS  44          1HE       LYS  44  -4.119 -10.043  -0.054
  335   2HE   LYS  44          2HE       LYS  44  -3.669 -10.650   1.565
  336   1HZ   LYS  44          1HZ       LYS  44  -3.955 -12.843   0.852
  337   2HZ   LYS  44          2HZ       LYS  44  -4.602 -12.408  -0.601
  338   3HZ   LYS  44          3HZ       LYS  44  -3.049 -12.115  -0.308
  339    H    SER  45           H        SER  45  -6.621  -5.334   2.283
  340    HA   SER  45           HA       SER  45  -9.154  -4.404   1.228
  341   1HB   SER  45          1HB       SER  45  -7.257  -3.587   3.310
  342   2HB   SER  45          2HB       SER  45  -7.817  -2.198   2.391
  343    HG   SER  45           HG       SER  45  -9.273  -2.622   4.040
  344    H    VAL  46           H        VAL  46  -5.726  -3.671   0.651
  345    HA   VAL  46           HA       VAL  46  -6.228  -1.504  -1.096
  346    HB   VAL  46           HB       VAL  46  -4.068  -1.904   0.094
  347   1HG1  VAL  46          1HG1      VAL  46  -4.087  -4.333  -0.397
  348   2HG1  VAL  46          2HG1      VAL  46  -3.492  -4.028  -2.033
  349   3HG1  VAL  46          3HG1      VAL  46  -2.506  -3.547  -0.649
  350   1HG2  VAL  46          1HG2      VAL  46  -3.732  -1.844  -2.929
  351   2HG2  VAL  46          2HG2      VAL  46  -3.774  -0.433  -1.825
  352   3HG2  VAL  46          3HG2      VAL  46  -2.457  -1.599  -1.708
  353    H    LYS  47           H        LYS  47  -5.546  -4.961  -1.773
  354    HA   LYS  47           HA       LYS  47  -5.801  -4.638  -4.562
  355   1HB   LYS  47          1HB       LYS  47  -5.311  -6.792  -4.738
  356   2HB   LYS  47          2HB       LYS  47  -4.872  -6.592  -3.060
  357   1HG   LYS  47          1HG       LYS  47  -5.999  -8.626  -3.272
  358   2HG   LYS  47          2HG       LYS  47  -7.113  -7.564  -2.399
  359   1HD   LYS  47          1HD       LYS  47  -8.562  -7.367  -4.233
  360   2HD   LYS  47          2HD       LYS  47  -7.279  -7.629  -5.411
  361   1HE   LYS  47          1HE       LYS  47  -7.936  -9.768  -5.626
  362   2HE   LYS  47          2HE       LYS  47  -7.597 -10.084  -3.922
  363   1HZ   LYS  47          1HZ       LYS  47  -9.813  -9.232  -3.412
  364   2HZ   LYS  47          2HZ       LYS  47 -10.113  -8.982  -5.006
  365   3HZ   LYS  47          3HZ       LYS  47  -9.903 -10.516  -4.448
  366    H    THR  48           H        THR  48  -8.186  -5.200  -2.027
  367    HA   THR  48           HA       THR  48 -10.452  -5.453  -3.822
  368    HB   THR  48           HB       THR  48 -10.140  -4.931  -0.866
  369    HG1  THR  48           HG1      THR  48 -10.988  -7.023  -0.839
  370   1HG2  THR  48          1HG2      THR  48 -12.209  -3.787  -1.398
  371   2HG2  THR  48          2HG2      THR  48 -12.743  -5.141  -2.424
  372   3HG2  THR  48          3HG2      THR  48 -12.593  -5.346  -0.665
  373    H    GLY  49           H        GLY  49  -8.802  -2.582  -2.448
  374   1HA   GLY  49          1HA       GLY  49  -9.054  -0.413  -3.255
  375   2HA   GLY  49          2HA       GLY  49 -10.612  -0.783  -3.999
  376    H    LEU  50           H        LEU  50  -9.246   0.815  -1.545
  377    HA   LEU  50           HA       LEU  50 -11.366   0.541   0.465
  378   1HB   LEU  50          1HB       LEU  50  -8.808   1.175   0.703
  379   2HB   LEU  50          2HB       LEU  50  -9.370   2.782   0.292
  380    HG   LEU  50           HG       LEU  50 -11.068   2.385   2.304
  381   1HD1  LEU  50          1HD1      LEU  50 -10.612  -0.026   2.605
  382   2HD1  LEU  50          2HD1      LEU  50  -8.906   0.331   2.915
  383   3HD1  LEU  50          3HD1      LEU  50 -10.147   0.900   4.043
  384   1HD2  LEU  50          1HD2      LEU  50  -8.065   2.775   2.584
  385   2HD2  LEU  50          2HD2      LEU  50  -9.268   4.025   2.268
  386   3HD2  LEU  50          3HD2      LEU  50  -9.254   3.209   3.845
  387    H    ASN  51           H        ASN  51 -11.465   3.623   0.788
  388    HA   ASN  51           HA       ASN  51 -13.859   3.932  -0.867
  389   1HB   ASN  51          1HB       ASN  51 -12.634   6.065   0.931
  390   2HB   ASN  51          2HB       ASN  51 -14.306   5.879   0.405
  391   1HD2  ASN  51          1HD2      ASN  51 -11.866   5.036   2.740
  392   2HD2  ASN  51          2HD2      ASN  51 -12.694   3.670   3.451
  393    H    ALA  52           H        ALA  52 -11.072   6.058  -0.364
  394    HA   ALA  52           HA       ALA  52 -11.295   7.390  -2.948
  395   1HB   ALA  52          1HB       ALA  52 -10.568   8.561  -0.936
  396   2HB   ALA  52          2HB       ALA  52  -9.243   7.405  -0.719
  397   3HB   ALA  52          3HB       ALA  52  -9.230   8.530  -2.107
  398    H    MET  53           H        MET  53 -10.035   4.362  -2.034
  399    HA   MET  53           HA       MET  53  -7.893   4.411  -4.096
  400   1HB   MET  53          1HB       MET  53  -8.458   2.859  -1.664
  401   2HB   MET  53          2HB       MET  53  -7.849   1.877  -3.000
  402   1HG   MET  53          1HG       MET  53  -5.860   3.085  -3.175
  403   2HG   MET  53          2HG       MET  53  -6.529   4.491  -2.317
  404   1HE   MET  53          1HE       MET  53  -6.801   0.728  -0.891
  405   2HE   MET  53          2HE       MET  53  -5.461   0.867  -2.049
  406   3HE   MET  53          3HE       MET  53  -5.135   0.631  -0.293
  407    HA   PRO  54           HA       PRO  54 -10.585   2.225  -6.917
  408   1HB   PRO  54          1HB       PRO  54  -8.801   1.587  -8.903
  409   2HB   PRO  54          2HB       PRO  54  -9.369   3.256  -8.605
  410   1HG   PRO  54          1HG       PRO  54  -6.813   1.958  -7.663
  411   2HG   PRO  54          2HG       PRO  54  -7.005   3.558  -8.432
  412   1HD   PRO  54          1HD       PRO  54  -6.816   3.201  -5.714
  413   2HD   PRO  54          2HD       PRO  54  -7.786   4.522  -6.435
  414    HA   PRO  55           HA       PRO  55 -10.067  -2.005  -5.712
  415   1HB   PRO  55          1HB       PRO  55 -11.229  -3.430  -7.720
  416   2HB   PRO  55          2HB       PRO  55 -12.148  -2.385  -6.600
  417   1HG   PRO  55          1HG       PRO  55 -11.172  -1.694  -9.381
  418   2HG   PRO  55          2HG       PRO  55 -12.805  -1.445  -8.697
  419   1HD   PRO  55          1HD       PRO  55 -10.952   0.546  -8.783
  420   2HD   PRO  55          2HD       PRO  55 -12.075   0.396  -7.400
  421    H    GLY  56           H        GLY  56  -7.947  -2.464  -5.532
  422   1HA   GLY  56          1HA       GLY  56  -6.216  -3.971  -6.537
  423   2HA   GLY  56          2HA       GLY  56  -6.418  -3.095  -8.024
  424    H    GLY  57           H        GLY  57  -6.738  -0.741  -5.677
  425   1HA   GLY  57          1HA       GLY  57  -5.324   0.780  -4.704
  426   2HA   GLY  57          2HA       GLY  57  -3.951  -0.287  -4.985
  427    H    MET  58           H        MET  58  -3.949  -0.558  -7.682
  428    HA   MET  58           HA       MET  58  -4.709   1.488  -9.338
  429   1HB   MET  58          1HB       MET  58  -2.258   2.247  -7.985
  430   2HB   MET  58          2HB       MET  58  -1.839   1.838  -9.645
  431   1HG   MET  58          1HG       MET  58  -4.120   3.451  -9.952
  432   2HG   MET  58          2HG       MET  58  -3.268   4.149  -8.594
  433   1HE   MET  58          1HE       MET  58  -3.148   3.169 -12.319
  434   2HE   MET  58          2HE       MET  58  -3.927   4.745 -12.008
  435   3HE   MET  58          3HE       MET  58  -2.408   4.672 -12.930
  436    H    CYS  59           H        CYS  59  -2.335  -1.065  -8.744
  437    HA   CYS  59           HA       CYS  59  -1.957  -1.667 -11.578
  438   1HB   CYS  59          1HB       CYS  59  -0.560  -3.475 -10.785
  439   2HB   CYS  59          2HB       CYS  59  -0.143  -1.993  -9.937
  440    H    THR  60           H        THR  60  -2.057  -4.117 -12.092
  441    HA   THR  60           HA       THR  60  -4.669  -5.320 -11.300
  442    HB   THR  60           HB       THR  60  -5.082  -4.194 -13.353
  443    HG1  THR  60           HG1      THR  60  -5.677  -6.067 -14.568
  444   1HG2  THR  60          1HG2      THR  60  -2.704  -4.183 -14.310
  445   2HG2  THR  60          2HG2      THR  60  -2.997  -5.871 -14.806
  446   3HG2  THR  60          3HG2      THR  60  -4.007  -4.574 -15.436
  447    H    ASP  61           H        ASP  61  -1.724  -6.121 -13.241
  448    HA   ASP  61           HA       ASP  61  -1.906  -8.895 -12.484
  449   1HB   ASP  61          1HB       ASP  61  -1.239  -7.950 -14.736
  450   2HB   ASP  61          2HB       ASP  61   0.280  -7.398 -14.002
  451    H    CYS  62           H        CYS  62  -1.811  -7.824 -10.145
  452    HA   CYS  62           HA       CYS  62   1.004  -7.850  -9.079
  453   1HB   CYS  62          1HB       CYS  62  -1.511  -6.476  -8.160
  454   2HB   CYS  62          2HB       CYS  62  -0.156  -6.763  -7.074
  455    H    THR  63           H        THR  63   1.618  -9.537  -7.899
  456    HA   THR  63           HA       THR  63  -0.420 -11.423  -6.791
  457    HB   THR  63           HB       THR  63   2.482 -11.913  -7.575
  458    HG1  THR  63           HG1      THR  63   1.566 -12.848  -9.418
  459   1HG2  THR  63          1HG2      THR  63   1.574 -13.574  -5.938
  460   2HG2  THR  63          2HG2      THR  63   0.173 -13.832  -7.005
  461   3HG2  THR  63          3HG2      THR  63   1.799 -14.292  -7.539
  462    H    ASP  64           H        ASP  64  -0.333 -11.925  -4.602
  463    HA   ASP  64           HA       ASP  64   0.465 -10.322  -2.634
  464   1HB   ASP  64          1HB       ASP  64  -0.108 -13.217  -2.900
  465   2HB   ASP  64          2HB       ASP  64   0.784 -12.785  -1.455
  466    H    GLU  65           H        GLU  65   2.606 -12.861  -3.890
  467    HA   GLU  65           HA       GLU  65   4.987 -12.729  -2.612
  468   1HB   GLU  65          1HB       GLU  65   4.288 -12.583  -5.564
  469   2HB   GLU  65          2HB       GLU  65   5.958 -12.752  -5.020
  470   1HG   GLU  65          1HG       GLU  65   3.953 -14.699  -3.863
  471   2HG   GLU  65          2HG       GLU  65   4.413 -14.885  -5.561
  472    H    ASP  66           H        ASP  66   4.165 -10.280  -5.140
  473    HA   ASP  66           HA       ASP  66   6.240  -8.486  -4.019
  474   1HB   ASP  66          1HB       ASP  66   5.030  -8.865  -6.691
  475   2HB   ASP  66          2HB       ASP  66   5.322  -7.182  -6.217
  476    H    TYR  67           H        TYR  67   2.698  -8.694  -4.430
  477    HA   TYR  67           HA       TYR  67   1.970  -6.078  -3.870
  478   1HB   TYR  67          1HB       TYR  67   0.721  -8.553  -4.099
  479   2HB   TYR  67          2HB       TYR  67   0.308  -8.096  -2.464
  480    HD1  TYR  67           HD1      TYR  67  -0.053  -5.067  -2.906
  481    HD2  TYR  67           HD2      TYR  67  -1.343  -8.547  -5.114
  482    HE1  TYR  67           HE1      TYR  67  -1.878  -3.746  -3.961
  483    HE2  TYR  67           HE2      TYR  67  -3.130  -7.216  -6.170
  484    HH   TYR  67           HH       TYR  67  -3.927  -5.085  -6.523
  485    H    LYS  68           H        LYS  68   2.853  -8.598  -1.523
  486    HA   LYS  68           HA       LYS  68   2.488  -6.882   0.843
  487   1HB   LYS  68          1HB       LYS  68   3.581  -9.649   0.331
  488   2HB   LYS  68          2HB       LYS  68   3.891  -8.840   1.875
  489   1HG   LYS  68          1HG       LYS  68   1.784  -9.104   2.645
  490   2HG   LYS  68          2HG       LYS  68   1.092  -8.560   1.140
  491   1HD   LYS  68          1HD       LYS  68   0.263 -10.721   1.458
  492   2HD   LYS  68          2HD       LYS  68   1.403 -10.833   0.134
  493   1HE   LYS  68          1HE       LYS  68   2.085 -11.444   3.061
  494   2HE   LYS  68          2HE       LYS  68   1.422 -12.664   1.965
  495   1HZ   LYS  68          1HZ       LYS  68   3.346 -12.295   0.537
  496   2HZ   LYS  68          2HZ       LYS  68   3.955 -11.210   1.609
  497   3HZ   LYS  68          3HZ       LYS  68   3.795 -12.788   2.048
  498    H    ALA  69           H        ALA  69   5.311  -8.087  -1.063
  499    HA   ALA  69           HA       ALA  69   7.336  -6.752   0.302
  500   1HB   ALA  69          1HB       ALA  69   7.767  -8.353  -1.398
  501   2HB   ALA  69          2HB       ALA  69   7.191  -7.222  -2.626
  502   3HB   ALA  69          3HB       ALA  69   8.633  -6.831  -1.683
  503    H    ALA  70           H        ALA  70   4.866  -5.404  -1.832
  504    HA   ALA  70           HA       ALA  70   6.132  -2.799  -2.217
  505   1HB   ALA  70          1HB       ALA  70   4.597  -3.764  -3.898
  506   2HB   ALA  70          2HB       ALA  70   3.267  -3.698  -2.724
  507   3HB   ALA  70          3HB       ALA  70   4.014  -2.205  -3.300
  508    H    ILE  71           H        ILE  71   3.818  -4.162   0.040
  509    HA   ILE  71           HA       ILE  71   3.181  -1.594   1.308
  510    HB   ILE  71           HB       ILE  71   2.202  -4.369   1.299
  511   1HG1  ILE  71          1HG1      ILE  71   0.248  -2.896   2.504
  512   2HG1  ILE  71          2HG1      ILE  71   1.116  -1.635   1.627
  513   1HG2  ILE  71          1HG2      ILE  71   3.090  -4.799   3.420
  514   2HG2  ILE  71          2HG2      ILE  71   2.523  -3.250   4.079
  515   3HG2  ILE  71          3HG2      ILE  71   1.370  -4.509   3.600
  516   1HD1  ILE  71          1HD1      ILE  71   0.923  -2.997  -0.457
  517   2HD1  ILE  71          2HD1      ILE  71  -0.048  -4.169   0.469
  518   3HD1  ILE  71          3HD1      ILE  71  -0.641  -2.514   0.256
  519    H    GLU  72           H        GLU  72   5.038  -4.487   2.165
  520    HA   GLU  72           HA       GLU  72   6.095  -3.362   4.577
  521   1HB   GLU  72          1HB       GLU  72   7.422  -5.329   4.783
  522   2HB   GLU  72          2HB       GLU  72   5.845  -5.775   4.125
  523   1HG   GLU  72          1HG       GLU  72   7.102  -6.947   2.620
  524   2HG   GLU  72          2HG       GLU  72   7.110  -5.364   1.820
  525    H    PHE  73           H        PHE  73   7.214  -3.096   1.213
  526    HA   PHE  73           HA       PHE  73   9.742  -2.110   1.393
  527   1HB   PHE  73          1HB       PHE  73   8.242  -2.073  -0.636
  528   2HB   PHE  73          2HB       PHE  73   7.437  -0.658   0.011
  529    HD1  PHE  73           HD1      PHE  73  10.397  -2.006  -1.648
  530    HD2  PHE  73           HD2      PHE  73   8.778   1.511   0.249
  531    HE1  PHE  73           HE1      PHE  73  12.281  -0.647  -2.539
  532    HE2  PHE  73           HE2      PHE  73  10.681   2.848  -0.604
  533    HZ   PHE  73           HZ       PHE  73  12.417   1.767  -2.040
  534    H    MET  74           H        MET  74   6.805  -0.314   2.318
  535    HA   MET  74           HA       MET  74   8.244   2.041   3.163
  536   1HB   MET  74          1HB       MET  74   5.400   1.028   3.273
  537   2HB   MET  74          2HB       MET  74   5.855   2.498   4.155
  538   1HG   MET  74          1HG       MET  74   5.105   3.341   2.107
  539   2HG   MET  74          2HG       MET  74   6.848   3.285   1.876
  540   1HE   MET  74          1HE       MET  74   3.635   0.857   1.291
  541   2HE   MET  74          2HE       MET  74   3.394   2.471   0.571
  542   3HE   MET  74          3HE       MET  74   3.614   1.053  -0.469
  543    H    SER  75           H        SER  75   6.576  -0.603   4.842
  544    HA   SER  75           HA       SER  75   8.390  -0.411   7.101
  545   1HB   SER  75          1HB       SER  75   7.073   1.305   7.960
  546   2HB   SER  75          2HB       SER  75   5.584   0.587   7.375
  547    HG   SER  75           HG       SER  75   5.779   0.301   9.631
  548    H    LYS  76           H        LYS  76   5.119  -1.707   7.432
  549    HA   LYS  76           HA       LYS  76   5.309  -4.295   6.462
  550   1HB   LYS  76          1HB       LYS  76   5.885  -5.514   8.514
  551   2HB   LYS  76          2HB       LYS  76   7.257  -4.849   7.697
  552   1HG   LYS  76          1HG       LYS  76   6.405  -2.907   9.674
  553   2HG   LYS  76          2HG       LYS  76   6.294  -4.500  10.392
  554   1HD   LYS  76          1HD       LYS  76   8.407  -4.046  11.004
  555   2HD   LYS  76          2HD       LYS  76   8.779  -4.780   9.446
  556   1HE   LYS  76          1HE       LYS  76   9.566  -2.800   8.563
  557   2HE   LYS  76          2HE       LYS  76   8.286  -1.833   9.309
  558   1HZ   LYS  76          1HZ       LYS  76   9.448  -1.912  11.367
  559   2HZ   LYS  76          2HZ       LYS  76  10.675  -2.789  10.692
  560   3HZ   LYS  76          3HZ       LYS  76  10.375  -1.254  10.182
  561    H    ALA  77           H        ALA  77   3.260  -2.700   6.454
  562    HA   ALA  77           HA       ALA  77   1.251  -4.222   7.762
  563   1HB   ALA  77          1HB       ALA  77   1.709  -3.069   9.783
  564   2HB   ALA  77          2HB       ALA  77   1.724  -1.488   8.977
  565   3HB   ALA  77          3HB       ALA  77   0.214  -2.429   9.129
  566    H    LYS  78           H        LYS  78   0.939  -0.739   7.209
  567    HA   LYS  78           HA       LYS  78  -1.195  -1.295   5.285
  568   1HB   LYS  78          1HB       LYS  78  -1.748   1.046   5.394
  569   2HB   LYS  78          2HB       LYS  78  -1.550   0.401   7.012
  570   1HG   LYS  78          1HG       LYS  78   0.090   1.851   7.517
  571   2HG   LYS  78          2HG       LYS  78   0.912   1.532   6.014
  572   1HD   LYS  78          1HD       LYS  78  -1.527   3.369   5.985
  573   2HD   LYS  78          2HD       LYS  78   0.041   3.940   6.539
  574   1HE   LYS  78          1HE       LYS  78   0.282   4.463   4.312
  575   2HE   LYS  78          2HE       LYS  78   0.968   2.866   4.332
  576   1HZ   LYS  78          1HZ       LYS  78  -0.875   1.845   3.621
  577   2HZ   LYS  78          2HZ       LYS  78  -1.792   3.204   3.533
  578   3HZ   LYS  78          3HZ       LYS  78  -0.459   2.953   2.550
  579    HHA  HEC  90           HHA      HEC  90  -5.596   4.276   3.412
  580    HHB  HEC  90           HHB      HEC  90  -1.254   0.272   0.872
  581    HHC  HEC  90           HHC      HEC  90  -2.265   3.017  -4.910
  582    HHD  HEC  90           HHD      HEC  90  -5.536   7.772  -2.006
  583   1HMA  HEC  90          1HMA      HEC  90  -3.781  -0.854   2.695
  584   2HMA  HEC  90          2HMA      HEC  90  -2.023  -0.696   2.618
  585   3HMA  HEC  90          3HMA      HEC  90  -2.876  -0.332   4.117
  586   1HAA  HEC  90          1HAA      HEC  90  -4.581   2.885   5.103
  587   2HAA  HEC  90          2HAA      HEC  90  -4.042   1.218   5.172
  588   1HBA  HEC  90          1HBA      HEC  90  -6.709   2.207   4.174
  589   2HBA  HEC  90          2HBA      HEC  90  -6.383   1.203   5.580
  590   1HMB  HEC  90          1HMB      HEC  90  -0.288  -1.329  -1.778
  591   2HMB  HEC  90          2HMB      HEC  90   1.046  -0.207  -1.989
  592   3HMB  HEC  90          3HMB      HEC  90   0.330  -0.374  -0.427
  593    HAB  HEC  90           HAB      HEC  90  -0.780   1.573  -5.185
  594   1HBB  HEC  90          1HBB      HEC  90  -1.746  -0.706  -5.011
  595   2HBB  HEC  90          2HBB      HEC  90  -0.150  -0.677  -5.779
  596   3HBB  HEC  90          3HBB      HEC  90  -0.314  -1.222  -4.104
  597   1HMC  HEC  90          1HMC      HEC  90  -4.251   5.042  -6.709
  598   2HMC  HEC  90          2HMC      HEC  90  -2.858   6.155  -6.545
  599   3HMC  HEC  90          3HMC      HEC  90  -2.632   4.448  -6.372
  600    HAC  HEC  90           HAC      HEC  90  -5.959   7.699  -4.494
  601   1HBC  HEC  90          1HBC      HEC  90  -5.140   7.072  -6.750
  602   2HBC  HEC  90          2HBC      HEC  90  -5.312   8.805  -6.471
  603   3HBC  HEC  90          3HBC      HEC  90  -3.703   8.112  -6.427
  604   1HMD  HEC  90          1HMD      HEC  90  -7.464   8.555  -0.184
  605   2HMD  HEC  90          2HMD      HEC  90  -6.803   9.033   1.386
  606   3HMD  HEC  90          3HMD      HEC  90  -5.845   9.249  -0.077
  607   1HAD  HEC  90          1HAD      HEC  90  -6.734   7.649   3.397
  608   2HAD  HEC  90          2HAD      HEC  90  -6.967   5.924   3.624
  609   1HBD  HEC  90          1HBD      HEC  90  -8.627   6.216   1.543
  610   2HBD  HEC  90          2HBD      HEC  90  -8.701   7.878   2.137
  Start of MODEL    3
    1   1H    ALA  -3          1H        ALA  -3   2.587  -1.067 -12.322
    2   2H    ALA  -3          2H        ALA  -3   0.946  -1.083 -12.394
    3   3H    ALA  -3          3H        ALA  -3   1.734  -2.358 -11.742
    4    HA   ALA  -3           HA       ALA  -3   0.993  -2.978 -13.889
    5   1HB   ALA  -3          1HB       ALA  -3   0.679  -0.661 -14.699
    6   2HB   ALA  -3          2HB       ALA  -3   2.441  -0.487 -14.870
    7   3HB   ALA  -3          3HB       ALA  -3   1.556  -1.651 -15.873
    8    H    ASP  -2           H        ASP  -2   3.491  -3.502 -12.119
    9    HA   ASP  -2           HA       ASP  -2   5.042  -4.934 -14.098
   10   1HB   ASP  -2          1HB       ASP  -2   5.807  -2.537 -14.412
   11   2HB   ASP  -2          2HB       ASP  -2   6.350  -2.538 -12.725
   12    H    LEU  -1           H        LEU  -1   4.382  -6.650 -12.596
   13    HA   LEU  -1           HA       LEU  -1   5.225  -6.491  -9.825
   14   1HB   LEU  -1          1HB       LEU  -1   4.091  -8.425  -9.436
   15   2HB   LEU  -1          2HB       LEU  -1   3.181  -7.541 -10.645
   16    HG   LEU  -1           HG       LEU  -1   2.897  -9.596 -11.456
   17   1HD1  LEU  -1          1HD1      LEU  -1   4.023  -8.485 -13.305
   18   2HD1  LEU  -1          2HD1      LEU  -1   5.598  -9.110 -12.754
   19   3HD1  LEU  -1          3HD1      LEU  -1   4.341 -10.221 -13.308
   20   1HD2  LEU  -1          1HD2      LEU  -1   5.524 -10.833 -10.756
   21   2HD2  LEU  -1          2HD2      LEU  -1   4.165 -10.706  -9.616
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.977 -11.554 -11.154
   23    H    GLN   1           H        GLN   1   7.467  -6.126 -11.419
   24    HA   GLN   1           HA       GLN   1   9.038  -8.640 -10.982
   25   1HB   GLN   1          1HB       GLN   1   9.147  -6.410 -12.975
   26   2HB   GLN   1          2HB       GLN   1  10.716  -6.826 -12.301
   27   1HG   GLN   1          1HG       GLN   1   8.823  -8.836 -13.583
   28   2HG   GLN   1          2HG       GLN   1  10.217  -8.077 -14.369
   29   1HE2  GLN   1          1HE2      GLN   1   9.220 -10.701 -12.316
   30   2HE2  GLN   1          2HE2      GLN   1  10.851 -11.270 -11.978
   31    H    ASP   2           H        ASP   2   8.628  -5.365  -9.888
   32    HA   ASP   2           HA       ASP   2  10.445  -6.035  -7.702
   33   1HB   ASP   2          1HB       ASP   2  11.759  -4.682  -9.444
   34   2HB   ASP   2          2HB       ASP   2  10.725  -3.310  -9.009
   35    H    ALA   3           H        ALA   3   9.267  -5.867  -5.986
   36    HA   ALA   3           HA       ALA   3   6.807  -4.636  -5.596
   37   1HB   ALA   3          1HB       ALA   3   7.868  -6.269  -4.163
   38   2HB   ALA   3          2HB       ALA   3   9.083  -5.080  -3.628
   39   3HB   ALA   3          3HB       ALA   3   7.368  -4.828  -3.243
   40    H    GLU   4           H        GLU   4  10.077  -3.132  -5.447
   41    HA   GLU   4           HA       GLU   4   9.195  -0.620  -4.347
   42   1HB   GLU   4          1HB       GLU   4  11.489  -1.139  -4.232
   43   2HB   GLU   4          2HB       GLU   4  11.645  -1.361  -5.976
   44   1HG   GLU   4          1HG       GLU   4  11.448   0.942  -6.440
   45   2HG   GLU   4          2HG       GLU   4  10.676   1.304  -4.894
   46    H    ALA   5           H        ALA   5   9.411  -1.984  -7.639
   47    HA   ALA   5           HA       ALA   5   8.705   0.522  -8.958
   48   1HB   ALA   5          1HB       ALA   5  10.032  -1.194 -10.111
   49   2HB   ALA   5          2HB       ALA   5   8.654  -2.321 -10.048
   50   3HB   ALA   5          3HB       ALA   5   8.527  -0.815 -10.972
   51    H    ILE   6           H        ILE   6   6.930  -2.333  -7.719
   52    HA   ILE   6           HA       ILE   6   4.398  -1.548  -8.848
   53    HB   ILE   6           HB       ILE   6   5.211  -3.198  -6.450
   54   1HG1  ILE   6          1HG1      ILE   6   5.479  -4.179  -8.705
   55   2HG1  ILE   6          2HG1      ILE   6   4.367  -5.067  -7.669
   56   1HG2  ILE   6          1HG2      ILE   6   3.167  -2.293  -5.625
   57   2HG2  ILE   6          2HG2      ILE   6   2.357  -2.460  -7.191
   58   3HG2  ILE   6          3HG2      ILE   6   2.784  -3.899  -6.237
   59   1HD1  ILE   6          1HD1      ILE   6   2.424  -3.991  -8.837
   60   2HD1  ILE   6          2HD1      ILE   6   3.565  -3.228  -9.966
   61   3HD1  ILE   6          3HD1      ILE   6   3.421  -4.988  -9.889
   62    H    TYR   7           H        TYR   7   5.808  -0.790  -5.534
   63    HA   TYR   7           HA       TYR   7   3.509   0.875  -5.140
   64   1HB   TYR   7          1HB       TYR   7   4.147   1.288  -3.017
   65   2HB   TYR   7          2HB       TYR   7   5.063  -0.175  -3.311
   66    HD1  TYR   7           HD1      TYR   7   7.443  -0.095  -3.084
   67    HD2  TYR   7           HD2      TYR   7   5.182   3.566  -3.154
   68    HE1  TYR   7           HE1      TYR   7   9.549   1.226  -2.936
   69    HE2  TYR   7           HE2      TYR   7   7.277   4.873  -2.976
   70    HH   TYR   7           HH       TYR   7   9.569   4.776  -3.114
   71    H    ASN   8           H        ASN   8   6.772   1.615  -6.218
   72    HA   ASN   8           HA       ASN   8   6.494   4.434  -6.265
   73   1HB   ASN   8          1HB       ASN   8   8.595   3.087  -6.136
   74   2HB   ASN   8          2HB       ASN   8   8.359   2.625  -7.835
   75   1HD2  ASN   8          1HD2      ASN   8  10.327   3.547  -8.477
   76   2HD2  ASN   8          2HD2      ASN   8  10.537   5.294  -8.493
   77    H    LYS   9           H        LYS   9   5.497   1.977  -8.610
   78    HA   LYS   9           HA       LYS   9   4.729   4.076 -10.541
   79   1HB   LYS   9          1HB       LYS   9   5.642   1.730 -11.108
   80   2HB   LYS   9          2HB       LYS   9   4.026   1.147 -10.751
   81   1HG   LYS   9          1HG       LYS   9   3.280   1.856 -12.769
   82   2HG   LYS   9          2HG       LYS   9   3.839   3.493 -12.492
   83   1HD   LYS   9          1HD       LYS   9   5.523   1.188 -13.585
   84   2HD   LYS   9          2HD       LYS   9   4.850   2.548 -14.500
   85   1HE   LYS   9          1HE       LYS   9   6.219   4.086 -12.903
   86   2HE   LYS   9          2HE       LYS   9   7.078   2.626 -12.402
   87   1HZ   LYS   9          1HZ       LYS   9   7.672   2.258 -14.711
   88   2HZ   LYS   9          2HZ       LYS   9   6.956   3.678 -15.142
   89   3HZ   LYS   9          3HZ       LYS   9   8.256   3.684 -14.138
   90    H    ALA  10           H        ALA  10   3.195   2.226  -7.957
   91    HA   ALA  10           HA       ALA  10   0.465   2.964  -8.966
   92   1HB   ALA  10          1HB       ALA  10   0.998   0.541  -8.823
   93   2HB   ALA  10          2HB       ALA  10   1.198   0.717  -7.063
   94   3HB   ALA  10          3HB       ALA  10  -0.365   1.044  -7.813
   95    H    CYS  11           H        CYS  11   2.017   2.356  -5.767
   96    HA   CYS  11           HA       CYS  11   0.102   4.089  -4.400
   97   1HB   CYS  11          1HB       CYS  11   2.513   3.096  -3.009
   98   2HB   CYS  11          2HB       CYS  11   0.842   3.135  -2.471
   99    H    THR  12           H        THR  12   1.396   5.506  -6.353
  100    HA   THR  12           HA       THR  12   3.439   7.188  -4.980
  101    HB   THR  12           HB       THR  12   4.265   5.514  -6.701
  102    HG1  THR  12           HG1      THR  12   4.576   8.213  -7.398
  103   1HG2  THR  12          1HG2      THR  12   2.331   5.750  -8.307
  104   2HG2  THR  12          2HG2      THR  12   2.831   7.414  -8.657
  105   3HG2  THR  12          3HG2      THR  12   3.877   6.082  -9.095
  106    H    VAL  13           H        VAL  13   0.429   7.338  -6.149
  107    HA   VAL  13           HA       VAL  13   0.683   9.997  -7.462
  108    HB   VAL  13           HB       VAL  13  -1.787   8.230  -7.160
  109   1HG1  VAL  13          1HG1      VAL  13  -2.092  10.595  -7.824
  110   2HG1  VAL  13          2HG1      VAL  13  -0.917  10.364  -9.140
  111   3HG1  VAL  13          3HG1      VAL  13  -2.474   9.497  -9.169
  112   1HG2  VAL  13          1HG2      VAL  13   0.316   8.143  -9.369
  113   2HG2  VAL  13          2HG2      VAL  13  -0.144   6.806  -8.293
  114   3HG2  VAL  13          3HG2      VAL  13  -1.300   7.414  -9.473
  115    H    CYS  14           H        CYS  14  -0.858   8.242  -4.872
  116    HA   CYS  14           HA       CYS  14  -2.003  10.619  -3.569
  117   1HB   CYS  14          1HB       CYS  14  -2.298   7.630  -3.288
  118   2HB   CYS  14          2HB       CYS  14  -3.302   8.825  -2.438
  119    H    HIS  15           H        HIS  15  -0.225   7.640  -2.561
  120    HA   HIS  15           HA       HIS  15   0.173   8.680   0.098
  121   1HB   HIS  15          1HB       HIS  15   1.273   6.262  -1.406
  122   2HB   HIS  15          2HB       HIS  15   1.582   6.582   0.296
  123    HD1  HIS  15           HD1      HIS  15  -0.227   6.126   1.995
  124    HD2  HIS  15           HD2      HIS  15  -1.295   5.461  -1.985
  125    HE1  HIS  15           HE1      HIS  15  -2.153   4.434   2.062
  126    H    SER  16           H        SER  16   2.041   9.158  -2.718
  127    HA   SER  16           HA       SER  16   4.673   9.402  -1.489
  128   1HB   SER  16          1HB       SER  16   3.508  10.187  -4.177
  129   2HB   SER  16          2HB       SER  16   5.120  10.730  -3.681
  130    HG   SER  16           HG       SER  16   5.123   8.679  -4.813
  131    H    MET  17           H        MET  17   2.102  11.678  -2.411
  132    HA   MET  17           HA       MET  17   3.525  13.868  -0.955
  133   1HB   MET  17          1HB       MET  17   2.908  13.800  -3.611
  134   2HB   MET  17          2HB       MET  17   1.413  14.497  -2.972
  135   1HG   MET  17          1HG       MET  17   2.839  16.343  -3.434
  136   2HG   MET  17          2HG       MET  17   2.954  16.134  -1.681
  137   1HE   MET  17          1HE       MET  17   4.928  17.962  -3.110
  138   2HE   MET  17          2HE       MET  17   5.155  17.510  -1.397
  139   3HE   MET  17          3HE       MET  17   6.519  17.400  -2.535
  140    H    GLY  18           H        GLY  18   0.485  12.140  -1.240
  141   1HA   GLY  18          1HA       GLY  18  -1.262  11.999   0.244
  142   2HA   GLY  18          2HA       GLY  18  -0.535  13.232   1.247
  143    H    VAL  19           H        VAL  19  -2.028  12.909  -2.015
  144    HA   VAL  19           HA       VAL  19  -3.066  15.667  -1.918
  145    HB   VAL  19           HB       VAL  19  -3.386  13.519  -4.057
  146   1HG1  VAL  19          1HG1      VAL  19  -5.183  15.204  -4.239
  147   2HG1  VAL  19          2HG1      VAL  19  -3.990  16.514  -4.116
  148   3HG1  VAL  19          3HG1      VAL  19  -4.002  15.441  -5.528
  149   1HG2  VAL  19          1HG2      VAL  19  -1.491  15.906  -3.884
  150   2HG2  VAL  19          2HG2      VAL  19  -1.025  14.191  -3.791
  151   3HG2  VAL  19          3HG2      VAL  19  -1.691  14.845  -5.294
  152    H    ALA  20           H        ALA  20  -4.607  12.517  -2.223
  153    HA   ALA  20           HA       ALA  20  -7.262  13.656  -1.562
  154   1HB   ALA  20          1HB       ALA  20  -6.971  11.990  -3.335
  155   2HB   ALA  20          2HB       ALA  20  -6.300  10.843  -2.153
  156   3HB   ALA  20          3HB       ALA  20  -8.006  11.359  -2.025
  157    H    GLY  21           H        GLY  21  -5.203  13.931   0.347
  158   1HA   GLY  21          1HA       GLY  21  -4.695  13.656   2.590
  159   2HA   GLY  21          2HA       GLY  21  -6.343  13.051   2.812
  160    H    ALA  22           H        ALA  22  -4.074  11.444   0.635
  161    HA   ALA  22           HA       ALA  22  -4.497   8.956   1.840
  162   1HB   ALA  22          1HB       ALA  22  -4.030   9.197  -0.490
  163   2HB   ALA  22          2HB       ALA  22  -2.391   9.781  -0.157
  164   3HB   ALA  22          3HB       ALA  22  -2.837   8.102   0.218
  165    HA   PRO  23           HA       PRO  23  -1.656   9.135   5.229
  166   1HB   PRO  23          1HB       PRO  23  -1.305   6.428   5.795
  167   2HB   PRO  23          2HB       PRO  23  -2.715   7.417   6.253
  168   1HG   PRO  23          1HG       PRO  23  -2.507   5.437   4.031
  169   2HG   PRO  23          2HG       PRO  23  -3.913   5.914   5.009
  170   1HD   PRO  23          1HD       PRO  23  -3.417   6.801   2.404
  171   2HD   PRO  23          2HD       PRO  23  -4.452   7.609   3.608
  172    H    LYS  24           H        LYS  24   0.635   8.701   5.881
  173    HA   LYS  24           HA       LYS  24   2.028   9.309   3.403
  174   1HB   LYS  24          1HB       LYS  24   3.182   9.044   6.198
  175   2HB   LYS  24          2HB       LYS  24   3.975   9.762   4.791
  176   1HG   LYS  24          1HG       LYS  24   2.057  11.417   4.659
  177   2HG   LYS  24          2HG       LYS  24   1.479  10.758   6.206
  178   1HD   LYS  24          1HD       LYS  24   3.709  11.348   7.244
  179   2HD   LYS  24          2HD       LYS  24   4.253  11.958   5.684
  180   1HE   LYS  24          1HE       LYS  24   3.610  13.853   7.025
  181   2HE   LYS  24          2HE       LYS  24   2.456  13.680   5.697
  182   1HZ   LYS  24          1HZ       LYS  24   0.964  12.569   7.269
  183   2HZ   LYS  24          2HZ       LYS  24   2.045  12.802   8.486
  184   3HZ   LYS  24          3HZ       LYS  24   1.326  14.094   7.768
  185    H    SER  25           H        SER  25   3.400   8.119   2.131
  186    HA   SER  25           HA       SER  25   3.735   5.374   2.270
  187   1HB   SER  25          1HB       SER  25   5.490   7.526   1.069
  188   2HB   SER  25          2HB       SER  25   5.860   5.793   0.907
  189    HG   SER  25           HG       SER  25   4.512   6.571  -0.819
  190    H    HIS  26           H        HIS  26   5.485   7.694   4.256
  191    HA   HIS  26           HA       HIS  26   6.643   5.416   5.754
  192   1HB   HIS  26          1HB       HIS  26   8.828   6.817   5.924
  193   2HB   HIS  26          2HB       HIS  26   8.532   5.751   4.556
  194    HD1  HIS  26           HD1      HIS  26   8.788   6.754   2.236
  195    HD2  HIS  26           HD2      HIS  26   8.174   9.617   5.261
  196    HE1  HIS  26           HE1      HIS  26   8.916   9.052   1.120
  197    H    ASN  27           H        ASN  27   5.161   5.766   7.336
  198    HA   ASN  27           HA       ASN  27   5.804   8.038   9.130
  199   1HB   ASN  27          1HB       ASN  27   3.234   7.545   7.844
  200   2HB   ASN  27          2HB       ASN  27   3.069   7.090   9.532
  201   1HD2  ASN  27          1HD2      ASN  27   1.659   9.204   8.326
  202   2HD2  ASN  27          2HD2      ASN  27   2.088  10.542   9.389
  203    H    THR  28           H        THR  28   5.202   7.452  11.423
  204    HA   THR  28           HA       THR  28   5.221   4.462  11.863
  205    HB   THR  28           HB       THR  28   5.882   6.648  13.857
  206    HG1  THR  28           HG1      THR  28   7.931   5.175  13.378
  207   1HG2  THR  28          1HG2      THR  28   5.068   4.592  14.944
  208   2HG2  THR  28          2HG2      THR  28   6.142   3.598  13.942
  209   3HG2  THR  28          3HG2      THR  28   6.814   4.719  15.147
  210    H    ALA  29           H        ALA  29   3.406   7.485  12.590
  211    HA   ALA  29           HA       ALA  29   1.536   6.163  14.289
  212   1HB   ALA  29          1HB       ALA  29   2.015   8.544  14.404
  213   2HB   ALA  29          2HB       ALA  29   1.283   8.791  12.797
  214   3HB   ALA  29          3HB       ALA  29   0.283   8.241  14.163
  215    H    ASP  30           H        ASP  30   1.398   6.835  10.784
  216    HA   ASP  30           HA       ASP  30  -1.371   6.052  10.430
  217   1HB   ASP  30          1HB       ASP  30   0.928   6.102   8.413
  218   2HB   ASP  30          2HB       ASP  30  -0.783   5.923   8.043
  219    H    TRP  31           H        TRP  31   1.682   4.443  10.638
  220    HA   TRP  31           HA       TRP  31   0.830   1.882   9.504
  221   1HB   TRP  31          1HB       TRP  31   3.465   3.015  10.451
  222   2HB   TRP  31          2HB       TRP  31   3.277   1.390   9.760
  223    HD1  TRP  31           HD1      TRP  31   2.919   5.073   8.827
  224    HE1  TRP  31           HE1      TRP  31   3.018   5.443   6.289
  225    HE3  TRP  31           HE3      TRP  31   3.482   0.222   7.369
  226    HZ2  TRP  31           HZ2      TRP  31   3.148   3.841   3.971
  227    HZ3  TRP  31           HZ3      TRP  31   3.263  -0.336   4.938
  228    HH2  TRP  31           HH2      TRP  31   2.993   1.455   3.282
  229    H    GLU  32           H        GLU  32   1.738   3.203  12.737
  230    HA   GLU  32           HA       GLU  32   2.014   0.970  14.271
  231   1HB   GLU  32          1HB       GLU  32   0.887   3.688  14.718
  232   2HB   GLU  32          2HB       GLU  32   0.443   2.481  15.935
  233   1HG   GLU  32          1HG       GLU  32   2.746   1.973  16.419
  234   2HG   GLU  32          2HG       GLU  32   3.313   2.994  15.089
  235    HA   PRO  33           HA       PRO  33  -2.584  -0.069  14.896
  236   1HB   PRO  33          1HB       PRO  33  -4.599   1.221  13.573
  237   2HB   PRO  33          2HB       PRO  33  -3.818   1.879  15.037
  238   1HG   PRO  33          1HG       PRO  33  -3.140   2.540  12.158
  239   2HG   PRO  33          2HG       PRO  33  -3.510   3.689  13.476
  240   1HD   PRO  33          1HD       PRO  33  -0.990   3.048  12.777
  241   2HD   PRO  33          2HD       PRO  33  -1.423   3.289  14.496
  242    H    ARG  34           H        ARG  34  -0.848  -0.148  12.121
  243    HA   ARG  34           HA       ARG  34  -2.676  -1.986  10.646
  244   1HB   ARG  34          1HB       ARG  34  -0.290  -0.373   9.640
  245   2HB   ARG  34          2HB       ARG  34  -1.453  -1.257   8.658
  246   1HG   ARG  34          1HG       ARG  34  -2.045   1.180  10.419
  247   2HG   ARG  34          2HG       ARG  34  -1.688   1.260   8.716
  248   1HD   ARG  34          1HD       ARG  34  -3.765   0.699   8.094
  249   2HD   ARG  34          2HD       ARG  34  -3.800  -0.692   9.172
  250    HE   ARG  34           HE       ARG  34  -5.174   0.480  10.520
  251   1HH1  ARG  34          2HH1      ARG  34  -2.885   3.061   9.570
  252   2HH1  ARG  34          1HH1      ARG  34  -4.247   3.962   8.952
  253   1HH2  ARG  34          1HH2      ARG  34  -6.717   2.178  10.564
  254   2HH2  ARG  34          2HH2      ARG  34  -6.158   3.806  10.267
  255    H    LEU  35           H        LEU  35   0.712  -1.369  11.523
  256    HA   LEU  35           HA       LEU  35   1.752  -4.005  11.140
  257   1HB   LEU  35          1HB       LEU  35   2.774  -1.511  11.525
  258   2HB   LEU  35          2HB       LEU  35   2.943  -2.120  13.164
  259    HG   LEU  35           HG       LEU  35   4.095  -3.326  10.601
  260   1HD1  LEU  35          1HD1      LEU  35   5.128  -1.192  11.280
  261   2HD1  LEU  35          2HD1      LEU  35   5.462  -1.866  12.892
  262   3HD1  LEU  35          3HD1      LEU  35   6.248  -2.549  11.451
  263   1HD2  LEU  35          1HD2      LEU  35   4.388  -4.219  13.493
  264   2HD2  LEU  35          2HD2      LEU  35   3.789  -5.167  12.104
  265   3HD2  LEU  35          3HD2      LEU  35   5.490  -4.708  12.189
  266    H    ALA  36           H        ALA  36  -0.276  -2.695  13.619
  267    HA   ALA  36           HA       ALA  36   0.603  -4.485  15.792
  268   1HB   ALA  36          1HB       ALA  36  -0.156  -2.209  16.327
  269   2HB   ALA  36          2HB       ALA  36  -1.723  -2.527  15.548
  270   3HB   ALA  36          3HB       ALA  36  -1.258  -3.416  17.015
  271    H    LYS  37           H        LYS  37  -1.711  -4.305  13.168
  272    HA   LYS  37           HA       LYS  37  -3.358  -6.491  14.138
  273   1HB   LYS  37          1HB       LYS  37  -3.239  -4.904  11.551
  274   2HB   LYS  37          2HB       LYS  37  -4.317  -6.281  11.747
  275   1HG   LYS  37          1HG       LYS  37  -4.357  -4.240  13.950
  276   2HG   LYS  37          2HG       LYS  37  -4.979  -3.698  12.393
  277   1HD   LYS  37          1HD       LYS  37  -6.727  -5.205  12.360
  278   2HD   LYS  37          2HD       LYS  37  -5.911  -6.396  13.389
  279   1HE   LYS  37          1HE       LYS  37  -6.311  -5.219  15.381
  280   2HE   LYS  37          2HE       LYS  37  -6.695  -3.704  14.548
  281   1HZ   LYS  37          1HZ       LYS  37  -8.715  -4.651  13.767
  282   2HZ   LYS  37          2HZ       LYS  37  -8.368  -6.132  14.392
  283   3HZ   LYS  37          3HZ       LYS  37  -8.659  -4.862  15.395
  284    H    GLY  38           H        GLY  38  -1.098  -5.952  11.422
  285   1HA   GLY  38          1HA       GLY  38   0.636  -8.075  11.784
  286   2HA   GLY  38          2HA       GLY  38  -0.714  -8.815  10.911
  287    H    VAL  39           H        VAL  39  -0.567  -8.778   8.748
  288    HA   VAL  39           HA       VAL  39   0.538  -6.432   7.330
  289    HB   VAL  39           HB       VAL  39   1.541  -8.616   5.843
  290   1HG1  VAL  39          1HG1      VAL  39   2.446  -6.345   6.142
  291   2HG1  VAL  39          2HG1      VAL  39   2.998  -6.834   7.769
  292   3HG1  VAL  39          3HG1      VAL  39   3.686  -7.614   6.323
  293   1HG2  VAL  39          1HG2      VAL  39   2.474  -8.992   8.727
  294   2HG2  VAL  39          2HG2      VAL  39   1.391 -10.108   7.878
  295   3HG2  VAL  39          3HG2      VAL  39   3.033  -9.848   7.281
  296    H    ASP  40           H        ASP  40  -0.658  -9.751   6.764
  297    HA   ASP  40           HA       ASP  40  -1.783  -9.275   4.288
  298   1HB   ASP  40          1HB       ASP  40  -2.822 -11.382   6.188
  299   2HB   ASP  40          2HB       ASP  40  -2.545 -11.489   4.444
  300    H    ASN  41           H        ASN  41  -2.851  -7.586   6.779
  301    HA   ASN  41           HA       ASN  41  -5.784  -7.978   6.462
  302   1HB   ASN  41          1HB       ASN  41  -4.918  -5.775   8.257
  303   2HB   ASN  41          2HB       ASN  41  -5.928  -7.136   8.646
  304   1HD2  ASN  41          1HD2      ASN  41  -2.785  -5.756   9.058
  305   2HD2  ASN  41          2HD2      ASN  41  -2.190  -7.128   9.961
  306    H    LEU  42           H        LEU  42  -3.188  -5.986   5.415
  307    HA   LEU  42           HA       LEU  42  -5.047  -3.796   4.562
  308   1HB   LEU  42          1HB       LEU  42  -2.071  -4.043   4.991
  309   2HB   LEU  42          2HB       LEU  42  -2.779  -2.677   4.155
  310    HG   LEU  42           HG       LEU  42  -2.531  -1.819   6.285
  311   1HD1  LEU  42          1HD1      LEU  42  -4.940  -1.649   5.490
  312   2HD1  LEU  42          2HD1      LEU  42  -5.319  -2.971   6.621
  313   3HD1  LEU  42          3HD1      LEU  42  -4.685  -1.439   7.222
  314   1HD2  LEU  42          1HD2      LEU  42  -3.410  -4.450   7.477
  315   2HD2  LEU  42          2HD2      LEU  42  -1.767  -3.806   7.441
  316   3HD2  LEU  42          3HD2      LEU  42  -3.025  -2.994   8.394
  317    H    VAL  43           H        VAL  43  -2.559  -6.037   3.291
  318    HA   VAL  43           HA       VAL  43  -2.787  -5.280   0.589
  319    HB   VAL  43           HB       VAL  43  -1.201  -6.956   1.727
  320   1HG1  VAL  43          1HG1      VAL  43  -3.028  -8.522   2.504
  321   2HG1  VAL  43          2HG1      VAL  43  -3.282  -8.977   0.805
  322   3HG1  VAL  43          3HG1      VAL  43  -1.724  -9.293   1.580
  323   1HG2  VAL  43          1HG2      VAL  43  -2.286  -7.604  -1.042
  324   2HG2  VAL  43          2HG2      VAL  43  -1.074  -6.368  -0.663
  325   3HG2  VAL  43          3HG2      VAL  43  -0.706  -8.073  -0.382
  326    H    LYS  44           H        LYS  44  -4.991  -7.271   2.611
  327    HA   LYS  44           HA       LYS  44  -6.744  -7.907   0.489
  328   1HB   LYS  44          1HB       LYS  44  -8.499  -8.211   2.203
  329   2HB   LYS  44          2HB       LYS  44  -7.031  -9.175   2.405
  330   1HG   LYS  44          1HG       LYS  44  -6.364  -8.111   4.261
  331   2HG   LYS  44          2HG       LYS  44  -7.022  -6.547   3.803
  332   1HD   LYS  44          1HD       LYS  44  -8.904  -8.796   4.503
  333   2HD   LYS  44          2HD       LYS  44  -8.076  -7.902   5.795
  334   1HE   LYS  44          1HE       LYS  44  -8.899  -5.781   5.079
  335   2HE   LYS  44          2HE       LYS  44  -9.567  -6.437   3.577
  336   1HZ   LYS  44          1HZ       LYS  44 -11.152  -7.681   4.874
  337   2HZ   LYS  44          2HZ       LYS  44 -10.512  -7.133   6.285
  338   3HZ   LYS  44          3HZ       LYS  44 -11.262  -6.086   5.261
  339    H    SER  45           H        SER  45  -6.650  -4.935   2.535
  340    HA   SER  45           HA       SER  45  -9.191  -3.937   1.522
  341   1HB   SER  45          1HB       SER  45  -6.923  -2.564   2.989
  342   2HB   SER  45          2HB       SER  45  -8.512  -1.852   2.635
  343    HG   SER  45           HG       SER  45  -8.426  -2.845   4.738
  344    H    VAL  46           H        VAL  46  -5.758  -3.730   0.630
  345    HA   VAL  46           HA       VAL  46  -6.005  -1.741  -1.336
  346    HB   VAL  46           HB       VAL  46  -4.125  -3.961  -0.807
  347   1HG1  VAL  46          1HG1      VAL  46  -4.028  -3.790  -3.223
  348   2HG1  VAL  46          2HG1      VAL  46  -3.867  -2.011  -3.103
  349   3HG1  VAL  46          3HG1      VAL  46  -2.571  -3.075  -2.519
  350   1HG2  VAL  46          1HG2      VAL  46  -3.685  -0.994  -0.766
  351   2HG2  VAL  46          2HG2      VAL  46  -4.130  -1.983   0.649
  352   3HG2  VAL  46          3HG2      VAL  46  -2.594  -2.270  -0.177
  353    H    LYS  47           H        LYS  47  -6.055  -5.306  -1.766
  354    HA   LYS  47           HA       LYS  47  -6.912  -5.250  -4.476
  355   1HB   LYS  47          1HB       LYS  47  -6.910  -7.471  -4.355
  356   2HB   LYS  47          2HB       LYS  47  -6.060  -7.085  -2.856
  357   1HG   LYS  47          1HG       LYS  47  -8.595  -7.181  -1.886
  358   2HG   LYS  47          2HG       LYS  47  -8.854  -8.170  -3.306
  359   1HD   LYS  47          1HD       LYS  47  -6.416  -8.707  -1.596
  360   2HD   LYS  47          2HD       LYS  47  -7.977  -9.009  -0.837
  361   1HE   LYS  47          1HE       LYS  47  -7.207 -10.255  -3.505
  362   2HE   LYS  47          2HE       LYS  47  -6.910 -11.023  -1.938
  363   1HZ   LYS  47          1HZ       LYS  47  -9.269 -10.904  -1.474
  364   2HZ   LYS  47          2HZ       LYS  47  -9.570 -10.235  -2.941
  365   3HZ   LYS  47          3HZ       LYS  47  -8.991 -11.771  -2.841
  366    H    THR  48           H        THR  48  -8.812  -4.923  -1.538
  367    HA   THR  48           HA       THR  48 -11.372  -5.140  -2.838
  368    HB   THR  48           HB       THR  48 -10.459  -4.898  -0.181
  369    HG1  THR  48           HG1      THR  48 -12.777  -5.217   0.158
  370   1HG2  THR  48          1HG2      THR  48 -10.897  -2.421  -0.209
  371   2HG2  THR  48          2HG2      THR  48 -12.578  -2.768  -0.663
  372   3HG2  THR  48          3HG2      THR  48 -11.935  -3.323   0.890
  373    H    GLY  49           H        GLY  49  -9.183  -2.370  -2.429
  374   1HA   GLY  49          1HA       GLY  49  -9.304  -0.297  -3.499
  375   2HA   GLY  49          2HA       GLY  49 -10.850  -0.734  -4.229
  376    H    LEU  50           H        LEU  50  -9.275   0.764  -1.529
  377    HA   LEU  50           HA       LEU  50 -11.542   1.144   0.179
  378   1HB   LEU  50          1HB       LEU  50  -8.967   1.441   0.522
  379   2HB   LEU  50          2HB       LEU  50  -9.234   3.094  -0.030
  380    HG   LEU  50           HG       LEU  50 -10.740   3.433   1.934
  381   1HD1  LEU  50          1HD1      LEU  50 -11.529   1.139   2.403
  382   2HD1  LEU  50          2HD1      LEU  50  -9.853   0.583   2.617
  383   3HD1  LEU  50          3HD1      LEU  50 -10.580   1.706   3.782
  384   1HD2  LEU  50          1HD2      LEU  50  -7.977   2.320   2.566
  385   2HD2  LEU  50          2HD2      LEU  50  -8.331   3.944   1.948
  386   3HD2  LEU  50          3HD2      LEU  50  -8.901   3.467   3.560
  387    H    ASN  51           H        ASN  51 -12.377   3.374   0.656
  388    HA   ASN  51           HA       ASN  51 -14.115   4.108  -1.273
  389   1HB   ASN  51          1HB       ASN  51 -13.087   6.224   0.688
  390   2HB   ASN  51          2HB       ASN  51 -14.697   6.067   0.010
  391   1HD2  ASN  51          1HD2      ASN  51 -12.336   4.937   2.334
  392   2HD2  ASN  51          2HD2      ASN  51 -13.238   3.568   2.933
  393    H    ALA  52           H        ALA  52 -11.354   6.105  -0.477
  394    HA   ALA  52           HA       ALA  52 -11.310   7.444  -3.133
  395   1HB   ALA  52          1HB       ALA  52 -11.258   8.846  -1.150
  396   2HB   ALA  52          2HB       ALA  52  -9.859   7.968  -0.514
  397   3HB   ALA  52          3HB       ALA  52  -9.700   8.962  -1.986
  398    H    MET  53           H        MET  53 -10.359   4.502  -2.485
  399    HA   MET  53           HA       MET  53  -7.775   4.882  -3.951
  400   1HB   MET  53          1HB       MET  53  -7.495   4.150  -1.570
  401   2HB   MET  53          2HB       MET  53  -8.333   2.640  -2.013
  402   1HG   MET  53          1HG       MET  53  -6.652   2.147  -3.690
  403   2HG   MET  53          2HG       MET  53  -5.888   3.702  -3.427
  404   1HE   MET  53          1HE       MET  53  -7.079   1.203  -0.615
  405   2HE   MET  53          2HE       MET  53  -6.509   0.163  -1.935
  406   3HE   MET  53          3HE       MET  53  -5.607   0.211  -0.398
  407    HA   PRO  54           HA       PRO  54  -9.753   2.359  -7.085
  408   1HB   PRO  54          1HB       PRO  54  -7.552   1.781  -8.688
  409   2HB   PRO  54          2HB       PRO  54  -8.407   3.351  -8.675
  410   1HG   PRO  54          1HG       PRO  54  -5.934   2.570  -7.115
  411   2HG   PRO  54          2HG       PRO  54  -6.159   4.014  -8.145
  412   1HD   PRO  54          1HD       PRO  54  -6.447   4.144  -5.502
  413   2HD   PRO  54          2HD       PRO  54  -7.647   4.990  -6.531
  414    HA   PRO  55           HA       PRO  55  -9.280  -1.784  -5.728
  415   1HB   PRO  55          1HB       PRO  55  -9.603  -3.333  -7.974
  416   2HB   PRO  55          2HB       PRO  55 -10.926  -2.421  -7.196
  417   1HG   PRO  55          1HG       PRO  55  -9.234  -1.547  -9.552
  418   2HG   PRO  55          2HG       PRO  55 -11.018  -1.540  -9.427
  419   1HD   PRO  55          1HD       PRO  55  -9.597   0.695  -8.962
  420   2HD   PRO  55          2HD       PRO  55 -10.980   0.303  -7.904
  421    H    GLY  56           H        GLY  56  -7.556  -3.042  -5.152
  422   1HA   GLY  56          1HA       GLY  56  -5.414  -3.901  -5.176
  423   2HA   GLY  56          2HA       GLY  56  -5.389  -3.662  -6.927
  424    H    GLY  57           H        GLY  57  -6.147  -0.785  -5.117
  425   1HA   GLY  57          1HA       GLY  57  -4.968   1.142  -4.787
  426   2HA   GLY  57          2HA       GLY  57  -3.592   0.140  -4.321
  427    H    MET  58           H        MET  58  -5.222   0.104  -7.458
  428    HA   MET  58           HA       MET  58  -4.704   0.720  -9.537
  429   1HB   MET  58          1HB       MET  58  -3.878   2.912  -8.498
  430   2HB   MET  58          2HB       MET  58  -2.246   2.255  -8.642
  431   1HG   MET  58          1HG       MET  58  -3.460   1.790 -11.160
  432   2HG   MET  58          2HG       MET  58  -3.971   3.408 -10.685
  433   1HE   MET  58          1HE       MET  58  -2.285   2.391 -13.243
  434   2HE   MET  58          2HE       MET  58  -2.871   4.061 -13.024
  435   3HE   MET  58          3HE       MET  58  -1.158   3.758 -13.415
  436    H    CYS  59           H        CYS  59  -4.095  -1.721  -8.652
  437    HA   CYS  59           HA       CYS  59  -1.542  -2.538  -9.982
  438   1HB   CYS  59          1HB       CYS  59  -1.824  -3.517  -7.781
  439   2HB   CYS  59          2HB       CYS  59  -3.511  -3.901  -8.154
  440    H    THR  60           H        THR  60  -1.603  -4.067 -11.674
  441    HA   THR  60           HA       THR  60  -4.255  -4.808 -12.846
  442    HB   THR  60           HB       THR  60  -2.948  -5.210 -14.953
  443    HG1  THR  60           HG1      THR  60  -0.897  -4.363 -15.092
  444   1HG2  THR  60          1HG2      THR  60  -4.222  -3.097 -14.644
  445   2HG2  THR  60          2HG2      THR  60  -2.797  -2.344 -13.897
  446   3HG2  THR  60          3HG2      THR  60  -2.750  -2.835 -15.601
  447    H    ASP  61           H        ASP  61  -1.136  -6.177 -13.494
  448    HA   ASP  61           HA       ASP  61  -2.024  -8.859 -12.537
  449   1HB   ASP  61          1HB       ASP  61  -0.060  -7.919 -14.675
  450   2HB   ASP  61          2HB       ASP  61  -0.261  -9.603 -14.169
  451    H    CYS  62           H        CYS  62  -1.475  -7.913 -10.383
  452    HA   CYS  62           HA       CYS  62   1.377  -8.562  -9.739
  453   1HB   CYS  62          1HB       CYS  62  -0.023  -6.971  -7.693
  454   2HB   CYS  62          2HB       CYS  62   1.569  -6.812  -8.425
  455    H    THR  63           H        THR  63   1.789 -10.001  -8.154
  456    HA   THR  63           HA       THR  63  -0.525 -11.430  -6.895
  457    HB   THR  63           HB       THR  63   2.253 -12.413  -7.666
  458    HG1  THR  63           HG1      THR  63   1.094 -13.600  -9.160
  459   1HG2  THR  63          1HG2      THR  63   1.488 -13.685  -5.701
  460   2HG2  THR  63          2HG2      THR  63  -0.125 -13.893  -6.434
  461   3HG2  THR  63          3HG2      THR  63   1.301 -14.673  -7.144
  462    H    ASP  64           H        ASP  64  -0.352 -12.036  -4.665
  463    HA   ASP  64           HA       ASP  64   0.436 -10.483  -2.714
  464   1HB   ASP  64          1HB       ASP  64   0.319 -13.465  -2.967
  465   2HB   ASP  64          2HB       ASP  64   0.691 -12.673  -1.429
  466    H    GLU  65           H        GLU  65   2.801 -12.785  -4.174
  467    HA   GLU  65           HA       GLU  65   5.018 -12.343  -2.579
  468   1HB   GLU  65          1HB       GLU  65   6.332 -12.898  -4.583
  469   2HB   GLU  65          2HB       GLU  65   4.904 -13.922  -4.396
  470   1HG   GLU  65          1HG       GLU  65   3.748 -12.226  -6.041
  471   2HG   GLU  65          2HG       GLU  65   5.395 -11.737  -6.443
  472    H    ASP  66           H        ASP  66   4.102 -10.258  -5.361
  473    HA   ASP  66           HA       ASP  66   6.026  -8.189  -4.564
  474   1HB   ASP  66          1HB       ASP  66   4.605  -8.891  -7.035
  475   2HB   ASP  66          2HB       ASP  66   4.514  -7.164  -6.671
  476    H    TYR  67           H        TYR  67   2.465  -8.609  -4.520
  477    HA   TYR  67           HA       TYR  67   1.785  -5.945  -3.809
  478   1HB   TYR  67          1HB       TYR  67   0.598  -8.650  -3.722
  479   2HB   TYR  67          2HB       TYR  67  -0.023  -7.607  -2.472
  480    HD1  TYR  67           HD1      TYR  67  -0.454  -5.034  -3.541
  481    HD2  TYR  67           HD2      TYR  67  -0.992  -8.908  -5.363
  482    HE1  TYR  67           HE1      TYR  67  -2.372  -4.167  -4.862
  483    HE2  TYR  67           HE2      TYR  67  -2.943  -8.057  -6.600
  484    HH   TYR  67           HH       TYR  67  -4.290  -6.310  -6.973
  485    H    LYS  68           H        LYS  68   2.706  -8.692  -1.766
  486    HA   LYS  68           HA       LYS  68   2.288  -7.277   0.734
  487   1HB   LYS  68          1HB       LYS  68   2.908  -9.171   1.851
  488   2HB   LYS  68          2HB       LYS  68   2.128  -9.803   0.399
  489   1HG   LYS  68          1HG       LYS  68   4.497 -10.186  -0.537
  490   2HG   LYS  68          2HG       LYS  68   5.112  -9.641   1.013
  491   1HD   LYS  68          1HD       LYS  68   3.043 -11.662   1.418
  492   2HD   LYS  68          2HD       LYS  68   4.234 -12.275   0.281
  493   1HE   LYS  68          1HE       LYS  68   4.913 -10.997   2.987
  494   2HE   LYS  68          2HE       LYS  68   4.697 -12.739   2.758
  495   1HZ   LYS  68          1HZ       LYS  68   6.536 -12.690   1.202
  496   2HZ   LYS  68          2HZ       LYS  68   6.699 -11.043   1.406
  497   3HZ   LYS  68          3HZ       LYS  68   7.013 -12.044   2.647
  498    H    ALA  69           H        ALA  69   5.164  -8.309  -1.205
  499    HA   ALA  69           HA       ALA  69   7.162  -7.134   0.341
  500   1HB   ALA  69          1HB       ALA  69   7.679  -8.613  -1.434
  501   2HB   ALA  69          2HB       ALA  69   6.936  -7.528  -2.623
  502   3HB   ALA  69          3HB       ALA  69   8.438  -7.048  -1.792
  503    H    ALA  70           H        ALA  70   4.939  -5.615  -1.953
  504    HA   ALA  70           HA       ALA  70   6.234  -3.055  -2.155
  505   1HB   ALA  70          1HB       ALA  70   4.569  -3.811  -3.785
  506   2HB   ALA  70          2HB       ALA  70   3.300  -3.771  -2.544
  507   3HB   ALA  70          3HB       ALA  70   4.086  -2.273  -3.050
  508    H    ILE  71           H        ILE  71   3.582  -4.227  -0.075
  509    HA   ILE  71           HA       ILE  71   3.392  -1.856   1.598
  510    HB   ILE  71           HB       ILE  71   2.406  -4.691   1.616
  511   1HG1  ILE  71          1HG1      ILE  71   0.726  -2.300   2.042
  512   2HG1  ILE  71          2HG1      ILE  71   1.411  -2.608   0.440
  513   1HG2  ILE  71          1HG2      ILE  71   2.998  -4.476   3.951
  514   2HG2  ILE  71          2HG2      ILE  71   2.262  -2.857   4.006
  515   3HG2  ILE  71          3HG2      ILE  71   1.253  -4.308   3.770
  516   1HD1  ILE  71          1HD1      ILE  71   0.390  -4.850   0.432
  517   2HD1  ILE  71          2HD1      ILE  71  -0.294  -4.558   2.048
  518   3HD1  ILE  71          3HD1      ILE  71  -0.829  -3.585   0.665
  519    H    GLU  72           H        GLU  72   5.210  -4.886   1.895
  520    HA   GLU  72           HA       GLU  72   6.482  -4.397   4.400
  521   1HB   GLU  72          1HB       GLU  72   7.433  -6.124   2.144
  522   2HB   GLU  72          2HB       GLU  72   8.124  -6.058   3.757
  523   1HG   GLU  72          1HG       GLU  72   5.934  -6.751   4.737
  524   2HG   GLU  72          2HG       GLU  72   5.291  -7.007   3.127
  525    H    PHE  73           H        PHE  73   7.409  -3.379   1.117
  526    HA   PHE  73           HA       PHE  73   9.949  -2.382   1.634
  527   1HB   PHE  73          1HB       PHE  73   8.782  -2.393  -0.565
  528   2HB   PHE  73          2HB       PHE  73   7.793  -1.040  -0.027
  529    HD1  PHE  73           HD1      PHE  73  11.028  -2.017  -1.387
  530    HD2  PHE  73           HD2      PHE  73   8.812   1.206   0.437
  531    HE1  PHE  73           HE1      PHE  73  12.724  -0.386  -2.182
  532    HE2  PHE  73           HE2      PHE  73  10.545   2.813  -0.309
  533    HZ   PHE  73           HZ       PHE  73  12.459   2.024  -1.692
  534    H    MET  74           H        MET  74   6.839  -0.786   2.466
  535    HA   MET  74           HA       MET  74   8.160   1.636   3.393
  536   1HB   MET  74          1HB       MET  74   5.370   0.553   3.731
  537   2HB   MET  74          2HB       MET  74   5.875   2.142   4.363
  538   1HG   MET  74          1HG       MET  74   4.840   2.700   2.361
  539   2HG   MET  74          2HG       MET  74   6.505   2.586   1.815
  540   1HE   MET  74          1HE       MET  74   2.792   1.525   1.145
  541   2HE   MET  74          2HE       MET  74   3.715   2.592   0.040
  542   3HE   MET  74          3HE       MET  74   3.199   0.968  -0.472
  543    H    SER  75           H        SER  75   6.129  -0.706   5.179
  544    HA   SER  75           HA       SER  75   8.049  -1.196   7.260
  545   1HB   SER  75          1HB       SER  75   7.397   1.225   7.783
  546   2HB   SER  75          2HB       SER  75   5.779   0.618   8.159
  547    HG   SER  75           HG       SER  75   7.075   0.683  10.032
  548    H    LYS  76           H        LYS  76   6.522  -2.866   5.684
  549    HA   LYS  76           HA       LYS  76   4.952  -4.590   5.737
  550   1HB   LYS  76          1HB       LYS  76   5.512  -6.263   7.316
  551   2HB   LYS  76          2HB       LYS  76   6.984  -5.518   6.704
  552   1HG   LYS  76          1HG       LYS  76   7.612  -4.727   8.757
  553   2HG   LYS  76          2HG       LYS  76   5.972  -4.306   9.235
  554   1HD   LYS  76          1HD       LYS  76   6.789  -6.080  10.651
  555   2HD   LYS  76          2HD       LYS  76   5.393  -6.612   9.712
  556   1HE   LYS  76          1HE       LYS  76   6.569  -8.209   8.567
  557   2HE   LYS  76          2HE       LYS  76   7.976  -7.166   8.342
  558   1HZ   LYS  76          1HZ       LYS  76   8.635  -7.620  10.593
  559   2HZ   LYS  76          2HZ       LYS  76   7.332  -8.595  10.839
  560   3HZ   LYS  76          3HZ       LYS  76   8.492  -9.026   9.750
  561    H    ALA  77           H        ALA  77   3.342  -2.804   5.904
  562    HA   ALA  77           HA       ALA  77   1.262  -3.948   7.550
  563   1HB   ALA  77          1HB       ALA  77   2.334  -2.664   9.300
  564   2HB   ALA  77          2HB       ALA  77   2.228  -1.182   8.354
  565   3HB   ALA  77          3HB       ALA  77   0.756  -2.022   8.872
  566    H    LYS  78           H        LYS  78   1.505  -0.570   6.455
  567    HA   LYS  78           HA       LYS  78  -0.934  -1.097   4.848
  568   1HB   LYS  78          1HB       LYS  78  -1.838   0.846   5.545
  569   2HB   LYS  78          2HB       LYS  78  -0.856   0.415   6.918
  570   1HG   LYS  78          1HG       LYS  78  -0.074   2.543   6.842
  571   2HG   LYS  78          2HG       LYS  78   0.882   1.968   5.497
  572   1HD   LYS  78          1HD       LYS  78  -1.535   2.617   4.234
  573   2HD   LYS  78          2HD       LYS  78  -1.487   3.763   5.575
  574   1HE   LYS  78          1HE       LYS  78  -0.372   4.918   3.812
  575   2HE   LYS  78          2HE       LYS  78   0.913   4.319   4.820
  576   1HZ   LYS  78          1HZ       LYS  78   0.778   2.294   3.217
  577   2HZ   LYS  78          2HZ       LYS  78  -0.042   3.207   2.236
  578   3HZ   LYS  78          3HZ       LYS  78   1.502   3.667   2.611
  579    HHA  HEC  90           HHA      HEC  90  -5.993   4.194   3.299
  580    HHB  HEC  90           HHB      HEC  90  -1.496   0.030   1.130
  581    HHC  HEC  90           HHC      HEC  90  -1.862   2.879  -4.668
  582    HHD  HEC  90           HHD      HEC  90  -5.624   7.497  -2.181
  583   1HMA  HEC  90          1HMA      HEC  90  -3.854  -1.042   2.921
  584   2HMA  HEC  90          2HMA      HEC  90  -2.163  -0.553   3.109
  585   3HMA  HEC  90          3HMA      HEC  90  -3.318  -0.276   4.429
  586   1HAA  HEC  90          1HAA      HEC  90  -5.199   0.904   4.969
  587   2HAA  HEC  90          2HAA      HEC  90  -6.147   2.294   4.500
  588   1HBA  HEC  90          1HBA      HEC  90  -4.128   3.738   5.151
  589   2HBA  HEC  90          2HBA      HEC  90  -3.457   2.288   5.901
  590   1HMB  HEC  90          1HMB      HEC  90  -0.553  -1.547  -1.065
  591   2HMB  HEC  90          2HMB      HEC  90   0.863  -0.715  -1.710
  592   3HMB  HEC  90          3HMB      HEC  90   0.387  -0.426  -0.056
  593    HAB  HEC  90           HAB      HEC  90  -0.504   1.304  -4.823
  594   1HBB  HEC  90          1HBB      HEC  90  -1.463  -0.957  -4.651
  595   2HBB  HEC  90          2HBB      HEC  90   0.182  -0.941  -5.303
  596   3HBB  HEC  90          3HBB      HEC  90  -0.100  -1.457  -3.634
  597   1HMC  HEC  90          1HMC      HEC  90  -3.847   4.950  -6.743
  598   2HMC  HEC  90          2HMC      HEC  90  -2.403   5.924  -6.361
  599   3HMC  HEC  90          3HMC      HEC  90  -2.363   4.163  -6.278
  600    HAC  HEC  90           HAC      HEC  90  -5.737   7.629  -4.281
  601   1HBC  HEC  90          1HBC      HEC  90  -5.779   6.241  -6.374
  602   2HBC  HEC  90          2HBC      HEC  90  -5.880   8.008  -6.531
  603   3HBC  HEC  90          3HBC      HEC  90  -4.356   7.189  -6.889
  604   1HMD  HEC  90          1HMD      HEC  90  -7.593   8.136  -0.922
  605   2HMD  HEC  90          2HMD      HEC  90  -7.692   8.574   0.792
  606   3HMD  HEC  90          3HMD      HEC  90  -6.278   9.033  -0.151
  607   1HAD  HEC  90          1HAD      HEC  90  -7.576   5.689   3.284
  608   2HAD  HEC  90          2HAD      HEC  90  -8.505   6.551   2.082
  609   1HBD  HEC  90          1HBD      HEC  90  -8.195   8.473   3.185
  610   2HBD  HEC  90          2HBD      HEC  90  -6.446   8.342   3.049
  Start of MODEL    4
    1   1H    ALA  -3          1H        ALA  -3   2.844  -8.219 -16.160
    2   2H    ALA  -3          2H        ALA  -3   1.532  -8.227 -17.150
    3   3H    ALA  -3          3H        ALA  -3   2.899  -7.404 -17.588
    4    HA   ALA  -3           HA       ALA  -3   1.218  -5.880 -16.887
    5   1HB   ALA  -3          1HB       ALA  -3  -0.032  -7.322 -15.408
    6   2HB   ALA  -3          2HB       ALA  -3   1.335  -7.478 -14.302
    7   3HB   ALA  -3          3HB       ALA  -3   0.510  -5.908 -14.489
    8    H    ASP  -2           H        ASP  -2   2.759  -5.999 -13.767
    9    HA   ASP  -2           HA       ASP  -2   5.312  -4.869 -14.653
   10   1HB   ASP  -2          1HB       ASP  -2   3.349  -3.071 -14.669
   11   2HB   ASP  -2          2HB       ASP  -2   3.490  -3.148 -12.910
   12    H    LEU  -1           H        LEU  -1   4.317  -7.181 -13.116
   13    HA   LEU  -1           HA       LEU  -1   5.123  -6.660 -10.297
   14   1HB   LEU  -1          1HB       LEU  -1   3.778  -8.993 -11.717
   15   2HB   LEU  -1          2HB       LEU  -1   4.377  -9.095 -10.062
   16    HG   LEU  -1           HG       LEU  -1   1.957  -8.748 -10.238
   17   1HD1  LEU  -1          1HD1      LEU  -1   2.775  -8.295  -8.148
   18   2HD1  LEU  -1          2HD1      LEU  -1   3.684  -6.873  -8.665
   19   3HD1  LEU  -1          3HD1      LEU  -1   1.922  -6.791  -8.524
   20   1HD2  LEU  -1          1HD2      LEU  -1   2.610  -5.960 -11.257
   21   2HD2  LEU  -1          2HD2      LEU  -1   1.737  -7.253 -12.100
   22   3HD2  LEU  -1          3HD2      LEU  -1   1.041  -6.487 -10.667
   23    H    GLN   1           H        GLN   1   7.178  -6.124 -11.511
   24    HA   GLN   1           HA       GLN   1   8.923  -8.553 -11.438
   25   1HB   GLN   1          1HB       GLN   1   8.758  -6.323 -13.385
   26   2HB   GLN   1          2HB       GLN   1  10.365  -6.409 -12.669
   27   1HG   GLN   1          1HG       GLN   1  10.273  -7.734 -14.704
   28   2HG   GLN   1          2HG       GLN   1  10.581  -8.769 -13.306
   29   1HE2  GLN   1          1HE2      GLN   1   9.120 -10.462 -12.880
   30   2HE2  GLN   1          2HE2      GLN   1   7.657 -10.695 -13.820
   31    H    ASP   2           H        ASP   2   8.344  -5.453 -10.032
   32    HA   ASP   2           HA       ASP   2  10.307  -6.067  -7.973
   33   1HB   ASP   2          1HB       ASP   2  11.622  -4.868  -9.743
   34   2HB   ASP   2          2HB       ASP   2  10.554  -3.468  -9.539
   35    H    ALA   3           H        ALA   3   8.935  -5.980  -6.347
   36    HA   ALA   3           HA       ALA   3   6.795  -4.565  -5.604
   37   1HB   ALA   3          1HB       ALA   3   8.033  -6.121  -4.216
   38   2HB   ALA   3          2HB       ALA   3   9.316  -4.921  -3.940
   39   3HB   ALA   3          3HB       ALA   3   7.679  -4.618  -3.333
   40    H    GLU   4           H        GLU   4  10.102  -3.076  -5.744
   41    HA   GLU   4           HA       GLU   4   9.223  -0.553  -4.674
   42   1HB   GLU   4          1HB       GLU   4  11.528  -0.972  -4.508
   43   2HB   GLU   4          2HB       GLU   4  11.709  -1.266  -6.246
   44   1HG   GLU   4          1HG       GLU   4  11.618   0.993  -6.782
   45   2HG   GLU   4          2HG       GLU   4  10.498   1.384  -5.473
   46    H    ALA   5           H        ALA   5   9.519  -1.885  -7.986
   47    HA   ALA   5           HA       ALA   5   8.809   0.661  -9.241
   48   1HB   ALA   5          1HB       ALA   5  10.083  -1.064 -10.440
   49   2HB   ALA   5          2HB       ALA   5   8.674  -2.155 -10.374
   50   3HB   ALA   5          3HB       ALA   5   8.579  -0.633 -11.282
   51    H    ILE   6           H        ILE   6   7.036  -2.168  -8.029
   52    HA   ILE   6           HA       ILE   6   4.486  -1.409  -9.080
   53    HB   ILE   6           HB       ILE   6   5.553  -3.292  -7.053
   54   1HG1  ILE   6          1HG1      ILE   6   4.924  -3.904  -9.361
   55   2HG1  ILE   6          2HG1      ILE   6   4.169  -4.860  -8.088
   56   1HG2  ILE   6          1HG2      ILE   6   4.036  -2.350  -5.479
   57   2HG2  ILE   6          2HG2      ILE   6   2.709  -2.307  -6.648
   58   3HG2  ILE   6          3HG2      ILE   6   3.349  -3.858  -6.061
   59   1HD1  ILE   6          1HD1      ILE   6   2.039  -3.580  -8.351
   60   2HD1  ILE   6          2HD1      ILE   6   2.779  -2.633  -9.663
   61   3HD1  ILE   6          3HD1      ILE   6   2.536  -4.366  -9.838
   62    H    TYR   7           H        TYR   7   5.918  -0.724  -5.764
   63    HA   TYR   7           HA       TYR   7   3.605   0.910  -5.249
   64   1HB   TYR   7          1HB       TYR   7   4.337   1.329  -3.164
   65   2HB   TYR   7          2HB       TYR   7   5.189  -0.162  -3.505
   66    HD1  TYR   7           HD1      TYR   7   5.502   3.571  -3.380
   67    HD2  TYR   7           HD2      TYR   7   7.557  -0.203  -3.198
   68    HE1  TYR   7           HE1      TYR   7   7.682   4.761  -3.270
   69    HE2  TYR   7           HE2      TYR   7   9.740   1.004  -3.074
   70    HH   TYR   7           HH       TYR   7  10.790   3.039  -3.490
   71    H    ASN   8           H        ASN   8   6.814   1.650  -6.462
   72    HA   ASN   8           HA       ASN   8   6.593   4.471  -6.410
   73   1HB   ASN   8          1HB       ASN   8   8.700   3.138  -6.410
   74   2HB   ASN   8          2HB       ASN   8   8.366   2.663  -8.091
   75   1HD2  ASN   8          1HD2      ASN   8  10.201   3.570  -8.997
   76   2HD2  ASN   8          2HD2      ASN   8  10.489   5.305  -8.972
   77    H    LYS   9           H        LYS   9   5.445   2.134  -8.814
   78    HA   LYS   9           HA       LYS   9   4.583   4.423 -10.492
   79   1HB   LYS   9          1HB       LYS   9   5.715   2.265 -11.328
   80   2HB   LYS   9          2HB       LYS   9   4.114   1.544 -11.218
   81   1HG   LYS   9          1HG       LYS   9   4.535   4.237 -12.632
   82   2HG   LYS   9          2HG       LYS   9   5.116   2.782 -13.403
   83   1HD   LYS   9          1HD       LYS   9   2.196   3.240 -12.600
   84   2HD   LYS   9          2HD       LYS   9   2.899   3.454 -14.206
   85   1HE   LYS   9          1HE       LYS   9   3.824   0.964 -13.632
   86   2HE   LYS   9          2HE       LYS   9   2.344   0.902 -12.677
   87   1HZ   LYS   9          1HZ       LYS   9   1.142   1.420 -14.716
   88   2HZ   LYS   9          2HZ       LYS   9   2.562   1.520 -15.557
   89   3HZ   LYS   9          3HZ       LYS   9   2.100   0.083 -14.917
   90    H    ALA  10           H        ALA  10   3.245   2.274  -8.102
   91    HA   ALA  10           HA       ALA  10   0.442   2.913  -8.984
   92   1HB   ALA  10          1HB       ALA  10   1.029   0.506  -8.821
   93   2HB   ALA  10          2HB       ALA  10   1.307   0.717  -7.078
   94   3HB   ALA  10          3HB       ALA  10  -0.295   1.012  -7.755
   95    H    CYS  11           H        CYS  11   2.083   2.350  -5.820
   96    HA   CYS  11           HA       CYS  11   0.173   4.063  -4.425
   97   1HB   CYS  11          1HB       CYS  11   2.631   3.042  -3.114
   98   2HB   CYS  11          2HB       CYS  11   0.983   3.132  -2.502
   99    H    THR  12           H        THR  12   1.512   5.477  -6.411
  100    HA   THR  12           HA       THR  12   3.604   7.106  -5.035
  101    HB   THR  12           HB       THR  12   4.313   5.537  -6.867
  102    HG1  THR  12           HG1      THR  12   4.627   8.267  -7.425
  103   1HG2  THR  12          1HG2      THR  12   2.333   5.884  -8.388
  104   2HG2  THR  12          2HG2      THR  12   2.843   7.562  -8.657
  105   3HG2  THR  12          3HG2      THR  12   3.863   6.247  -9.201
  106    H    VAL  13           H        VAL  13   0.523   7.335  -6.046
  107    HA   VAL  13           HA       VAL  13   0.753  10.001  -7.332
  108    HB   VAL  13           HB       VAL  13  -1.683   8.191  -7.041
  109   1HG1  VAL  13          1HG1      VAL  13  -2.045  10.547  -7.709
  110   2HG1  VAL  13          2HG1      VAL  13  -0.853  10.342  -9.017
  111   3HG1  VAL  13          3HG1      VAL  13  -2.389   9.437  -9.057
  112   1HG2  VAL  13          1HG2      VAL  13   0.418   8.168  -9.256
  113   2HG2  VAL  13          2HG2      VAL  13   0.008   6.815  -8.179
  114   3HG2  VAL  13          3HG2      VAL  13  -1.173   7.386  -9.351
  115    H    CYS  14           H        CYS  14  -0.795   8.271  -4.722
  116    HA   CYS  14           HA       CYS  14  -1.848  10.671  -3.362
  117   1HB   CYS  14          1HB       CYS  14  -2.173   7.682  -3.307
  118   2HB   CYS  14          2HB       CYS  14  -2.838   8.677  -2.013
  119    H    HIS  15           H        HIS  15  -0.060   7.713  -2.460
  120    HA   HIS  15           HA       HIS  15   0.459   8.632   0.206
  121   1HB   HIS  15          1HB       HIS  15   1.453   6.320  -1.507
  122   2HB   HIS  15          2HB       HIS  15   1.990   6.559   0.147
  123    HD1  HIS  15           HD1      HIS  15   0.792   5.212   1.780
  124    HD2  HIS  15           HD2      HIS  15  -1.449   6.050  -1.656
  125    HE1  HIS  15           HE1      HIS  15  -1.272   3.751   1.925
  126    H    SER  16           H        SER  16   2.281   9.008  -2.716
  127    HA   SER  16           HA       SER  16   4.929   9.171  -1.675
  128   1HB   SER  16          1HB       SER  16   4.318   8.911  -4.063
  129   2HB   SER  16          2HB       SER  16   3.798  10.605  -4.126
  130    HG   SER  16           HG       SER  16   6.051  10.099  -4.759
  131    H    MET  17           H        MET  17   2.570  11.745  -2.426
  132    HA   MET  17           HA       MET  17   4.168  13.732  -0.885
  133   1HB   MET  17          1HB       MET  17   3.202  13.890  -3.396
  134   2HB   MET  17          2HB       MET  17   1.774  14.427  -2.526
  135   1HG   MET  17          1HG       MET  17   2.738  16.426  -2.850
  136   2HG   MET  17          2HG       MET  17   3.596  16.061  -1.351
  137   1HE   MET  17          1HE       MET  17   4.130  18.066  -4.032
  138   2HE   MET  17          2HE       MET  17   5.038  18.234  -2.505
  139   3HE   MET  17          3HE       MET  17   5.906  18.047  -4.051
  140    H    GLY  18           H        GLY  18   1.184  11.859  -0.751
  141   1HA   GLY  18          1HA       GLY  18  -0.220  11.600   1.074
  142   2HA   GLY  18          2HA       GLY  18   0.406  13.057   1.838
  143    H    VAL  19           H        VAL  19  -1.152  12.226  -1.286
  144    HA   VAL  19           HA       VAL  19  -2.930  14.616  -1.120
  145    HB   VAL  19           HB       VAL  19  -2.211  12.844  -3.490
  146   1HG1  VAL  19          1HG1      VAL  19  -4.418  13.760  -3.906
  147   2HG1  VAL  19          2HG1      VAL  19  -3.905  15.371  -3.334
  148   3HG1  VAL  19          3HG1      VAL  19  -3.250  14.689  -4.835
  149   1HG2  VAL  19          1HG2      VAL  19  -1.347  15.666  -2.738
  150   2HG2  VAL  19          2HG2      VAL  19  -0.334  14.207  -2.764
  151   3HG2  VAL  19          3HG2      VAL  19  -0.980  14.847  -4.275
  152    H    ALA  20           H        ALA  20  -5.165  14.285  -1.817
  153    HA   ALA  20           HA       ALA  20  -7.225  13.401  -1.432
  154   1HB   ALA  20          1HB       ALA  20  -6.503  11.862  -3.214
  155   2HB   ALA  20          2HB       ALA  20  -5.936  10.714  -1.983
  156   3HB   ALA  20          3HB       ALA  20  -7.656  11.121  -2.089
  157    H    GLY  21           H        GLY  21  -5.171  13.501   0.845
  158   1HA   GLY  21          1HA       GLY  21  -5.404  13.258   3.159
  159   2HA   GLY  21          2HA       GLY  21  -6.799  12.197   2.940
  160    H    ALA  22           H        ALA  22  -4.270  11.143   0.898
  161    HA   ALA  22           HA       ALA  22  -4.099   8.685   2.137
  162   1HB   ALA  22          1HB       ALA  22  -3.666   9.142  -0.185
  163   2HB   ALA  22          2HB       ALA  22  -2.155   9.994   0.206
  164   3HB   ALA  22          3HB       ALA  22  -2.291   8.249   0.475
  165    HA   PRO  23           HA       PRO  23  -1.234   9.030   5.490
  166   1HB   PRO  23          1HB       PRO  23  -0.331   6.532   5.726
  167   2HB   PRO  23          2HB       PRO  23  -2.079   6.915   5.950
  168   1HG   PRO  23          1HG       PRO  23  -0.715   5.882   3.469
  169   2HG   PRO  23          2HG       PRO  23  -2.174   5.190   4.220
  170   1HD   PRO  23          1HD       PRO  23  -2.405   6.876   2.179
  171   2HD   PRO  23          2HD       PRO  23  -3.541   6.968   3.558
  172    H    LYS  24           H        LYS  24   1.073   9.046   5.964
  173    HA   LYS  24           HA       LYS  24   2.551   9.840   3.601
  174   1HB   LYS  24          1HB       LYS  24   3.571   9.436   6.429
  175   2HB   LYS  24          2HB       LYS  24   4.440  10.195   5.097
  176   1HG   LYS  24          1HG       LYS  24   2.611  11.874   4.869
  177   2HG   LYS  24          2HG       LYS  24   1.840  11.219   6.326
  178   1HD   LYS  24          1HD       LYS  24   3.695  11.909   7.731
  179   2HD   LYS  24          2HD       LYS  24   4.754  12.099   6.341
  180   1HE   LYS  24          1HE       LYS  24   4.219  14.303   7.050
  181   2HE   LYS  24          2HE       LYS  24   3.396  14.016   5.514
  182   1HZ   LYS  24          1HZ       LYS  24   1.375  13.554   6.808
  183   2HZ   LYS  24          2HZ       LYS  24   2.170  13.925   8.200
  184   3HZ   LYS  24          3HZ       LYS  24   1.931  15.079   7.055
  185    H    SER  25           H        SER  25   3.966   8.814   2.388
  186    HA   SER  25           HA       SER  25   4.522   6.279   1.876
  187   1HB   SER  25          1HB       SER  25   5.563   8.179   0.743
  188   2HB   SER  25          2HB       SER  25   6.613   8.482   2.142
  189    HG   SER  25           HG       SER  25   7.652   7.204   0.500
  190    H    HIS  26           H        HIS  26   6.066   7.940   4.636
  191    HA   HIS  26           HA       HIS  26   6.362   5.365   5.976
  192   1HB   HIS  26          1HB       HIS  26   8.604   5.499   6.543
  193   2HB   HIS  26          2HB       HIS  26   8.551   5.766   4.804
  194    HD1  HIS  26           HD1      HIS  26  10.313   7.011   7.656
  195    HD2  HIS  26           HD2      HIS  26   8.273   8.837   4.462
  196    HE1  HIS  26           HE1      HIS  26  11.105   9.435   7.570
  197    H    ASN  27           H        ASN  27   4.928   5.788   7.509
  198    HA   ASN  27           HA       ASN  27   5.407   8.096   9.362
  199   1HB   ASN  27          1HB       ASN  27   2.893   7.201   8.020
  200   2HB   ASN  27          2HB       ASN  27   2.819   7.200   9.807
  201   1HD2  ASN  27          1HD2      ASN  27   1.021   8.796   8.244
  202   2HD2  ASN  27          2HD2      ASN  27   1.507  10.424   8.664
  203    H    THR  28           H        THR  28   5.180   7.459  11.618
  204    HA   THR  28           HA       THR  28   5.293   4.469  12.049
  205    HB   THR  28           HB       THR  28   6.105   6.789  13.826
  206    HG1  THR  28           HG1      THR  28   8.093   5.267  13.286
  207   1HG2  THR  28          1HG2      THR  28   5.397   4.885  15.227
  208   2HG2  THR  28          2HG2      THR  28   6.357   3.771  14.230
  209   3HG2  THR  28          3HG2      THR  28   7.158   5.013  15.216
  210    H    ALA  29           H        ALA  29   3.509   7.409  13.097
  211    HA   ALA  29           HA       ALA  29   1.794   5.915  14.880
  212   1HB   ALA  29          1HB       ALA  29   2.415   8.231  15.237
  213   2HB   ALA  29          2HB       ALA  29   1.564   8.711  13.743
  214   3HB   ALA  29          3HB       ALA  29   0.649   8.044  15.121
  215    H    ASP  30           H        ASP  30   1.615   6.721  11.501
  216    HA   ASP  30           HA       ASP  30  -1.254   6.213  11.160
  217   1HB   ASP  30          1HB       ASP  30   0.301   7.966  10.075
  218   2HB   ASP  30          2HB       ASP  30   0.942   6.605   9.105
  219    H    TRP  31           H        TRP  31   1.773   4.500  11.063
  220    HA   TRP  31           HA       TRP  31   0.697   2.144   9.618
  221   1HB   TRP  31          1HB       TRP  31   3.489   2.987  10.371
  222   2HB   TRP  31          2HB       TRP  31   3.093   1.420   9.671
  223    HD1  TRP  31           HD1      TRP  31   2.608   5.139   8.740
  224    HE1  TRP  31           HE1      TRP  31   2.773   5.492   6.196
  225    HE3  TRP  31           HE3      TRP  31   3.673   0.335   7.329
  226    HZ2  TRP  31           HZ2      TRP  31   2.929   3.848   3.886
  227    HZ3  TRP  31           HZ3      TRP  31   3.477  -0.272   4.908
  228    HH2  TRP  31           HH2      TRP  31   3.030   1.424   3.242
  229    H    GLU  32           H        GLU  32   1.937   3.129  12.908
  230    HA   GLU  32           HA       GLU  32   1.891   0.760  14.258
  231   1HB   GLU  32          1HB       GLU  32   1.212   3.573  14.944
  232   2HB   GLU  32          2HB       GLU  32   0.517   2.361  16.024
  233   1HG   GLU  32          1HG       GLU  32   2.733   1.354  16.393
  234   2HG   GLU  32          2HG       GLU  32   3.470   2.604  15.369
  235    HA   PRO  33           HA       PRO  33  -2.818   0.409  14.819
  236   1HB   PRO  33          1HB       PRO  33  -4.601   2.091  13.601
  237   2HB   PRO  33          2HB       PRO  33  -3.736   2.494  15.104
  238   1HG   PRO  33          1HG       PRO  33  -2.941   3.312  12.293
  239   2HG   PRO  33          2HG       PRO  33  -3.124   4.355  13.731
  240   1HD   PRO  33          1HD       PRO  33  -0.746   3.374  12.922
  241   2HD   PRO  33          2HD       PRO  33  -1.134   3.538  14.662
  242    H    ARG  34           H        ARG  34  -1.063   0.047  12.190
  243    HA   ARG  34           HA       ARG  34  -3.047  -1.767  10.900
  244   1HB   ARG  34          1HB       ARG  34  -0.826  -0.114   9.621
  245   2HB   ARG  34          2HB       ARG  34  -1.569  -1.521   8.878
  246   1HG   ARG  34          1HG       ARG  34  -2.801   0.275   7.984
  247   2HG   ARG  34          2HG       ARG  34  -3.845  -0.400   9.205
  248   1HD   ARG  34          1HD       ARG  34  -2.149   1.706  10.363
  249   2HD   ARG  34          2HD       ARG  34  -2.936   2.275   8.899
  250    HE   ARG  34           HE       ARG  34  -4.576   0.903  10.958
  251   1HH1  ARG  34          2HH1      ARG  34  -3.501   4.075   9.913
  252   2HH1  ARG  34          1HH1      ARG  34  -5.032   4.850  10.217
  253   1HH2  ARG  34          1HH2      ARG  34  -6.594   1.901  11.324
  254   2HH2  ARG  34          2HH2      ARG  34  -6.756   3.623  11.134
  255    H    LEU  35           H        LEU  35   0.372  -1.224  11.797
  256    HA   LEU  35           HA       LEU  35   1.358  -3.844  11.450
  257   1HB   LEU  35          1HB       LEU  35   2.320  -1.334  12.230
  258   2HB   LEU  35          2HB       LEU  35   2.503  -2.266  13.701
  259    HG   LEU  35           HG       LEU  35   3.549  -3.133  10.967
  260   1HD1  LEU  35          1HD1      LEU  35   4.564  -0.983  11.606
  261   2HD1  LEU  35          2HD1      LEU  35   5.027  -1.661  13.181
  262   3HD1  LEU  35          3HD1      LEU  35   5.741  -2.300  11.683
  263   1HD2  LEU  35          1HD2      LEU  35   4.238  -4.052  13.786
  264   2HD2  LEU  35          2HD2      LEU  35   3.397  -5.001  12.533
  265   3HD2  LEU  35          3HD2      LEU  35   5.089  -4.544  12.304
  266    H    ALA  36           H        ALA  36  -1.017  -2.797  13.624
  267    HA   ALA  36           HA       ALA  36  -0.405  -4.688  15.792
  268   1HB   ALA  36          1HB       ALA  36  -1.294  -2.457  16.351
  269   2HB   ALA  36          2HB       ALA  36  -2.725  -2.760  15.341
  270   3HB   ALA  36          3HB       ALA  36  -2.445  -3.732  16.803
  271    H    LYS  37           H        LYS  37  -2.340  -4.334  12.874
  272    HA   LYS  37           HA       LYS  37  -4.135  -6.556  13.488
  273   1HB   LYS  37          1HB       LYS  37  -3.664  -4.951  10.950
  274   2HB   LYS  37          2HB       LYS  37  -4.908  -6.191  11.153
  275   1HG   LYS  37          1HG       LYS  37  -6.092  -4.843  12.790
  276   2HG   LYS  37          2HG       LYS  37  -4.729  -3.733  12.950
  277   1HD   LYS  37          1HD       LYS  37  -6.258  -2.560  11.603
  278   2HD   LYS  37          2HD       LYS  37  -4.980  -3.120  10.521
  279   1HE   LYS  37          1HE       LYS  37  -6.585  -5.170  10.061
  280   2HE   LYS  37          2HE       LYS  37  -7.823  -4.179  10.839
  281   1HZ   LYS  37          1HZ       LYS  37  -7.344  -2.467   9.156
  282   2HZ   LYS  37          2HZ       LYS  37  -6.255  -3.467   8.440
  283   3HZ   LYS  37          3HZ       LYS  37  -7.846  -3.875   8.469
  284    H    GLY  38           H        GLY  38  -1.551  -5.776  11.173
  285   1HA   GLY  38          1HA       GLY  38   0.214  -7.823  11.493
  286   2HA   GLY  38          2HA       GLY  38  -1.013  -8.588  10.469
  287    H    VAL  39           H        VAL  39  -0.634  -8.445   8.355
  288    HA   VAL  39           HA       VAL  39   0.192  -5.930   7.106
  289    HB   VAL  39           HB       VAL  39   1.796  -7.703   5.670
  290   1HG1  VAL  39          1HG1      VAL  39   2.221  -5.372   6.187
  291   2HG1  VAL  39          2HG1      VAL  39   2.541  -5.803   7.883
  292   3HG1  VAL  39          3HG1      VAL  39   3.638  -6.371   6.595
  293   1HG2  VAL  39          1HG2      VAL  39   2.469  -8.196   8.601
  294   2HG2  VAL  39          2HG2      VAL  39   1.666  -9.390   7.564
  295   3HG2  VAL  39          3HG2      VAL  39   3.294  -8.825   7.164
  296    H    ASP  40           H        ASP  40  -0.205  -9.437   6.319
  297    HA   ASP  40           HA       ASP  40  -1.350  -8.894   3.864
  298   1HB   ASP  40          1HB       ASP  40  -1.682 -11.446   5.406
  299   2HB   ASP  40          2HB       ASP  40  -1.564 -11.235   3.652
  300    H    ASN  41           H        ASN  41  -2.785  -7.493   5.917
  301    HA   ASN  41           HA       ASN  41  -5.611  -8.452   5.764
  302   1HB   ASN  41          1HB       ASN  41  -5.024  -5.981   7.343
  303   2HB   ASN  41          2HB       ASN  41  -5.894  -7.406   7.858
  304   1HD2  ASN  41          1HD2      ASN  41  -3.237  -5.510   8.649
  305   2HD2  ASN  41          2HD2      ASN  41  -2.375  -6.828   9.396
  306    H    LEU  42           H        LEU  42  -3.519  -5.526   5.449
  307    HA   LEU  42           HA       LEU  42  -5.735  -4.161   4.096
  308   1HB   LEU  42          1HB       LEU  42  -2.997  -3.027   4.567
  309   2HB   LEU  42          2HB       LEU  42  -4.544  -2.228   4.212
  310    HG   LEU  42           HG       LEU  42  -5.010  -3.759   6.577
  311   1HD1  LEU  42          1HD1      LEU  42  -2.528  -3.810   6.823
  312   2HD1  LEU  42          2HD1      LEU  42  -2.519  -2.035   6.751
  313   3HD1  LEU  42          3HD1      LEU  42  -3.319  -2.868   8.104
  314   1HD2  LEU  42          1HD2      LEU  42  -4.625  -0.774   6.244
  315   2HD2  LEU  42          2HD2      LEU  42  -6.144  -1.660   5.995
  316   3HD2  LEU  42          3HD2      LEU  42  -5.402  -1.577   7.605
  317    H    VAL  43           H        VAL  43  -2.742  -5.807   3.128
  318    HA   VAL  43           HA       VAL  43  -2.585  -5.050   0.481
  319    HB   VAL  43           HB       VAL  43  -1.016  -6.409   1.907
  320   1HG1  VAL  43          1HG1      VAL  43  -2.754  -8.237   2.303
  321   2HG1  VAL  43          2HG1      VAL  43  -2.496  -8.678   0.603
  322   3HG1  VAL  43          3HG1      VAL  43  -1.147  -8.809   1.716
  323   1HG2  VAL  43          1HG2      VAL  43  -1.466  -7.445  -0.928
  324   2HG2  VAL  43          2HG2      VAL  43  -0.755  -5.866  -0.615
  325   3HG2  VAL  43          3HG2      VAL  43   0.071  -7.338  -0.066
  326    H    LYS  44           H        LYS  44  -4.930  -7.005   2.179
  327    HA   LYS  44           HA       LYS  44  -6.208  -8.070  -0.244
  328   1HB   LYS  44          1HB       LYS  44  -7.332  -8.009   2.551
  329   2HB   LYS  44          2HB       LYS  44  -7.872  -8.991   1.201
  330   1HG   LYS  44          1HG       LYS  44  -5.129  -9.200   2.526
  331   2HG   LYS  44          2HG       LYS  44  -6.506 -10.194   2.922
  332   1HD   LYS  44          1HD       LYS  44  -5.982 -11.643   1.352
  333   2HD   LYS  44          2HD       LYS  44  -6.243 -10.414   0.100
  334   1HE   LYS  44          1HE       LYS  44  -4.008  -9.918  -0.116
  335   2HE   LYS  44          2HE       LYS  44  -3.591 -10.455   1.542
  336   1HZ   LYS  44          1HZ       LYS  44  -3.796 -12.706   0.830
  337   2HZ   LYS  44          2HZ       LYS  44  -4.169 -12.249  -0.712
  338   3HZ   LYS  44          3HZ       LYS  44  -2.703 -11.930  -0.088
  339    H    SER  45           H        SER  45  -6.584  -5.216   1.882
  340    HA   SER  45           HA       SER  45  -9.248  -4.576   0.851
  341   1HB   SER  45          1HB       SER  45  -8.091  -4.024   3.170
  342   2HB   SER  45          2HB       SER  45  -7.625  -2.525   2.323
  343    HG   SER  45           HG       SER  45  -9.742  -2.495   3.395
  344    H    VAL  46           H        VAL  46  -5.903  -3.616   0.317
  345    HA   VAL  46           HA       VAL  46  -6.361  -1.460  -1.525
  346    HB   VAL  46           HB       VAL  46  -4.253  -1.830  -0.278
  347   1HG1  VAL  46          1HG1      VAL  46  -4.268  -4.292  -0.575
  348   2HG1  VAL  46          2HG1      VAL  46  -3.770  -4.107  -2.243
  349   3HG1  VAL  46          3HG1      VAL  46  -2.694  -3.535  -0.963
  350   1HG2  VAL  46          1HG2      VAL  46  -3.862  -2.027  -3.273
  351   2HG2  VAL  46          2HG2      VAL  46  -4.022  -0.504  -2.383
  352   3HG2  VAL  46          3HG2      VAL  46  -2.636  -1.580  -2.061
  353    H    LYS  47           H        LYS  47  -5.883  -4.995  -1.901
  354    HA   LYS  47           HA       LYS  47  -5.997  -4.898  -4.724
  355   1HB   LYS  47          1HB       LYS  47  -5.490  -7.047  -4.714
  356   2HB   LYS  47          2HB       LYS  47  -5.207  -6.778  -3.010
  357   1HG   LYS  47          1HG       LYS  47  -6.367  -8.779  -3.133
  358   2HG   LYS  47          2HG       LYS  47  -7.534  -7.625  -2.516
  359   1HD   LYS  47          1HD       LYS  47  -8.875  -7.775  -4.300
  360   2HD   LYS  47          2HD       LYS  47  -7.545  -7.630  -5.451
  361   1HE   LYS  47          1HE       LYS  47  -8.305 -10.201  -3.974
  362   2HE   LYS  47          2HE       LYS  47  -8.857  -9.788  -5.603
  363   1HZ   LYS  47          1HZ       LYS  47  -6.582  -9.747  -6.348
  364   2HZ   LYS  47          2HZ       LYS  47  -6.016 -10.082  -4.849
  365   3HZ   LYS  47          3HZ       LYS  47  -6.901 -11.205  -5.662
  366    H    THR  48           H        THR  48  -8.484  -5.350  -2.188
  367    HA   THR  48           HA       THR  48 -10.682  -5.773  -4.009
  368    HB   THR  48           HB       THR  48 -10.502  -4.896  -1.113
  369    HG1  THR  48           HG1      THR  48 -11.017  -7.053  -0.809
  370   1HG2  THR  48          1HG2      THR  48 -12.670  -4.100  -1.892
  371   2HG2  THR  48          2HG2      THR  48 -12.973  -5.643  -2.728
  372   3HG2  THR  48          3HG2      THR  48 -12.901  -5.581  -0.955
  373    H    GLY  49           H        GLY  49  -9.210  -2.801  -2.661
  374   1HA   GLY  49          1HA       GLY  49  -9.524  -0.648  -3.714
  375   2HA   GLY  49          2HA       GLY  49 -11.155  -1.114  -4.217
  376    H    LEU  50           H        LEU  50  -9.486   0.594  -1.955
  377    HA   LEU  50           HA       LEU  50 -11.475   0.389   0.212
  378   1HB   LEU  50          1HB       LEU  50  -8.848   1.107   0.158
  379   2HB   LEU  50          2HB       LEU  50  -9.578   2.672  -0.046
  380    HG   LEU  50           HG       LEU  50 -11.026   1.736   2.103
  381   1HD1  LEU  50          1HD1      LEU  50  -9.698  -0.377   2.086
  382   2HD1  LEU  50          2HD1      LEU  50  -8.210   0.558   2.327
  383   3HD1  LEU  50          3HD1      LEU  50  -9.457   0.540   3.589
  384   1HD2  LEU  50          1HD2      LEU  50  -8.286   3.085   2.168
  385   2HD2  LEU  50          2HD2      LEU  50  -9.856   3.903   2.029
  386   3HD2  LEU  50          3HD2      LEU  50  -9.440   3.035   3.518
  387    H    ASN  51           H        ASN  51 -11.660   3.317   0.540
  388    HA   ASN  51           HA       ASN  51 -13.909   3.843  -1.267
  389   1HB   ASN  51          1HB       ASN  51 -12.679   5.761   0.774
  390   2HB   ASN  51          2HB       ASN  51 -14.303   5.778   0.088
  391   1HD2  ASN  51          1HD2      ASN  51 -12.061   4.257   2.362
  392   2HD2  ASN  51          2HD2      ASN  51 -13.186   3.074   2.977
  393    H    ALA  52           H        ALA  52 -11.012   5.667  -0.416
  394    HA   ALA  52           HA       ALA  52 -10.978   7.236  -2.887
  395   1HB   ALA  52          1HB       ALA  52 -10.525   8.218  -0.679
  396   2HB   ALA  52          2HB       ALA  52  -9.185   7.081  -0.446
  397   3HB   ALA  52          3HB       ALA  52  -9.087   8.336  -1.718
  398    H    MET  53           H        MET  53  -9.845   4.137  -2.053
  399    HA   MET  53           HA       MET  53  -7.463   4.358  -3.798
  400   1HB   MET  53          1HB       MET  53  -8.107   2.787  -1.534
  401   2HB   MET  53          2HB       MET  53  -7.952   1.635  -2.850
  402   1HG   MET  53          1HG       MET  53  -5.677   1.848  -2.826
  403   2HG   MET  53          2HG       MET  53  -5.780   3.606  -2.824
  404   1HE   MET  53          1HE       MET  53  -6.669   0.624  -0.368
  405   2HE   MET  53          2HE       MET  53  -4.941   0.535  -0.774
  406   3HE   MET  53          3HE       MET  53  -5.448   0.920   0.877
  407    HA   PRO  54           HA       PRO  54  -9.635   2.631  -7.239
  408   1HB   PRO  54          1HB       PRO  54  -7.547   1.682  -8.781
  409   2HB   PRO  54          2HB       PRO  54  -7.950   3.411  -8.592
  410   1HG   PRO  54          1HG       PRO  54  -5.860   1.826  -7.098
  411   2HG   PRO  54          2HG       PRO  54  -5.687   3.441  -7.845
  412   1HD   PRO  54          1HD       PRO  54  -6.147   3.018  -5.187
  413   2HD   PRO  54          2HD       PRO  54  -6.796   4.453  -6.040
  414    HA   PRO  55           HA       PRO  55 -10.139  -1.646  -6.076
  415   1HB   PRO  55          1HB       PRO  55 -11.413  -2.700  -8.239
  416   2HB   PRO  55          2HB       PRO  55 -12.176  -1.516  -7.143
  417   1HG   PRO  55          1HG       PRO  55 -10.834  -0.968  -9.804
  418   2HG   PRO  55          2HG       PRO  55 -12.429  -0.389  -9.239
  419   1HD   PRO  55          1HD       PRO  55 -10.179   1.143  -9.074
  420   2HD   PRO  55          2HD       PRO  55 -11.440   1.207  -7.804
  421    H    GLY  56           H        GLY  56  -8.243  -2.746  -5.818
  422   1HA   GLY  56          1HA       GLY  56  -6.683  -4.417  -6.609
  423   2HA   GLY  56          2HA       GLY  56  -7.036  -3.960  -8.231
  424    H    GLY  57           H        GLY  57  -6.246  -1.801  -5.533
  425   1HA   GLY  57          1HA       GLY  57  -5.002   0.138  -5.621
  426   2HA   GLY  57          2HA       GLY  57  -3.722  -1.055  -5.497
  427    H    MET  58           H        MET  58  -5.739  -0.303  -8.305
  428    HA   MET  58           HA       MET  58  -5.381   0.282 -10.384
  429   1HB   MET  58          1HB       MET  58  -3.962   2.239  -8.924
  430   2HB   MET  58          2HB       MET  58  -2.834   1.742 -10.169
  431   1HG   MET  58          1HG       MET  58  -5.247   2.059 -11.601
  432   2HG   MET  58          2HG       MET  58  -5.331   3.288 -10.348
  433   1HE   MET  58          1HE       MET  58  -2.858   1.760 -13.025
  434   2HE   MET  58          2HE       MET  58  -4.303   2.436 -13.819
  435   3HE   MET  58          3HE       MET  58  -2.716   3.196 -14.069
  436    H    CYS  59           H        CYS  59  -3.413  -1.924  -9.035
  437    HA   CYS  59           HA       CYS  59  -1.701  -2.370 -11.441
  438   1HB   CYS  59          1HB       CYS  59  -0.670  -4.170  -9.992
  439   2HB   CYS  59          2HB       CYS  59  -0.392  -2.481  -9.565
  440    H    THR  60           H        THR  60  -4.517  -3.661  -9.777
  441    HA   THR  60           HA       THR  60  -6.008  -5.271 -10.316
  442    HB   THR  60           HB       THR  60  -4.791  -5.133 -13.111
  443    HG1  THR  60           HG1      THR  60  -6.686  -3.855 -13.397
  444   1HG2  THR  60          1HG2      THR  60  -6.040  -7.238 -12.875
  445   2HG2  THR  60          2HG2      THR  60  -7.405  -6.360 -12.145
  446   3HG2  THR  60          3HG2      THR  60  -6.955  -6.075 -13.839
  447    H    ASP  61           H        ASP  61  -3.145  -6.385 -12.167
  448    HA   ASP  61           HA       ASP  61  -3.481  -9.135 -11.191
  449   1HB   ASP  61          1HB       ASP  61  -2.943  -8.414 -13.577
  450   2HB   ASP  61          2HB       ASP  61  -1.340  -7.926 -12.999
  451    H    CYS  62           H        CYS  62  -3.184  -7.807  -8.999
  452    HA   CYS  62           HA       CYS  62  -0.320  -7.401  -8.204
  453   1HB   CYS  62          1HB       CYS  62  -2.626  -7.014  -6.345
  454   2HB   CYS  62          2HB       CYS  62  -1.128  -6.112  -6.480
  455    H    THR  63           H        THR  63   0.796  -9.049  -7.373
  456    HA   THR  63           HA       THR  63  -0.715 -11.257  -6.019
  457    HB   THR  63           HB       THR  63   1.869 -11.332  -7.621
  458    HG1  THR  63           HG1      THR  63   0.542 -12.297  -9.165
  459   1HG2  THR  63          1HG2      THR  63   1.697 -13.106  -5.846
  460   2HG2  THR  63          2HG2      THR  63   0.111 -13.572  -6.497
  461   3HG2  THR  63          3HG2      THR  63   1.578 -13.780  -7.477
  462    H    ASP  64           H        ASP  64  -0.239 -11.539  -3.900
  463    HA   ASP  64           HA       ASP  64   1.097  -9.976  -2.224
  464   1HB   ASP  64          1HB       ASP  64   0.703 -12.986  -2.240
  465   2HB   ASP  64          2HB       ASP  64   1.354 -12.107  -0.866
  466    H    GLU  65           H        GLU  65   2.741 -12.573  -4.077
  467    HA   GLU  65           HA       GLU  65   5.319 -12.501  -3.215
  468   1HB   GLU  65          1HB       GLU  65   4.361 -12.388  -6.109
  469   2HB   GLU  65          2HB       GLU  65   5.997 -12.789  -5.572
  470   1HG   GLU  65          1HG       GLU  65   4.857 -14.611  -4.078
  471   2HG   GLU  65          2HG       GLU  65   3.463 -14.409  -5.147
  472    H    ASP  66           H        ASP  66   4.032  -9.889  -5.465
  473    HA   ASP  66           HA       ASP  66   6.445  -8.290  -4.684
  474   1HB   ASP  66          1HB       ASP  66   4.792  -8.480  -7.129
  475   2HB   ASP  66          2HB       ASP  66   5.070  -6.817  -6.591
  476    H    TYR  67           H        TYR  67   2.901  -8.413  -4.392
  477    HA   TYR  67           HA       TYR  67   2.672  -5.710  -3.646
  478   1HB   TYR  67          1HB       TYR  67   0.998  -7.637  -4.484
  479   2HB   TYR  67          2HB       TYR  67   0.703  -7.824  -2.761
  480    HD1  TYR  67           HD1      TYR  67  -1.614  -7.421  -3.165
  481    HD2  TYR  67           HD2      TYR  67   1.242  -4.600  -4.704
  482    HE1  TYR  67           HE1      TYR  67  -3.429  -5.879  -3.807
  483    HE2  TYR  67           HE2      TYR  67  -0.560  -3.093  -5.298
  484    HH   TYR  67           HH       TYR  67  -2.830  -2.893  -5.557
  485    H    LYS  68           H        LYS  68   3.128  -8.579  -1.651
  486    HA   LYS  68           HA       LYS  68   2.803  -7.257   0.902
  487   1HB   LYS  68          1HB       LYS  68   3.427  -9.225   1.912
  488   2HB   LYS  68          2HB       LYS  68   2.663  -9.776   0.420
  489   1HG   LYS  68          1HG       LYS  68   5.138  -9.847  -0.503
  490   2HG   LYS  68          2HG       LYS  68   5.628  -9.745   1.173
  491   1HD   LYS  68          1HD       LYS  68   3.686 -11.873   0.097
  492   2HD   LYS  68          2HD       LYS  68   5.429 -12.025   0.014
  493   1HE   LYS  68          1HE       LYS  68   4.964 -13.215   1.927
  494   2HE   LYS  68          2HE       LYS  68   5.507 -11.664   2.557
  495   1HZ   LYS  68          1HZ       LYS  68   3.069 -11.115   2.889
  496   2HZ   LYS  68          2HZ       LYS  68   2.664 -12.568   2.340
  497   3HZ   LYS  68          3HZ       LYS  68   3.523 -12.434   3.710
  498    H    ALA  69           H        ALA  69   5.530  -7.943  -1.279
  499    HA   ALA  69           HA       ALA  69   7.607  -6.867   0.374
  500   1HB   ALA  69          1HB       ALA  69   8.109  -8.440  -1.343
  501   2HB   ALA  69          2HB       ALA  69   7.369  -7.420  -2.578
  502   3HB   ALA  69          3HB       ALA  69   8.874  -6.897  -1.785
  503    H    ALA  70           H        ALA  70   5.279  -5.470  -1.812
  504    HA   ALA  70           HA       ALA  70   6.566  -2.875  -2.113
  505   1HB   ALA  70          1HB       ALA  70   5.074  -3.740  -3.828
  506   2HB   ALA  70          2HB       ALA  70   3.712  -3.765  -2.688
  507   3HB   ALA  70          3HB       ALA  70   4.435  -2.226  -3.151
  508    H    ILE  71           H        ILE  71   3.863  -4.161  -0.161
  509    HA   ILE  71           HA       ILE  71   3.517  -1.761   1.455
  510    HB   ILE  71           HB       ILE  71   2.634  -4.612   1.512
  511   1HG1  ILE  71          1HG1      ILE  71   0.505  -3.210   2.305
  512   2HG1  ILE  71          2HG1      ILE  71   1.364  -1.949   1.418
  513   1HG2  ILE  71          1HG2      ILE  71   3.394  -4.686   3.723
  514   2HG2  ILE  71          2HG2      ILE  71   2.729  -3.090   4.110
  515   3HG2  ILE  71          3HG2      ILE  71   1.653  -4.459   3.773
  516   1HD1  ILE  71          1HD1      ILE  71   1.397  -3.265  -0.599
  517   2HD1  ILE  71          2HD1      ILE  71   0.854  -4.712   0.279
  518   3HD1  ILE  71          3HD1      ILE  71  -0.257  -3.363   0.067
  519    H    GLU  72           H        GLU  72   5.483  -4.689   1.914
  520    HA   GLU  72           HA       GLU  72   6.435  -3.921   4.457
  521   1HB   GLU  72          1HB       GLU  72   7.703  -5.767   4.550
  522   2HB   GLU  72          2HB       GLU  72   6.550  -6.238   3.323
  523   1HG   GLU  72          1HG       GLU  72   8.563  -6.920   2.402
  524   2HG   GLU  72          2HG       GLU  72   8.469  -5.305   1.688
  525    H    PHE  73           H        PHE  73   7.655  -3.072   1.278
  526    HA   PHE  73           HA       PHE  73  10.099  -1.971   1.785
  527   1HB   PHE  73          1HB       PHE  73   8.868  -2.000  -0.385
  528   2HB   PHE  73          2HB       PHE  73   7.877  -0.655   0.175
  529    HD1  PHE  73           HD1      PHE  73   8.797   1.619   0.387
  530    HD2  PHE  73           HD2      PHE  73  11.210  -1.669  -1.017
  531    HE1  PHE  73           HE1      PHE  73  10.536   3.218  -0.386
  532    HE2  PHE  73           HE2      PHE  73  12.897  -0.052  -1.875
  533    HZ   PHE  73           HZ       PHE  73  12.575   2.375  -1.531
  534    H    MET  74           H        MET  74   6.992  -0.465   2.726
  535    HA   MET  74           HA       MET  74   8.266   2.033   3.482
  536   1HB   MET  74          1HB       MET  74   5.525   0.890   3.908
  537   2HB   MET  74          2HB       MET  74   5.962   2.525   4.445
  538   1HG   MET  74          1HG       MET  74   4.858   2.896   2.439
  539   2HG   MET  74          2HG       MET  74   6.527   2.906   1.894
  540   1HE   MET  74          1HE       MET  74   2.958   1.654   1.107
  541   2HE   MET  74          2HE       MET  74   3.937   2.638  -0.024
  542   3HE   MET  74          3HE       MET  74   3.476   0.967  -0.429
  543    H    SER  75           H        SER  75   6.333  -0.286   5.404
  544    HA   SER  75           HA       SER  75   8.289  -0.517   7.520
  545   1HB   SER  75          1HB       SER  75   7.288   1.849   7.864
  546   2HB   SER  75          2HB       SER  75   5.805   1.020   8.356
  547    HG   SER  75           HG       SER  75   7.195   1.465  10.137
  548    H    LYS  76           H        LYS  76   6.679  -2.319   5.877
  549    HA   LYS  76           HA       LYS  76   5.133  -4.065   6.047
  550   1HB   LYS  76          1HB       LYS  76   5.982  -5.742   7.651
  551   2HB   LYS  76          2HB       LYS  76   7.204  -5.058   6.588
  552   1HG   LYS  76          1HG       LYS  76   8.176  -3.726   8.255
  553   2HG   LYS  76          2HG       LYS  76   6.852  -3.988   9.402
  554   1HD   LYS  76          1HD       LYS  76   8.469  -6.327   8.318
  555   2HD   LYS  76          2HD       LYS  76   9.112  -5.330   9.634
  556   1HE   LYS  76          1HE       LYS  76   7.115  -5.744  11.012
  557   2HE   LYS  76          2HE       LYS  76   6.377  -6.707   9.727
  558   1HZ   LYS  76          1HZ       LYS  76   8.176  -8.281   9.946
  559   2HZ   LYS  76          2HZ       LYS  76   8.907  -7.368  11.102
  560   3HZ   LYS  76          3HZ       LYS  76   7.450  -8.068  11.408
  561    H    ALA  77           H        ALA  77   3.506  -2.387   6.529
  562    HA   ALA  77           HA       ALA  77   1.828  -3.460   8.707
  563   1HB   ALA  77          1HB       ALA  77   3.267  -1.419   9.533
  564   2HB   ALA  77          2HB       ALA  77   2.132  -0.455   8.571
  565   3HB   ALA  77          3HB       ALA  77   1.526  -1.459   9.859
  566    H    LYS  78           H        LYS  78   2.001  -0.908   6.244
  567    HA   LYS  78           HA       LYS  78  -0.654  -1.566   5.194
  568   1HB   LYS  78          1HB       LYS  78  -1.691   0.444   5.766
  569   2HB   LYS  78          2HB       LYS  78  -0.778   0.018   7.205
  570   1HG   LYS  78          1HG       LYS  78   0.220   2.025   7.203
  571   2HG   LYS  78          2HG       LYS  78   0.934   1.616   5.658
  572   1HD   LYS  78          1HD       LYS  78  -0.160   3.580   5.112
  573   2HD   LYS  78          2HD       LYS  78  -1.232   2.325   4.526
  574   1HE   LYS  78          1HE       LYS  78  -2.706   3.789   5.656
  575   2HE   LYS  78          2HE       LYS  78  -2.460   2.496   6.803
  576   1HZ   LYS  78          1HZ       LYS  78  -1.052   3.905   8.085
  577   2HZ   LYS  78          2HZ       LYS  78  -0.748   4.898   6.815
  578   3HZ   LYS  78          3HZ       LYS  78  -2.133   5.001   7.601
  579    HHA  HEC  90           HHA      HEC  90  -5.614   4.274   3.637
  580    HHB  HEC  90           HHB      HEC  90  -1.374   0.017   1.200
  581    HHC  HEC  90           HHC      HEC  90  -1.980   2.924  -4.536
  582    HHD  HEC  90           HHD      HEC  90  -5.403   7.658  -1.841
  583   1HMA  HEC  90          1HMA      HEC  90  -3.449  -0.982   2.790
  584   2HMA  HEC  90          2HMA      HEC  90  -1.865  -0.493   3.352
  585   3HMA  HEC  90          3HMA      HEC  90  -3.237  -0.414   4.470
  586   1HAA  HEC  90          1HAA      HEC  90  -4.742   2.967   5.260
  587   2HAA  HEC  90          2HAA      HEC  90  -4.292   1.299   5.503
  588   1HBA  HEC  90          1HBA      HEC  90  -6.401   0.517   4.696
  589   2HBA  HEC  90          2HBA      HEC  90  -6.709   2.012   3.803
  590   1HMB  HEC  90          1HMB      HEC  90  -0.494  -1.490  -1.020
  591   2HMB  HEC  90          2HMB      HEC  90   0.892  -0.685  -1.746
  592   3HMB  HEC  90          3HMB      HEC  90   0.513  -0.377  -0.075
  593    HAB  HEC  90           HAB      HEC  90  -0.557   1.431  -4.766
  594   1HBB  HEC  90          1HBB      HEC  90  -1.603  -0.799  -4.550
  595   2HBB  HEC  90          2HBB      HEC  90  -0.019  -0.796  -5.359
  596   3HBB  HEC  90          3HBB      HEC  90  -0.159  -1.355  -3.678
  597   1HMC  HEC  90          1HMC      HEC  90  -3.873   5.001  -6.495
  598   2HMC  HEC  90          2HMC      HEC  90  -2.477   6.059  -6.148
  599   3HMC  HEC  90          3HMC      HEC  90  -2.323   4.329  -6.049
  600    HAC  HEC  90           HAC      HEC  90  -5.801   7.562  -4.099
  601   1HBC  HEC  90          1HBC      HEC  90  -5.404   6.596  -6.336
  602   2HBC  HEC  90          2HBC      HEC  90  -5.529   8.360  -6.277
  603   3HBC  HEC  90          3HBC      HEC  90  -3.941   7.634  -6.450
  604   1HMD  HEC  90          1HMD      HEC  90  -7.537   8.420   0.085
  605   2HMD  HEC  90          2HMD      HEC  90  -6.625   9.101   1.418
  606   3HMD  HEC  90          3HMD      HEC  90  -5.927   9.096  -0.179
  607   1HAD  HEC  90          1HAD      HEC  90  -6.967   5.897   3.825
  608   2HAD  HEC  90          2HAD      HEC  90  -8.075   6.469   2.621
  609   1HBD  HEC  90          1HBD      HEC  90  -6.096   8.521   3.510
  610   2HBD  HEC  90          2HBD      HEC  90  -7.023   7.844   4.829
  Start of MODEL    5
    1   1H    ALA  -3          1H        ALA  -3   2.340  -6.615 -16.887
    2   2H    ALA  -3          2H        ALA  -3   1.179  -6.042 -17.908
    3   3H    ALA  -3          3H        ALA  -3   2.736  -5.486 -18.013
    4    HA   ALA  -3           HA       ALA  -3   1.322  -3.860 -16.989
    5   1HB   ALA  -3          1HB       ALA  -3  -0.238  -5.453 -15.957
    6   2HB   ALA  -3          2HB       ALA  -3   1.005  -5.962 -14.798
    7   3HB   ALA  -3          3HB       ALA  -3   0.387  -4.290 -14.774
    8    H    ASP  -2           H        ASP  -2   2.379  -4.544 -13.887
    9    HA   ASP  -2           HA       ASP  -2   5.238  -4.240 -14.306
   10   1HB   ASP  -2          1HB       ASP  -2   3.808  -1.899 -14.545
   11   2HB   ASP  -2          2HB       ASP  -2   4.076  -1.920 -12.803
   12    H    LEU  -1           H        LEU  -1   5.423  -6.052 -13.060
   13    HA   LEU  -1           HA       LEU  -1   4.953  -5.753 -10.194
   14   1HB   LEU  -1          1HB       LEU  -1   3.615  -7.659  -9.873
   15   2HB   LEU  -1          2HB       LEU  -1   2.871  -6.661 -11.100
   16    HG   LEU  -1           HG       LEU  -1   2.467  -8.666 -11.979
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.780  -7.552 -13.723
   18   2HD1  LEU  -1          2HD1      LEU  -1   5.265  -8.345 -13.125
   19   3HD1  LEU  -1          3HD1      LEU  -1   3.946  -9.312 -13.798
   20   1HD2  LEU  -1          1HD2      LEU  -1   5.067 -10.008 -11.234
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.678  -9.914 -10.130
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.522 -10.712 -11.700
   23    H    GLN   1           H        GLN   1   7.299  -5.750 -11.717
   24    HA   GLN   1           HA       GLN   1   8.570  -8.381 -11.213
   25   1HB   GLN   1          1HB       GLN   1   8.786  -6.311 -13.221
   26   2HB   GLN   1          2HB       GLN   1  10.342  -6.396 -12.408
   27   1HG   GLN   1          1HG       GLN   1   8.840  -8.748 -13.642
   28   2HG   GLN   1          2HG       GLN   1  10.198  -7.892 -14.383
   29   1HE2  GLN   1          1HE2      GLN   1  12.217  -7.737 -12.733
   30   2HE2  GLN   1          2HE2      GLN   1  12.589  -9.297 -12.006
   31    H    ASP   2           H        ASP   2   8.474  -5.225  -9.818
   32    HA   ASP   2           HA       ASP   2  10.280  -6.124  -7.697
   33   1HB   ASP   2          1HB       ASP   2  11.722  -4.803  -9.200
   34   2HB   ASP   2          2HB       ASP   2  10.589  -3.447  -9.126
   35    H    ALA   3           H        ALA   3   9.113  -5.982  -5.950
   36    HA   ALA   3           HA       ALA   3   6.662  -4.755  -5.385
   37   1HB   ALA   3          1HB       ALA   3   7.874  -6.452  -4.105
   38   2HB   ALA   3          2HB       ALA   3   9.055  -5.226  -3.580
   39   3HB   ALA   3          3HB       ALA   3   7.350  -5.078  -3.109
   40    H    GLU   4           H        GLU   4   9.960  -3.293  -5.254
   41    HA   GLU   4           HA       GLU   4   9.086  -0.798  -4.121
   42   1HB   GLU   4          1HB       GLU   4  11.389  -1.376  -4.019
   43   2HB   GLU   4          2HB       GLU   4  11.540  -1.482  -5.774
   44   1HG   GLU   4          1HG       GLU   4  11.217   0.885  -6.062
   45   2HG   GLU   4          2HG       GLU   4  10.657   1.098  -4.403
   46    H    ALA   5           H        ALA   5   9.389  -2.027  -7.464
   47    HA   ALA   5           HA       ALA   5   8.743   0.536  -8.685
   48   1HB   ALA   5          1HB       ALA   5  10.086  -1.149  -9.860
   49   2HB   ALA   5          2HB       ALA   5   8.678  -2.244  -9.903
   50   3HB   ALA   5          3HB       ALA   5   8.628  -0.696 -10.767
   51    H    ILE   6           H        ILE   6   6.877  -2.327  -7.639
   52    HA   ILE   6           HA       ILE   6   4.382  -1.532  -8.832
   53    HB   ILE   6           HB       ILE   6   5.123  -3.137  -6.369
   54   1HG1  ILE   6          1HG1      ILE   6   3.592  -4.065  -8.809
   55   2HG1  ILE   6          2HG1      ILE   6   5.361  -3.960  -8.829
   56   1HG2  ILE   6          1HG2      ILE   6   2.945  -2.139  -5.776
   57   2HG2  ILE   6          2HG2      ILE   6   2.301  -2.529  -7.385
   58   3HG2  ILE   6          3HG2      ILE   6   2.671  -3.807  -6.220
   59   1HD1  ILE   6          1HD1      ILE   6   5.624  -5.552  -7.132
   60   2HD1  ILE   6          2HD1      ILE   6   3.917  -5.522  -6.642
   61   3HD1  ILE   6          3HD1      ILE   6   4.384  -6.253  -8.168
   62    H    TYR   7           H        TYR   7   5.699  -0.862  -5.455
   63    HA   TYR   7           HA       TYR   7   3.419   0.829  -5.071
   64   1HB   TYR   7          1HB       TYR   7   4.008   1.158  -2.923
   65   2HB   TYR   7          2HB       TYR   7   4.860  -0.339  -3.245
   66    HD1  TYR   7           HD1      TYR   7   7.224  -0.396  -2.885
   67    HD2  TYR   7           HD2      TYR   7   5.158   3.380  -2.946
   68    HE1  TYR   7           HE1      TYR   7   9.372   0.807  -2.521
   69    HE2  TYR   7           HE2      TYR   7   7.296   4.565  -2.539
   70    HH   TYR   7           HH       TYR   7   9.581   4.344  -2.457
   71    H    ASN   8           H        ASN   8   6.728   1.542  -5.991
   72    HA   ASN   8           HA       ASN   8   6.549   4.364  -5.924
   73   1HB   ASN   8          1HB       ASN   8   8.610   2.957  -5.763
   74   2HB   ASN   8          2HB       ASN   8   8.424   2.547  -7.482
   75   1HD2  ASN   8          1HD2      ASN   8  10.323   3.461  -8.230
   76   2HD2  ASN   8          2HD2      ASN   8  10.649   5.185  -8.095
   77    H    LYS   9           H        LYS   9   5.541   2.057  -8.410
   78    HA   LYS   9           HA       LYS   9   4.952   4.285 -10.269
   79   1HB   LYS   9          1HB       LYS   9   5.896   2.026 -10.920
   80   2HB   LYS   9          2HB       LYS   9   4.276   1.372 -10.648
   81   1HG   LYS   9          1HG       LYS   9   3.711   2.045 -12.737
   82   2HG   LYS   9          2HG       LYS   9   3.911   3.722 -12.250
   83   1HD   LYS   9          1HD       LYS   9   5.290   3.283 -14.192
   84   2HD   LYS   9          2HD       LYS   9   6.346   3.610 -12.809
   85   1HE   LYS   9          1HE       LYS   9   7.172   1.425 -12.731
   86   2HE   LYS   9          2HE       LYS   9   5.603   0.743 -13.140
   87   1HZ   LYS   9          1HZ       LYS   9   6.017   1.516 -15.444
   88   2HZ   LYS   9          2HZ       LYS   9   7.609   1.750 -15.028
   89   3HZ   LYS   9          3HZ       LYS   9   6.872   0.262 -14.908
   90    H    ALA  10           H        ALA  10   3.285   2.292  -7.877
   91    HA   ALA  10           HA       ALA  10   0.612   3.107  -8.960
   92   1HB   ALA  10          1HB       ALA  10   1.152   0.677  -8.825
   93   2HB   ALA  10          2HB       ALA  10   1.210   0.829  -7.054
   94   3HB   ALA  10          3HB       ALA  10  -0.285   1.175  -7.925
   95    H    CYS  11           H        CYS  11   2.031   2.471  -5.691
   96    HA   CYS  11           HA       CYS  11   0.031   4.191  -4.409
   97   1HB   CYS  11          1HB       CYS  11   2.355   3.174  -2.887
   98   2HB   CYS  11          2HB       CYS  11   0.653   3.218  -2.448
   99    H    THR  12           H        THR  12   1.448   5.615  -6.277
  100    HA   THR  12           HA       THR  12   3.476   7.236  -4.792
  101    HB   THR  12           HB       THR  12   4.324   5.539  -6.486
  102    HG1  THR  12           HG1      THR  12   4.770   8.230  -7.127
  103   1HG2  THR  12          1HG2      THR  12   2.493   5.868  -8.182
  104   2HG2  THR  12          2HG2      THR  12   3.076   7.514  -8.492
  105   3HG2  THR  12          3HG2      THR  12   4.095   6.147  -8.884
  106    H    VAL  13           H        VAL  13   0.516   7.494  -5.887
  107    HA   VAL  13           HA       VAL  13   0.799  10.176  -7.160
  108    HB   VAL  13           HB       VAL  13  -1.513   8.187  -7.151
  109   1HG1  VAL  13          1HG1      VAL  13  -2.119  10.552  -7.578
  110   2HG1  VAL  13          2HG1      VAL  13  -0.870  10.624  -8.845
  111   3HG1  VAL  13          3HG1      VAL  13  -2.292   9.566  -9.046
  112   1HG2  VAL  13          1HG2      VAL  13   0.662   8.603  -9.237
  113   2HG2  VAL  13          2HG2      VAL  13   0.338   7.117  -8.315
  114   3HG2  VAL  13          3HG2      VAL  13  -0.840   7.689  -9.493
  115    H    CYS  14           H        CYS  14  -1.310   8.346  -4.927
  116    HA   CYS  14           HA       CYS  14  -2.278  10.710  -3.503
  117   1HB   CYS  14          1HB       CYS  14  -2.509   7.706  -3.307
  118   2HB   CYS  14          2HB       CYS  14  -3.132   8.757  -2.045
  119    H    HIS  15           H        HIS  15  -0.481   7.802  -2.485
  120    HA   HIS  15           HA       HIS  15   0.057   8.745   0.130
  121   1HB   HIS  15          1HB       HIS  15   1.046   6.426  -1.581
  122   2HB   HIS  15          2HB       HIS  15   1.505   6.616   0.102
  123    HD1  HIS  15           HD1      HIS  15  -0.155   6.007   1.903
  124    HD2  HIS  15           HD2      HIS  15  -1.539   5.686  -2.033
  125    HE1  HIS  15           HE1      HIS  15  -2.064   4.277   1.943
  126    H    SER  16           H        SER  16   1.800   9.486  -2.677
  127    HA   SER  16           HA       SER  16   4.495   9.494  -1.552
  128   1HB   SER  16          1HB       SER  16   3.932   9.269  -3.977
  129   2HB   SER  16          2HB       SER  16   3.475  10.981  -4.016
  130    HG   SER  16           HG       SER  16   5.745  10.366  -4.561
  131    H    MET  17           H        MET  17   1.994  11.937  -2.253
  132    HA   MET  17           HA       MET  17   3.428  13.923  -0.555
  133   1HB   MET  17          1HB       MET  17   2.543  14.183  -3.150
  134   2HB   MET  17          2HB       MET  17   1.158  14.814  -2.254
  135   1HG   MET  17          1HG       MET  17   2.480  16.723  -2.498
  136   2HG   MET  17          2HG       MET  17   3.022  16.155  -0.919
  137   1HE   MET  17          1HE       MET  17   4.725  18.231  -2.043
  138   2HE   MET  17          2HE       MET  17   5.392  17.207  -0.741
  139   3HE   MET  17          3HE       MET  17   6.366  17.550  -2.190
  140    H    GLY  18           H        GLY  18   0.269  12.349  -1.045
  141   1HA   GLY  18          1HA       GLY  18  -1.352  11.939   0.574
  142   2HA   GLY  18          2HA       GLY  18  -0.670  13.155   1.642
  143    H    VAL  19           H        VAL  19  -2.190  12.930  -1.619
  144    HA   VAL  19           HA       VAL  19  -3.312  15.650  -1.369
  145    HB   VAL  19           HB       VAL  19  -3.582  13.592  -3.600
  146   1HG1  VAL  19          1HG1      VAL  19  -5.474  15.172  -3.678
  147   2HG1  VAL  19          2HG1      VAL  19  -4.360  16.545  -3.504
  148   3HG1  VAL  19          3HG1      VAL  19  -4.331  15.545  -4.969
  149   1HG2  VAL  19          1HG2      VAL  19  -1.823  16.074  -3.352
  150   2HG2  VAL  19          2HG2      VAL  19  -1.256  14.388  -3.335
  151   3HG2  VAL  19          3HG2      VAL  19  -1.982  15.061  -4.801
  152    H    ALA  20           H        ALA  20  -4.733  12.457  -1.775
  153    HA   ALA  20           HA       ALA  20  -7.422  13.462  -1.088
  154   1HB   ALA  20          1HB       ALA  20  -7.132  11.887  -2.886
  155   2HB   ALA  20          2HB       ALA  20  -6.310  10.747  -1.802
  156   3HB   ALA  20          3HB       ALA  20  -8.045  11.109  -1.567
  157    H    GLY  21           H        GLY  21  -5.346  13.745   0.850
  158   1HA   GLY  21          1HA       GLY  21  -4.948  13.491   3.123
  159   2HA   GLY  21          2HA       GLY  21  -6.506  12.665   3.269
  160    H    ALA  22           H        ALA  22  -4.313  11.265   0.981
  161    HA   ALA  22           HA       ALA  22  -4.378   8.811   2.215
  162   1HB   ALA  22          1HB       ALA  22  -4.050   9.106  -0.139
  163   2HB   ALA  22          2HB       ALA  22  -2.447   9.821   0.109
  164   3HB   ALA  22          3HB       ALA  22  -2.728   8.108   0.487
  165    HA   PRO  23           HA       PRO  23  -1.244   8.896   5.392
  166   1HB   PRO  23          1HB       PRO  23  -0.793   6.239   5.751
  167   2HB   PRO  23          2HB       PRO  23  -2.365   7.025   6.128
  168   1HG   PRO  23          1HG       PRO  23  -1.579   5.580   3.641
  169   2HG   PRO  23          2HG       PRO  23  -3.017   5.241   4.658
  170   1HD   PRO  23          1HD       PRO  23  -3.274   6.811   2.480
  171   2HD   PRO  23          2HD       PRO  23  -4.026   7.332   4.022
  172    H    LYS  24           H        LYS  24   1.014   8.960   5.596
  173    HA   LYS  24           HA       LYS  24   2.263   9.227   2.992
  174   1HB   LYS  24          1HB       LYS  24   3.590   9.440   5.701
  175   2HB   LYS  24          2HB       LYS  24   4.273   9.947   4.168
  176   1HG   LYS  24          1HG       LYS  24   2.607  11.642   3.840
  177   2HG   LYS  24          2HG       LYS  24   1.684  11.128   5.252
  178   1HD   LYS  24          1HD       LYS  24   3.079  12.068   6.775
  179   2HD   LYS  24          2HD       LYS  24   4.543  11.777   5.858
  180   1HE   LYS  24          1HE       LYS  24   2.502  13.821   4.879
  181   2HE   LYS  24          2HE       LYS  24   3.616  14.246   6.181
  182   1HZ   LYS  24          1HZ       LYS  24   5.455  13.786   4.777
  183   2HZ   LYS  24          2HZ       LYS  24   4.500  13.230   3.557
  184   3HZ   LYS  24          3HZ       LYS  24   4.463  14.820   3.974
  185    H    SER  25           H        SER  25   3.648   7.958   1.915
  186    HA   SER  25           HA       SER  25   3.977   5.256   2.294
  187   1HB   SER  25          1HB       SER  25   4.595   6.598   0.285
  188   2HB   SER  25          2HB       SER  25   6.110   7.059   1.095
  189    HG   SER  25           HG       SER  25   6.248   5.130  -0.272
  190    H    HIS  26           H        HIS  26   5.927   7.766   3.834
  191    HA   HIS  26           HA       HIS  26   7.356   5.736   5.519
  192   1HB   HIS  26          1HB       HIS  26   9.207   7.404   5.602
  193   2HB   HIS  26          2HB       HIS  26   8.931   6.660   4.026
  194    HD1  HIS  26           HD1      HIS  26   7.294   9.820   5.541
  195    HD2  HIS  26           HD2      HIS  26   9.522   8.479   2.246
  196    HE1  HIS  26           HE1      HIS  26   7.425  11.793   3.893
  197    H    ASN  27           H        ASN  27   5.356   5.962   6.894
  198    HA   ASN  27           HA       ASN  27   5.751   8.201   8.851
  199   1HB   ASN  27          1HB       ASN  27   3.254   7.077   7.598
  200   2HB   ASN  27          2HB       ASN  27   3.238   7.330   9.354
  201   1HD2  ASN  27          1HD2      ASN  27   1.360   8.712   7.741
  202   2HD2  ASN  27          2HD2      ASN  27   1.862  10.386   7.800
  203    H    THR  28           H        THR  28   5.489   7.613  11.058
  204    HA   THR  28           HA       THR  28   5.875   4.671  11.620
  205    HB   THR  28           HB       THR  28   6.419   7.121  13.343
  206    HG1  THR  28           HG1      THR  28   8.352   5.462  12.159
  207   1HG2  THR  28          1HG2      THR  28   6.075   5.128  14.739
  208   2HG2  THR  28          2HG2      THR  28   7.168   4.182  13.704
  209   3HG2  THR  28          3HG2      THR  28   7.797   5.531  14.674
  210    H    ALA  29           H        ALA  29   3.932   7.538  12.528
  211    HA   ALA  29           HA       ALA  29   2.370   6.080  14.509
  212   1HB   ALA  29          1HB       ALA  29   2.933   8.431  14.778
  213   2HB   ALA  29          2HB       ALA  29   2.020   8.840  13.301
  214   3HB   ALA  29          3HB       ALA  29   1.173   8.191  14.725
  215    H    ASP  30           H        ASP  30   2.080   6.762  11.117
  216    HA   ASP  30           HA       ASP  30  -0.763   6.268  10.834
  217   1HB   ASP  30          1HB       ASP  30   0.992   7.766   9.563
  218   2HB   ASP  30          2HB       ASP  30   1.366   6.264   8.661
  219    H    TRP  31           H        TRP  31   2.279   4.535  10.587
  220    HA   TRP  31           HA       TRP  31   1.122   2.042   9.560
  221   1HB   TRP  31          1HB       TRP  31   3.924   2.962  10.145
  222   2HB   TRP  31          2HB       TRP  31   3.546   1.343   9.581
  223    HD1  TRP  31           HD1      TRP  31   3.228   4.993   8.467
  224    HE1  TRP  31           HE1      TRP  31   3.260   5.222   5.921
  225    HE3  TRP  31           HE3      TRP  31   3.530   0.033   7.207
  226    HZ2  TRP  31           HZ2      TRP  31   3.261   3.491   3.663
  227    HZ3  TRP  31           HZ3      TRP  31   3.102  -0.625   4.809
  228    HH2  TRP  31           HH2      TRP  31   2.999   1.087   3.086
  229    H    GLU  32           H        GLU  32   2.443   3.258  12.736
  230    HA   GLU  32           HA       GLU  32   2.472   1.013  14.256
  231   1HB   GLU  32          1HB       GLU  32   1.851   3.842  14.749
  232   2HB   GLU  32          2HB       GLU  32   0.999   2.780  15.867
  233   1HG   GLU  32          1HG       GLU  32   3.131   1.641  16.441
  234   2HG   GLU  32          2HG       GLU  32   3.996   2.829  15.440
  235    HA   PRO  33           HA       PRO  33  -2.198   0.556  15.034
  236   1HB   PRO  33          1HB       PRO  33  -4.093   2.107  13.838
  237   2HB   PRO  33          2HB       PRO  33  -3.110   2.692  15.207
  238   1HG   PRO  33          1HG       PRO  33  -2.561   3.159  12.252
  239   2HG   PRO  33          2HG       PRO  33  -2.687   4.387  13.545
  240   1HD   PRO  33          1HD       PRO  33  -0.310   3.402  12.772
  241   2HD   PRO  33          2HD       PRO  33  -0.639   3.732  14.498
  242    H    ARG  34           H        ARG  34  -0.600   0.149  12.264
  243    HA   ARG  34           HA       ARG  34  -2.691  -1.479  10.904
  244   1HB   ARG  34          1HB       ARG  34  -0.100  -0.381   9.795
  245   2HB   ARG  34          2HB       ARG  34  -1.440  -1.082   8.913
  246   1HG   ARG  34          1HG       ARG  34  -1.693   1.534  10.546
  247   2HG   ARG  34          2HG       ARG  34  -1.096   1.510   8.932
  248   1HD   ARG  34          1HD       ARG  34  -3.137   1.585   8.155
  249   2HD   ARG  34          2HD       ARG  34  -3.422  -0.058   8.778
  250    HE   ARG  34           HE       ARG  34  -3.881   1.543  10.978
  251   1HH1  ARG  34          2HH1      ARG  34  -5.233   1.111   7.799
  252   2HH1  ARG  34          1HH1      ARG  34  -6.636   2.082   8.003
  253   1HH2  ARG  34          1HH2      ARG  34  -5.849   2.741  11.432
  254   2HH2  ARG  34          2HH2      ARG  34  -7.068   2.836  10.183
  255    H    LEU  35           H        LEU  35   0.723  -1.276  11.904
  256    HA   LEU  35           HA       LEU  35   1.526  -4.007  11.752
  257   1HB   LEU  35          1HB       LEU  35   2.430  -1.443  12.955
  258   2HB   LEU  35          2HB       LEU  35   2.938  -2.831  13.878
  259    HG   LEU  35           HG       LEU  35   3.447  -2.798  10.890
  260   1HD1  LEU  35          1HD1      LEU  35   4.288  -0.679  11.783
  261   2HD1  LEU  35          2HD1      LEU  35   5.156  -1.550  13.064
  262   3HD1  LEU  35          3HD1      LEU  35   5.617  -1.775  11.357
  263   1HD2  LEU  35          1HD2      LEU  35   4.893  -4.072  13.250
  264   2HD2  LEU  35          2HD2      LEU  35   3.770  -4.918  12.162
  265   3HD2  LEU  35          3HD2      LEU  35   5.292  -4.260  11.532
  266    H    ALA  36           H        ALA  36  -1.059  -3.054  13.451
  267    HA   ALA  36           HA       ALA  36  -0.553  -4.413  16.022
  268   1HB   ALA  36          1HB       ALA  36  -1.781  -2.271  16.037
  269   2HB   ALA  36          2HB       ALA  36  -2.984  -2.936  14.911
  270   3HB   ALA  36          3HB       ALA  36  -2.834  -3.607  16.550
  271    H    LYS  37           H        LYS  37  -2.026  -4.790  12.858
  272    HA   LYS  37           HA       LYS  37  -3.480  -7.254  13.648
  273   1HB   LYS  37          1HB       LYS  37  -3.482  -5.547  11.145
  274   2HB   LYS  37          2HB       LYS  37  -4.458  -7.024  11.378
  275   1HG   LYS  37          1HG       LYS  37  -5.753  -6.033  13.081
  276   2HG   LYS  37          2HG       LYS  37  -4.658  -4.646  13.257
  277   1HD   LYS  37          1HD       LYS  37  -5.123  -3.934  10.930
  278   2HD   LYS  37          2HD       LYS  37  -6.290  -5.243  10.735
  279   1HE   LYS  37          1HE       LYS  37  -6.442  -2.967  12.790
  280   2HE   LYS  37          2HE       LYS  37  -7.309  -2.997  11.251
  281   1HZ   LYS  37          1HZ       LYS  37  -8.466  -4.975  11.995
  282   2HZ   LYS  37          2HZ       LYS  37  -7.666  -4.953  13.431
  283   3HZ   LYS  37          3HZ       LYS  37  -8.709  -3.740  13.053
  284    H    GLY  38           H        GLY  38  -1.515  -6.244  10.830
  285   1HA   GLY  38          1HA       GLY  38   0.842  -7.242  10.853
  286   2HA   GLY  38          2HA       GLY  38   0.059  -8.819  10.978
  287    H    VAL  39           H        VAL  39   1.500  -6.832   8.794
  288    HA   VAL  39           HA       VAL  39   0.049  -6.513   6.574
  289    HB   VAL  39           HB       VAL  39   2.164  -7.119   5.249
  290   1HG1  VAL  39          1HG1      VAL  39   1.464  -4.861   5.986
  291   2HG1  VAL  39          2HG1      VAL  39   2.287  -5.133   7.530
  292   3HG1  VAL  39          3HG1      VAL  39   3.222  -5.079   6.006
  293   1HG2  VAL  39          1HG2      VAL  39   3.381  -7.304   8.052
  294   2HG2  VAL  39          2HG2      VAL  39   3.149  -8.695   6.972
  295   3HG2  VAL  39          3HG2      VAL  39   4.215  -7.373   6.500
  296    H    ASP  40           H        ASP  40  -1.175  -7.531   5.391
  297    HA   ASP  40           HA       ASP  40  -1.566  -9.476   3.836
  298   1HB   ASP  40          1HB       ASP  40  -1.252 -10.906   6.496
  299   2HB   ASP  40          2HB       ASP  40  -2.368 -11.493   5.272
  300    H    ASN  41           H        ASN  41  -2.820  -7.997   6.733
  301    HA   ASN  41           HA       ASN  41  -5.610  -8.616   5.977
  302   1HB   ASN  41          1HB       ASN  41  -5.226  -6.194   7.656
  303   2HB   ASN  41          2HB       ASN  41  -6.237  -7.593   7.924
  304   1HD2  ASN  41          1HD2      ASN  41  -3.212  -6.083   8.708
  305   2HD2  ASN  41          2HD2      ASN  41  -2.586  -7.483   9.562
  306    H    LEU  42           H        LEU  42  -3.554  -5.664   5.738
  307    HA   LEU  42           HA       LEU  42  -5.741  -4.238   4.470
  308   1HB   LEU  42          1HB       LEU  42  -2.866  -3.381   4.949
  309   2HB   LEU  42          2HB       LEU  42  -4.235  -2.396   4.420
  310    HG   LEU  42           HG       LEU  42  -5.367  -3.428   6.656
  311   1HD1  LEU  42          1HD1      LEU  42  -3.486  -4.688   7.478
  312   2HD1  LEU  42          2HD1      LEU  42  -2.371  -3.361   7.191
  313   3HD1  LEU  42          3HD1      LEU  42  -3.565  -3.235   8.488
  314   1HD2  LEU  42          1HD2      LEU  42  -3.510  -1.038   6.682
  315   2HD2  LEU  42          2HD2      LEU  42  -5.178  -1.039   6.049
  316   3HD2  LEU  42          3HD2      LEU  42  -4.892  -1.359   7.763
  317    H    VAL  43           H        VAL  43  -2.978  -6.092   3.316
  318    HA   VAL  43           HA       VAL  43  -2.928  -5.029   0.673
  319    HB   VAL  43           HB       VAL  43  -1.320  -6.607   1.941
  320   1HG1  VAL  43          1HG1      VAL  43  -3.000  -8.410   2.281
  321   2HG1  VAL  43          2HG1      VAL  43  -2.950  -8.717   0.522
  322   3HG1  VAL  43          3HG1      VAL  43  -1.496  -8.953   1.503
  323   1HG2  VAL  43          1HG2      VAL  43  -1.906  -7.037  -1.008
  324   2HG2  VAL  43          2HG2      VAL  43  -0.892  -5.751  -0.306
  325   3HG2  VAL  43          3HG2      VAL  43  -0.397  -7.445  -0.151
  326    H    LYS  44           H        LYS  44  -5.193  -7.114   2.380
  327    HA   LYS  44           HA       LYS  44  -6.602  -8.060   0.049
  328   1HB   LYS  44          1HB       LYS  44  -7.782  -7.813   2.781
  329   2HB   LYS  44          2HB       LYS  44  -8.296  -8.864   1.471
  330   1HG   LYS  44          1HG       LYS  44  -5.626  -9.053   2.870
  331   2HG   LYS  44          2HG       LYS  44  -7.032  -9.911   3.411
  332   1HD   LYS  44          1HD       LYS  44  -6.496 -11.630   2.151
  333   2HD   LYS  44          2HD       LYS  44  -6.795 -10.679   0.695
  334   1HE   LYS  44          1HE       LYS  44  -4.528 -10.275   0.328
  335   2HE   LYS  44          2HE       LYS  44  -4.091 -10.377   2.042
  336   1HZ   LYS  44          1HZ       LYS  44  -4.096 -12.661   2.000
  337   2HZ   LYS  44          2HZ       LYS  44  -4.803 -12.752   0.502
  338   3HZ   LYS  44          3HZ       LYS  44  -3.299 -12.166   0.640
  339    H    SER  45           H        SER  45  -6.947  -5.228   2.255
  340    HA   SER  45           HA       SER  45  -9.360  -4.198   1.112
  341   1HB   SER  45          1HB       SER  45  -7.153  -2.682   2.565
  342   2HB   SER  45          2HB       SER  45  -8.848  -2.202   2.354
  343    HG   SER  45           HG       SER  45  -8.556  -3.161   4.397
  344    H    VAL  46           H        VAL  46  -5.884  -3.844   0.457
  345    HA   VAL  46           HA       VAL  46  -6.068  -1.778  -1.425
  346    HB   VAL  46           HB       VAL  46  -4.097  -3.983  -0.914
  347   1HG1  VAL  46          1HG1      VAL  46  -3.822  -3.658  -3.301
  348   2HG1  VAL  46          2HG1      VAL  46  -3.804  -1.890  -3.077
  349   3HG1  VAL  46          3HG1      VAL  46  -2.484  -2.893  -2.434
  350   1HG2  VAL  46          1HG2      VAL  46  -3.714  -1.010  -0.803
  351   2HG2  VAL  46          2HG2      VAL  46  -4.358  -1.925   0.580
  352   3HG2  VAL  46          3HG2      VAL  46  -2.726  -2.266  -0.031
  353    H    LYS  47           H        LYS  47  -5.993  -5.318  -1.973
  354    HA   LYS  47           HA       LYS  47  -6.462  -5.134  -4.752
  355   1HB   LYS  47          1HB       LYS  47  -6.345  -7.356  -4.819
  356   2HB   LYS  47          2HB       LYS  47  -5.662  -7.007  -3.221
  357   1HG   LYS  47          1HG       LYS  47  -8.221  -7.384  -2.490
  358   2HG   LYS  47          2HG       LYS  47  -8.280  -8.338  -3.952
  359   1HD   LYS  47          1HD       LYS  47  -6.033  -8.650  -1.898
  360   2HD   LYS  47          2HD       LYS  47  -7.641  -9.328  -1.612
  361   1HE   LYS  47          1HE       LYS  47  -6.806 -11.204  -2.513
  362   2HE   LYS  47          2HE       LYS  47  -7.197 -10.419  -4.038
  363   1HZ   LYS  47          1HZ       LYS  47  -4.841  -9.638  -4.079
  364   2HZ   LYS  47          2HZ       LYS  47  -4.445 -10.575  -2.795
  365   3HZ   LYS  47          3HZ       LYS  47  -4.976 -11.265  -4.116
  366    H    THR  48           H        THR  48  -8.737  -5.160  -2.095
  367    HA   THR  48           HA       THR  48 -11.132  -5.348  -3.658
  368    HB   THR  48           HB       THR  48 -10.595  -4.198  -0.899
  369    HG1  THR  48           HG1      THR  48 -11.309  -6.249  -0.284
  370   1HG2  THR  48          1HG2      THR  48 -12.772  -3.331  -1.585
  371   2HG2  THR  48          2HG2      THR  48 -13.253  -4.938  -2.178
  372   3HG2  THR  48          3HG2      THR  48 -13.001  -4.659  -0.443
  373    H    GLY  49           H        GLY  49  -9.047  -2.520  -3.026
  374   1HA   GLY  49          1HA       GLY  49  -9.257  -0.382  -3.873
  375   2HA   GLY  49          2HA       GLY  49 -10.747  -0.826  -4.720
  376    H    LEU  50           H        LEU  50  -9.411   0.440  -1.769
  377    HA   LEU  50           HA       LEU  50 -11.808   0.776  -0.265
  378   1HB   LEU  50          1HB       LEU  50  -9.240   1.201   0.233
  379   2HB   LEU  50          2HB       LEU  50  -9.601   2.827  -0.288
  380    HG   LEU  50           HG       LEU  50 -11.637   2.194   1.599
  381   1HD1  LEU  50          1HD1      LEU  50 -10.353   0.217   2.286
  382   2HD1  LEU  50          2HD1      LEU  50  -8.909   1.217   2.529
  383   3HD1  LEU  50          3HD1      LEU  50 -10.330   1.448   3.565
  384   1HD2  LEU  50          1HD2      LEU  50  -9.021   3.721   1.956
  385   2HD2  LEU  50          2HD2      LEU  50 -10.536   4.391   1.308
  386   3HD2  LEU  50          3HD2      LEU  50 -10.453   3.859   2.998
  387    H    ASN  51           H        ASN  51 -12.753   2.973   0.144
  388    HA   ASN  51           HA       ASN  51 -14.260   3.744  -2.024
  389   1HB   ASN  51          1HB       ASN  51 -13.652   5.648   0.302
  390   2HB   ASN  51          2HB       ASN  51 -15.102   5.602  -0.692
  391   1HD2  ASN  51          1HD2      ASN  51 -13.245   4.160   1.903
  392   2HD2  ASN  51          2HD2      ASN  51 -14.154   2.672   2.004
  393    H    ALA  52           H        ALA  52 -11.725   5.682  -0.600
  394    HA   ALA  52           HA       ALA  52 -11.376   7.409  -2.960
  395   1HB   ALA  52          1HB       ALA  52 -11.368   8.265  -0.626
  396   2HB   ALA  52          2HB       ALA  52  -9.916   7.307  -0.290
  397   3HB   ALA  52          3HB       ALA  52  -9.864   8.633  -1.486
  398    H    MET  53           H        MET  53 -10.595   4.322  -2.835
  399    HA   MET  53           HA       MET  53  -7.855   4.764  -3.979
  400   1HB   MET  53          1HB       MET  53  -8.113   3.900  -1.595
  401   2HB   MET  53          2HB       MET  53  -8.650   2.367  -2.316
  402   1HG   MET  53          1HG       MET  53  -6.460   2.032  -3.306
  403   2HG   MET  53          2HG       MET  53  -6.081   3.735  -3.041
  404   1HE   MET  53          1HE       MET  53  -6.848   0.352  -1.111
  405   2HE   MET  53          2HE       MET  53  -5.254   0.402  -1.914
  406   3HE   MET  53          3HE       MET  53  -5.370   0.370  -0.131
  407    HA   PRO  54           HA       PRO  54  -9.492   2.471  -7.372
  408   1HB   PRO  54          1HB       PRO  54  -7.219   1.859  -8.824
  409   2HB   PRO  54          2HB       PRO  54  -7.979   3.474  -8.753
  410   1HG   PRO  54          1HG       PRO  54  -5.632   2.463  -7.150
  411   2HG   PRO  54          2HG       PRO  54  -5.802   4.029  -7.993
  412   1HD   PRO  54          1HD       PRO  54  -6.212   3.695  -5.315
  413   2HD   PRO  54          2HD       PRO  54  -7.141   4.895  -6.260
  414    HA   PRO  55           HA       PRO  55  -9.286  -1.791  -6.039
  415   1HB   PRO  55          1HB       PRO  55 -10.102  -3.137  -8.273
  416   2HB   PRO  55          2HB       PRO  55 -11.199  -2.132  -7.284
  417   1HG   PRO  55          1HG       PRO  55  -9.771  -1.339  -9.833
  418   2HG   PRO  55          2HG       PRO  55 -11.498  -1.116  -9.428
  419   1HD   PRO  55          1HD       PRO  55  -9.678   0.875  -9.130
  420   2HD   PRO  55          2HD       PRO  55 -11.005   0.669  -7.946
  421    H    GLY  56           H        GLY  56  -7.563  -3.210  -5.751
  422   1HA   GLY  56          1HA       GLY  56  -5.550  -4.243  -6.341
  423   2HA   GLY  56          2HA       GLY  56  -5.704  -3.634  -7.963
  424    H    GLY  57           H        GLY  57  -6.107  -1.185  -5.542
  425   1HA   GLY  57          1HA       GLY  57  -4.909   0.699  -5.107
  426   2HA   GLY  57          2HA       GLY  57  -3.582  -0.394  -4.743
  427    H    MET  58           H        MET  58  -5.055   0.043  -7.923
  428    HA   MET  58           HA       MET  58  -4.403   0.881  -9.874
  429   1HB   MET  58          1HB       MET  58  -3.316   2.762  -8.117
  430   2HB   MET  58          2HB       MET  58  -1.957   2.381  -9.163
  431   1HG   MET  58          1HG       MET  58  -4.765   3.161 -10.047
  432   2HG   MET  58          2HG       MET  58  -3.414   4.282  -9.929
  433   1HE   MET  58          1HE       MET  58  -1.832   4.819 -11.826
  434   2HE   MET  58          2HE       MET  58  -0.999   3.332 -11.293
  435   3HE   MET  58          3HE       MET  58  -1.317   3.612 -13.025
  436    H    CYS  59           H        CYS  59  -3.620  -1.689  -9.071
  437    HA   CYS  59           HA       CYS  59  -1.450  -2.118 -11.085
  438   1HB   CYS  59          1HB       CYS  59  -0.855  -2.634  -8.652
  439   2HB   CYS  59          2HB       CYS  59  -2.051  -3.935  -8.742
  440    H    THR  60           H        THR  60  -1.632  -4.215 -12.202
  441    HA   THR  60           HA       THR  60  -4.459  -4.886 -12.866
  442    HB   THR  60           HB       THR  60  -1.891  -5.412 -14.389
  443    HG1  THR  60           HG1      THR  60  -2.978  -3.714 -15.727
  444   1HG2  THR  60          1HG2      THR  60  -3.671  -6.995 -15.044
  445   2HG2  THR  60          2HG2      THR  60  -4.807  -5.641 -15.246
  446   3HG2  THR  60          3HG2      THR  60  -3.398  -5.798 -16.316
  447    H    ASP  61           H        ASP  61  -1.335  -6.687 -12.728
  448    HA   ASP  61           HA       ASP  61  -2.775  -9.060 -11.626
  449   1HB   ASP  61          1HB       ASP  61  -2.217  -9.214 -14.066
  450   2HB   ASP  61          2HB       ASP  61  -0.500  -9.010 -13.658
  451    H    CYS  62           H        CYS  62  -1.784  -7.222  -9.872
  452    HA   CYS  62           HA       CYS  62   0.899  -7.982  -8.957
  453   1HB   CYS  62          1HB       CYS  62  -1.333  -6.312  -7.830
  454   2HB   CYS  62          2HB       CYS  62  -0.020  -6.895  -6.795
  455    H    THR  63           H        THR  63   1.339  -9.909  -8.101
  456    HA   THR  63           HA       THR  63  -0.762 -11.573  -6.821
  457    HB   THR  63           HB       THR  63   0.601 -12.866  -8.218
  458    HG1  THR  63           HG1      THR  63   1.779 -14.119  -6.640
  459   1HG2  THR  63          1HG2      THR  63   2.496 -11.452  -8.704
  460   2HG2  THR  63          2HG2      THR  63   3.048 -11.487  -7.017
  461   3HG2  THR  63          3HG2      THR  63   3.108 -12.950  -8.013
  462    H    ASP  64           H        ASP  64  -0.859 -11.928  -4.632
  463    HA   ASP  64           HA       ASP  64  -0.107 -10.254  -2.627
  464   1HB   ASP  64          1HB       ASP  64  -0.687 -13.180  -2.825
  465   2HB   ASP  64          2HB       ASP  64  -0.190 -12.473  -1.297
  466    H    GLU  65           H        GLU  65   1.977 -12.838  -3.986
  467    HA   GLU  65           HA       GLU  65   4.210 -12.750  -2.340
  468   1HB   GLU  65          1HB       GLU  65   3.930 -12.939  -5.362
  469   2HB   GLU  65          2HB       GLU  65   5.475 -13.178  -4.553
  470   1HG   GLU  65          1HG       GLU  65   3.010 -14.826  -3.808
  471   2HG   GLU  65          2HG       GLU  65   4.120 -15.279  -5.100
  472    H    ASP  66           H        ASP  66   3.638 -10.472  -5.077
  473    HA   ASP  66           HA       ASP  66   5.901  -8.805  -4.116
  474   1HB   ASP  66          1HB       ASP  66   4.218  -8.778  -6.649
  475   2HB   ASP  66          2HB       ASP  66   5.447  -7.569  -6.216
  476    H    TYR  67           H        TYR  67   2.368  -8.796  -4.297
  477    HA   TYR  67           HA       TYR  67   1.826  -6.108  -3.711
  478   1HB   TYR  67          1HB       TYR  67   0.439  -8.572  -3.872
  479   2HB   TYR  67          2HB       TYR  67   0.031  -7.978  -2.287
  480    HD1  TYR  67           HD1      TYR  67  -1.776  -8.675  -4.566
  481    HD2  TYR  67           HD2      TYR  67  -0.035  -4.905  -3.378
  482    HE1  TYR  67           HE1      TYR  67  -3.371  -7.468  -6.019
  483    HE2  TYR  67           HE2      TYR  67  -1.572  -3.728  -4.927
  484    HH   TYR  67           HH       TYR  67  -2.976  -4.027  -6.722
  485    H    LYS  68           H        LYS  68   2.617  -8.786  -1.522
  486    HA   LYS  68           HA       LYS  68   2.253  -7.287   0.928
  487   1HB   LYS  68          1HB       LYS  68   2.844  -9.227   2.069
  488   2HB   LYS  68          2HB       LYS  68   1.987  -9.793   0.637
  489   1HG   LYS  68          1HG       LYS  68   4.363 -10.056  -0.406
  490   2HG   LYS  68          2HG       LYS  68   4.966  -9.881   1.256
  491   1HD   LYS  68          1HD       LYS  68   3.464 -11.866   1.849
  492   2HD   LYS  68          2HD       LYS  68   3.109 -12.008   0.114
  493   1HE   LYS  68          1HE       LYS  68   5.750 -11.996  -0.176
  494   2HE   LYS  68          2HE       LYS  68   5.770 -12.359   1.555
  495   1HZ   LYS  68          1HZ       LYS  68   4.287 -14.309   0.918
  496   2HZ   LYS  68          2HZ       LYS  68   4.682 -14.023  -0.653
  497   3HZ   LYS  68          3HZ       LYS  68   5.839 -14.392   0.376
  498    H    ALA  69           H        ALA  69   5.071  -8.276  -1.068
  499    HA   ALA  69           HA       ALA  69   7.128  -7.135   0.544
  500   1HB   ALA  69          1HB       ALA  69   7.583  -8.697  -1.250
  501   2HB   ALA  69          2HB       ALA  69   6.898  -7.568  -2.433
  502   3HB   ALA  69          3HB       ALA  69   8.402  -7.151  -1.579
  503    H    ALA  70           H        ALA  70   4.881  -5.748  -1.783
  504    HA   ALA  70           HA       ALA  70   6.205  -3.261  -2.241
  505   1HB   ALA  70          1HB       ALA  70   4.434  -4.156  -3.705
  506   2HB   ALA  70          2HB       ALA  70   3.227  -3.855  -2.437
  507   3HB   ALA  70          3HB       ALA  70   4.088  -2.503  -3.179
  508    H    ILE  71           H        ILE  71   3.660  -4.126   0.174
  509    HA   ILE  71           HA       ILE  71   3.812  -1.523   1.457
  510    HB   ILE  71           HB       ILE  71   2.358  -2.700   3.091
  511   1HG1  ILE  71          1HG1      ILE  71   2.179  -4.954   1.093
  512   2HG1  ILE  71          2HG1      ILE  71   3.004  -5.031   2.668
  513   1HG2  ILE  71          1HG2      ILE  71   1.567  -1.245   1.341
  514   2HG2  ILE  71          2HG2      ILE  71   1.495  -2.596   0.179
  515   3HG2  ILE  71          3HG2      ILE  71   0.385  -2.536   1.559
  516   1HD1  ILE  71          1HD1      ILE  71   0.868  -4.565   3.798
  517   2HD1  ILE  71          2HD1      ILE  71   0.034  -4.618   2.230
  518   3HD1  ILE  71          3HD1      ILE  71   0.859  -6.060   2.845
  519    H    GLU  72           H        GLU  72   5.129  -4.775   2.032
  520    HA   GLU  72           HA       GLU  72   6.348  -4.083   4.531
  521   1HB   GLU  72          1HB       GLU  72   7.061  -6.282   2.598
  522   2HB   GLU  72          2HB       GLU  72   8.044  -5.913   4.010
  523   1HG   GLU  72          1HG       GLU  72   5.516  -6.026   5.133
  524   2HG   GLU  72          2HG       GLU  72   5.435  -7.242   3.868
  525    H    PHE  73           H        PHE  73   7.473  -3.558   1.266
  526    HA   PHE  73           HA       PHE  73  10.047  -2.597   1.837
  527   1HB   PHE  73          1HB       PHE  73   9.021  -2.824  -0.421
  528   2HB   PHE  73          2HB       PHE  73   8.097  -1.357  -0.135
  529    HD1  PHE  73           HD1      PHE  73   9.426   0.841   0.329
  530    HD2  PHE  73           HD2      PHE  73  11.240  -2.742  -1.256
  531    HE1  PHE  73           HE1      PHE  73  11.338   2.166  -0.490
  532    HE2  PHE  73           HE2      PHE  73  13.133  -1.386  -2.105
  533    HZ   PHE  73           HZ       PHE  73  13.182   1.055  -1.740
  534    H    MET  74           H        MET  74   6.955  -0.796   2.225
  535    HA   MET  74           HA       MET  74   8.239   1.703   2.841
  536   1HB   MET  74          1HB       MET  74   5.436   0.602   3.125
  537   2HB   MET  74          2HB       MET  74   5.880   2.154   3.855
  538   1HG   MET  74          1HG       MET  74   5.088   2.932   1.891
  539   2HG   MET  74          2HG       MET  74   6.763   2.704   1.423
  540   1HE   MET  74          1HE       MET  74   2.994   1.370   0.995
  541   2HE   MET  74          2HE       MET  74   3.522   2.759   0.006
  542   3HE   MET  74          3HE       MET  74   3.168   1.187  -0.743
  543    H    SER  75           H        SER  75   6.143  -0.122   5.068
  544    HA   SER  75           HA       SER  75   8.154  -0.032   7.221
  545   1HB   SER  75          1HB       SER  75   6.786   2.269   7.026
  546   2HB   SER  75          2HB       SER  75   5.586   1.339   7.940
  547    HG   SER  75           HG       SER  75   7.071   2.465   9.278
  548    H    LYS  76           H        LYS  76   6.557  -2.012   5.735
  549    HA   LYS  76           HA       LYS  76   4.999  -3.690   6.005
  550   1HB   LYS  76          1HB       LYS  76   5.999  -5.367   7.494
  551   2HB   LYS  76          2HB       LYS  76   7.177  -4.662   6.400
  552   1HG   LYS  76          1HG       LYS  76   8.229  -3.359   8.009
  553   2HG   LYS  76          2HG       LYS  76   6.938  -3.560   9.213
  554   1HD   LYS  76          1HD       LYS  76   8.520  -5.878   8.040
  555   2HD   LYS  76          2HD       LYS  76   9.045  -5.045   9.511
  556   1HE   LYS  76          1HE       LYS  76   7.442  -6.039  10.810
  557   2HE   LYS  76          2HE       LYS  76   6.170  -5.779   9.630
  558   1HZ   LYS  76          1HZ       LYS  76   7.020  -7.621   8.319
  559   2HZ   LYS  76          2HZ       LYS  76   8.137  -7.949   9.489
  560   3HZ   LYS  76          3HZ       LYS  76   6.531  -8.097   9.833
  561    H    ALA  77           H        ALA  77   3.379  -2.097   6.675
  562    HA   ALA  77           HA       ALA  77   2.043  -3.186   9.099
  563   1HB   ALA  77          1HB       ALA  77   3.473  -0.956   9.418
  564   2HB   ALA  77          2HB       ALA  77   1.999  -0.206   8.755
  565   3HB   ALA  77          3HB       ALA  77   1.932  -1.208  10.202
  566    H    LYS  78           H        LYS  78   1.605  -0.811   6.497
  567    HA   LYS  78           HA       LYS  78  -1.173  -1.807   6.099
  568   1HB   LYS  78          1HB       LYS  78  -1.942   0.384   5.693
  569   2HB   LYS  78          2HB       LYS  78  -1.125   0.303   7.207
  570   1HG   LYS  78          1HG       LYS  78   0.195   2.020   6.715
  571   2HG   LYS  78          2HG       LYS  78   0.828   1.154   5.352
  572   1HD   LYS  78          1HD       LYS  78  -1.694   2.071   4.410
  573   2HD   LYS  78          2HD       LYS  78  -1.138   3.358   5.471
  574   1HE   LYS  78          1HE       LYS  78  -0.362   3.801   3.204
  575   2HE   LYS  78          2HE       LYS  78   0.982   3.448   4.227
  576   1HZ   LYS  78          1HZ       LYS  78   0.737   1.070   3.309
  577   2HZ   LYS  78          2HZ       LYS  78  -0.338   1.647   2.263
  578   3HZ   LYS  78          3HZ       LYS  78   1.216   2.188   2.195
  579    HHA  HEC  90           HHA      HEC  90  -6.131   4.172   3.294
  580    HHB  HEC  90           HHB      HEC  90  -1.700   0.057   1.102
  581    HHC  HEC  90           HHC      HEC  90  -2.046   2.853  -4.702
  582    HHD  HEC  90           HHD      HEC  90  -5.812   7.471  -2.195
  583   1HMA  HEC  90          1HMA      HEC  90  -3.386  -0.995   2.733
  584   2HMA  HEC  90          2HMA      HEC  90  -2.020  -0.113   3.415
  585   3HMA  HEC  90          3HMA      HEC  90  -3.521  -0.306   4.361
  586   1HAA  HEC  90          1HAA      HEC  90  -5.216   2.997   5.025
  587   2HAA  HEC  90          2HAA      HEC  90  -4.568   1.400   5.322
  588   1HBA  HEC  90          1HBA      HEC  90  -6.508   0.370   4.170
  589   2HBA  HEC  90          2HBA      HEC  90  -7.157   1.980   3.814
  590   1HMB  HEC  90          1HMB      HEC  90  -0.651  -1.526  -1.002
  591   2HMB  HEC  90          2HMB      HEC  90   0.722  -0.668  -1.707
  592   3HMB  HEC  90          3HMB      HEC  90   0.238  -0.298  -0.083
  593    HAB  HEC  90           HAB      HEC  90  -0.594   1.352  -4.831
  594   1HBB  HEC  90          1HBB      HEC  90  -1.446  -1.016  -4.579
  595   2HBB  HEC  90          2HBB      HEC  90   0.129  -0.827  -5.362
  596   3HBB  HEC  90          3HBB      HEC  90   0.039  -1.383  -3.689
  597   1HMC  HEC  90          1HMC      HEC  90  -3.899   4.885  -6.741
  598   2HMC  HEC  90          2HMC      HEC  90  -2.526   5.968  -6.373
  599   3HMC  HEC  90          3HMC      HEC  90  -2.360   4.245  -6.225
  600    HAC  HEC  90           HAC      HEC  90  -5.976   7.369  -4.669
  601   1HBC  HEC  90          1HBC      HEC  90  -4.955   6.783  -6.841
  602   2HBC  HEC  90          2HBC      HEC  90  -5.194   8.511  -6.591
  603   3HBC  HEC  90          3HBC      HEC  90  -3.577   7.857  -6.405
  604   1HMD  HEC  90          1HMD      HEC  90  -7.776   8.172  -0.752
  605   2HMD  HEC  90          2HMD      HEC  90  -7.531   8.799   0.885
  606   3HMD  HEC  90          3HMD      HEC  90  -6.280   8.998  -0.323
  607   1HAD  HEC  90          1HAD      HEC  90  -8.433   6.072   2.570
  608   2HAD  HEC  90          2HAD      HEC  90  -7.747   7.677   2.630
  609   1HBD  HEC  90          1HBD      HEC  90  -5.903   6.316   4.137
  610   2HBD  HEC  90          2HBD      HEC  90  -7.410   5.472   4.538
  Start of MODEL    6
    1   1H    ALA  -3          1H        ALA  -3   1.943  -3.927 -17.853
    2   2H    ALA  -3          2H        ALA  -3   0.817  -2.740 -18.076
    3   3H    ALA  -3          3H        ALA  -3   2.441  -2.378 -18.009
    4    HA   ALA  -3           HA       ALA  -3   1.218  -1.790 -15.972
    5   1HB   ALA  -3          1HB       ALA  -3  -0.230  -3.834 -16.047
    6   2HB   ALA  -3          2HB       ALA  -3   1.185  -4.819 -15.617
    7   3HB   ALA  -3          3HB       ALA  -3   0.561  -3.594 -14.485
    8    H    ASP  -2           H        ASP  -2   2.457  -3.456 -13.790
    9    HA   ASP  -2           HA       ASP  -2   5.086  -4.198 -14.495
   10   1HB   ASP  -2          1HB       ASP  -2   5.450  -1.698 -14.319
   11   2HB   ASP  -2          2HB       ASP  -2   4.949  -1.806 -12.615
   12    H    LEU  -1           H        LEU  -1   5.616  -5.771 -13.100
   13    HA   LEU  -1           HA       LEU  -1   4.897  -5.579 -10.355
   14   1HB   LEU  -1          1HB       LEU  -1   3.762  -7.531  -9.920
   15   2HB   LEU  -1          2HB       LEU  -1   2.902  -6.716 -11.207
   16    HG   LEU  -1           HG       LEU  -1   2.778  -8.643 -12.253
   17   1HD1  LEU  -1          1HD1      LEU  -1   4.713  -7.894 -13.615
   18   2HD1  LEU  -1          2HD1      LEU  -1   5.786  -8.868 -12.575
   19   3HD1  LEU  -1          3HD1      LEU  -1   4.514  -9.643 -13.508
   20   1HD2  LEU  -1          1HD2      LEU  -1   4.842  -9.854 -10.371
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.101  -9.746 -10.074
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.706 -10.728 -11.412
   23    H    GLN   1           H        GLN   1   7.280  -5.437 -11.900
   24    HA   GLN   1           HA       GLN   1   8.592  -8.059 -11.379
   25   1HB   GLN   1          1HB       GLN   1   8.678  -6.243 -13.540
   26   2HB   GLN   1          2HB       GLN   1  10.262  -6.095 -12.766
   27   1HG   GLN   1          1HG       GLN   1  10.497  -8.582 -12.816
   28   2HG   GLN   1          2HG       GLN   1   8.917  -8.703 -13.615
   29   1HE2  GLN   1          1HE2      GLN   1  11.212  -9.849 -14.750
   30   2HE2  GLN   1          2HE2      GLN   1  11.573  -8.931 -16.209
   31    H    ASP   2           H        ASP   2   8.549  -4.933  -9.950
   32    HA   ASP   2           HA       ASP   2  10.301  -5.995  -7.904
   33   1HB   ASP   2          1HB       ASP   2  11.816  -4.638  -9.396
   34   2HB   ASP   2          2HB       ASP   2  10.853  -3.204  -8.999
   35    H    ALA   3           H        ALA   3   9.419  -5.583  -6.015
   36    HA   ALA   3           HA       ALA   3   6.881  -4.479  -5.456
   37   1HB   ALA   3          1HB       ALA   3   8.088  -6.005  -4.067
   38   2HB   ALA   3          2HB       ALA   3   9.403  -4.835  -3.812
   39   3HB   ALA   3          3HB       ALA   3   7.787  -4.504  -3.148
   40    H    GLU   4           H        GLU   4  10.131  -2.949  -5.526
   41    HA   GLU   4           HA       GLU   4   9.365  -0.379  -4.556
   42   1HB   GLU   4          1HB       GLU   4  11.683  -1.035  -4.732
   43   2HB   GLU   4          2HB       GLU   4  11.581  -1.173  -6.486
   44   1HG   GLU   4          1HG       GLU   4  11.262   1.197  -6.763
   45   2HG   GLU   4          2HG       GLU   4  10.888   1.436  -5.052
   46    H    ALA   5           H        ALA   5   9.442  -1.788  -7.850
   47    HA   ALA   5           HA       ALA   5   8.676   0.686  -9.155
   48   1HB   ALA   5          1HB       ALA   5   9.989  -1.086 -10.274
   49   2HB   ALA   5          2HB       ALA   5   8.568  -2.159 -10.224
   50   3HB   ALA   5          3HB       ALA   5   8.514  -0.646 -11.152
   51    H    ILE   6           H        ILE   6   6.930  -2.159  -7.903
   52    HA   ILE   6           HA       ILE   6   4.350  -1.468  -8.963
   53    HB   ILE   6           HB       ILE   6   5.286  -2.980  -6.505
   54   1HG1  ILE   6          1HG1      ILE   6   3.695  -4.031  -8.851
   55   2HG1  ILE   6          2HG1      ILE   6   5.448  -3.826  -8.978
   56   1HG2  ILE   6          1HG2      ILE   6   3.120  -2.080  -5.812
   57   2HG2  ILE   6          2HG2      ILE   6   2.405  -2.484  -7.387
   58   3HG2  ILE   6          3HG2      ILE   6   2.876  -3.759  -6.250
   59   1HD1  ILE   6          1HD1      ILE   6   5.920  -5.411  -7.323
   60   2HD1  ILE   6          2HD1      ILE   6   4.277  -5.399  -6.653
   61   3HD1  ILE   6          3HD1      ILE   6   4.587  -6.143  -8.220
   62    H    TYR   7           H        TYR   7   5.830  -0.653  -5.686
   63    HA   TYR   7           HA       TYR   7   3.536   0.990  -5.237
   64   1HB   TYR   7          1HB       TYR   7   4.230   1.402  -3.125
   65   2HB   TYR   7          2HB       TYR   7   5.139  -0.057  -3.452
   66    HD1  TYR   7           HD1      TYR   7   7.532   0.018  -3.301
   67    HD2  TYR   7           HD2      TYR   7   5.258   3.672  -3.262
   68    HE1  TYR   7           HE1      TYR   7   9.631   1.342  -3.084
   69    HE2  TYR   7           HE2      TYR   7   7.345   4.976  -2.968
   70    HH   TYR   7           HH       TYR   7   9.638   4.891  -3.000
   71    H    ASN   8           H        ASN   8   6.740   1.754  -6.401
   72    HA   ASN   8           HA       ASN   8   6.468   4.571  -6.389
   73   1HB   ASN   8          1HB       ASN   8   8.581   3.230  -6.341
   74   2HB   ASN   8          2HB       ASN   8   8.295   2.784  -8.037
   75   1HD2  ASN   8          1HD2      ASN   8  10.160   3.740  -8.853
   76   2HD2  ASN   8          2HD2      ASN   8  10.422   5.478  -8.772
   77    H    LYS   9           H        LYS   9   5.400   2.166  -8.796
   78    HA   LYS   9           HA       LYS   9   4.603   4.317 -10.643
   79   1HB   LYS   9          1HB       LYS   9   5.669   2.140 -11.264
   80   2HB   LYS   9          2HB       LYS   9   4.156   1.336 -10.769
   81   1HG   LYS   9          1HG       LYS   9   2.944   2.631 -12.478
   82   2HG   LYS   9          2HG       LYS   9   4.433   3.487 -12.927
   83   1HD   LYS   9          1HD       LYS   9   5.328   1.672 -14.062
   84   2HD   LYS   9          2HD       LYS   9   4.859   0.565 -12.796
   85   1HE   LYS   9          1HE       LYS   9   3.511  -0.289 -14.338
   86   2HE   LYS   9          2HE       LYS   9   2.402   0.916 -13.700
   87   1HZ   LYS   9          1HZ       LYS   9   3.219   2.396 -15.518
   88   2HZ   LYS   9          2HZ       LYS   9   4.117   1.152 -16.109
   89   3HZ   LYS   9          3HZ       LYS   9   2.476   1.054 -16.112
   90    H    ALA  10           H        ALA  10   3.146   2.359  -8.082
   91    HA   ALA  10           HA       ALA  10   0.384   3.062  -9.043
   92   1HB   ALA  10          1HB       ALA  10   0.967   0.643  -8.947
   93   2HB   ALA  10          2HB       ALA  10   1.144   0.790  -7.185
   94   3HB   ALA  10          3HB       ALA  10  -0.416   1.114  -7.950
   95    H    CYS  11           H        CYS  11   1.979   2.421  -5.859
   96    HA   CYS  11           HA       CYS  11   0.075   4.139  -4.454
   97   1HB   CYS  11          1HB       CYS  11   2.510   3.174  -3.090
   98   2HB   CYS  11          2HB       CYS  11   0.840   3.168  -2.549
   99    H    THR  12           H        THR  12   1.303   5.591  -6.405
  100    HA   THR  12           HA       THR  12   3.430   7.228  -5.091
  101    HB   THR  12           HB       THR  12   4.141   5.592  -6.886
  102    HG1  THR  12           HG1      THR  12   4.448   8.348  -7.359
  103   1HG2  THR  12          1HG2      THR  12   2.151   5.910  -8.406
  104   2HG2  THR  12          2HG2      THR  12   2.685   7.569  -8.736
  105   3HG2  THR  12          3HG2      THR  12   3.687   6.217  -9.232
  106    H    VAL  13           H        VAL  13   0.368   7.461  -6.080
  107    HA   VAL  13           HA       VAL  13   0.580  10.198  -7.238
  108    HB   VAL  13           HB       VAL  13  -1.771   8.258  -6.949
  109   1HG1  VAL  13          1HG1      VAL  13  -2.433  10.603  -7.122
  110   2HG1  VAL  13          2HG1      VAL  13  -1.349  10.814  -8.519
  111   3HG1  VAL  13          3HG1      VAL  13  -2.784   9.758  -8.644
  112   1HG2  VAL  13          1HG2      VAL  13   0.085   8.799  -9.307
  113   2HG2  VAL  13          2HG2      VAL  13  -0.128   7.253  -8.457
  114   3HG2  VAL  13          3HG2      VAL  13  -1.455   7.924  -9.408
  115    H    CYS  14           H        CYS  14  -1.077   8.309  -4.793
  116    HA   CYS  14           HA       CYS  14  -2.085  10.594  -3.293
  117   1HB   CYS  14          1HB       CYS  14  -2.340   7.599  -3.190
  118   2HB   CYS  14          2HB       CYS  14  -3.295   8.708  -2.184
  119    H    HIS  15           H        HIS  15  -0.280   7.621  -2.503
  120    HA   HIS  15           HA       HIS  15   0.245   8.445   0.184
  121   1HB   HIS  15          1HB       HIS  15   1.202   6.153  -1.569
  122   2HB   HIS  15          2HB       HIS  15   1.719   6.346   0.099
  123    HD1  HIS  15           HD1      HIS  15   0.437   5.047   1.703
  124    HD2  HIS  15           HD2      HIS  15  -1.647   5.870  -1.808
  125    HE1  HIS  15           HE1      HIS  15  -1.610   3.548   1.761
  126    H    SER  16           H        SER  16   1.960   9.096  -2.698
  127    HA   SER  16           HA       SER  16   4.656   9.128  -1.718
  128   1HB   SER  16          1HB       SER  16   3.924   9.126  -4.120
  129   2HB   SER  16          2HB       SER  16   3.548  10.852  -3.978
  130    HG   SER  16           HG       SER  16   5.746  10.257  -4.717
  131    H    MET  17           H        MET  17   2.230  11.728  -2.098
  132    HA   MET  17           HA       MET  17   3.799  13.447  -0.239
  133   1HB   MET  17          1HB       MET  17   2.783  14.097  -2.709
  134   2HB   MET  17          2HB       MET  17   1.459  14.610  -1.654
  135   1HG   MET  17          1HG       MET  17   2.919  16.497  -1.784
  136   2HG   MET  17          2HG       MET  17   3.263  15.751  -0.221
  137   1HE   MET  17          1HE       MET  17   5.325  17.605  -0.567
  138   2HE   MET  17          2HE       MET  17   5.653  16.189   0.471
  139   3HE   MET  17          3HE       MET  17   6.869  16.724  -0.710
  140    H    GLY  18           H        GLY  18   0.695  11.788  -0.579
  141   1HA   GLY  18          1HA       GLY  18  -0.746  11.291   1.224
  142   2HA   GLY  18          2HA       GLY  18  -0.197  12.705   2.125
  143    H    VAL  19           H        VAL  19  -1.597  11.986  -1.100
  144    HA   VAL  19           HA       VAL  19  -3.347  14.403  -0.963
  145    HB   VAL  19           HB       VAL  19  -2.383  12.720  -3.306
  146   1HG1  VAL  19          1HG1      VAL  19  -4.627  13.442  -3.876
  147   2HG1  VAL  19          2HG1      VAL  19  -4.281  15.098  -3.307
  148   3HG1  VAL  19          3HG1      VAL  19  -3.465  14.441  -4.739
  149   1HG2  VAL  19          1HG2      VAL  19  -1.832  15.607  -2.515
  150   2HG2  VAL  19          2HG2      VAL  19  -0.690  14.251  -2.393
  151   3HG2  VAL  19          3HG2      VAL  19  -1.242  14.790  -3.979
  152    H    ALA  20           H        ALA  20  -5.543  14.144  -1.737
  153    HA   ALA  20           HA       ALA  20  -7.644  13.299  -1.415
  154   1HB   ALA  20          1HB       ALA  20  -6.901  11.859  -3.310
  155   2HB   ALA  20          2HB       ALA  20  -6.396  10.620  -2.141
  156   3HB   ALA  20          3HB       ALA  20  -8.103  11.076  -2.265
  157    H    GLY  21           H        GLY  21  -5.701  13.286   0.855
  158   1HA   GLY  21          1HA       GLY  21  -5.928  12.908   3.141
  159   2HA   GLY  21          2HA       GLY  21  -7.336  11.881   2.853
  160    H    ALA  22           H        ALA  22  -4.748  10.866   0.816
  161    HA   ALA  22           HA       ALA  22  -4.571   8.385   2.074
  162   1HB   ALA  22          1HB       ALA  22  -4.059   8.694  -0.259
  163   2HB   ALA  22          2HB       ALA  22  -2.643   9.694   0.125
  164   3HB   ALA  22          3HB       ALA  22  -2.652   7.971   0.527
  165    HA   PRO  23           HA       PRO  23  -1.422   8.818   5.377
  166   1HB   PRO  23          1HB       PRO  23  -0.557   6.387   5.427
  167   2HB   PRO  23          2HB       PRO  23  -2.266   6.703   5.886
  168   1HG   PRO  23          1HG       PRO  23  -1.215   5.754   3.233
  169   2HG   PRO  23          2HG       PRO  23  -2.494   4.960   4.215
  170   1HD   PRO  23          1HD       PRO  23  -3.147   6.655   2.255
  171   2HD   PRO  23          2HD       PRO  23  -3.990   6.770   3.826
  172    H    LYS  24           H        LYS  24   0.915   8.552   5.493
  173    HA   LYS  24           HA       LYS  24   2.129   9.247   2.867
  174   1HB   LYS  24          1HB       LYS  24   2.483  10.152   5.486
  175   2HB   LYS  24          2HB       LYS  24   3.998   9.327   5.102
  176   1HG   LYS  24          1HG       LYS  24   4.315  10.793   3.167
  177   2HG   LYS  24          2HG       LYS  24   2.662  11.425   3.326
  178   1HD   LYS  24          1HD       LYS  24   3.295  12.268   5.663
  179   2HD   LYS  24          2HD       LYS  24   4.943  11.752   5.331
  180   1HE   LYS  24          1HE       LYS  24   4.900  14.080   4.887
  181   2HE   LYS  24          2HE       LYS  24   4.914  13.318   3.291
  182   1HZ   LYS  24          1HZ       LYS  24   2.534  13.736   3.132
  183   2HZ   LYS  24          2HZ       LYS  24   2.494  14.318   4.682
  184   3HZ   LYS  24          3HZ       LYS  24   3.291  15.121   3.492
  185    H    SER  25           H        SER  25   3.809   8.234   1.912
  186    HA   SER  25           HA       SER  25   4.200   5.525   1.779
  187   1HB   SER  25          1HB       SER  25   6.449   6.145   0.839
  188   2HB   SER  25          2HB       SER  25   5.116   7.131   0.212
  189    HG   SER  25           HG       SER  25   6.793   8.518   0.831
  190    H    HIS  26           H        HIS  26   6.459   7.631   3.566
  191    HA   HIS  26           HA       HIS  26   7.076   5.437   5.453
  192   1HB   HIS  26          1HB       HIS  26   9.214   6.029   5.603
  193   2HB   HIS  26          2HB       HIS  26   8.947   6.500   3.930
  194    HD1  HIS  26           HD1      HIS  26   9.868   7.870   7.323
  195    HD2  HIS  26           HD2      HIS  26   8.633   9.303   3.563
  196    HE1  HIS  26           HE1      HIS  26  10.295  10.385   7.324
  197    H    ASN  27           H        ASN  27   6.090   5.691   7.225
  198    HA   ASN  27           HA       ASN  27   6.192   8.152   8.797
  199   1HB   ASN  27          1HB       ASN  27   3.716   7.109   7.500
  200   2HB   ASN  27          2HB       ASN  27   3.593   7.145   9.263
  201   1HD2  ASN  27          1HD2      ASN  27   1.903   8.677   7.522
  202   2HD2  ASN  27          2HD2      ASN  27   2.325  10.347   7.878
  203    H    THR  28           H        THR  28   5.611   7.640  11.110
  204    HA   THR  28           HA       THR  28   5.974   4.699  11.733
  205    HB   THR  28           HB       THR  28   6.474   7.134  13.479
  206    HG1  THR  28           HG1      THR  28   8.605   5.618  12.801
  207   1HG2  THR  28          1HG2      THR  28   5.983   5.132  14.828
  208   2HG2  THR  28          2HG2      THR  28   7.121   4.170  13.860
  209   3HG2  THR  28          3HG2      THR  28   7.713   5.494  14.889
  210    H    ALA  29           H        ALA  29   3.978   7.588  12.520
  211    HA   ALA  29           HA       ALA  29   2.257   6.056  14.314
  212   1HB   ALA  29          1HB       ALA  29   2.863   8.367  14.739
  213   2HB   ALA  29          2HB       ALA  29   2.025   8.874  13.246
  214   3HB   ALA  29          3HB       ALA  29   1.104   8.155  14.592
  215    H    ASP  30           H        ASP  30   2.292   6.668  10.963
  216    HA   ASP  30           HA       ASP  30  -0.553   6.272  10.430
  217   1HB   ASP  30          1HB       ASP  30   1.301   7.778   9.331
  218   2HB   ASP  30          2HB       ASP  30   1.738   6.287   8.426
  219    H    TRP  31           H        TRP  31   2.410   4.448  10.620
  220    HA   TRP  31           HA       TRP  31   1.295   1.963   9.445
  221   1HB   TRP  31          1HB       TRP  31   4.095   2.834  10.216
  222   2HB   TRP  31          2HB       TRP  31   3.674   1.216   9.667
  223    HD1  TRP  31           HD1      TRP  31   3.896   4.830   8.300
  224    HE1  TRP  31           HE1      TRP  31   4.112   4.756   5.748
  225    HE3  TRP  31           HE3      TRP  31   3.166  -0.195   7.543
  226    HZ2  TRP  31           HZ2      TRP  31   3.633   2.878   3.655
  227    HZ3  TRP  31           HZ3      TRP  31   3.011  -1.047   5.162
  228    HH2  TRP  31           HH2      TRP  31   3.256   0.447   3.310
  229    H    GLU  32           H        GLU  32   2.565   3.235  12.600
  230    HA   GLU  32           HA       GLU  32   2.530   1.002  14.189
  231   1HB   GLU  32          1HB       GLU  32   3.244   3.032  15.058
  232   2HB   GLU  32          2HB       GLU  32   1.756   3.875  14.648
  233   1HG   GLU  32          1HG       GLU  32   0.531   2.675  16.425
  234   2HG   GLU  32          2HG       GLU  32   1.983   1.722  16.793
  235    HA   PRO  33           HA       PRO  33  -2.168   1.030  15.077
  236   1HB   PRO  33          1HB       PRO  33  -3.930   2.510  13.593
  237   2HB   PRO  33          2HB       PRO  33  -3.011   3.181  14.971
  238   1HG   PRO  33          1HG       PRO  33  -2.240   3.336  12.033
  239   2HG   PRO  33          2HG       PRO  33  -2.398   4.691  13.192
  240   1HD   PRO  33          1HD       PRO  33  -0.020   3.596  12.717
  241   2HD   PRO  33          2HD       PRO  33  -0.484   3.987  14.402
  242    H    ARG  34           H        ARG  34  -0.623   0.446  12.160
  243    HA   ARG  34           HA       ARG  34  -2.809  -1.259  11.066
  244   1HB   ARG  34          1HB       ARG  34  -0.200  -0.396   9.759
  245   2HB   ARG  34          2HB       ARG  34  -1.606  -1.134   8.983
  246   1HG   ARG  34          1HG       ARG  34  -1.608   1.619  10.300
  247   2HG   ARG  34          2HG       ARG  34  -1.362   1.347   8.603
  248   1HD   ARG  34          1HD       ARG  34  -3.520   0.952   8.158
  249   2HD   ARG  34          2HD       ARG  34  -3.791  -0.031   9.590
  250    HE   ARG  34           HE       ARG  34  -3.451   2.830  10.134
  251   1HH1  ARG  34          2HH1      ARG  34  -5.946   0.935   8.758
  252   2HH1  ARG  34          1HH1      ARG  34  -6.779   3.192  11.121
  253   1HH2  ARG  34          1HH2      ARG  34  -5.163   3.814  11.281
  254   2HH2  ARG  34          2HH2      ARG  34  -7.173   1.342   9.903
  255    H    LEU  35           H        LEU  35   0.586  -1.228  12.063
  256    HA   LEU  35           HA       LEU  35   1.042  -4.074  12.188
  257   1HB   LEU  35          1HB       LEU  35   2.285  -1.529  13.201
  258   2HB   LEU  35          2HB       LEU  35   2.713  -2.977  14.087
  259    HG   LEU  35           HG       LEU  35   2.826  -3.284  11.137
  260   1HD1  LEU  35          1HD1      LEU  35   3.687  -1.004  11.350
  261   2HD1  LEU  35          2HD1      LEU  35   4.862  -1.549  12.571
  262   3HD1  LEU  35          3HD1      LEU  35   4.955  -2.145  10.898
  263   1HD2  LEU  35          1HD2      LEU  35   4.859  -3.969  13.284
  264   2HD2  LEU  35          2HD2      LEU  35   3.458  -4.997  12.909
  265   3HD2  LEU  35          3HD2      LEU  35   4.672  -4.689  11.668
  266    H    ALA  36           H        ALA  36  -1.444  -2.696  13.700
  267    HA   ALA  36           HA       ALA  36  -1.087  -3.939  16.350
  268   1HB   ALA  36          1HB       ALA  36  -2.016  -1.666  16.253
  269   2HB   ALA  36          2HB       ALA  36  -3.325  -2.226  15.189
  270   3HB   ALA  36          3HB       ALA  36  -3.218  -2.824  16.861
  271    H    LYS  37           H        LYS  37  -2.684  -4.299  13.218
  272    HA   LYS  37           HA       LYS  37  -4.182  -6.682  14.173
  273   1HB   LYS  37          1HB       LYS  37  -4.355  -5.137  11.552
  274   2HB   LYS  37          2HB       LYS  37  -5.190  -6.667  11.898
  275   1HG   LYS  37          1HG       LYS  37  -6.073  -5.523  14.023
  276   2HG   LYS  37          2HG       LYS  37  -5.577  -3.995  13.319
  277   1HD   LYS  37          1HD       LYS  37  -7.485  -5.983  11.939
  278   2HD   LYS  37          2HD       LYS  37  -8.012  -4.805  13.123
  279   1HE   LYS  37          1HE       LYS  37  -8.475  -3.581  11.283
  280   2HE   LYS  37          2HE       LYS  37  -6.833  -3.012  11.587
  281   1HZ   LYS  37          1HZ       LYS  37  -6.090  -4.639   9.936
  282   2HZ   LYS  37          2HZ       LYS  37  -7.648  -5.109   9.667
  283   3HZ   LYS  37          3HZ       LYS  37  -7.176  -3.583   9.283
  284    H    GLY  38           H        GLY  38  -1.909  -5.822  11.515
  285   1HA   GLY  38          1HA       GLY  38   0.007  -7.758  11.936
  286   2HA   GLY  38          2HA       GLY  38  -1.251  -8.643  11.062
  287    H    VAL  39           H        VAL  39  -0.819  -8.778   8.942
  288    HA   VAL  39           HA       VAL  39   0.154  -6.411   7.442
  289    HB   VAL  39           HB       VAL  39   1.544  -8.511   6.241
  290   1HG1  VAL  39          1HG1      VAL  39   2.262  -6.238   6.510
  291   2HG1  VAL  39          2HG1      VAL  39   2.443  -6.461   8.270
  292   3HG1  VAL  39          3HG1      VAL  39   3.519  -7.329   7.141
  293   1HG2  VAL  39          1HG2      VAL  39   2.015  -8.790   9.243
  294   2HG2  VAL  39          2HG2      VAL  39   1.175  -9.994   8.234
  295   3HG2  VAL  39          3HG2      VAL  39   2.874  -9.607   7.930
  296    H    ASP  40           H        ASP  40  -0.501  -9.870   6.618
  297    HA   ASP  40           HA       ASP  40  -1.676  -9.407   4.217
  298   1HB   ASP  40          1HB       ASP  40  -2.451 -11.598   6.170
  299   2HB   ASP  40          2HB       ASP  40  -2.499 -11.656   4.398
  300    H    ASN  41           H        ASN  41  -3.029  -7.793   6.513
  301    HA   ASN  41           HA       ASN  41  -5.898  -8.539   6.172
  302   1HB   ASN  41          1HB       ASN  41  -5.082  -6.140   7.760
  303   2HB   ASN  41          2HB       ASN  41  -6.258  -7.369   8.179
  304   1HD2  ASN  41          1HD2      ASN  41  -3.502  -5.977   9.211
  305   2HD2  ASN  41          2HD2      ASN  41  -2.920  -7.357  10.126
  306    H    LEU  42           H        LEU  42  -3.544  -5.909   5.705
  307    HA   LEU  42           HA       LEU  42  -5.554  -4.052   4.687
  308   1HB   LEU  42          1HB       LEU  42  -2.553  -3.931   5.117
  309   2HB   LEU  42          2HB       LEU  42  -3.549  -2.576   4.612
  310    HG   LEU  42           HG       LEU  42  -4.670  -3.876   7.008
  311   1HD1  LEU  42          1HD1      LEU  42  -2.280  -4.348   7.462
  312   2HD1  LEU  42          2HD1      LEU  42  -1.918  -2.625   7.231
  313   3HD1  LEU  42          3HD1      LEU  42  -2.947  -3.146   8.584
  314   1HD2  LEU  42          1HD2      LEU  42  -3.728  -1.027   6.531
  315   2HD2  LEU  42          2HD2      LEU  42  -5.347  -1.648   6.135
  316   3HD2  LEU  42          3HD2      LEU  42  -4.800  -1.598   7.820
  317    H    VAL  43           H        VAL  43  -2.936  -6.119   3.385
  318    HA   VAL  43           HA       VAL  43  -2.971  -5.185   0.733
  319    HB   VAL  43           HB       VAL  43  -1.431  -6.871   1.843
  320   1HG1  VAL  43          1HG1      VAL  43  -3.228  -8.407   2.659
  321   2HG1  VAL  43          2HG1      VAL  43  -3.498  -8.870   0.957
  322   3HG1  VAL  43          3HG1      VAL  43  -1.942  -9.204   1.725
  323   1HG2  VAL  43          1HG2      VAL  43  -2.582  -7.610  -0.896
  324   2HG2  VAL  43          2HG2      VAL  43  -1.432  -6.301  -0.583
  325   3HG2  VAL  43          3HG2      VAL  43  -0.960  -7.991  -0.288
  326    H    LYS  44           H        LYS  44  -5.292  -7.137   2.538
  327    HA   LYS  44           HA       LYS  44  -6.716  -8.083   0.256
  328   1HB   LYS  44          1HB       LYS  44  -7.861  -7.727   3.027
  329   2HB   LYS  44          2HB       LYS  44  -8.481  -8.775   1.761
  330   1HG   LYS  44          1HG       LYS  44  -5.755  -9.060   3.052
  331   2HG   LYS  44          2HG       LYS  44  -7.165  -9.914   3.610
  332   1HD   LYS  44          1HD       LYS  44  -7.044 -11.503   2.030
  333   2HD   LYS  44          2HD       LYS  44  -6.812 -10.343   0.732
  334   1HE   LYS  44          1HE       LYS  44  -4.615 -10.738   0.568
  335   2HE   LYS  44          2HE       LYS  44  -4.349 -10.509   2.302
  336   1HZ   LYS  44          1HZ       LYS  44  -4.883 -12.743   2.701
  337   2HZ   LYS  44          2HZ       LYS  44  -5.255 -13.027   1.114
  338   3HZ   LYS  44          3HZ       LYS  44  -3.715 -12.661   1.537
  339    H    SER  45           H        SER  45  -6.992  -5.129   2.252
  340    HA   SER  45           HA       SER  45  -9.350  -4.111   0.908
  341   1HB   SER  45          1HB       SER  45  -7.223  -2.632   2.483
  342   2HB   SER  45          2HB       SER  45  -8.836  -2.039   2.037
  343    HG   SER  45           HG       SER  45  -8.887  -2.876   4.156
  344    H    VAL  46           H        VAL  46  -5.792  -3.971   0.423
  345    HA   VAL  46           HA       VAL  46  -5.852  -1.947  -1.550
  346    HB   VAL  46           HB       VAL  46  -3.991  -4.126  -0.883
  347   1HG1  VAL  46          1HG1      VAL  46  -3.701  -4.054  -3.285
  348   2HG1  VAL  46          2HG1      VAL  46  -3.597  -2.272  -3.240
  349   3HG1  VAL  46          3HG1      VAL  46  -2.322  -3.269  -2.509
  350   1HG2  VAL  46          1HG2      VAL  46  -3.587  -1.165  -0.875
  351   2HG2  VAL  46          2HG2      VAL  46  -4.119  -2.149   0.519
  352   3HG2  VAL  46          3HG2      VAL  46  -2.519  -2.415  -0.192
  353    H    LYS  47           H        LYS  47  -5.952  -5.495  -1.980
  354    HA   LYS  47           HA       LYS  47  -6.481  -5.460  -4.774
  355   1HB   LYS  47          1HB       LYS  47  -6.614  -7.661  -4.658
  356   2HB   LYS  47          2HB       LYS  47  -5.879  -7.304  -3.096
  357   1HG   LYS  47          1HG       LYS  47  -8.557  -7.314  -2.416
  358   2HG   LYS  47          2HG       LYS  47  -8.613  -8.374  -3.806
  359   1HD   LYS  47          1HD       LYS  47  -6.385  -8.883  -1.859
  360   2HD   LYS  47          2HD       LYS  47  -7.996  -8.991  -1.157
  361   1HE   LYS  47          1HE       LYS  47  -7.330 -10.502  -3.709
  362   2HE   LYS  47          2HE       LYS  47  -6.940 -11.168  -2.120
  363   1HZ   LYS  47          1HZ       LYS  47  -9.247 -11.000  -1.503
  364   2HZ   LYS  47          2HZ       LYS  47  -9.649 -10.340  -2.947
  365   3HZ   LYS  47          3HZ       LYS  47  -9.116 -11.894  -2.875
  366    H    THR  48           H        THR  48  -8.712  -5.114  -2.062
  367    HA   THR  48           HA       THR  48 -11.096  -5.241  -3.661
  368    HB   THR  48           HB       THR  48 -10.495  -5.208  -0.926
  369    HG1  THR  48           HG1      THR  48 -12.755  -5.520  -0.779
  370   1HG2  THR  48          1HG2      THR  48 -10.800  -2.715  -0.796
  371   2HG2  THR  48          2HG2      THR  48 -12.438  -2.925  -1.450
  372   3HG2  THR  48          3HG2      THR  48 -11.999  -3.634   0.109
  373    H    GLY  49           H        GLY  49  -8.965  -2.535  -2.812
  374   1HA   GLY  49          1HA       GLY  49  -8.994  -0.348  -3.632
  375   2HA   GLY  49          2HA       GLY  49 -10.465  -0.676  -4.551
  376    H    LEU  50           H        LEU  50  -9.144   0.519  -1.599
  377    HA   LEU  50           HA       LEU  50 -11.514   0.712   0.010
  378   1HB   LEU  50          1HB       LEU  50  -9.131   0.893   0.660
  379   2HB   LEU  50          2HB       LEU  50  -9.054   2.523   0.010
  380    HG   LEU  50           HG       LEU  50 -11.212   2.012   2.027
  381   1HD1  LEU  50          1HD1      LEU  50  -9.391   0.642   2.951
  382   2HD1  LEU  50          2HD1      LEU  50  -8.255   1.996   2.763
  383   3HD1  LEU  50          3HD1      LEU  50  -9.606   2.114   3.911
  384   1HD2  LEU  50          1HD2      LEU  50  -9.027   4.128   1.685
  385   2HD2  LEU  50          2HD2      LEU  50 -10.695   4.327   1.158
  386   3HD2  LEU  50          3HD2      LEU  50 -10.330   4.204   2.889
  387    H    ASN  51           H        ASN  51 -12.495   2.873   0.563
  388    HA   ASN  51           HA       ASN  51 -14.099   3.707  -1.414
  389   1HB   ASN  51          1HB       ASN  51 -13.240   5.742   0.706
  390   2HB   ASN  51          2HB       ASN  51 -14.805   5.576  -0.067
  391   1HD2  ASN  51          1HD2      ASN  51 -12.533   4.386   2.312
  392   2HD2  ASN  51          2HD2      ASN  51 -13.434   2.979   2.814
  393    H    ALA  52           H        ALA  52 -11.443   5.746  -0.348
  394    HA   ALA  52           HA       ALA  52 -11.304   7.231  -2.912
  395   1HB   ALA  52          1HB       ALA  52 -11.352   8.487  -0.835
  396   2HB   ALA  52          2HB       ALA  52  -9.945   7.605  -0.222
  397   3HB   ALA  52          3HB       ALA  52  -9.780   8.702  -1.621
  398    H    MET  53           H        MET  53 -10.288   4.272  -2.382
  399    HA   MET  53           HA       MET  53  -7.708   4.779  -3.816
  400   1HB   MET  53          1HB       MET  53  -7.416   3.901  -1.493
  401   2HB   MET  53          2HB       MET  53  -8.258   2.420  -2.017
  402   1HG   MET  53          1HG       MET  53  -6.581   1.982  -3.696
  403   2HG   MET  53          2HG       MET  53  -5.824   3.532  -3.398
  404   1HE   MET  53          1HE       MET  53  -6.926   1.086  -0.422
  405   2HE   MET  53          2HE       MET  53  -6.580   0.026  -1.807
  406   3HE   MET  53          3HE       MET  53  -5.503  -0.004  -0.400
  407    HA   PRO  54           HA       PRO  54  -9.672   2.389  -7.094
  408   1HB   PRO  54          1HB       PRO  54  -7.489   1.957  -8.746
  409   2HB   PRO  54          2HB       PRO  54  -8.343   3.525  -8.619
  410   1HG   PRO  54          1HG       PRO  54  -5.881   2.629  -7.099
  411   2HG   PRO  54          2HG       PRO  54  -6.073   4.127  -8.066
  412   1HD   PRO  54          1HD       PRO  54  -6.384   4.159  -5.427
  413   2HD   PRO  54          2HD       PRO  54  -7.581   5.040  -6.425
  414    HA   PRO  55           HA       PRO  55  -8.993  -1.800  -5.918
  415   1HB   PRO  55          1HB       PRO  55  -9.347  -3.269  -8.203
  416   2HB   PRO  55          2HB       PRO  55 -10.675  -2.431  -7.350
  417   1HG   PRO  55          1HG       PRO  55  -9.075  -1.409  -9.716
  418   2HG   PRO  55          2HG       PRO  55 -10.857  -1.475  -9.553
  419   1HD   PRO  55          1HD       PRO  55  -9.514   0.799  -9.031
  420   2HD   PRO  55          2HD       PRO  55 -10.848   0.304  -7.949
  421    H    GLY  56           H        GLY  56  -7.425  -3.360  -5.729
  422   1HA   GLY  56          1HA       GLY  56  -5.218  -4.074  -5.665
  423   2HA   GLY  56          2HA       GLY  56  -5.229  -3.811  -7.414
  424    H    GLY  57           H        GLY  57  -5.774  -1.305  -5.008
  425   1HA   GLY  57          1HA       GLY  57  -4.854   0.780  -4.826
  426   2HA   GLY  57          2HA       GLY  57  -3.352  -0.084  -4.539
  427    H    MET  58           H        MET  58  -5.120  -0.108  -7.628
  428    HA   MET  58           HA       MET  58  -4.817   0.781  -9.627
  429   1HB   MET  58          1HB       MET  58  -4.023   2.956  -8.407
  430   2HB   MET  58          2HB       MET  58  -2.406   2.432  -8.867
  431   1HG   MET  58          1HG       MET  58  -3.873   2.107 -11.230
  432   2HG   MET  58          2HG       MET  58  -4.577   3.554 -10.544
  433   1HE   MET  58          1HE       MET  58  -3.530   5.851 -10.825
  434   2HE   MET  58          2HE       MET  58  -2.459   5.395  -9.466
  435   3HE   MET  58          3HE       MET  58  -1.778   6.127 -10.945
  436    H    CYS  59           H        CYS  59  -3.373  -1.658  -8.613
  437    HA   CYS  59           HA       CYS  59  -1.312  -1.865 -10.782
  438   1HB   CYS  59          1HB       CYS  59  -0.808  -2.485  -8.362
  439   2HB   CYS  59          2HB       CYS  59  -1.898  -3.857  -8.596
  440    H    THR  60           H        THR  60  -1.281  -3.918 -12.003
  441    HA   THR  60           HA       THR  60  -4.007  -4.894 -12.740
  442    HB   THR  60           HB       THR  60  -1.406  -5.092 -14.309
  443    HG1  THR  60           HG1      THR  60  -3.393  -3.564 -15.310
  444   1HG2  THR  60          1HG2      THR  60  -3.054  -6.871 -14.917
  445   2HG2  THR  60          2HG2      THR  60  -4.305  -5.628 -15.110
  446   3HG2  THR  60          3HG2      THR  60  -2.899  -5.659 -16.195
  447    H    ASP  61           H        ASP  61  -0.955  -6.706 -13.284
  448    HA   ASP  61           HA       ASP  61  -2.194  -9.019 -11.997
  449   1HB   ASP  61          1HB       ASP  61  -1.158  -8.722 -14.415
  450   2HB   ASP  61          2HB       ASP  61   0.379  -9.018 -13.587
  451    H    CYS  62           H        CYS  62  -1.516  -7.236 -10.044
  452    HA   CYS  62           HA       CYS  62   1.172  -7.843  -8.946
  453   1HB   CYS  62          1HB       CYS  62  -1.181  -6.226  -8.012
  454   2HB   CYS  62          2HB       CYS  62   0.025  -6.823  -6.858
  455    H    THR  63           H        THR  63   1.567  -9.840  -8.112
  456    HA   THR  63           HA       THR  63  -0.556 -11.550  -7.034
  457    HB   THR  63           HB       THR  63   2.475 -11.805  -7.193
  458    HG1  THR  63           HG1      THR  63   2.045 -12.918  -9.028
  459   1HG2  THR  63          1HG2      THR  63   1.639 -13.370  -5.487
  460   2HG2  THR  63          2HG2      THR  63   0.363 -13.922  -6.602
  461   3HG2  THR  63          3HG2      THR  63   2.072 -14.242  -6.958
  462    H    ASP  64           H        ASP  64  -0.748 -12.127  -4.733
  463    HA   ASP  64           HA       ASP  64  -0.369 -10.428  -2.655
  464   1HB   ASP  64          1HB       ASP  64  -0.620 -13.249  -2.981
  465   2HB   ASP  64          2HB       ASP  64   0.433 -12.965  -1.620
  466    H    GLU  65           H        GLU  65   2.221 -12.733  -3.654
  467    HA   GLU  65           HA       GLU  65   4.145 -12.043  -1.803
  468   1HB   GLU  65          1HB       GLU  65   4.631 -12.756  -4.737
  469   2HB   GLU  65          2HB       GLU  65   5.782 -12.872  -3.401
  470   1HG   GLU  65          1HG       GLU  65   3.917 -14.383  -2.269
  471   2HG   GLU  65          2HG       GLU  65   3.328 -14.571  -3.931
  472    H    ASP  66           H        ASP  66   3.858 -10.500  -5.092
  473    HA   ASP  66           HA       ASP  66   5.825  -8.547  -4.475
  474   1HB   ASP  66          1HB       ASP  66   3.747  -8.522  -6.689
  475   2HB   ASP  66          2HB       ASP  66   5.340  -7.733  -6.653
  476    H    TYR  67           H        TYR  67   2.256  -8.553  -4.196
  477    HA   TYR  67           HA       TYR  67   1.925  -5.728  -3.649
  478   1HB   TYR  67          1HB       TYR  67   0.418  -8.264  -2.969
  479   2HB   TYR  67          2HB       TYR  67   0.058  -6.806  -2.073
  480    HD1  TYR  67           HD1      TYR  67  -0.101  -4.595  -3.751
  481    HD2  TYR  67           HD2      TYR  67  -1.441  -8.645  -4.351
  482    HE1  TYR  67           HE1      TYR  67  -1.737  -3.810  -5.457
  483    HE2  TYR  67           HE2      TYR  67  -3.163  -7.837  -5.930
  484    HH   TYR  67           HH       TYR  67  -3.764  -6.123  -7.265
  485    H    LYS  68           H        LYS  68   2.608  -8.495  -1.572
  486    HA   LYS  68           HA       LYS  68   2.532  -7.099   0.953
  487   1HB   LYS  68          1HB       LYS  68   3.569  -9.801   0.042
  488   2HB   LYS  68          2HB       LYS  68   3.714  -9.245   1.718
  489   1HG   LYS  68          1HG       LYS  68   1.419  -9.125   2.071
  490   2HG   LYS  68          2HG       LYS  68   1.014  -9.118   0.345
  491   1HD   LYS  68          1HD       LYS  68   1.193 -11.371   0.089
  492   2HD   LYS  68          2HD       LYS  68   2.503 -11.538   1.277
  493   1HE   LYS  68          1HE       LYS  68   1.011 -11.326   3.115
  494   2HE   LYS  68          2HE       LYS  68  -0.352 -10.848   2.084
  495   1HZ   LYS  68          1HZ       LYS  68  -0.518 -12.947   1.195
  496   2HZ   LYS  68          2HZ       LYS  68   0.923 -13.480   1.832
  497   3HZ   LYS  68          3HZ       LYS  68  -0.325 -13.148   2.856
  498    H    ALA  69           H        ALA  69   5.215  -8.351  -1.105
  499    HA   ALA  69           HA       ALA  69   7.396  -7.171   0.184
  500   1HB   ALA  69          1HB       ALA  69   7.569  -8.708  -1.679
  501   2HB   ALA  69          2HB       ALA  69   6.896  -7.485  -2.775
  502   3HB   ALA  69          3HB       ALA  69   8.476  -7.217  -1.996
  503    H    ALA  70           H        ALA  70   5.014  -5.608  -2.021
  504    HA   ALA  70           HA       ALA  70   6.392  -3.044  -2.062
  505   1HB   ALA  70          1HB       ALA  70   4.904  -3.750  -3.868
  506   2HB   ALA  70          2HB       ALA  70   3.508  -3.679  -2.778
  507   3HB   ALA  70          3HB       ALA  70   4.403  -2.206  -3.159
  508    H    ILE  71           H        ILE  71   3.602  -4.255  -0.200
  509    HA   ILE  71           HA       ILE  71   3.128  -1.917   1.398
  510    HB   ILE  71           HB       ILE  71   2.430  -4.805   1.387
  511   1HG1  ILE  71          1HG1      ILE  71   0.382  -2.877   2.178
  512   2HG1  ILE  71          2HG1      ILE  71   1.126  -2.558   0.596
  513   1HG2  ILE  71          1HG2      ILE  71   3.060  -4.792   3.689
  514   2HG2  ILE  71          2HG2      ILE  71   2.223  -3.248   3.956
  515   3HG2  ILE  71          3HG2      ILE  71   1.303  -4.725   3.586
  516   1HD1  ILE  71          1HD1      ILE  71   0.535  -4.790  -0.153
  517   2HD1  ILE  71          2HD1      ILE  71  -0.019  -5.215   1.484
  518   3HD1  ILE  71          3HD1      ILE  71  -0.894  -3.999   0.527
  519    H    GLU  72           H        GLU  72   5.252  -4.745   2.029
  520    HA   GLU  72           HA       GLU  72   6.211  -3.581   4.495
  521   1HB   GLU  72          1HB       GLU  72   7.548  -5.543   4.757
  522   2HB   GLU  72          2HB       GLU  72   5.899  -5.973   4.269
  523   1HG   GLU  72          1HG       GLU  72   6.778  -7.237   2.635
  524   2HG   GLU  72          2HG       GLU  72   7.300  -5.739   1.852
  525    H    PHE  73           H        PHE  73   7.358  -3.439   1.137
  526    HA   PHE  73           HA       PHE  73   9.930  -2.498   1.483
  527   1HB   PHE  73          1HB       PHE  73   8.608  -2.629  -0.680
  528   2HB   PHE  73          2HB       PHE  73   7.844  -1.108  -0.254
  529    HD1  PHE  73           HD1      PHE  73   9.366   0.973   0.054
  530    HD2  PHE  73           HD2      PHE  73  10.718  -2.730  -1.701
  531    HE1  PHE  73           HE1      PHE  73  11.339   2.137  -0.892
  532    HE2  PHE  73           HE2      PHE  73  12.684  -1.553  -2.651
  533    HZ   PHE  73           HZ       PHE  73  12.959   0.892  -2.303
  534    H    MET  74           H        MET  74   6.933  -0.569   1.876
  535    HA   MET  74           HA       MET  74   8.334   1.787   2.763
  536   1HB   MET  74          1HB       MET  74   5.443   0.912   2.811
  537   2HB   MET  74          2HB       MET  74   6.008   2.439   3.522
  538   1HG   MET  74          1HG       MET  74   5.412   3.244   1.490
  539   2HG   MET  74          2HG       MET  74   7.074   2.794   1.128
  540   1HE   MET  74          1HE       MET  74   3.524   0.778   1.223
  541   2HE   MET  74          2HE       MET  74   3.293   2.318   0.368
  542   3HE   MET  74          3HE       MET  74   3.247   0.781  -0.515
  543    H    SER  75           H        SER  75   6.625  -0.829   4.527
  544    HA   SER  75           HA       SER  75   8.413  -0.369   6.738
  545   1HB   SER  75          1HB       SER  75   6.374   1.326   7.006
  546   2HB   SER  75          2HB       SER  75   5.603  -0.072   7.757
  547    HG   SER  75           HG       SER  75   7.390   1.540   8.814
  548    H    LYS  76           H        LYS  76   5.136  -1.814   6.767
  549    HA   LYS  76           HA       LYS  76   5.328  -4.413   6.312
  550   1HB   LYS  76          1HB       LYS  76   5.791  -5.447   8.482
  551   2HB   LYS  76          2HB       LYS  76   7.185  -4.943   7.581
  552   1HG   LYS  76          1HG       LYS  76   6.455  -2.775   9.344
  553   2HG   LYS  76          2HG       LYS  76   6.300  -4.236  10.285
  554   1HD   LYS  76          1HD       LYS  76   8.537  -4.557  10.472
  555   2HD   LYS  76          2HD       LYS  76   8.819  -4.276   8.774
  556   1HE   LYS  76          1HE       LYS  76   9.789  -2.345   9.202
  557   2HE   LYS  76          2HE       LYS  76   8.250  -1.672   9.698
  558   1HZ   LYS  76          1HZ       LYS  76   8.725  -2.476  11.947
  559   2HZ   LYS  76          2HZ       LYS  76  10.203  -3.006  11.449
  560   3HZ   LYS  76          3HZ       LYS  76   9.848  -1.401  11.408
  561    H    ALA  77           H        ALA  77   3.274  -2.879   6.076
  562    HA   ALA  77           HA       ALA  77   1.243  -4.305   7.377
  563   1HB   ALA  77          1HB       ALA  77   1.584  -3.169   9.405
  564   2HB   ALA  77          2HB       ALA  77   1.710  -1.590   8.596
  565   3HB   ALA  77          3HB       ALA  77   0.160  -2.478   8.673
  566    H    LYS  78           H        LYS  78   1.216  -0.845   6.584
  567    HA   LYS  78           HA       LYS  78  -1.066  -1.341   4.798
  568   1HB   LYS  78          1HB       LYS  78  -1.652   0.955   5.117
  569   2HB   LYS  78          2HB       LYS  78  -1.413   0.181   6.678
  570   1HG   LYS  78          1HG       LYS  78   0.525   1.473   7.121
  571   2HG   LYS  78          2HG       LYS  78   0.908   1.659   5.409
  572   1HD   LYS  78          1HD       LYS  78  -1.083   3.164   5.121
  573   2HD   LYS  78          2HD       LYS  78  -1.336   3.075   6.871
  574   1HE   LYS  78          1HE       LYS  78  -0.027   4.929   6.776
  575   2HE   LYS  78          2HE       LYS  78   1.206   3.739   7.034
  576   1HZ   LYS  78          1HZ       LYS  78   1.600   3.690   4.628
  577   2HZ   LYS  78          2HZ       LYS  78   0.423   4.802   4.388
  578   3HZ   LYS  78          3HZ       LYS  78   1.802   5.247   5.139
  579    HHA  HEC  90           HHA      HEC  90  -6.034   3.872   3.266
  580    HHB  HEC  90           HHB      HEC  90  -1.399  -0.068   1.041
  581    HHC  HEC  90           HHC      HEC  90  -1.837   2.865  -4.706
  582    HHD  HEC  90           HHD      HEC  90  -5.622   7.395  -2.061
  583   1HMA  HEC  90          1HMA      HEC  90  -3.730  -1.261   2.828
  584   2HMA  HEC  90          2HMA      HEC  90  -2.043  -0.737   2.944
  585   3HMA  HEC  90          3HMA      HEC  90  -3.141  -0.454   4.309
  586   1HAA  HEC  90          1HAA      HEC  90  -5.115   0.524   4.794
  587   2HAA  HEC  90          2HAA      HEC  90  -6.206   1.807   4.323
  588   1HBA  HEC  90          1HBA      HEC  90  -4.618   3.510   5.236
  589   2HBA  HEC  90          2HBA      HEC  90  -3.529   2.204   5.721
  590   1HMB  HEC  90          1HMB      HEC  90  -0.439  -1.601  -1.196
  591   2HMB  HEC  90          2HMB      HEC  90   0.973  -0.706  -1.795
  592   3HMB  HEC  90          3HMB      HEC  90   0.451  -0.470  -0.147
  593    HAB  HEC  90           HAB      HEC  90  -0.489   1.267  -4.913
  594   1HBB  HEC  90          1HBB      HEC  90  -1.302  -1.078  -4.656
  595   2HBB  HEC  90          2HBB      HEC  90   0.294  -0.930  -5.405
  596   3HBB  HEC  90          3HBB      HEC  90   0.155  -1.451  -3.724
  597   1HMC  HEC  90          1HMC      HEC  90  -3.840   5.041  -6.714
  598   2HMC  HEC  90          2HMC      HEC  90  -2.349   5.921  -6.287
  599   3HMC  HEC  90          3HMC      HEC  90  -2.410   4.160  -6.274
  600    HAC  HEC  90           HAC      HEC  90  -5.812   7.498  -4.194
  601   1HBC  HEC  90          1HBC      HEC  90  -5.680   6.324  -6.382
  602   2HBC  HEC  90          2HBC      HEC  90  -5.778   8.097  -6.428
  603   3HBC  HEC  90          3HBC      HEC  90  -4.222   7.312  -6.717
  604   1HMD  HEC  90          1HMD      HEC  90  -7.747   7.986  -0.532
  605   2HMD  HEC  90          2HMD      HEC  90  -7.381   8.522   1.124
  606   3HMD  HEC  90          3HMD      HEC  90  -6.240   8.818  -0.178
  607   1HAD  HEC  90          1HAD      HEC  90  -7.830   5.333   3.116
  608   2HAD  HEC  90          2HAD      HEC  90  -8.228   6.874   2.389
  609   1HBD  HEC  90          1HBD      HEC  90  -6.286   7.891   3.644
  610   2HBD  HEC  90          2HBD      HEC  90  -6.029   6.305   4.413
  Start of MODEL    7
    1   1H    ALA  -3          1H        ALA  -3   3.041  -0.094 -13.916
    2   2H    ALA  -3          2H        ALA  -3   2.587   1.141 -14.916
    3   3H    ALA  -3          3H        ALA  -3   1.753  -0.274 -14.919
    4    HA   ALA  -3           HA       ALA  -3   3.101  -0.121 -16.854
    5   1HB   ALA  -3          1HB       ALA  -3   4.847   1.332 -15.983
    6   2HB   ALA  -3          2HB       ALA  -3   5.452   0.042 -14.921
    7   3HB   ALA  -3          3HB       ALA  -3   5.542  -0.136 -16.686
    8    H    ASP  -2           H        ASP  -2   4.875  -1.927 -14.259
    9    HA   ASP  -2           HA       ASP  -2   3.607  -4.469 -14.982
   10   1HB   ASP  -2          1HB       ASP  -2   6.345  -3.533 -15.891
   11   2HB   ASP  -2          2HB       ASP  -2   6.179  -5.202 -15.338
   12    H    LEU  -1           H        LEU  -1   3.465  -5.652 -13.208
   13    HA   LEU  -1           HA       LEU  -1   4.844  -4.917 -10.738
   14   1HB   LEU  -1          1HB       LEU  -1   3.469  -6.431  -9.627
   15   2HB   LEU  -1          2HB       LEU  -1   2.507  -5.501 -10.755
   16    HG   LEU  -1           HG       LEU  -1   1.508  -7.395 -11.096
   17   1HD1  LEU  -1          1HD1      LEU  -1   2.293  -7.180 -13.310
   18   2HD1  LEU  -1          2HD1      LEU  -1   3.822  -8.019 -12.947
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.290  -8.889 -12.896
   20   1HD2  LEU  -1          1HD2      LEU  -1   3.853  -9.212 -10.432
   21   2HD2  LEU  -1          2HD2      LEU  -1   2.722  -8.539  -9.259
   22   3HD2  LEU  -1          3HD2      LEU  -1   2.156  -9.612 -10.544
   23    H    GLN   1           H        GLN   1   6.886  -5.177 -11.962
   24    HA   GLN   1           HA       GLN   1   7.881  -7.986 -11.737
   25   1HB   GLN   1          1HB       GLN   1   8.135  -5.976 -13.762
   26   2HB   GLN   1          2HB       GLN   1   9.732  -6.097 -13.029
   27   1HG   GLN   1          1HG       GLN   1   8.091  -8.421 -14.149
   28   2HG   GLN   1          2HG       GLN   1   9.420  -7.600 -14.973
   29   1HE2  GLN   1          1HE2      GLN   1   8.610  -9.967 -12.475
   30   2HE2  GLN   1          2HE2      GLN   1  10.280 -10.427 -12.184
   31    H    ASP   2           H        ASP   2   8.209  -4.896 -10.298
   32    HA   ASP   2           HA       ASP   2   9.946  -6.040  -8.244
   33   1HB   ASP   2          1HB       ASP   2  11.553  -4.937  -9.758
   34   2HB   ASP   2          2HB       ASP   2  10.610  -3.443  -9.712
   35    H    ALA   3           H        ALA   3   8.895  -5.624  -6.403
   36    HA   ALA   3           HA       ALA   3   6.581  -4.073  -6.052
   37   1HB   ALA   3          1HB       ALA   3   7.190  -5.724  -4.553
   38   2HB   ALA   3          2HB       ALA   3   8.759  -4.959  -4.144
   39   3HB   ALA   3          3HB       ALA   3   7.236  -4.184  -3.661
   40    H    GLU   4           H        GLU   4  10.030  -3.029  -5.840
   41    HA   GLU   4           HA       GLU   4   9.484  -0.457  -4.677
   42   1HB   GLU   4          1HB       GLU   4  11.717  -1.170  -4.672
   43   2HB   GLU   4          2HB       GLU   4  11.757  -1.461  -6.416
   44   1HG   GLU   4          1HG       GLU   4  11.671   0.888  -6.915
   45   2HG   GLU   4          2HG       GLU   4  11.198   1.307  -5.257
   46    H    ALA   5           H        ALA   5   9.562  -1.688  -7.998
   47    HA   ALA   5           HA       ALA   5   9.003   0.899  -9.231
   48   1HB   ALA   5          1HB       ALA   5  10.252  -0.869 -10.408
   49   2HB   ALA   5          2HB       ALA   5   8.794  -1.892 -10.415
   50   3HB   ALA   5          3HB       ALA   5   8.801  -0.350 -11.294
   51    H    ILE   6           H        ILE   6   7.055  -1.907  -8.141
   52    HA   ILE   6           HA       ILE   6   4.650  -1.016  -9.376
   53    HB   ILE   6           HB       ILE   6   5.470  -3.225  -7.885
   54   1HG1  ILE   6          1HG1      ILE   6   3.935  -3.093  -9.857
   55   2HG1  ILE   6          2HG1      ILE   6   3.482  -4.259  -8.603
   56   1HG2  ILE   6          1HG2      ILE   6   4.819  -2.325  -5.749
   57   2HG2  ILE   6          2HG2      ILE   6   3.185  -1.961  -6.315
   58   3HG2  ILE   6          3HG2      ILE   6   3.742  -3.642  -6.208
   59   1HD1  ILE   6          1HD1      ILE   6   1.705  -2.849  -7.806
   60   2HD1  ILE   6          2HD1      ILE   6   2.281  -1.470  -8.780
   61   3HD1  ILE   6          3HD1      ILE   6   1.595  -2.906  -9.570
   62    H    TYR   7           H        TYR   7   5.909  -0.494  -5.990
   63    HA   TYR   7           HA       TYR   7   3.649   1.206  -5.503
   64   1HB   TYR   7          1HB       TYR   7   4.291   1.434  -3.355
   65   2HB   TYR   7          2HB       TYR   7   5.197  -0.009  -3.761
   66    HD1  TYR   7           HD1      TYR   7   5.372   3.703  -3.312
   67    HD2  TYR   7           HD2      TYR   7   7.577   0.012  -3.523
   68    HE1  TYR   7           HE1      TYR   7   7.501   4.952  -2.995
   69    HE2  TYR   7           HE2      TYR   7   9.699   1.277  -3.272
   70    HH   TYR   7           HH       TYR   7  10.651   3.278  -3.119
   71    H    ASN   8           H        ASN   8   6.975   1.925  -6.492
   72    HA   ASN   8           HA       ASN   8   6.740   4.743  -6.415
   73   1HB   ASN   8          1HB       ASN   8   8.804   3.348  -6.347
   74   2HB   ASN   8          2HB       ASN   8   8.556   2.953  -8.062
   75   1HD2  ASN   8          1HD2      ASN   8  10.665   3.794  -8.474
   76   2HD2  ASN   8          2HD2      ASN   8  10.896   5.536  -8.525
   77    H    LYS   9           H        LYS   9   5.727   2.435  -8.889
   78    HA   LYS   9           HA       LYS   9   4.958   4.639 -10.706
   79   1HB   LYS   9          1HB       LYS   9   5.951   2.316 -11.360
   80   2HB   LYS   9          2HB       LYS   9   4.309   1.731 -11.115
   81   1HG   LYS   9          1HG       LYS   9   4.441   2.219 -13.422
   82   2HG   LYS   9          2HG       LYS   9   3.606   3.622 -12.750
   83   1HD   LYS   9          1HD       LYS   9   5.210   4.481 -14.276
   84   2HD   LYS   9          2HD       LYS   9   5.898   4.794 -12.682
   85   1HE   LYS   9          1HE       LYS   9   7.338   2.718 -12.944
   86   2HE   LYS   9          2HE       LYS   9   6.643   2.482 -14.551
   87   1HZ   LYS   9          1HZ       LYS   9   7.577   4.636 -15.163
   88   2HZ   LYS   9          2HZ       LYS   9   8.227   4.808 -13.662
   89   3HZ   LYS   9          3HZ       LYS   9   8.750   3.606 -14.648
   90    H    ALA  10           H        ALA  10   3.443   2.642  -8.263
   91    HA   ALA  10           HA       ALA  10   0.691   3.345  -9.223
   92   1HB   ALA  10          1HB       ALA  10   1.173   0.938  -9.080
   93   2HB   ALA  10          2HB       ALA  10   1.584   1.108  -7.355
   94   3HB   ALA  10          3HB       ALA  10  -0.032   1.440  -7.872
   95    H    CYS  11           H        CYS  11   2.200   2.662  -6.031
   96    HA   CYS  11           HA       CYS  11   0.282   4.375  -4.646
   97   1HB   CYS  11          1HB       CYS  11   2.613   3.253  -3.217
   98   2HB   CYS  11          2HB       CYS  11   0.920   3.303  -2.751
   99    H    THR  12           H        THR  12   1.591   5.855  -6.484
  100    HA   THR  12           HA       THR  12   3.670   7.471  -5.077
  101    HB   THR  12           HB       THR  12   4.471   5.846  -6.870
  102    HG1  THR  12           HG1      THR  12   4.807   8.586  -7.369
  103   1HG2  THR  12          1HG2      THR  12   2.565   6.157  -8.473
  104   2HG2  THR  12          2HG2      THR  12   3.058   7.842  -8.735
  105   3HG2  THR  12          3HG2      THR  12   4.116   6.541  -9.231
  106    H    VAL  13           H        VAL  13   0.650   7.600  -6.273
  107    HA   VAL  13           HA       VAL  13   0.849  10.331  -7.421
  108    HB   VAL  13           HB       VAL  13  -1.446   8.326  -7.435
  109   1HG1  VAL  13          1HG1      VAL  13  -2.035  10.680  -7.892
  110   2HG1  VAL  13          2HG1      VAL  13  -0.746  10.752  -9.120
  111   3HG1  VAL  13          3HG1      VAL  13  -2.167   9.702  -9.371
  112   1HG2  VAL  13          1HG2      VAL  13   0.752   8.720  -9.508
  113   2HG2  VAL  13          2HG2      VAL  13   0.404   7.235  -8.595
  114   3HG2  VAL  13          3HG2      VAL  13  -0.754   7.822  -9.781
  115    H    CYS  14           H        CYS  14  -0.600   8.390  -4.899
  116    HA   CYS  14           HA       CYS  14  -1.774  10.703  -3.453
  117   1HB   CYS  14          1HB       CYS  14  -2.081   7.712  -3.535
  118   2HB   CYS  14          2HB       CYS  14  -2.627   8.619  -2.127
  119    H    HIS  15           H        HIS  15   0.028   7.732  -2.675
  120    HA   HIS  15           HA       HIS  15   0.478   8.547   0.003
  121   1HB   HIS  15          1HB       HIS  15   1.526   6.285  -1.728
  122   2HB   HIS  15          2HB       HIS  15   1.967   6.454  -0.035
  123    HD1  HIS  15           HD1      HIS  15   0.090   6.153   1.760
  124    HD2  HIS  15           HD2      HIS  15  -0.994   5.405  -2.225
  125    HE1  HIS  15           HE1      HIS  15  -1.988   4.594   1.821
  126    H    SER  16           H        SER  16   2.461   9.020  -2.781
  127    HA   SER  16           HA       SER  16   5.058   9.233  -1.613
  128   1HB   SER  16          1HB       SER  16   4.810   9.043  -3.990
  129   2HB   SER  16          2HB       SER  16   3.830  10.525  -4.084
  130    HG   SER  16           HG       SER  16   6.037  10.882  -4.638
  131    H    MET  17           H        MET  17   2.603  11.747  -2.291
  132    HA   MET  17           HA       MET  17   4.113  13.674  -0.575
  133   1HB   MET  17          1HB       MET  17   3.338  13.996  -3.131
  134   2HB   MET  17          2HB       MET  17   1.850  14.493  -2.335
  135   1HG   MET  17          1HG       MET  17   2.929  16.493  -2.496
  136   2HG   MET  17          2HG       MET  17   3.493  16.015  -0.892
  137   1HE   MET  17          1HE       MET  17   4.679  18.276  -2.836
  138   2HE   MET  17          2HE       MET  17   5.370  17.954  -1.222
  139   3HE   MET  17          3HE       MET  17   6.431  18.023  -2.652
  140    H    GLY  18           H        GLY  18   1.221  11.717  -0.642
  141   1HA   GLY  18          1HA       GLY  18  -0.283  11.386   1.083
  142   2HA   GLY  18          2HA       GLY  18   0.278  12.828   1.933
  143    H    VAL  19           H        VAL  19  -1.074  12.153  -1.319
  144    HA   VAL  19           HA       VAL  19  -2.919  14.480  -1.110
  145    HB   VAL  19           HB       VAL  19  -2.055  12.867  -3.545
  146   1HG1  VAL  19          1HG1      VAL  19  -4.217  13.842  -4.031
  147   2HG1  VAL  19          2HG1      VAL  19  -3.728  15.399  -3.306
  148   3HG1  VAL  19          3HG1      VAL  19  -2.986  14.824  -4.809
  149   1HG2  VAL  19          1HG2      VAL  19  -1.191  15.606  -2.538
  150   2HG2  VAL  19          2HG2      VAL  19  -0.209  14.128  -2.629
  151   3HG2  VAL  19          3HG2      VAL  19  -0.757  14.902  -4.114
  152    H    ALA  20           H        ALA  20  -5.090  14.141  -2.035
  153    HA   ALA  20           HA       ALA  20  -7.166  13.244  -1.788
  154   1HB   ALA  20          1HB       ALA  20  -6.305  11.684  -3.516
  155   2HB   ALA  20          2HB       ALA  20  -5.850  10.553  -2.224
  156   3HB   ALA  20          3HB       ALA  20  -7.552  10.967  -2.476
  157    H    GLY  21           H        GLY  21  -5.235  13.380   0.579
  158   1HA   GLY  21          1HA       GLY  21  -5.493  13.130   2.869
  159   2HA   GLY  21          2HA       GLY  21  -6.956  12.167   2.623
  160    H    ALA  22           H        ALA  22  -4.116  11.159   0.790
  161    HA   ALA  22           HA       ALA  22  -4.146   8.651   2.101
  162   1HB   ALA  22          1HB       ALA  22  -3.645   8.932  -0.245
  163   2HB   ALA  22          2HB       ALA  22  -2.145   9.811   0.135
  164   3HB   ALA  22          3HB       ALA  22  -2.297   8.093   0.544
  165    HA   PRO  23           HA       PRO  23  -1.123   9.218   5.382
  166   1HB   PRO  23          1HB       PRO  23  -0.433   6.674   5.871
  167   2HB   PRO  23          2HB       PRO  23  -2.123   7.258   6.081
  168   1HG   PRO  23          1HG       PRO  23  -0.998   5.793   3.728
  169   2HG   PRO  23          2HG       PRO  23  -2.495   5.442   4.707
  170   1HD   PRO  23          1HD       PRO  23  -2.629   6.855   2.373
  171   2HD   PRO  23          2HD       PRO  23  -3.660   7.220   3.777
  172    H    LYS  24           H        LYS  24   1.160   9.082   5.798
  173    HA   LYS  24           HA       LYS  24   2.634   9.670   3.364
  174   1HB   LYS  24          1HB       LYS  24   3.396   9.511   6.295
  175   2HB   LYS  24          2HB       LYS  24   4.584   9.845   5.044
  176   1HG   LYS  24          1HG       LYS  24   4.029  11.979   4.906
  177   2HG   LYS  24          2HG       LYS  24   2.333  11.605   4.584
  178   1HD   LYS  24          1HD       LYS  24   1.809  11.506   6.925
  179   2HD   LYS  24          2HD       LYS  24   3.528  11.620   7.389
  180   1HE   LYS  24          1HE       LYS  24   3.655  13.890   6.397
  181   2HE   LYS  24          2HE       LYS  24   1.957  13.786   5.899
  182   1HZ   LYS  24          1HZ       LYS  24   1.341  13.661   8.215
  183   2HZ   LYS  24          2HZ       LYS  24   2.916  13.707   8.693
  184   3HZ   LYS  24          3HZ       LYS  24   2.237  15.011   7.957
  185    H    SER  25           H        SER  25   4.151   8.558   2.265
  186    HA   SER  25           HA       SER  25   4.596   5.954   1.969
  187   1HB   SER  25          1HB       SER  25   6.603   8.230   2.015
  188   2HB   SER  25          2HB       SER  25   7.093   6.574   1.605
  189    HG   SER  25           HG       SER  25   6.478   7.652  -0.281
  190    H    HIS  26           H        HIS  26   6.057   7.741   4.719
  191    HA   HIS  26           HA       HIS  26   6.244   5.193   6.165
  192   1HB   HIS  26          1HB       HIS  26   8.570   5.617   6.889
  193   2HB   HIS  26          2HB       HIS  26   8.400   5.194   5.187
  194    HD1  HIS  26           HD1      HIS  26   8.862   8.399   7.284
  195    HD2  HIS  26           HD2      HIS  26   9.316   6.913   3.391
  196    HE1  HIS  26           HE1      HIS  26  10.083  10.214   5.957
  197    H    ASN  27           H        ASN  27   5.055   5.578   7.845
  198    HA   ASN  27           HA       ASN  27   5.461   7.985   9.540
  199   1HB   ASN  27          1HB       ASN  27   2.996   7.165   8.081
  200   2HB   ASN  27          2HB       ASN  27   2.777   7.142   9.844
  201   1HD2  ASN  27          1HD2      ASN  27   1.115   8.823   8.295
  202   2HD2  ASN  27          2HD2      ASN  27   1.639  10.415   8.769
  203    H    THR  28           H        THR  28   4.939   7.414  11.842
  204    HA   THR  28           HA       THR  28   4.961   4.418  12.298
  205    HB   THR  28           HB       THR  28   5.697   6.668  14.191
  206    HG1  THR  28           HG1      THR  28   7.717   5.210  13.786
  207   1HG2  THR  28          1HG2      THR  28   4.849   4.705  15.420
  208   2HG2  THR  28          2HG2      THR  28   5.870   3.624  14.451
  209   3HG2  THR  28          3HG2      THR  28   6.601   4.795  15.571
  210    H    ALA  29           H        ALA  29   3.217   7.443  13.243
  211    HA   ALA  29           HA       ALA  29   1.291   6.020  14.826
  212   1HB   ALA  29          1HB       ALA  29   1.813   8.369  15.122
  213   2HB   ALA  29          2HB       ALA  29   1.139   8.740  13.510
  214   3HB   ALA  29          3HB       ALA  29   0.080   8.121  14.804
  215    H    ASP  30           H        ASP  30   1.498   6.684  11.393
  216    HA   ASP  30           HA       ASP  30  -1.294   6.055  10.814
  217   1HB   ASP  30          1HB       ASP  30   0.474   7.829   9.913
  218   2HB   ASP  30          2HB       ASP  30   0.906   6.499   8.789
  219    H    TRP  31           H        TRP  31   1.594   4.331  11.355
  220    HA   TRP  31           HA       TRP  31   0.671   2.001   9.704
  221   1HB   TRP  31          1HB       TRP  31   3.418   2.867  10.530
  222   2HB   TRP  31          2HB       TRP  31   3.039   1.294   9.797
  223    HD1  TRP  31           HD1      TRP  31   2.717   5.040   8.951
  224    HE1  TRP  31           HE1      TRP  31   2.929   5.449   6.425
  225    HE3  TRP  31           HE3      TRP  31   3.106   0.181   7.416
  226    HZ2  TRP  31           HZ2      TRP  31   3.099   3.882   4.073
  227    HZ3  TRP  31           HZ3      TRP  31   3.260  -0.304   4.970
  228    HH2  TRP  31           HH2      TRP  31   2.986   1.492   3.333
  229    H    GLU  32           H        GLU  32   1.576   3.132  12.989
  230    HA   GLU  32           HA       GLU  32   1.508   0.882  14.510
  231   1HB   GLU  32          1HB       GLU  32   0.557   3.691  14.839
  232   2HB   GLU  32          2HB       GLU  32  -0.070   2.530  16.012
  233   1HG   GLU  32          1HG       GLU  32   2.140   1.869  16.696
  234   2HG   GLU  32          2HG       GLU  32   2.898   2.850  15.432
  235    HA   PRO  33           HA       PRO  33  -3.190   0.368  14.746
  236   1HB   PRO  33          1HB       PRO  33  -4.926   1.682  13.058
  237   2HB   PRO  33          2HB       PRO  33  -4.338   2.332  14.610
  238   1HG   PRO  33          1HG       PRO  33  -3.295   2.943  11.846
  239   2HG   PRO  33          2HG       PRO  33  -3.655   4.086  13.163
  240   1HD   PRO  33          1HD       PRO  33  -1.143   3.212  12.651
  241   2HD   PRO  33          2HD       PRO  33  -1.704   3.527  14.321
  242    H    ARG  34           H        ARG  34  -1.247   0.011  12.062
  243    HA   ARG  34           HA       ARG  34  -3.009  -2.077  10.851
  244   1HB   ARG  34          1HB       ARG  34  -0.870  -0.301   9.599
  245   2HB   ARG  34          2HB       ARG  34  -1.674  -1.669   8.819
  246   1HG   ARG  34          1HG       ARG  34  -3.192  -0.142   8.110
  247   2HG   ARG  34          2HG       ARG  34  -3.852  -0.242   9.736
  248   1HD   ARG  34          1HD       ARG  34  -2.199   1.715  10.270
  249   2HD   ARG  34          2HD       ARG  34  -1.998   1.829   8.521
  250    HE   ARG  34           HE       ARG  34  -4.782   1.839   9.531
  251   1HH1  ARG  34          2HH1      ARG  34  -2.176   3.961   8.539
  252   2HH1  ARG  34          1HH1      ARG  34  -3.094   5.387   8.403
  253   1HH2  ARG  34          1HH2      ARG  34  -6.105   3.698   9.342
  254   2HH2  ARG  34          2HH2      ARG  34  -5.396   5.166   8.718
  255    H    LEU  35           H        LEU  35   0.372  -1.286  11.751
  256    HA   LEU  35           HA       LEU  35   1.389  -3.949  11.606
  257   1HB   LEU  35          1HB       LEU  35   2.407  -1.349  12.142
  258   2HB   LEU  35          2HB       LEU  35   2.681  -2.230  13.632
  259    HG   LEU  35           HG       LEU  35   3.743  -2.885  10.860
  260   1HD1  LEU  35          1HD1      LEU  35   4.837  -1.052  12.087
  261   2HD1  LEU  35          2HD1      LEU  35   5.184  -2.177  13.422
  262   3HD1  LEU  35          3HD1      LEU  35   5.897  -2.443  11.815
  263   1HD2  LEU  35          1HD2      LEU  35   4.092  -4.521  13.398
  264   2HD2  LEU  35          2HD2      LEU  35   3.276  -5.053  11.910
  265   3HD2  LEU  35          3HD2      LEU  35   5.007  -4.726  11.889
  266    H    ALA  36           H        ALA  36  -0.766  -2.575  13.863
  267    HA   ALA  36           HA       ALA  36   0.027  -4.100  16.234
  268   1HB   ALA  36          1HB       ALA  36  -1.031  -1.900  16.492
  269   2HB   ALA  36          2HB       ALA  36  -2.445  -2.439  15.555
  270   3HB   ALA  36          3HB       ALA  36  -2.092  -3.165  17.138
  271    H    LYS  37           H        LYS  37  -2.095  -4.344  13.427
  272    HA   LYS  37           HA       LYS  37  -3.401  -6.736  14.426
  273   1HB   LYS  37          1HB       LYS  37  -3.520  -5.151  11.859
  274   2HB   LYS  37          2HB       LYS  37  -4.176  -6.786  11.914
  275   1HG   LYS  37          1HG       LYS  37  -5.015  -4.780  14.026
  276   2HG   LYS  37          2HG       LYS  37  -5.710  -4.719  12.399
  277   1HD   LYS  37          1HD       LYS  37  -6.292  -7.165  12.582
  278   2HD   LYS  37          2HD       LYS  37  -5.759  -7.136  14.274
  279   1HE   LYS  37          1HE       LYS  37  -7.481  -5.455  14.816
  280   2HE   LYS  37          2HE       LYS  37  -7.923  -5.307  13.108
  281   1HZ   LYS  37          1HZ       LYS  37  -8.639  -7.603  13.143
  282   2HZ   LYS  37          2HZ       LYS  37  -8.255  -7.747  14.735
  283   3HZ   LYS  37          3HZ       LYS  37  -9.458  -6.727  14.266
  284    H    GLY  38           H        GLY  38  -1.173  -5.901  11.743
  285   1HA   GLY  38          1HA       GLY  38   0.957  -7.426  12.148
  286   2HA   GLY  38          2HA       GLY  38  -0.146  -8.716  11.661
  287    H    VAL  39           H        VAL  39  -0.242  -9.201   9.549
  288    HA   VAL  39           HA       VAL  39   0.145  -7.183   7.462
  289    HB   VAL  39           HB       VAL  39   1.559  -9.100   6.277
  290   1HG1  VAL  39          1HG1      VAL  39   2.219  -6.773   6.649
  291   2HG1  VAL  39          2HG1      VAL  39   2.768  -7.192   8.289
  292   3HG1  VAL  39          3HG1      VAL  39   3.586  -7.889   6.867
  293   1HG2  VAL  39          1HG2      VAL  39   2.444  -9.549   9.157
  294   2HG2  VAL  39          2HG2      VAL  39   1.491 -10.704   8.194
  295   3HG2  VAL  39          3HG2      VAL  39   3.132 -10.258   7.690
  296    H    ASP  40           H        ASP  40  -0.348  -8.171   5.321
  297    HA   ASP  40           HA       ASP  40  -1.794  -9.100   3.944
  298   1HB   ASP  40          1HB       ASP  40  -1.286 -11.223   5.477
  299   2HB   ASP  40          2HB       ASP  40  -3.002 -11.058   5.870
  300    H    ASN  41           H        ASN  41  -3.005  -8.283   7.128
  301    HA   ASN  41           HA       ASN  41  -5.718  -7.967   6.578
  302   1HB   ASN  41          1HB       ASN  41  -4.639  -5.762   8.261
  303   2HB   ASN  41          2HB       ASN  41  -5.842  -6.943   8.709
  304   1HD2  ASN  41          1HD2      ASN  41  -2.692  -5.838   9.279
  305   2HD2  ASN  41          2HD2      ASN  41  -2.200  -7.220  10.237
  306    H    LEU  42           H        LEU  42  -3.212  -5.853   5.540
  307    HA   LEU  42           HA       LEU  42  -5.182  -3.791   4.629
  308   1HB   LEU  42          1HB       LEU  42  -2.230  -3.846   5.223
  309   2HB   LEU  42          2HB       LEU  42  -2.906  -2.612   4.199
  310    HG   LEU  42           HG       LEU  42  -2.736  -1.715   6.417
  311   1HD1  LEU  42          1HD1      LEU  42  -4.736  -1.202   4.980
  312   2HD1  LEU  42          2HD1      LEU  42  -5.695  -2.218   6.070
  313   3HD1  LEU  42          3HD1      LEU  42  -4.874  -0.788   6.699
  314   1HD2  LEU  42          1HD2      LEU  42  -4.678  -3.777   7.456
  315   2HD2  LEU  42          2HD2      LEU  42  -2.911  -3.917   7.688
  316   3HD2  LEU  42          3HD2      LEU  42  -3.816  -2.554   8.377
  317    H    VAL  43           H        VAL  43  -2.757  -6.094   3.383
  318    HA   VAL  43           HA       VAL  43  -2.889  -5.203   0.683
  319    HB   VAL  43           HB       VAL  43  -1.276  -6.917   1.757
  320   1HG1  VAL  43          1HG1      VAL  43  -3.131  -8.633   2.269
  321   2HG1  VAL  43          2HG1      VAL  43  -3.254  -8.903   0.542
  322   3HG1  VAL  43          3HG1      VAL  43  -1.733  -9.240   1.388
  323   1HG2  VAL  43          1HG2      VAL  43  -2.393  -7.355  -1.048
  324   2HG2  VAL  43          2HG2      VAL  43  -1.188  -6.141  -0.590
  325   3HG2  VAL  43          3HG2      VAL  43  -0.810  -7.876  -0.436
  326    H    LYS  44           H        LYS  44  -5.023  -7.313   2.703
  327    HA   LYS  44           HA       LYS  44  -6.840  -7.883   0.621
  328   1HB   LYS  44          1HB       LYS  44  -8.553  -8.214   2.267
  329   2HB   LYS  44          2HB       LYS  44  -7.064  -9.124   2.558
  330   1HG   LYS  44          1HG       LYS  44  -6.580  -8.081   4.461
  331   2HG   LYS  44          2HG       LYS  44  -7.085  -6.492   3.884
  332   1HD   LYS  44          1HD       LYS  44  -9.291  -8.442   4.365
  333   2HD   LYS  44          2HD       LYS  44  -8.365  -7.952   5.797
  334   1HE   LYS  44          1HE       LYS  44  -8.759  -5.633   5.463
  335   2HE   LYS  44          2HE       LYS  44  -9.412  -5.868   3.837
  336   1HZ   LYS  44          1HZ       LYS  44 -11.304  -6.981   4.789
  337   2HZ   LYS  44          2HZ       LYS  44 -10.692  -6.844   6.310
  338   3HZ   LYS  44          3HZ       LYS  44 -11.143  -5.496   5.479
  339    H    SER  45           H        SER  45  -6.588  -4.845   2.563
  340    HA   SER  45           HA       SER  45  -9.130  -3.799   1.642
  341   1HB   SER  45          1HB       SER  45  -6.660  -2.433   2.737
  342   2HB   SER  45          2HB       SER  45  -8.248  -1.680   2.492
  343    HG   SER  45           HG       SER  45  -7.912  -2.306   4.600
  344    H    VAL  46           H        VAL  46  -5.725  -3.635   0.623
  345    HA   VAL  46           HA       VAL  46  -5.982  -1.724  -1.417
  346    HB   VAL  46           HB       VAL  46  -4.093  -3.975  -0.843
  347   1HG1  VAL  46          1HG1      VAL  46  -3.989  -3.916  -3.257
  348   2HG1  VAL  46          2HG1      VAL  46  -3.837  -2.138  -3.234
  349   3HG1  VAL  46          3HG1      VAL  46  -2.546  -3.168  -2.564
  350   1HG2  VAL  46          1HG2      VAL  46  -3.518  -1.027  -1.010
  351   2HG2  VAL  46          2HG2      VAL  46  -4.094  -1.819   0.478
  352   3HG2  VAL  46          3HG2      VAL  46  -2.550  -2.295  -0.248
  353    H    LYS  47           H        LYS  47  -6.175  -5.298  -1.643
  354    HA   LYS  47           HA       LYS  47  -6.985  -5.327  -4.392
  355   1HB   LYS  47          1HB       LYS  47  -6.903  -7.531  -4.256
  356   2HB   LYS  47          2HB       LYS  47  -6.042  -7.092  -2.775
  357   1HG   LYS  47          1HG       LYS  47  -8.545  -7.282  -1.756
  358   2HG   LYS  47          2HG       LYS  47  -8.781  -8.343  -3.138
  359   1HD   LYS  47          1HD       LYS  47  -6.360  -8.584  -1.315
  360   2HD   LYS  47          2HD       LYS  47  -7.945  -9.205  -0.786
  361   1HE   LYS  47          1HE       LYS  47  -8.030 -10.748  -2.666
  362   2HE   LYS  47          2HE       LYS  47  -6.518 -10.098  -3.325
  363   1HZ   LYS  47          1HZ       LYS  47  -5.368 -10.879  -1.364
  364   2HZ   LYS  47          2HZ       LYS  47  -6.763 -11.403  -0.678
  365   3HZ   LYS  47          3HZ       LYS  47  -6.179 -12.139  -2.026
  366    H    THR  48           H        THR  48  -8.894  -5.059  -1.447
  367    HA   THR  48           HA       THR  48 -11.450  -5.284  -2.735
  368    HB   THR  48           HB       THR  48 -10.625  -3.990  -0.118
  369    HG1  THR  48           HG1      THR  48 -10.700  -5.978   0.597
  370   1HG2  THR  48          1HG2      THR  48 -12.888  -3.200  -0.644
  371   2HG2  THR  48          2HG2      THR  48 -13.385  -4.861  -1.058
  372   3HG2  THR  48          3HG2      THR  48 -12.956  -4.443   0.613
  373    H    GLY  49           H        GLY  49  -9.215  -2.530  -2.545
  374   1HA   GLY  49          1HA       GLY  49  -9.395  -0.502  -3.658
  375   2HA   GLY  49          2HA       GLY  49 -10.992  -0.948  -4.258
  376    H    LEU  50           H        LEU  50  -9.214   0.619  -1.695
  377    HA   LEU  50           HA       LEU  50 -11.458   1.230  -0.004
  378   1HB   LEU  50          1HB       LEU  50  -8.821   1.321   0.368
  379   2HB   LEU  50          2HB       LEU  50  -9.027   2.983  -0.133
  380    HG   LEU  50           HG       LEU  50 -11.054   2.662   1.803
  381   1HD1  LEU  50          1HD1      LEU  50 -10.167   0.475   2.435
  382   2HD1  LEU  50          2HD1      LEU  50  -8.556   1.189   2.619
  383   3HD1  LEU  50          3HD1      LEU  50  -9.858   1.662   3.725
  384   1HD2  LEU  50          1HD2      LEU  50  -8.192   3.676   2.101
  385   2HD2  LEU  50          2HD2      LEU  50  -9.578   4.626   1.520
  386   3HD2  LEU  50          3HD2      LEU  50  -9.541   4.050   3.196
  387    H    ASN  51           H        ASN  51 -11.625   3.831   0.435
  388    HA   ASN  51           HA       ASN  51 -13.685   4.471  -1.280
  389   1HB   ASN  51          1HB       ASN  51 -12.217   6.712   0.190
  390   2HB   ASN  51          2HB       ASN  51 -13.930   6.505  -0.069
  391   1HD2  ASN  51          1HD2      ASN  51 -13.940   3.642   0.818
  392   2HD2  ASN  51          2HD2      ASN  51 -13.062   3.584   2.335
  393    H    ALA  52           H        ALA  52 -10.692   6.088  -1.014
  394    HA   ALA  52           HA       ALA  52 -10.708   7.392  -3.680
  395   1HB   ALA  52          1HB       ALA  52 -10.250   8.698  -1.676
  396   2HB   ALA  52          2HB       ALA  52  -9.065   7.499  -1.152
  397   3HB   ALA  52          3HB       ALA  52  -8.708   8.542  -2.561
  398    H    MET  53           H        MET  53 -10.148   4.330  -3.038
  399    HA   MET  53           HA       MET  53  -7.572   4.216  -4.564
  400   1HB   MET  53          1HB       MET  53  -8.127   3.408  -1.962
  401   2HB   MET  53          2HB       MET  53  -8.055   1.885  -2.857
  402   1HG   MET  53          1HG       MET  53  -5.770   2.414  -3.561
  403   2HG   MET  53          2HG       MET  53  -6.009   4.083  -3.010
  404   1HE   MET  53          1HE       MET  53  -6.530   0.461  -1.323
  405   2HE   MET  53          2HE       MET  53  -4.925   0.540  -2.089
  406   3HE   MET  53          3HE       MET  53  -5.079   0.479  -0.312
  407    HA   PRO  54           HA       PRO  54 -10.084   1.684  -7.293
  408   1HB   PRO  54          1HB       PRO  54  -8.184   0.921  -9.145
  409   2HB   PRO  54          2HB       PRO  54  -8.908   2.553  -9.064
  410   1HG   PRO  54          1HG       PRO  54  -6.284   1.602  -7.970
  411   2HG   PRO  54          2HG       PRO  54  -6.605   3.112  -8.865
  412   1HD   PRO  54          1HD       PRO  54  -6.410   2.967  -6.116
  413   2HD   PRO  54          2HD       PRO  54  -7.451   4.166  -6.940
  414    HA   PRO  55           HA       PRO  55  -9.652  -2.376  -5.663
  415   1HB   PRO  55          1HB       PRO  55 -10.513  -4.036  -7.664
  416   2HB   PRO  55          2HB       PRO  55 -11.590  -2.926  -6.773
  417   1HG   PRO  55          1HG       PRO  55 -10.274  -2.455  -9.461
  418   2HG   PRO  55          2HG       PRO  55 -11.991  -2.215  -9.028
  419   1HD   PRO  55          1HD       PRO  55 -10.240  -0.158  -9.060
  420   2HD   PRO  55          2HD       PRO  55 -11.489  -0.252  -7.786
  421    H    GLY  56           H        GLY  56  -7.643  -3.173  -5.180
  422   1HA   GLY  56          1HA       GLY  56  -5.673  -4.358  -5.636
  423   2HA   GLY  56          2HA       GLY  56  -5.895  -4.144  -7.361
  424    H    GLY  57           H        GLY  57  -6.344  -1.210  -5.581
  425   1HA   GLY  57          1HA       GLY  57  -4.947   0.455  -4.840
  426   2HA   GLY  57          2HA       GLY  57  -3.547  -0.587  -5.064
  427    H    MET  58           H        MET  58  -3.760  -1.132  -7.805
  428    HA   MET  58           HA       MET  58  -4.407   1.037  -9.471
  429   1HB   MET  58          1HB       MET  58  -2.141   1.732  -8.217
  430   2HB   MET  58          2HB       MET  58  -1.402   0.679  -9.426
  431   1HG   MET  58          1HG       MET  58  -3.330   2.574 -10.592
  432   2HG   MET  58          2HG       MET  58  -2.107   3.370  -9.603
  433   1HE   MET  58          1HE       MET  58  -2.187   4.474 -12.258
  434   2HE   MET  58          2HE       MET  58  -0.802   4.766 -11.172
  435   3HE   MET  58          3HE       MET  58  -0.519   4.323 -12.870
  436    H    CYS  59           H        CYS  59  -2.165  -1.694  -9.095
  437    HA   CYS  59           HA       CYS  59  -2.335  -2.533 -11.905
  438   1HB   CYS  59          1HB       CYS  59  -0.243  -2.967 -11.157
  439   2HB   CYS  59          2HB       CYS  59  -0.736  -3.203  -9.478
  440    H    THR  60           H        THR  60  -3.003  -4.670 -12.535
  441    HA   THR  60           HA       THR  60  -5.364  -5.724 -11.019
  442    HB   THR  60           HB       THR  60  -4.641  -5.962 -13.966
  443    HG1  THR  60           HG1      THR  60  -6.665  -4.765 -14.051
  444   1HG2  THR  60          1HG2      THR  60  -5.807  -8.012 -13.260
  445   2HG2  THR  60          2HG2      THR  60  -7.012  -7.048 -12.378
  446   3HG2  THR  60          3HG2      THR  60  -6.926  -6.978 -14.151
  447    H    ASP  61           H        ASP  61  -2.773  -7.066 -13.180
  448    HA   ASP  61           HA       ASP  61  -3.166  -9.701 -12.034
  449   1HB   ASP  61          1HB       ASP  61  -2.809  -9.172 -14.486
  450   2HB   ASP  61          2HB       ASP  61  -1.131  -8.745 -14.097
  451    H    CYS  62           H        CYS  62  -2.544  -8.429  -9.925
  452    HA   CYS  62           HA       CYS  62   0.397  -8.364  -9.436
  453   1HB   CYS  62          1HB       CYS  62  -1.451  -7.503  -7.345
  454   2HB   CYS  62          2HB       CYS  62   0.055  -6.764  -7.878
  455    H    THR  63           H        THR  63   1.418  -9.582  -7.991
  456    HA   THR  63           HA       THR  63  -0.080 -11.867  -6.793
  457    HB   THR  63           HB       THR  63   2.883 -11.637  -7.430
  458    HG1  THR  63           HG1      THR  63   2.395 -12.693  -9.333
  459   1HG2  THR  63          1HG2      THR  63   2.148 -13.525  -5.885
  460   2HG2  THR  63          2HG2      THR  63   0.989 -14.033  -7.132
  461   3HG2  THR  63          3HG2      THR  63   2.729 -14.119  -7.449
  462    H    ASP  64           H        ASP  64   0.202 -12.326  -4.570
  463    HA   ASP  64           HA       ASP  64   0.728 -10.383  -2.727
  464   1HB   ASP  64          1HB       ASP  64   0.742 -13.368  -2.761
  465   2HB   ASP  64          2HB       ASP  64   1.262 -12.535  -1.298
  466    H    GLU  65           H        GLU  65   3.242 -12.465  -4.203
  467    HA   GLU  65           HA       GLU  65   5.383 -11.641  -2.549
  468   1HB   GLU  65          1HB       GLU  65   6.861 -12.227  -4.393
  469   2HB   GLU  65          2HB       GLU  65   5.630 -13.452  -4.092
  470   1HG   GLU  65          1HG       GLU  65   4.310 -12.513  -6.021
  471   2HG   GLU  65          2HG       GLU  65   5.684 -11.454  -6.399
  472    H    ASP  66           H        ASP  66   4.137  -9.987  -5.542
  473    HA   ASP  66           HA       ASP  66   5.946  -7.741  -5.176
  474   1HB   ASP  66          1HB       ASP  66   3.907  -8.600  -7.180
  475   2HB   ASP  66          2HB       ASP  66   4.027  -6.851  -6.932
  476    H    TYR  67           H        TYR  67   2.433  -8.327  -4.441
  477    HA   TYR  67           HA       TYR  67   1.923  -5.605  -3.656
  478   1HB   TYR  67          1HB       TYR  67   0.662  -8.296  -3.152
  479   2HB   TYR  67          2HB       TYR  67   0.244  -6.979  -2.082
  480    HD1  TYR  67           HD1      TYR  67  -1.405  -8.688  -4.219
  481    HD2  TYR  67           HD2      TYR  67  -0.069  -4.621  -3.713
  482    HE1  TYR  67           HE1      TYR  67  -3.341  -7.867  -5.538
  483    HE2  TYR  67           HE2      TYR  67  -1.883  -3.839  -5.199
  484    HH   TYR  67           HH       TYR  67  -3.458  -4.507  -6.711
  485    H    LYS  68           H        LYS  68   2.904  -8.449  -1.756
  486    HA   LYS  68           HA       LYS  68   2.863  -7.010   0.756
  487   1HB   LYS  68          1HB       LYS  68   4.085  -9.717   0.118
  488   2HB   LYS  68          2HB       LYS  68   3.913  -8.980   1.711
  489   1HG   LYS  68          1HG       LYS  68   1.448  -8.948   1.518
  490   2HG   LYS  68          2HG       LYS  68   1.547  -9.457  -0.157
  491   1HD   LYS  68          1HD       LYS  68   0.901 -11.370   0.850
  492   2HD   LYS  68          2HD       LYS  68   2.628 -11.637   0.634
  493   1HE   LYS  68          1HE       LYS  68   1.214 -10.715   3.210
  494   2HE   LYS  68          2HE       LYS  68   1.629 -12.386   2.840
  495   1HZ   LYS  68          1HZ       LYS  68   3.952 -11.747   2.755
  496   2HZ   LYS  68          2HZ       LYS  68   3.573 -10.199   3.158
  497   3HZ   LYS  68          3HZ       LYS  68   3.300 -11.416   4.230
  498    H    ALA  69           H        ALA  69   5.513  -8.065  -1.549
  499    HA   ALA  69           HA       ALA  69   7.670  -6.823  -0.225
  500   1HB   ALA  69          1HB       ALA  69   8.062  -8.239  -2.024
  501   2HB   ALA  69          2HB       ALA  69   7.132  -7.213  -3.121
  502   3HB   ALA  69          3HB       ALA  69   8.672  -6.629  -2.440
  503    H    ALA  70           H        ALA  70   5.013  -5.340  -2.057
  504    HA   ALA  70           HA       ALA  70   6.293  -2.715  -2.245
  505   1HB   ALA  70          1HB       ALA  70   4.811  -3.597  -3.972
  506   2HB   ALA  70          2HB       ALA  70   3.428  -3.522  -2.859
  507   3HB   ALA  70          3HB       ALA  70   4.258  -2.035  -3.343
  508    H    ILE  71           H        ILE  71   3.842  -4.178  -0.175
  509    HA   ILE  71           HA       ILE  71   3.338  -1.752   1.419
  510    HB   ILE  71           HB       ILE  71   2.550  -4.636   1.377
  511   1HG1  ILE  71          1HG1      ILE  71   0.746  -2.276   1.798
  512   2HG1  ILE  71          2HG1      ILE  71   1.469  -2.596   0.221
  513   1HG2  ILE  71          1HG2      ILE  71   2.947  -4.712   3.648
  514   2HG2  ILE  71          2HG2      ILE  71   2.437  -3.053   3.936
  515   3HG2  ILE  71          3HG2      ILE  71   1.236  -4.290   3.541
  516   1HD1  ILE  71          1HD1      ILE  71   0.537  -4.856   0.202
  517   2HD1  ILE  71          2HD1      ILE  71  -0.242  -4.567   1.778
  518   3HD1  ILE  71          3HD1      ILE  71  -0.725  -3.621   0.357
  519    H    GLU  72           H        GLU  72   5.220  -4.696   1.893
  520    HA   GLU  72           HA       GLU  72   6.358  -3.957   4.400
  521   1HB   GLU  72          1HB       GLU  72   7.720  -5.860   4.305
  522   2HB   GLU  72          2HB       GLU  72   6.170  -6.283   3.556
  523   1HG   GLU  72          1HG       GLU  72   7.549  -7.145   1.964
  524   2HG   GLU  72          2HG       GLU  72   7.565  -5.456   1.393
  525    H    PHE  73           H        PHE  73   7.333  -3.132   1.133
  526    HA   PHE  73           HA       PHE  73   9.831  -2.074   1.501
  527   1HB   PHE  73          1HB       PHE  73   8.372  -1.995  -0.559
  528   2HB   PHE  73          2HB       PHE  73   7.539  -0.614   0.129
  529    HD1  PHE  73           HD1      PHE  73   8.818   1.563   0.449
  530    HD2  PHE  73           HD2      PHE  73  10.561  -1.861  -1.505
  531    HE1  PHE  73           HE1      PHE  73  10.718   2.965  -0.317
  532    HE2  PHE  73           HE2      PHE  73  12.420  -0.437  -2.337
  533    HZ   PHE  73           HZ       PHE  73  12.527   1.951  -1.723
  534    H    MET  74           H        MET  74   6.798  -0.691   2.792
  535    HA   MET  74           HA       MET  74   8.176   1.738   3.712
  536   1HB   MET  74          1HB       MET  74   5.346   0.745   3.887
  537   2HB   MET  74          2HB       MET  74   5.869   2.306   4.567
  538   1HG   MET  74          1HG       MET  74   4.905   2.856   2.504
  539   2HG   MET  74          2HG       MET  74   6.621   2.822   2.102
  540   1HE   MET  74          1HE       MET  74   3.035   1.641   1.157
  541   2HE   MET  74          2HE       MET  74   3.972   2.749   0.106
  542   3HE   MET  74          3HE       MET  74   3.548   1.110  -0.443
  543    H    SER  75           H        SER  75   5.930  -0.488   5.390
  544    HA   SER  75           HA       SER  75   7.787  -1.034   7.561
  545   1HB   SER  75          1HB       SER  75   6.915   1.368   7.991
  546   2HB   SER  75          2HB       SER  75   5.370   0.599   8.395
  547    HG   SER  75           HG       SER  75   6.734   0.844  10.237
  548    H    LYS  76           H        LYS  76   6.270  -2.582   5.752
  549    HA   LYS  76           HA       LYS  76   4.639  -4.254   5.613
  550   1HB   LYS  76          1HB       LYS  76   5.339  -6.161   6.974
  551   2HB   LYS  76          2HB       LYS  76   6.653  -5.359   6.138
  552   1HG   LYS  76          1HG       LYS  76   7.418  -4.244   8.125
  553   2HG   LYS  76          2HG       LYS  76   6.101  -4.920   9.095
  554   1HD   LYS  76          1HD       LYS  76   8.040  -6.642   7.475
  555   2HD   LYS  76          2HD       LYS  76   8.466  -6.114   9.092
  556   1HE   LYS  76          1HE       LYS  76   5.770  -7.461   8.722
  557   2HE   LYS  76          2HE       LYS  76   7.215  -8.467   8.588
  558   1HZ   LYS  76          1HZ       LYS  76   7.883  -7.737  10.758
  559   2HZ   LYS  76          2HZ       LYS  76   6.578  -6.742  10.890
  560   3HZ   LYS  76          3HZ       LYS  76   6.370  -8.373  10.842
  561    H    ALA  77           H        ALA  77   2.947  -2.746   6.154
  562    HA   ALA  77           HA       ALA  77   1.131  -4.058   7.997
  563   1HB   ALA  77          1HB       ALA  77   2.019  -2.926   9.730
  564   2HB   ALA  77          2HB       ALA  77   2.474  -1.479   8.805
  565   3HB   ALA  77          3HB       ALA  77   0.783  -1.774   9.248
  566    H    LYS  78           H        LYS  78   1.674  -1.067   6.148
  567    HA   LYS  78           HA       LYS  78  -0.985  -1.411   4.961
  568   1HB   LYS  78          1HB       LYS  78  -1.861   0.677   5.592
  569   2HB   LYS  78          2HB       LYS  78  -1.079   0.088   7.017
  570   1HG   LYS  78          1HG       LYS  78   0.178   1.903   7.207
  571   2HG   LYS  78          2HG       LYS  78   0.826   1.656   5.598
  572   1HD   LYS  78          1HD       LYS  78  -1.783   3.097   6.166
  573   2HD   LYS  78          2HD       LYS  78  -0.242   3.911   5.893
  574   1HE   LYS  78          1HE       LYS  78  -1.602   2.026   3.951
  575   2HE   LYS  78          2HE       LYS  78  -1.738   3.724   3.827
  576   1HZ   LYS  78          1HZ       LYS  78   0.868   3.597   3.710
  577   2HZ   LYS  78          2HZ       LYS  78   0.530   1.994   3.397
  578   3HZ   LYS  78          3HZ       LYS  78  -0.007   3.104   2.376
  579    HHA  HEC  90           HHA      HEC  90  -5.716   4.020   3.162
  580    HHB  HEC  90           HHB      HEC  90  -1.204   0.086   0.778
  581    HHC  HEC  90           HHC      HEC  90  -2.012   2.943  -4.979
  582    HHD  HEC  90           HHD      HEC  90  -5.445   7.594  -2.180
  583   1HMA  HEC  90          1HMA      HEC  90  -3.798  -1.062   2.715
  584   2HMA  HEC  90          2HMA      HEC  90  -2.046  -0.845   2.506
  585   3HMA  HEC  90          3HMA      HEC  90  -2.808  -0.394   4.025
  586   1HAA  HEC  90          1HAA      HEC  90  -4.525   2.773   4.887
  587   2HAA  HEC  90          2HAA      HEC  90  -4.206   1.057   4.998
  588   1HBA  HEC  90          1HBA      HEC  90  -6.796   2.282   3.939
  589   2HBA  HEC  90          2HBA      HEC  90  -6.540   1.573   5.531
  590   1HMB  HEC  90          1HMB      HEC  90  -0.461  -1.478  -1.371
  591   2HMB  HEC  90          2HMB      HEC  90   0.851  -0.764  -2.311
  592   3HMB  HEC  90          3HMB      HEC  90   0.667  -0.331  -0.628
  593    HAB  HEC  90           HAB      HEC  90  -0.397   1.645  -5.158
  594   1HBB  HEC  90          1HBB      HEC  90  -1.322  -0.571  -5.395
  595   2HBB  HEC  90          2HBB      HEC  90   0.401  -0.582  -5.791
  596   3HBB  HEC  90          3HBB      HEC  90  -0.157  -1.239  -4.243
  597   1HMC  HEC  90          1HMC      HEC  90  -3.840   4.994  -6.841
  598   2HMC  HEC  90          2HMC      HEC  90  -2.504   6.150  -6.561
  599   3HMC  HEC  90          3HMC      HEC  90  -2.230   4.448  -6.415
  600    HAC  HEC  90           HAC      HEC  90  -5.692   7.635  -4.559
  601   1HBC  HEC  90          1HBC      HEC  90  -4.877   6.983  -6.815
  602   2HBC  HEC  90          2HBC      HEC  90  -5.085   8.714  -6.542
  603   3HBC  HEC  90          3HBC      HEC  90  -3.463   8.056  -6.512
  604   1HMD  HEC  90          1HMD      HEC  90  -7.689   8.266   0.228
  605   2HMD  HEC  90          2HMD      HEC  90  -6.389   9.018   1.135
  606   3HMD  HEC  90          3HMD      HEC  90  -6.256   8.888  -0.612
  607   1HAD  HEC  90          1HAD      HEC  90  -7.882   6.215   2.719
  608   2HAD  HEC  90          2HAD      HEC  90  -6.994   7.713   2.860
  609   1HBD  HEC  90          1HBD      HEC  90  -5.285   5.907   4.138
  610   2HBD  HEC  90          2HBD      HEC  90  -6.909   5.354   4.585
  Start of MODEL    8
    1   1H    ALA  -3          1H        ALA  -3   6.900   0.128 -13.794
    2   2H    ALA  -3          2H        ALA  -3   5.704   1.248 -13.682
    3   3H    ALA  -3          3H        ALA  -3   5.472  -0.256 -13.068
    4    HA   ALA  -3           HA       ALA  -3   4.295   0.070 -15.164
    5   1HB   ALA  -3          1HB       ALA  -3   5.879   1.693 -16.102
    6   2HB   ALA  -3          2HB       ALA  -3   7.118   0.426 -16.241
    7   3HB   ALA  -3          3HB       ALA  -3   5.640   0.340 -17.220
    8    H    ASP  -2           H        ASP  -2   6.165  -2.102 -13.484
    9    HA   ASP  -2           HA       ASP  -2   5.401  -4.339 -15.111
   10   1HB   ASP  -2          1HB       ASP  -2   7.451  -3.531 -16.293
   11   2HB   ASP  -2          2HB       ASP  -2   8.347  -3.582 -14.758
   12    H    LEU  -1           H        LEU  -1   5.280  -6.134 -13.813
   13    HA   LEU  -1           HA       LEU  -1   5.554  -5.691 -10.876
   14   1HB   LEU  -1          1HB       LEU  -1   3.906  -7.451 -12.638
   15   2HB   LEU  -1          2HB       LEU  -1   4.387  -8.137 -11.091
   16    HG   LEU  -1           HG       LEU  -1   2.179  -6.950 -11.110
   17   1HD1  LEU  -1          1HD1      LEU  -1   2.643  -7.294  -8.983
   18   2HD1  LEU  -1          2HD1      LEU  -1   4.334  -6.896  -9.169
   19   3HD1  LEU  -1          3HD1      LEU  -1   3.142  -5.607  -8.879
   20   1HD2  LEU  -1          1HD2      LEU  -1   3.875  -4.437 -11.444
   21   2HD2  LEU  -1          2HD2      LEU  -1   2.467  -4.986 -12.358
   22   3HD2  LEU  -1          3HD2      LEU  -1   2.308  -4.434 -10.683
   23    H    GLN   1           H        GLN   1   7.888  -5.548 -11.779
   24    HA   GLN   1           HA       GLN   1   9.238  -8.174 -11.319
   25   1HB   GLN   1          1HB       GLN   1   9.534  -6.120 -13.339
   26   2HB   GLN   1          2HB       GLN   1  10.990  -6.102 -12.358
   27   1HG   GLN   1          1HG       GLN   1  11.323  -7.605 -14.208
   28   2HG   GLN   1          2HG       GLN   1  11.255  -8.556 -12.717
   29   1HE2  GLN   1          1HE2      GLN   1   9.143  -7.404 -15.451
   30   2HE2  GLN   1          2HE2      GLN   1   8.182  -8.864 -15.461
   31    H    ASP   2           H        ASP   2   8.747  -5.054  -9.889
   32    HA   ASP   2           HA       ASP   2  10.640  -5.649  -7.749
   33   1HB   ASP   2          1HB       ASP   2  12.043  -4.543  -9.495
   34   2HB   ASP   2          2HB       ASP   2  10.978  -3.128  -9.435
   35    H    ALA   3           H        ALA   3   9.620  -5.177  -5.972
   36    HA   ALA   3           HA       ALA   3   7.166  -3.912  -5.457
   37   1HB   ALA   3          1HB       ALA   3   8.255  -5.280  -3.919
   38   2HB   ALA   3          2HB       ALA   3   9.694  -4.231  -3.842
   39   3HB   ALA   3          3HB       ALA   3   8.138  -3.643  -3.212
   40    H    GLU   4           H        GLU   4  10.442  -2.405  -5.666
   41    HA   GLU   4           HA       GLU   4   9.606   0.180  -4.766
   42   1HB   GLU   4          1HB       GLU   4  11.943  -0.388  -4.844
   43   2HB   GLU   4          2HB       GLU   4  11.905  -0.639  -6.591
   44   1HG   GLU   4          1HG       GLU   4  11.512   1.697  -7.021
   45   2HG   GLU   4          2HG       GLU   4  11.068   2.017  -5.335
   46    H    ALA   5           H        ALA   5   9.773  -1.343  -7.977
   47    HA   ALA   5           HA       ALA   5   8.994   1.086  -9.406
   48   1HB   ALA   5          1HB       ALA   5  10.417  -0.638 -10.433
   49   2HB   ALA   5          2HB       ALA   5   9.067  -1.797 -10.360
   50   3HB   ALA   5          3HB       ALA   5   8.937  -0.340 -11.370
   51    H    ILE   6           H        ILE   6   7.352  -1.759  -8.095
   52    HA   ILE   6           HA       ILE   6   4.797  -1.303  -9.339
   53    HB   ILE   6           HB       ILE   6   5.646  -2.737  -6.807
   54   1HG1  ILE   6          1HG1      ILE   6   4.643  -3.954  -9.385
   55   2HG1  ILE   6          2HG1      ILE   6   6.326  -3.483  -9.267
   56   1HG2  ILE   6          1HG2      ILE   6   3.280  -2.153  -6.523
   57   2HG2  ILE   6          2HG2      ILE   6   2.912  -2.718  -8.166
   58   3HG2  ILE   6          3HG2      ILE   6   3.402  -3.865  -6.905
   59   1HD1  ILE   6          1HD1      ILE   6   6.615  -4.904  -7.256
   60   2HD1  ILE   6          2HD1      ILE   6   4.954  -5.448  -7.398
   61   3HD1  ILE   6          3HD1      ILE   6   6.160  -5.818  -8.667
   62    H    TYR   7           H        TYR   7   6.036  -0.374  -6.004
   63    HA   TYR   7           HA       TYR   7   3.605   1.129  -5.621
   64   1HB   TYR   7          1HB       TYR   7   4.217   1.522  -3.504
   65   2HB   TYR   7          2HB       TYR   7   5.253   0.149  -3.822
   66    HD1  TYR   7           HD1      TYR   7   5.083   3.879  -3.586
   67    HD2  TYR   7           HD2      TYR   7   7.627   0.403  -3.577
   68    HE1  TYR   7           HE1      TYR   7   7.071   5.325  -3.210
   69    HE2  TYR   7           HE2      TYR   7   9.609   1.864  -3.283
   70    HH   TYR   7           HH       TYR   7  10.372   3.971  -3.208
   71    H    ASN   8           H        ASN   8   6.868   2.028  -6.673
   72    HA   ASN   8           HA       ASN   8   6.472   4.824  -6.766
   73   1HB   ASN   8          1HB       ASN   8   8.634   3.625  -6.675
   74   2HB   ASN   8          2HB       ASN   8   8.387   3.098  -8.357
   75   1HD2  ASN   8          1HD2      ASN   8  10.264   4.112  -9.128
   76   2HD2  ASN   8          2HD2      ASN   8  10.379   5.866  -9.177
   77    H    LYS   9           H        LYS   9   5.515   2.321  -9.090
   78    HA   LYS   9           HA       LYS   9   4.572   4.405 -10.973
   79   1HB   LYS   9          1HB       LYS   9   4.374   2.859 -12.544
   80   2HB   LYS   9          2HB       LYS   9   5.608   2.110 -11.578
   81   1HG   LYS   9          1HG       LYS   9   4.267   0.237 -11.568
   82   2HG   LYS   9          2HG       LYS   9   3.315   1.042 -10.397
   83   1HD   LYS   9          1HD       LYS   9   2.423   2.107 -12.921
   84   2HD   LYS   9          2HD       LYS   9   2.638   0.367 -13.174
   85   1HE   LYS   9          1HE       LYS   9   1.123  -0.091 -11.262
   86   2HE   LYS   9          2HE       LYS   9   1.050   1.651 -10.924
   87   1HZ   LYS   9          1HZ       LYS   9   0.054   2.001 -13.066
   88   2HZ   LYS   9          2HZ       LYS   9  -0.049   0.376 -13.314
   89   3HZ   LYS   9          3HZ       LYS   9  -0.881   1.098 -12.082
   90    H    ALA  10           H        ALA  10   3.228   2.599  -8.293
   91    HA   ALA  10           HA       ALA  10   0.412   3.074  -9.255
   92   1HB   ALA  10          1HB       ALA  10   1.111   0.646  -8.976
   93   2HB   ALA  10          2HB       ALA  10   1.372   0.962  -7.271
   94   3HB   ALA  10          3HB       ALA  10  -0.243   1.156  -7.958
   95    H    CYS  11           H        CYS  11   2.003   2.533  -6.110
   96    HA   CYS  11           HA       CYS  11   0.101   4.234  -4.711
   97   1HB   CYS  11          1HB       CYS  11   2.525   3.176  -3.388
   98   2HB   CYS  11          2HB       CYS  11   0.861   3.190  -2.827
   99    H    THR  12           H        THR  12   1.461   5.663  -6.677
  100    HA   THR  12           HA       THR  12   3.560   7.280  -5.295
  101    HB   THR  12           HB       THR  12   4.296   5.774  -7.180
  102    HG1  THR  12           HG1      THR  12   4.468   8.574  -7.485
  103   1HG2  THR  12          1HG2      THR  12   2.265   6.037  -8.649
  104   2HG2  THR  12          2HG2      THR  12   2.687   7.742  -8.910
  105   3HG2  THR  12          3HG2      THR  12   3.750   6.481  -9.499
  106    H    VAL  13           H        VAL  13   0.482   7.495  -6.298
  107    HA   VAL  13           HA       VAL  13   0.671  10.225  -7.458
  108    HB   VAL  13           HB       VAL  13  -1.736   8.384  -7.067
  109   1HG1  VAL  13          1HG1      VAL  13  -2.219  10.768  -7.430
  110   2HG1  VAL  13          2HG1      VAL  13  -1.156  10.761  -8.858
  111   3HG1  VAL  13          3HG1      VAL  13  -2.670   9.814  -8.860
  112   1HG2  VAL  13          1HG2      VAL  13   0.118   8.613  -9.473
  113   2HG2  VAL  13          2HG2      VAL  13  -0.170   7.159  -8.492
  114   3HG2  VAL  13          3HG2      VAL  13  -1.471   7.819  -9.481
  115    H    CYS  14           H        CYS  14  -0.569   8.335  -4.817
  116    HA   CYS  14           HA       CYS  14  -1.712  10.628  -3.370
  117   1HB   CYS  14          1HB       CYS  14  -2.103   7.645  -3.223
  118   2HB   CYS  14          2HB       CYS  14  -3.112   8.882  -2.430
  119    H    HIS  15           H        HIS  15   0.049   7.586  -2.644
  120    HA   HIS  15           HA       HIS  15   0.534   8.391   0.087
  121   1HB   HIS  15          1HB       HIS  15   1.479   6.079  -1.651
  122   2HB   HIS  15          2HB       HIS  15   1.993   6.274   0.015
  123    HD1  HIS  15           HD1      HIS  15   0.606   5.128   1.705
  124    HD2  HIS  15           HD2      HIS  15  -1.327   5.747  -1.954
  125    HE1  HIS  15           HE1      HIS  15  -1.513   3.735   1.797
  126    H    SER  16           H        SER  16   2.400   8.753  -2.797
  127    HA   SER  16           HA       SER  16   5.054   8.917  -1.746
  128   1HB   SER  16          1HB       SER  16   4.767   8.692  -4.086
  129   2HB   SER  16          2HB       SER  16   3.720  10.127  -4.199
  130    HG   SER  16           HG       SER  16   5.916  10.502  -4.859
  131    H    MET  17           H        MET  17   2.746  11.522  -2.507
  132    HA   MET  17           HA       MET  17   4.282  13.466  -0.848
  133   1HB   MET  17          1HB       MET  17   2.176  13.728  -3.013
  134   2HB   MET  17          2HB       MET  17   2.846  15.104  -2.121
  135   1HG   MET  17          1HG       MET  17   4.588  13.149  -3.692
  136   2HG   MET  17          2HG       MET  17   3.864  14.592  -4.397
  137   1HE   MET  17          1HE       MET  17   6.969  13.916  -4.534
  138   2HE   MET  17          2HE       MET  17   6.165  15.317  -5.293
  139   3HE   MET  17          3HE       MET  17   7.603  15.559  -4.274
  140    H    GLY  18           H        GLY  18   1.271  11.634  -0.840
  141   1HA   GLY  18          1HA       GLY  18  -0.231  11.413   0.909
  142   2HA   GLY  18          2HA       GLY  18   0.412  12.829   1.719
  143    H    VAL  19           H        VAL  19  -1.072  12.095  -1.469
  144    HA   VAL  19           HA       VAL  19  -2.659  14.613  -1.405
  145    HB   VAL  19           HB       VAL  19  -2.102  12.696  -3.703
  146   1HG1  VAL  19          1HG1      VAL  19  -4.199  13.814  -4.147
  147   2HG1  VAL  19          2HG1      VAL  19  -3.510  15.387  -3.668
  148   3HG1  VAL  19          3HG1      VAL  19  -2.942  14.554  -5.127
  149   1HG2  VAL  19          1HG2      VAL  19  -0.944  15.442  -3.082
  150   2HG2  VAL  19          2HG2      VAL  19  -0.074  13.895  -3.000
  151   3HG2  VAL  19          3HG2      VAL  19  -0.650  14.493  -4.557
  152    H    ALA  20           H        ALA  20  -4.904  14.493  -2.012
  153    HA   ALA  20           HA       ALA  20  -7.043  13.825  -1.554
  154   1HB   ALA  20          1HB       ALA  20  -6.499  12.285  -3.438
  155   2HB   ALA  20          2HB       ALA  20  -6.068  11.035  -2.248
  156   3HB   ALA  20          3HB       ALA  20  -7.730  11.648  -2.328
  157    H    GLY  21           H        GLY  21  -5.003  13.713   0.628
  158   1HA   GLY  21          1HA       GLY  21  -5.126  13.392   2.928
  159   2HA   GLY  21          2HA       GLY  21  -6.665  12.543   2.746
  160    H    ALA  22           H        ALA  22  -4.189  11.296   0.648
  161    HA   ALA  22           HA       ALA  22  -4.157   8.795   1.908
  162   1HB   ALA  22          1HB       ALA  22  -3.711   9.194  -0.460
  163   2HB   ALA  22          2HB       ALA  22  -2.185  10.000  -0.062
  164   3HB   ALA  22          3HB       ALA  22  -2.389   8.263   0.225
  165    HA   PRO  23           HA       PRO  23  -1.135   9.172   5.170
  166   1HB   PRO  23          1HB       PRO  23  -0.241   6.728   5.381
  167   2HB   PRO  23          2HB       PRO  23  -1.935   7.160   5.774
  168   1HG   PRO  23          1HG       PRO  23  -0.882   5.697   3.383
  169   2HG   PRO  23          2HG       PRO  23  -2.479   5.497   4.162
  170   1HD   PRO  23          1HD       PRO  23  -2.019   6.963   1.878
  171   2HD   PRO  23          2HD       PRO  23  -3.453   7.058   2.942
  172    H    LYS  24           H        LYS  24   1.213   8.798   5.660
  173    HA   LYS  24           HA       LYS  24   2.848   9.658   3.397
  174   1HB   LYS  24          1HB       LYS  24   3.591   8.924   6.234
  175   2HB   LYS  24          2HB       LYS  24   4.673   9.717   5.099
  176   1HG   LYS  24          1HG       LYS  24   2.034  10.960   6.000
  177   2HG   LYS  24          2HG       LYS  24   3.575  11.186   6.836
  178   1HD   LYS  24          1HD       LYS  24   4.590  12.082   4.736
  179   2HD   LYS  24          2HD       LYS  24   3.002  11.967   3.943
  180   1HE   LYS  24          1HE       LYS  24   2.061  13.451   5.776
  181   2HE   LYS  24          2HE       LYS  24   3.697  13.616   6.430
  182   1HZ   LYS  24          1HZ       LYS  24   4.353  14.607   4.313
  183   2HZ   LYS  24          2HZ       LYS  24   2.816  14.488   3.741
  184   3HZ   LYS  24          3HZ       LYS  24   3.145  15.465   5.022
  185    H    SER  25           H        SER  25   4.410   8.590   2.319
  186    HA   SER  25           HA       SER  25   4.735   5.881   2.038
  187   1HB   SER  25          1HB       SER  25   6.068   8.193   1.101
  188   2HB   SER  25          2HB       SER  25   7.343   7.207   1.832
  189    HG   SER  25           HG       SER  25   6.942   6.618  -0.351
  190    H    HIS  26           H        HIS  26   6.026   7.756   4.756
  191    HA   HIS  26           HA       HIS  26   6.703   5.242   6.087
  192   1HB   HIS  26          1HB       HIS  26   8.935   6.026   6.807
  193   2HB   HIS  26          2HB       HIS  26   8.826   5.626   5.095
  194    HD1  HIS  26           HD1      HIS  26   8.552   8.867   7.197
  195    HD2  HIS  26           HD2      HIS  26   9.705   7.449   3.425
  196    HE1  HIS  26           HE1      HIS  26   9.572  10.862   5.958
  197    H    ASN  27           H        ASN  27   5.555   5.370   7.928
  198    HA   ASN  27           HA       ASN  27   5.873   7.687   9.686
  199   1HB   ASN  27          1HB       ASN  27   3.336   6.896   8.245
  200   2HB   ASN  27          2HB       ASN  27   3.189   7.112   9.979
  201   1HD2  ASN  27          1HD2      ASN  27   1.608   8.741   8.922
  202   2HD2  ASN  27          2HD2      ASN  27   2.272  10.324   8.617
  203    H    THR  28           H        THR  28   5.098   7.091  11.859
  204    HA   THR  28           HA       THR  28   4.980   4.106  12.288
  205    HB   THR  28           HB       THR  28   5.810   6.309  14.203
  206    HG1  THR  28           HG1      THR  28   7.745   4.815  13.942
  207   1HG2  THR  28          1HG2      THR  28   4.755   4.486  15.449
  208   2HG2  THR  28          2HG2      THR  28   5.660   3.272  14.522
  209   3HG2  THR  28          3HG2      THR  28   6.504   4.368  15.636
  210    H    ALA  29           H        ALA  29   3.295   7.214  12.953
  211    HA   ALA  29           HA       ALA  29   1.363   5.966  14.666
  212   1HB   ALA  29          1HB       ALA  29   2.007   8.289  14.850
  213   2HB   ALA  29          2HB       ALA  29   1.297   8.631  13.245
  214   3HB   ALA  29          3HB       ALA  29   0.254   8.109  14.594
  215    H    ASP  30           H        ASP  30   1.338   6.527  11.142
  216    HA   ASP  30           HA       ASP  30  -1.516   5.877  10.879
  217   1HB   ASP  30          1HB       ASP  30   0.696   5.961   8.778
  218   2HB   ASP  30          2HB       ASP  30  -1.096   5.880   8.515
  219    H    TRP  31           H        TRP  31   1.593   4.267  10.812
  220    HA   TRP  31           HA       TRP  31   0.596   1.754   9.681
  221   1HB   TRP  31          1HB       TRP  31   3.275   2.616  10.715
  222   2HB   TRP  31          2HB       TRP  31   2.921   1.009   9.996
  223    HD1  TRP  31           HD1      TRP  31   3.043   4.780   9.099
  224    HE1  TRP  31           HE1      TRP  31   3.357   5.157   6.612
  225    HE3  TRP  31           HE3      TRP  31   3.015  -0.105   7.536
  226    HZ2  TRP  31           HZ2      TRP  31   3.279   3.617   4.233
  227    HZ3  TRP  31           HZ3      TRP  31   3.085  -0.570   5.051
  228    HH2  TRP  31           HH2      TRP  31   3.068   1.262   3.463
  229    H    GLU  32           H        GLU  32   1.545   2.982  12.995
  230    HA   GLU  32           HA       GLU  32   1.339   0.718  14.499
  231   1HB   GLU  32          1HB       GLU  32   0.661   3.587  14.920
  232   2HB   GLU  32          2HB       GLU  32   0.036   2.462  16.128
  233   1HG   GLU  32          1HG       GLU  32   2.216   1.619  16.653
  234   2HG   GLU  32          2HG       GLU  32   2.960   2.476  15.299
  235    HA   PRO  33           HA       PRO  33  -3.379   0.517  14.983
  236   1HB   PRO  33          1HB       PRO  33  -5.104   2.180  13.676
  237   2HB   PRO  33          2HB       PRO  33  -4.219   2.680  15.144
  238   1HG   PRO  33          1HG       PRO  33  -3.402   3.205  12.265
  239   2HG   PRO  33          2HG       PRO  33  -3.584   4.401  13.578
  240   1HD   PRO  33          1HD       PRO  33  -1.184   3.319  12.985
  241   2HD   PRO  33          2HD       PRO  33  -1.656   3.611  14.689
  242    H    ARG  34           H        ARG  34  -1.721   0.475  12.031
  243    HA   ARG  34           HA       ARG  34  -3.723  -1.315  10.695
  244   1HB   ARG  34          1HB       ARG  34  -1.395   0.385   9.780
  245   2HB   ARG  34          2HB       ARG  34  -1.834  -1.062   8.886
  246   1HG   ARG  34          1HG       ARG  34  -2.784   1.038   7.979
  247   2HG   ARG  34          2HG       ARG  34  -3.975  -0.210   8.316
  248   1HD   ARG  34          1HD       ARG  34  -3.437   2.033  10.265
  249   2HD   ARG  34          2HD       ARG  34  -4.514   2.278   8.915
  250    HE   ARG  34           HE       ARG  34  -5.016   0.660  11.299
  251   1HH1  ARG  34          2HH1      ARG  34  -6.306   1.249   8.046
  252   2HH1  ARG  34          1HH1      ARG  34  -7.653   0.191   8.314
  253   1HH2  ARG  34          1HH2      ARG  34  -6.687  -0.590  11.616
  254   2HH2  ARG  34          2HH2      ARG  34  -7.928  -0.805  10.392
  255    H    LEU  35           H        LEU  35  -0.539  -1.098  12.182
  256    HA   LEU  35           HA       LEU  35   0.162  -3.865  11.571
  257   1HB   LEU  35          1HB       LEU  35   1.592  -1.816  11.107
  258   2HB   LEU  35          2HB       LEU  35   1.748  -1.569  12.838
  259    HG   LEU  35           HG       LEU  35   3.220  -3.374  13.087
  260   1HD1  LEU  35          1HD1      LEU  35   1.970  -5.207  12.080
  261   2HD1  LEU  35          2HD1      LEU  35   2.088  -4.426  10.488
  262   3HD1  LEU  35          3HD1      LEU  35   3.534  -5.101  11.247
  263   1HD2  LEU  35          1HD2      LEU  35   3.788  -2.695  10.209
  264   2HD2  LEU  35          2HD2      LEU  35   4.072  -1.529  11.536
  265   3HD2  LEU  35          3HD2      LEU  35   4.910  -3.094  11.530
  266    H    ALA  36           H        ALA  36  -1.851  -2.991  13.658
  267    HA   ALA  36           HA       ALA  36  -0.702  -4.285  16.107
  268   1HB   ALA  36          1HB       ALA  36  -1.513  -1.998  16.464
  269   2HB   ALA  36          2HB       ALA  36  -3.089  -2.425  15.765
  270   3HB   ALA  36          3HB       ALA  36  -2.557  -3.167  17.292
  271    H    LYS  37           H        LYS  37  -1.887  -5.293  13.444
  272    HA   LYS  37           HA       LYS  37  -3.676  -7.367  14.576
  273   1HB   LYS  37          1HB       LYS  37  -4.144  -5.544  12.191
  274   2HB   LYS  37          2HB       LYS  37  -4.856  -7.158  12.213
  275   1HG   LYS  37          1HG       LYS  37  -5.219  -5.356  14.616
  276   2HG   LYS  37          2HG       LYS  37  -6.225  -5.132  13.183
  277   1HD   LYS  37          1HD       LYS  37  -7.204  -7.243  13.316
  278   2HD   LYS  37          2HD       LYS  37  -5.923  -7.926  14.330
  279   1HE   LYS  37          1HE       LYS  37  -6.645  -6.851  16.286
  280   2HE   LYS  37          2HE       LYS  37  -7.596  -5.640  15.413
  281   1HZ   LYS  37          1HZ       LYS  37  -9.173  -7.309  14.821
  282   2HZ   LYS  37          2HZ       LYS  37  -8.284  -8.510  15.508
  283   3HZ   LYS  37          3HZ       LYS  37  -8.970  -7.349  16.451
  284    H    GLY  38           H        GLY  38  -1.563  -6.372  11.792
  285   1HA   GLY  38          1HA       GLY  38   0.138  -8.520  11.791
  286   2HA   GLY  38          2HA       GLY  38  -1.260  -9.092  10.856
  287    H    VAL  39           H        VAL  39  -0.345  -9.043   8.811
  288    HA   VAL  39           HA       VAL  39   0.443  -6.367   7.704
  289    HB   VAL  39           HB       VAL  39   1.760  -8.974   6.878
  290   1HG1  VAL  39          1HG1      VAL  39   1.989  -6.998   5.393
  291   2HG1  VAL  39          2HG1      VAL  39   2.614  -6.058   6.765
  292   3HG1  VAL  39          3HG1      VAL  39   3.547  -7.420   6.132
  293   1HG2  VAL  39          1HG2      VAL  39   2.690  -7.122   9.114
  294   2HG2  VAL  39          2HG2      VAL  39   2.300  -8.854   9.252
  295   3HG2  VAL  39          3HG2      VAL  39   3.708  -8.345   8.324
  296    H    ASP  40           H        ASP  40  -0.335  -9.725   6.712
  297    HA   ASP  40           HA       ASP  40  -1.412  -8.996   4.229
  298   1HB   ASP  40          1HB       ASP  40  -2.049 -11.566   5.659
  299   2HB   ASP  40          2HB       ASP  40  -1.708 -11.270   3.943
  300    H    ASN  41           H        ASN  41  -2.721  -7.553   6.309
  301    HA   ASN  41           HA       ASN  41  -5.601  -8.309   6.148
  302   1HB   ASN  41          1HB       ASN  41  -4.292  -6.158   7.877
  303   2HB   ASN  41          2HB       ASN  41  -5.861  -6.896   8.140
  304   1HD2  ASN  41          1HD2      ASN  41  -3.618  -6.425   9.930
  305   2HD2  ASN  41          2HD2      ASN  41  -3.177  -8.013  10.537
  306    H    LEU  42           H        LEU  42  -3.176  -5.709   5.742
  307    HA   LEU  42           HA       LEU  42  -5.158  -3.846   4.660
  308   1HB   LEU  42          1HB       LEU  42  -2.254  -3.820   5.503
  309   2HB   LEU  42          2HB       LEU  42  -2.813  -2.608   4.385
  310    HG   LEU  42           HG       LEU  42  -2.946  -1.574   6.454
  311   1HD1  LEU  42          1HD1      LEU  42  -5.141  -1.531   5.060
  312   2HD1  LEU  42          2HD1      LEU  42  -5.807  -2.581   6.327
  313   3HD1  LEU  42          3HD1      LEU  42  -5.227  -0.970   6.732
  314   1HD2  LEU  42          1HD2      LEU  42  -4.342  -3.990   7.632
  315   2HD2  LEU  42          2HD2      LEU  42  -2.615  -3.607   7.833
  316   3HD2  LEU  42          3HD2      LEU  42  -3.857  -2.534   8.500
  317    H    VAL  43           H        VAL  43  -2.369  -5.747   3.434
  318    HA   VAL  43           HA       VAL  43  -2.507  -4.754   0.781
  319    HB   VAL  43           HB       VAL  43  -0.798  -6.309   1.964
  320   1HG1  VAL  43          1HG1      VAL  43  -2.502  -8.127   2.407
  321   2HG1  VAL  43          2HG1      VAL  43  -2.483  -8.435   0.649
  322   3HG1  VAL  43          3HG1      VAL  43  -1.013  -8.666   1.602
  323   1HG2  VAL  43          1HG2      VAL  43  -1.670  -6.657  -0.916
  324   2HG2  VAL  43          2HG2      VAL  43  -0.448  -5.529  -0.308
  325   3HG2  VAL  43          3HG2      VAL  43  -0.132  -7.270  -0.280
  326    H    LYS  44           H        LYS  44  -4.642  -6.880   2.592
  327    HA   LYS  44           HA       LYS  44  -6.055  -7.797   0.275
  328   1HB   LYS  44          1HB       LYS  44  -7.066  -7.802   3.118
  329   2HB   LYS  44          2HB       LYS  44  -7.678  -8.775   1.790
  330   1HG   LYS  44          1HG       LYS  44  -4.851  -8.957   2.906
  331   2HG   LYS  44          2HG       LYS  44  -6.177  -9.945   3.458
  332   1HD   LYS  44          1HD       LYS  44  -5.957 -11.418   1.821
  333   2HD   LYS  44          2HD       LYS  44  -6.008 -10.175   0.568
  334   1HE   LYS  44          1HE       LYS  44  -3.772 -10.128   0.271
  335   2HE   LYS  44          2HE       LYS  44  -3.400 -10.283   2.001
  336   1HZ   LYS  44          1HZ       LYS  44  -3.682 -12.598   1.870
  337   2HZ   LYS  44          2HZ       LYS  44  -4.170 -12.538   0.286
  338   3HZ   LYS  44          3HZ       LYS  44  -2.653 -12.122   0.682
  339    H    SER  45           H        SER  45  -6.399  -4.965   2.406
  340    HA   SER  45           HA       SER  45  -8.993  -4.106   1.389
  341   1HB   SER  45          1HB       SER  45  -6.826  -2.769   3.034
  342   2HB   SER  45          2HB       SER  45  -8.216  -1.880   2.384
  343    HG   SER  45           HG       SER  45  -8.800  -2.638   4.405
  344    H    VAL  46           H        VAL  46  -5.575  -3.653   0.585
  345    HA   VAL  46           HA       VAL  46  -5.929  -1.691  -1.455
  346    HB   VAL  46           HB       VAL  46  -3.924  -3.803  -0.805
  347   1HG1  VAL  46          1HG1      VAL  46  -3.866  -3.810  -3.308
  348   2HG1  VAL  46          2HG1      VAL  46  -3.660  -2.037  -3.250
  349   3HG1  VAL  46          3HG1      VAL  46  -2.413  -3.113  -2.580
  350   1HG2  VAL  46          1HG2      VAL  46  -3.699  -0.873  -1.178
  351   2HG2  VAL  46          2HG2      VAL  46  -4.068  -1.711   0.375
  352   3HG2  VAL  46          3HG2      VAL  46  -2.504  -1.980  -0.428
  353    H    LYS  47           H        LYS  47  -5.976  -5.247  -1.718
  354    HA   LYS  47           HA       LYS  47  -6.465  -5.249  -4.464
  355   1HB   LYS  47          1HB       LYS  47  -6.395  -7.476  -4.337
  356   2HB   LYS  47          2HB       LYS  47  -5.806  -7.038  -2.732
  357   1HG   LYS  47          1HG       LYS  47  -8.471  -7.280  -2.168
  358   2HG   LYS  47          2HG       LYS  47  -8.397  -8.321  -3.590
  359   1HD   LYS  47          1HD       LYS  47  -6.125  -8.868  -1.869
  360   2HD   LYS  47          2HD       LYS  47  -7.546  -8.674  -0.848
  361   1HE   LYS  47          1HE       LYS  47  -7.691 -10.512  -3.264
  362   2HE   LYS  47          2HE       LYS  47  -6.846 -11.061  -1.819
  363   1HZ   LYS  47          1HZ       LYS  47  -8.820 -10.689  -0.527
  364   2HZ   LYS  47          2HZ       LYS  47  -9.644 -10.124  -1.830
  365   3HZ   LYS  47          3HZ       LYS  47  -9.167 -11.698  -1.775
  366    H    THR  48           H        THR  48  -8.755  -4.888  -1.814
  367    HA   THR  48           HA       THR  48 -11.132  -5.114  -3.554
  368    HB   THR  48           HB       THR  48 -12.375  -4.403  -1.539
  369    HG1  THR  48           HG1      THR  48 -11.145  -4.293   0.401
  370   1HG2  THR  48          1HG2      THR  48 -11.879  -6.821  -1.944
  371   2HG2  THR  48          2HG2      THR  48 -10.392  -6.653  -0.980
  372   3HG2  THR  48          3HG2      THR  48 -11.971  -6.419  -0.216
  373    H    GLY  49           H        GLY  49  -9.040  -2.491  -2.396
  374   1HA   GLY  49          1HA       GLY  49  -9.037  -0.263  -3.092
  375   2HA   GLY  49          2HA       GLY  49 -10.560  -0.460  -3.955
  376    H    LEU  50           H        LEU  50  -9.125   0.506  -1.021
  377    HA   LEU  50           HA       LEU  50 -11.536   0.923   0.501
  378   1HB   LEU  50          1HB       LEU  50  -8.950   1.056   1.071
  379   2HB   LEU  50          2HB       LEU  50  -9.123   2.735   0.629
  380    HG   LEU  50           HG       LEU  50 -11.286   2.154   2.429
  381   1HD1  LEU  50          1HD1      LEU  50 -10.110   0.047   3.008
  382   2HD1  LEU  50          2HD1      LEU  50  -8.661   0.984   3.441
  383   3HD1  LEU  50          3HD1      LEU  50 -10.158   1.182   4.372
  384   1HD2  LEU  50          1HD2      LEU  50  -8.585   3.432   3.028
  385   2HD2  LEU  50          2HD2      LEU  50  -9.960   4.277   2.287
  386   3HD2  LEU  50          3HD2      LEU  50 -10.085   3.661   3.950
  387    H    ASN  51           H        ASN  51 -12.123   3.317   0.998
  388    HA   ASN  51           HA       ASN  51 -13.790   4.128  -0.922
  389   1HB   ASN  51          1HB       ASN  51 -12.553   6.201   0.971
  390   2HB   ASN  51          2HB       ASN  51 -14.167   6.205   0.279
  391   1HD2  ASN  51          1HD2      ASN  51 -11.963   4.856   2.641
  392   2HD2  ASN  51          2HD2      ASN  51 -13.002   3.575   3.206
  393    H    ALA  52           H        ALA  52 -10.853   5.903  -0.267
  394    HA   ALA  52           HA       ALA  52 -10.861   7.246  -2.937
  395   1HB   ALA  52          1HB       ALA  52 -10.782   8.715  -1.049
  396   2HB   ALA  52          2HB       ALA  52  -9.499   7.774  -0.287
  397   3HB   ALA  52          3HB       ALA  52  -9.163   8.718  -1.774
  398    H    MET  53           H        MET  53 -10.065   4.337  -2.235
  399    HA   MET  53           HA       MET  53  -7.421   4.437  -3.641
  400   1HB   MET  53          1HB       MET  53  -8.676   2.545  -1.655
  401   2HB   MET  53          2HB       MET  53  -7.524   1.902  -2.811
  402   1HG   MET  53          1HG       MET  53  -6.350   4.277  -1.817
  403   2HG   MET  53          2HG       MET  53  -7.031   3.477  -0.410
  404   1HE   MET  53          1HE       MET  53  -6.279   1.459   0.627
  405   2HE   MET  53          2HE       MET  53  -6.712   0.398  -0.725
  406   3HE   MET  53          3HE       MET  53  -5.117   0.269   0.009
  407    HA   PRO  54           HA       PRO  54  -9.101   2.463  -7.160
  408   1HB   PRO  54          1HB       PRO  54  -6.940   1.269  -8.280
  409   2HB   PRO  54          2HB       PRO  54  -7.092   3.043  -8.153
  410   1HG   PRO  54          1HG       PRO  54  -5.600   1.205  -6.248
  411   2HG   PRO  54          2HG       PRO  54  -4.992   2.692  -7.032
  412   1HD   PRO  54          1HD       PRO  54  -6.006   2.670  -4.508
  413   2HD   PRO  54          2HD       PRO  54  -6.269   4.055  -5.606
  414    HA   PRO  55           HA       PRO  55  -9.997  -1.705  -5.527
  415   1HB   PRO  55          1HB       PRO  55 -11.573  -2.664  -7.510
  416   2HB   PRO  55          2HB       PRO  55 -12.114  -1.370  -6.404
  417   1HG   PRO  55          1HG       PRO  55 -10.950  -1.042  -9.184
  418   2HG   PRO  55          2HG       PRO  55 -12.444  -0.309  -8.532
  419   1HD   PRO  55          1HD       PRO  55 -10.080   1.027  -8.591
  420   2HD   PRO  55          2HD       PRO  55 -11.211   1.234  -7.215
  421    H    GLY  56           H        GLY  56  -8.288  -3.170  -5.391
  422   1HA   GLY  56          1HA       GLY  56  -7.085  -4.970  -6.421
  423   2HA   GLY  56          2HA       GLY  56  -7.438  -4.325  -7.981
  424    H    GLY  57           H        GLY  57  -6.311  -2.293  -5.292
  425   1HA   GLY  57          1HA       GLY  57  -4.522  -0.847  -5.179
  426   2HA   GLY  57          2HA       GLY  57  -3.599  -2.331  -5.490
  427    H    MET  58           H        MET  58  -5.703  -0.672  -7.809
  428    HA   MET  58           HA       MET  58  -5.316   0.448  -9.755
  429   1HB   MET  58          1HB       MET  58  -3.378   1.451  -8.189
  430   2HB   MET  58          2HB       MET  58  -2.327   0.650  -9.350
  431   1HG   MET  58          1HG       MET  58  -4.524   2.621 -10.113
  432   2HG   MET  58          2HG       MET  58  -2.883   3.083  -9.675
  433   1HE   MET  58          1HE       MET  58  -3.965   4.278 -12.157
  434   2HE   MET  58          2HE       MET  58  -2.294   4.436 -11.569
  435   3HE   MET  58          3HE       MET  58  -2.603   4.032 -13.274
  436    H    CYS  59           H        CYS  59  -2.537  -1.683  -9.165
  437    HA   CYS  59           HA       CYS  59  -2.729  -2.980 -11.835
  438   1HB   CYS  59          1HB       CYS  59  -0.529  -2.619 -11.243
  439   2HB   CYS  59          2HB       CYS  59  -0.795  -2.981  -9.538
  440    H    THR  60           H        THR  60  -4.681  -4.046 -11.783
  441    HA   THR  60           HA       THR  60  -5.500  -5.923  -9.789
  442    HB   THR  60           HB       THR  60  -6.972  -5.077 -11.529
  443    HG1  THR  60           HG1      THR  60  -7.957  -7.079 -11.936
  444   1HG2  THR  60          1HG2      THR  60  -5.413  -5.177 -13.515
  445   2HG2  THR  60          2HG2      THR  60  -5.572  -6.949 -13.492
  446   3HG2  THR  60          3HG2      THR  60  -6.986  -5.936 -13.796
  447    H    ASP  61           H        ASP  61  -3.329  -6.298 -12.596
  448    HA   ASP  61           HA       ASP  61  -2.934  -9.123 -12.184
  449   1HB   ASP  61          1HB       ASP  61  -2.950  -7.708 -14.379
  450   2HB   ASP  61          2HB       ASP  61  -1.282  -7.288 -13.968
  451    H    CYS  62           H        CYS  62  -2.395  -8.336  -9.837
  452    HA   CYS  62           HA       CYS  62   0.597  -8.195  -9.410
  453   1HB   CYS  62          1HB       CYS  62  -1.670  -6.627  -8.144
  454   2HB   CYS  62          2HB       CYS  62  -0.219  -7.018  -7.231
  455    H    THR  63           H        THR  63   1.498  -9.643  -8.000
  456    HA   THR  63           HA       THR  63  -0.383 -11.601  -6.765
  457    HB   THR  63           HB       THR  63   2.601 -11.929  -7.272
  458    HG1  THR  63           HG1      THR  63   1.968 -11.827  -9.272
  459   1HG2  THR  63          1HG2      THR  63   1.541 -13.571  -5.717
  460   2HG2  THR  63          2HG2      THR  63   0.296 -13.909  -6.945
  461   3HG2  THR  63          3HG2      THR  63   1.989 -14.324  -7.259
  462    H    ASP  64           H        ASP  64  -0.277 -11.981  -4.517
  463    HA   ASP  64           HA       ASP  64   0.501 -10.104  -2.692
  464   1HB   ASP  64          1HB       ASP  64  -0.091 -13.001  -2.689
  465   2HB   ASP  64          2HB       ASP  64   0.870 -12.485  -1.321
  466    H    GLU  65           H        GLU  65   2.702 -12.493  -4.109
  467    HA   GLU  65           HA       GLU  65   5.021 -12.217  -2.543
  468   1HB   GLU  65          1HB       GLU  65   4.567 -12.437  -5.554
  469   2HB   GLU  65          2HB       GLU  65   6.156 -12.577  -4.811
  470   1HG   GLU  65          1HG       GLU  65   3.896 -14.401  -3.875
  471   2HG   GLU  65          2HG       GLU  65   4.809 -14.747  -5.347
  472    H    ASP  66           H        ASP  66   3.895 -10.182  -5.275
  473    HA   ASP  66           HA       ASP  66   6.100  -8.294  -5.027
  474   1HB   ASP  66          1HB       ASP  66   3.756  -7.584  -6.704
  475   2HB   ASP  66          2HB       ASP  66   5.478  -7.708  -7.133
  476    H    TYR  67           H        TYR  67   2.620  -8.458  -4.431
  477    HA   TYR  67           HA       TYR  67   2.154  -5.735  -3.826
  478   1HB   TYR  67          1HB       TYR  67   0.688  -8.136  -4.101
  479   2HB   TYR  67          2HB       TYR  67   0.452  -7.726  -2.426
  480    HD1  TYR  67           HD1      TYR  67  -1.885  -7.755  -2.890
  481    HD2  TYR  67           HD2      TYR  67   0.652  -5.227  -5.285
  482    HE1  TYR  67           HE1      TYR  67  -3.866  -6.772  -3.978
  483    HE2  TYR  67           HE2      TYR  67  -1.337  -4.292  -6.391
  484    HH   TYR  67           HH       TYR  67  -3.644  -4.664  -6.802
  485    H    LYS  68           H        LYS  68   2.957  -8.451  -1.651
  486    HA   LYS  68           HA       LYS  68   2.983  -6.786   0.752
  487   1HB   LYS  68          1HB       LYS  68   3.819  -9.578   0.132
  488   2HB   LYS  68          2HB       LYS  68   4.265  -8.841   1.669
  489   1HG   LYS  68          1HG       LYS  68   2.154  -8.726   2.499
  490   2HG   LYS  68          2HG       LYS  68   1.405  -8.486   0.926
  491   1HD   LYS  68          1HD       LYS  68   0.761 -10.584   2.044
  492   2HD   LYS  68          2HD       LYS  68   1.367 -10.801   0.410
  493   1HE   LYS  68          1HE       LYS  68   3.211 -11.109   2.824
  494   2HE   LYS  68          2HE       LYS  68   2.096 -12.403   2.386
  495   1HZ   LYS  68          1HZ       LYS  68   3.040 -12.522   0.216
  496   2HZ   LYS  68          2HZ       LYS  68   4.125 -11.345   0.542
  497   3HZ   LYS  68          3HZ       LYS  68   4.203 -12.767   1.351
  498    H    ALA  69           H        ALA  69   5.541  -8.107  -1.486
  499    HA   ALA  69           HA       ALA  69   7.744  -6.902  -0.223
  500   1HB   ALA  69          1HB       ALA  69   7.914  -8.425  -2.101
  501   2HB   ALA  69          2HB       ALA  69   7.200  -7.201  -3.174
  502   3HB   ALA  69          3HB       ALA  69   8.785  -6.914  -2.411
  503    H    ALA  70           H        ALA  70   5.080  -5.313  -1.920
  504    HA   ALA  70           HA       ALA  70   6.507  -2.687  -1.975
  505   1HB   ALA  70          1HB       ALA  70   5.181  -3.156  -3.898
  506   2HB   ALA  70          2HB       ALA  70   3.739  -3.486  -2.905
  507   3HB   ALA  70          3HB       ALA  70   4.425  -1.851  -2.969
  508    H    ILE  71           H        ILE  71   3.765  -4.251  -0.340
  509    HA   ILE  71           HA       ILE  71   3.074  -2.134   1.418
  510    HB   ILE  71           HB       ILE  71   2.183  -4.738   0.919
  511   1HG1  ILE  71          1HG1      ILE  71   0.441  -4.303   2.571
  512   2HG1  ILE  71          2HG1      ILE  71   1.344  -2.859   3.073
  513   1HG2  ILE  71          1HG2      ILE  71   3.733  -5.672   2.720
  514   2HG2  ILE  71          2HG2      ILE  71   2.878  -4.649   3.888
  515   3HG2  ILE  71          3HG2      ILE  71   2.016  -5.920   3.013
  516   1HD1  ILE  71          1HD1      ILE  71   1.018  -1.914   0.807
  517   2HD1  ILE  71          2HD1      ILE  71   0.187  -3.396   0.295
  518   3HD1  ILE  71          3HD1      ILE  71  -0.535  -2.346   1.532
  519    H    GLU  72           H        GLU  72   5.618  -4.465   1.703
  520    HA   GLU  72           HA       GLU  72   6.468  -3.486   4.354
  521   1HB   GLU  72          1HB       GLU  72   8.052  -5.271   4.374
  522   2HB   GLU  72          2HB       GLU  72   6.461  -5.885   3.910
  523   1HG   GLU  72          1HG       GLU  72   7.407  -6.842   2.114
  524   2HG   GLU  72          2HG       GLU  72   7.744  -5.230   1.463
  525    H    PHE  73           H        PHE  73   7.223  -2.738   1.043
  526    HA   PHE  73           HA       PHE  73   9.864  -1.814   1.319
  527   1HB   PHE  73          1HB       PHE  73   8.395  -1.878  -0.751
  528   2HB   PHE  73          2HB       PHE  73   7.675  -0.361  -0.222
  529    HD1  PHE  73           HD1      PHE  73   9.216   1.690   0.068
  530    HD2  PHE  73           HD2      PHE  73  10.557  -1.993  -1.730
  531    HE1  PHE  73           HE1      PHE  73  11.227   2.848  -0.810
  532    HE2  PHE  73           HE2      PHE  73  12.554  -0.822  -2.626
  533    HZ   PHE  73           HZ       PHE  73  12.858   1.608  -2.228
  534    H    MET  74           H        MET  74   6.834  -0.143   2.134
  535    HA   MET  74           HA       MET  74   8.072   2.263   3.178
  536   1HB   MET  74          1HB       MET  74   5.316   1.021   3.258
  537   2HB   MET  74          2HB       MET  74   5.695   2.550   4.092
  538   1HG   MET  74          1HG       MET  74   4.937   3.363   2.032
  539   2HG   MET  74          2HG       MET  74   6.658   3.239   1.715
  540   1HE   MET  74          1HE       MET  74   3.310   0.992   1.298
  541   2HE   MET  74          2HE       MET  74   3.196   2.577   0.486
  542   3HE   MET  74          3HE       MET  74   3.301   1.087  -0.470
  543    H    SER  75           H        SER  75   6.263  -0.329   4.943
  544    HA   SER  75           HA       SER  75   8.329  -0.325   7.051
  545   1HB   SER  75          1HB       SER  75   5.422   0.366   7.468
  546   2HB   SER  75          2HB       SER  75   6.382  -0.370   8.747
  547    HG   SER  75           HG       SER  75   6.337   2.000   8.764
  548    H    LYS  76           H        LYS  76   5.149  -1.771   7.552
  549    HA   LYS  76           HA       LYS  76   5.438  -4.204   6.143
  550   1HB   LYS  76          1HB       LYS  76   5.785  -5.589   8.335
  551   2HB   LYS  76          2HB       LYS  76   7.161  -5.041   7.399
  552   1HG   LYS  76          1HG       LYS  76   7.655  -3.257   8.921
  553   2HG   LYS  76          2HG       LYS  76   6.133  -3.468   9.774
  554   1HD   LYS  76          1HD       LYS  76   8.414  -5.512   9.640
  555   2HD   LYS  76          2HD       LYS  76   8.241  -4.274  10.891
  556   1HE   LYS  76          1HE       LYS  76   5.793  -5.343  11.143
  557   2HE   LYS  76          2HE       LYS  76   6.570  -6.755  10.426
  558   1HZ   LYS  76          1HZ       LYS  76   8.209  -6.627  12.230
  559   2HZ   LYS  76          2HZ       LYS  76   7.439  -5.320  12.865
  560   3HZ   LYS  76          3HZ       LYS  76   6.688  -6.779  12.839
  561    H    ALA  77           H        ALA  77   3.391  -2.665   6.032
  562    HA   ALA  77           HA       ALA  77   1.283  -4.248   7.185
  563   1HB   ALA  77          1HB       ALA  77   1.810  -2.827   9.144
  564   2HB   ALA  77          2HB       ALA  77   1.347  -1.396   8.246
  565   3HB   ALA  77          3HB       ALA  77   0.153  -2.666   8.568
  566    H    LYS  78           H        LYS  78   1.346  -0.834   6.298
  567    HA   LYS  78           HA       LYS  78  -1.009  -1.315   4.624
  568   1HB   LYS  78          1HB       LYS  78  -1.949   0.569   5.605
  569   2HB   LYS  78          2HB       LYS  78  -1.030  -0.174   6.887
  570   1HG   LYS  78          1HG       LYS  78  -0.223   1.908   7.283
  571   2HG   LYS  78          2HG       LYS  78   0.838   1.574   5.933
  572   1HD   LYS  78          1HD       LYS  78  -0.048   3.126   4.621
  573   2HD   LYS  78          2HD       LYS  78  -1.664   2.566   4.862
  574   1HE   LYS  78          1HE       LYS  78  -1.718   4.694   5.911
  575   2HE   LYS  78          2HE       LYS  78  -1.516   3.657   7.275
  576   1HZ   LYS  78          1HZ       LYS  78   0.788   4.129   7.314
  577   2HZ   LYS  78          2HZ       LYS  78   0.791   4.786   5.806
  578   3HZ   LYS  78          3HZ       LYS  78   0.066   5.591   7.032
  579    HHA  HEC  90           HHA      HEC  90  -5.755   4.062   3.285
  580    HHB  HEC  90           HHB      HEC  90  -1.315   0.021   0.878
  581    HHC  HEC  90           HHC      HEC  90  -2.009   2.937  -4.876
  582    HHD  HEC  90           HHD      HEC  90  -5.313   7.647  -1.974
  583   1HMA  HEC  90          1HMA      HEC  90  -3.862  -1.159   2.683
  584   2HMA  HEC  90          2HMA      HEC  90  -2.117  -0.840   2.722
  585   3HMA  HEC  90          3HMA      HEC  90  -3.120  -0.469   4.138
  586   1HAA  HEC  90          1HAA      HEC  90  -4.913   0.734   4.839
  587   2HAA  HEC  90          2HAA      HEC  90  -5.985   2.001   4.289
  588   1HBA  HEC  90          1HBA      HEC  90  -3.954   3.611   4.934
  589   2HBA  HEC  90          2HBA      HEC  90  -3.457   2.212   5.913
  590   1HMB  HEC  90          1HMB      HEC  90  -0.353  -1.464  -1.196
  591   2HMB  HEC  90          2HMB      HEC  90   0.876  -0.744  -2.230
  592   3HMB  HEC  90          3HMB      HEC  90   0.746  -0.210  -0.572
  593    HAB  HEC  90           HAB      HEC  90  -0.592   1.443  -5.133
  594   1HBB  HEC  90          1HBB      HEC  90  -1.566  -0.810  -4.970
  595   2HBB  HEC  90          2HBB      HEC  90   0.012  -0.774  -5.771
  596   3HBB  HEC  90          3HBB      HEC  90  -0.126  -1.370  -4.110
  597   1HMC  HEC  90          1HMC      HEC  90  -3.832   5.097  -6.763
  598   2HMC  HEC  90          2HMC      HEC  90  -2.525   6.228  -6.334
  599   3HMC  HEC  90          3HMC      HEC  90  -2.240   4.496  -6.313
  600    HAC  HEC  90           HAC      HEC  90  -5.531   7.884  -4.042
  601   1HBC  HEC  90          1HBC      HEC  90  -5.991   6.454  -6.058
  602   2HBC  HEC  90          2HBC      HEC  90  -5.968   8.222  -6.261
  603   3HBC  HEC  90          3HBC      HEC  90  -4.588   7.271  -6.811
  604   1HMD  HEC  90          1HMD      HEC  90  -7.425   8.319  -0.211
  605   2HMD  HEC  90          2HMD      HEC  90  -6.731   8.882   1.321
  606   3HMD  HEC  90          3HMD      HEC  90  -5.841   9.061  -0.183
  607   1HAD  HEC  90          1HAD      HEC  90  -7.612   5.604   3.047
  608   2HAD  HEC  90          2HAD      HEC  90  -7.760   7.254   2.494
  609   1HBD  HEC  90          1HBD      HEC  90  -5.653   7.791   3.856
  610   2HBD  HEC  90          2HBD      HEC  90  -5.841   6.184   4.592
  Start of MODEL    9
    1   1H    ALA  -3          1H        ALA  -3   2.874  -0.086 -14.334
    2   2H    ALA  -3          2H        ALA  -3   2.976   1.362 -15.126
    3   3H    ALA  -3          3H        ALA  -3   2.581  -0.010 -15.948
    4    HA   ALA  -3           HA       ALA  -3   4.838   0.659 -16.393
    5   1HB   ALA  -3          1HB       ALA  -3   5.480   1.641 -14.313
    6   2HB   ALA  -3          2HB       ALA  -3   5.188   0.145 -13.406
    7   3HB   ALA  -3          3HB       ALA  -3   6.524   0.248 -14.578
    8    H    ASP  -2           H        ASP  -2   5.655  -1.840 -14.094
    9    HA   ASP  -2           HA       ASP  -2   4.561  -4.018 -15.659
   10   1HB   ASP  -2          1HB       ASP  -2   6.692  -3.061 -16.886
   11   2HB   ASP  -2          2HB       ASP  -2   7.594  -3.799 -15.553
   12    H    LEU  -1           H        LEU  -1   4.238  -5.697 -14.247
   13    HA   LEU  -1           HA       LEU  -1   5.111  -5.333 -11.507
   14   1HB   LEU  -1          1HB       LEU  -1   2.831  -5.955 -12.240
   15   2HB   LEU  -1          2HB       LEU  -1   3.418  -7.515 -12.794
   16    HG   LEU  -1           HG       LEU  -1   2.281  -6.933 -10.426
   17   1HD1  LEU  -1          1HD1      LEU  -1   2.661  -9.204 -11.377
   18   2HD1  LEU  -1          2HD1      LEU  -1   4.315  -9.178 -10.726
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.929  -9.100  -9.635
   20   1HD2  LEU  -1          1HD2      LEU  -1   5.192  -7.196  -9.585
   21   2HD2  LEU  -1          2HD2      LEU  -1   4.309  -5.661  -9.570
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.751  -6.987  -8.568
   23    H    GLN   1           H        GLN   1   7.337  -5.434 -12.365
   24    HA   GLN   1           HA       GLN   1   8.441  -8.208 -12.062
   25   1HB   GLN   1          1HB       GLN   1   9.224  -5.846 -13.744
   26   2HB   GLN   1          2HB       GLN   1  10.553  -6.502 -12.807
   27   1HG   GLN   1          1HG       GLN   1  10.794  -7.731 -14.689
   28   2HG   GLN   1          2HG       GLN   1   9.773  -8.852 -13.785
   29   1HE2  GLN   1          1HE2      GLN   1   7.240  -8.402 -14.227
   30   2HE2  GLN   1          2HE2      GLN   1   6.887  -7.615 -15.766
   31    H    ASP   2           H        ASP   2   8.127  -5.153 -10.483
   32    HA   ASP   2           HA       ASP   2   9.823  -6.123  -8.317
   33   1HB   ASP   2          1HB       ASP   2  11.325  -4.852  -9.921
   34   2HB   ASP   2          2HB       ASP   2  10.378  -3.397  -9.563
   35    H    ALA   3           H        ALA   3   8.743  -5.828  -6.569
   36    HA   ALA   3           HA       ALA   3   6.375  -4.448  -6.022
   37   1HB   ALA   3          1HB       ALA   3   7.442  -6.155  -4.688
   38   2HB   ALA   3          2HB       ALA   3   8.783  -5.060  -4.274
   39   3HB   ALA   3          3HB       ALA   3   7.132  -4.688  -3.718
   40    H    GLU   4           H        GLU   4   9.778  -3.209  -5.937
   41    HA   GLU   4           HA       GLU   4   9.211  -0.655  -4.803
   42   1HB   GLU   4          1HB       GLU   4  11.481  -1.407  -5.006
   43   2HB   GLU   4          2HB       GLU   4  11.376  -1.491  -6.766
   44   1HG   GLU   4          1HG       GLU   4  11.130   0.915  -6.963
   45   2HG   GLU   4          2HG       GLU   4  10.887   1.102  -5.221
   46    H    ALA   5           H        ALA   5   9.216  -1.840  -8.162
   47    HA   ALA   5           HA       ALA   5   8.576   0.756  -9.322
   48   1HB   ALA   5          1HB       ALA   5   9.795  -0.964 -10.583
   49   2HB   ALA   5          2HB       ALA   5   8.364  -2.023 -10.538
   50   3HB   ALA   5          3HB       ALA   5   8.295  -0.473 -11.401
   51    H    ILE   6           H        ILE   6   6.715  -2.066  -8.201
   52    HA   ILE   6           HA       ILE   6   4.243  -1.157  -9.291
   53    HB   ILE   6           HB       ILE   6   5.100  -3.377  -7.768
   54   1HG1  ILE   6          1HG1      ILE   6   3.686  -3.417  -9.740
   55   2HG1  ILE   6          2HG1      ILE   6   2.987  -4.348  -8.400
   56   1HG2  ILE   6          1HG2      ILE   6   4.383  -2.449  -5.638
   57   2HG2  ILE   6          2HG2      ILE   6   2.777  -2.073  -6.283
   58   3HG2  ILE   6          3HG2      ILE   6   3.313  -3.752  -6.129
   59   1HD1  ILE   6          1HD1      ILE   6   1.330  -2.654  -7.956
   60   2HD1  ILE   6          2HD1      ILE   6   2.057  -1.539  -9.138
   61   3HD1  ILE   6          3HD1      ILE   6   1.369  -3.075  -9.673
   62    H    TYR   7           H        TYR   7   5.656  -0.666  -5.954
   63    HA   TYR   7           HA       TYR   7   3.427   1.023  -5.353
   64   1HB   TYR   7          1HB       TYR   7   4.179   1.209  -3.221
   65   2HB   TYR   7          2HB       TYR   7   5.051  -0.231  -3.701
   66    HD1  TYR   7           HD1      TYR   7   7.441  -0.201  -3.563
   67    HD2  TYR   7           HD2      TYR   7   5.233   3.471  -3.185
   68    HE1  TYR   7           HE1      TYR   7   9.573   1.077  -3.349
   69    HE2  TYR   7           HE2      TYR   7   7.351   4.725  -2.902
   70    HH   TYR   7           HH       TYR   7   9.630   4.620  -3.039
   71    H    ASN   8           H        ASN   8   6.690   1.731  -6.470
   72    HA   ASN   8           HA       ASN   8   6.549   4.551  -6.295
   73   1HB   ASN   8          1HB       ASN   8   8.593   3.119  -6.354
   74   2HB   ASN   8          2HB       ASN   8   8.262   2.772  -8.066
   75   1HD2  ASN   8          1HD2      ASN   8  10.217   3.654  -8.787
   76   2HD2  ASN   8          2HD2      ASN   8  10.534   5.379  -8.672
   77    H    LYS   9           H        LYS   9   5.346   2.332  -8.795
   78    HA   LYS   9           HA       LYS   9   4.548   4.660 -10.443
   79   1HB   LYS   9          1HB       LYS   9   5.406   2.453 -11.398
   80   2HB   LYS   9          2HB       LYS   9   3.856   1.776 -10.895
   81   1HG   LYS   9          1HG       LYS   9   3.476   2.295 -13.073
   82   2HG   LYS   9          2HG       LYS   9   2.776   3.708 -12.327
   83   1HD   LYS   9          1HD       LYS   9   5.674   3.684 -13.326
   84   2HD   LYS   9          2HD       LYS   9   4.310   3.933 -14.428
   85   1HE   LYS   9          1HE       LYS   9   3.604   5.892 -12.931
   86   2HE   LYS   9          2HE       LYS   9   5.188   5.741 -12.145
   87   1HZ   LYS   9          1HZ       LYS   9   6.232   6.052 -14.276
   88   2HZ   LYS   9          2HZ       LYS   9   4.772   6.238 -15.015
   89   3HZ   LYS   9          3HZ       LYS   9   5.274   7.332 -13.899
   90    H    ALA  10           H        ALA  10   3.111   2.583  -8.001
   91    HA   ALA  10           HA       ALA  10   0.355   3.455  -8.793
   92   1HB   ALA  10          1HB       ALA  10   0.750   1.028  -8.763
   93   2HB   ALA  10          2HB       ALA  10   1.197   1.119  -7.042
   94   3HB   ALA  10          3HB       ALA  10  -0.433   1.550  -7.542
   95    H    CYS  11           H        CYS  11   2.025   2.689  -5.685
   96    HA   CYS  11           HA       CYS  11   0.141   4.382  -4.202
   97   1HB   CYS  11          1HB       CYS  11   2.511   3.265  -2.841
   98   2HB   CYS  11          2HB       CYS  11   0.820   3.249  -2.365
   99    H    THR  12           H        THR  12   1.422   5.859  -6.081
  100    HA   THR  12           HA       THR  12   3.629   7.360  -4.753
  101    HB   THR  12           HB       THR  12   4.258   5.732  -6.610
  102    HG1  THR  12           HG1      THR  12   4.702   8.474  -7.028
  103   1HG2  THR  12          1HG2      THR  12   2.270   6.230  -8.097
  104   2HG2  THR  12          2HG2      THR  12   2.910   7.861  -8.376
  105   3HG2  THR  12          3HG2      THR  12   3.819   6.467  -8.924
  106    H    VAL  13           H        VAL  13   0.566   7.665  -5.816
  107    HA   VAL  13           HA       VAL  13   0.828  10.449  -6.823
  108    HB   VAL  13           HB       VAL  13  -1.558   8.529  -6.677
  109   1HG1  VAL  13          1HG1      VAL  13  -2.145  10.903  -6.786
  110   2HG1  VAL  13          2HG1      VAL  13  -1.032  11.118  -8.161
  111   3HG1  VAL  13          3HG1      VAL  13  -2.495  10.107  -8.338
  112   1HG2  VAL  13          1HG2      VAL  13   0.350   9.099  -8.985
  113   2HG2  VAL  13          2HG2      VAL  13   0.109   7.537  -8.172
  114   3HG2  VAL  13          3HG2      VAL  13  -1.197   8.238  -9.125
  115    H    CYS  14           H        CYS  14  -1.002   8.464  -4.561
  116    HA   CYS  14           HA       CYS  14  -1.964  10.689  -2.958
  117   1HB   CYS  14          1HB       CYS  14  -2.309   7.695  -2.920
  118   2HB   CYS  14          2HB       CYS  14  -3.302   8.849  -1.999
  119    H    HIS  15           H        HIS  15  -0.239   7.639  -2.280
  120    HA   HIS  15           HA       HIS  15   0.285   8.350   0.424
  121   1HB   HIS  15          1HB       HIS  15   1.242   6.105  -1.387
  122   2HB   HIS  15          2HB       HIS  15   1.740   6.231   0.292
  123    HD1  HIS  15           HD1      HIS  15   0.310   5.032   1.940
  124    HD2  HIS  15           HD2      HIS  15  -1.500   5.718  -1.762
  125    HE1  HIS  15           HE1      HIS  15  -1.812   3.634   1.941
  126    H    SER  16           H        SER  16   2.059   9.130  -2.405
  127    HA   SER  16           HA       SER  16   4.718   9.092  -1.323
  128   1HB   SER  16          1HB       SER  16   4.034   9.209  -3.742
  129   2HB   SER  16          2HB       SER  16   3.733  10.941  -3.540
  130    HG   SER  16           HG       SER  16   5.920  10.230  -4.254
  131    H    MET  17           H        MET  17   2.351  11.734  -1.685
  132    HA   MET  17           HA       MET  17   3.905  13.428   0.224
  133   1HB   MET  17          1HB       MET  17   3.129  14.040  -2.300
  134   2HB   MET  17          2HB       MET  17   1.675  14.535  -1.428
  135   1HG   MET  17          1HG       MET  17   3.061  16.445  -1.557
  136   2HG   MET  17          2HG       MET  17   3.252  15.877   0.108
  137   1HE   MET  17          1HE       MET  17   5.096  18.018  -1.330
  138   2HE   MET  17          2HE       MET  17   5.382  17.470   0.345
  139   3HE   MET  17          3HE       MET  17   6.719  17.483  -0.832
  140    H    GLY  18           H        GLY  18   0.841  11.737  -0.207
  141   1HA   GLY  18          1HA       GLY  18  -0.671  11.245   1.463
  142   2HA   GLY  18          2HA       GLY  18  -0.141  12.596   2.457
  143    H    VAL  19           H        VAL  19  -1.458  12.055  -0.833
  144    HA   VAL  19           HA       VAL  19  -3.157  14.499  -0.651
  145    HB   VAL  19           HB       VAL  19  -2.281  12.833  -3.041
  146   1HG1  VAL  19          1HG1      VAL  19  -4.478  13.720  -3.568
  147   2HG1  VAL  19          2HG1      VAL  19  -4.022  15.326  -2.936
  148   3HG1  VAL  19          3HG1      VAL  19  -3.260  14.678  -4.401
  149   1HG2  VAL  19          1HG2      VAL  19  -1.546  15.648  -2.146
  150   2HG2  VAL  19          2HG2      VAL  19  -0.487  14.222  -2.091
  151   3HG2  VAL  19          3HG2      VAL  19  -1.019  14.861  -3.649
  152    H    ALA  20           H        ALA  20  -5.352  14.341  -1.403
  153    HA   ALA  20           HA       ALA  20  -7.481  13.565  -1.075
  154   1HB   ALA  20          1HB       ALA  20  -6.835  12.195  -3.044
  155   2HB   ALA  20          2HB       ALA  20  -6.344  10.884  -1.947
  156   3HB   ALA  20          3HB       ALA  20  -8.040  11.398  -2.011
  157    H    GLY  21           H        GLY  21  -5.535  13.407   1.160
  158   1HA   GLY  21          1HA       GLY  21  -5.775  12.972   3.438
  159   2HA   GLY  21          2HA       GLY  21  -7.200  11.977   3.122
  160    H    ALA  22           H        ALA  22  -4.592  11.007   1.072
  161    HA   ALA  22           HA       ALA  22  -4.433   8.512   2.307
  162   1HB   ALA  22          1HB       ALA  22  -4.023   8.845  -0.039
  163   2HB   ALA  22          2HB       ALA  22  -2.581   9.818   0.283
  164   3HB   ALA  22          3HB       ALA  22  -2.589   8.087   0.645
  165    HA   PRO  23           HA       PRO  23  -1.171   8.918   5.578
  166   1HB   PRO  23          1HB       PRO  23  -0.341   6.429   5.600
  167   2HB   PRO  23          2HB       PRO  23  -1.998   6.889   6.151
  168   1HG   PRO  23          1HG       PRO  23  -1.236   5.628   3.555
  169   2HG   PRO  23          2HG       PRO  23  -2.613   5.224   4.647
  170   1HD   PRO  23          1HD       PRO  23  -2.907   6.773   2.460
  171   2HD   PRO  23          2HD       PRO  23  -3.872   6.988   3.949
  172    H    LYS  24           H        LYS  24   1.194   8.396   5.722
  173    HA   LYS  24           HA       LYS  24   2.576   8.769   3.051
  174   1HB   LYS  24          1HB       LYS  24   3.096  10.159   5.679
  175   2HB   LYS  24          2HB       LYS  24   4.170  10.222   4.270
  176   1HG   LYS  24          1HG       LYS  24   2.967  11.724   3.169
  177   2HG   LYS  24          2HG       LYS  24   1.418  10.967   3.532
  178   1HD   LYS  24          1HD       LYS  24   3.035  12.562   5.572
  179   2HD   LYS  24          2HD       LYS  24   1.801  13.294   4.535
  180   1HE   LYS  24          1HE       LYS  24   0.057  12.445   5.722
  181   2HE   LYS  24          2HE       LYS  24   0.777  10.846   5.849
  182   1HZ   LYS  24          1HZ       LYS  24   2.120  11.562   7.668
  183   2HZ   LYS  24          2HZ       LYS  24   1.539  13.101   7.571
  184   3HZ   LYS  24          3HZ       LYS  24   0.544  11.853   7.989
  185    H    SER  25           H        SER  25   4.360   7.516   2.655
  186    HA   SER  25           HA       SER  25   5.040   5.382   4.523
  187   1HB   SER  25          1HB       SER  25   6.548   4.788   2.583
  188   2HB   SER  25          2HB       SER  25   4.809   4.919   2.223
  189    HG   SER  25           HG       SER  25   6.189   6.062   0.689
  190    H    HIS  26           H        HIS  26   5.644   7.544   5.970
  191    HA   HIS  26           HA       HIS  26   8.580   7.288   6.168
  192   1HB   HIS  26          1HB       HIS  26   9.243   9.414   5.780
  193   2HB   HIS  26          2HB       HIS  26   7.901   9.348   4.646
  194    HD1  HIS  26           HD1      HIS  26   9.263  11.461   7.303
  195    HD2  HIS  26           HD2      HIS  26   5.428  10.281   6.084
  196    HE1  HIS  26           HE1      HIS  26   7.620  13.081   8.396
  197    H    ASN  27           H        ASN  27   5.689   8.598   7.656
  198    HA   ASN  27           HA       ASN  27   6.956   8.955  10.301
  199   1HB   ASN  27          1HB       ASN  27   4.434   9.354  10.883
  200   2HB   ASN  27          2HB       ASN  27   5.337  10.603   9.999
  201   1HD2  ASN  27          1HD2      ASN  27   4.033   7.610   8.497
  202   2HD2  ASN  27          2HD2      ASN  27   2.747   8.427   7.627
  203    H    THR  28           H        THR  28   6.628   7.483  12.049
  204    HA   THR  28           HA       THR  28   5.603   4.842  11.219
  205    HB   THR  28           HB       THR  28   6.825   5.653  13.872
  206    HG1  THR  28           HG1      THR  28   8.672   4.640  12.825
  207   1HG2  THR  28          1HG2      THR  28   5.613   3.499  13.939
  208   2HG2  THR  28          2HG2      THR  28   6.434   2.962  12.463
  209   3HG2  THR  28          3HG2      THR  28   7.351   3.207  13.966
  210    H    ALA  29           H        ALA  29   4.540   7.528  13.306
  211    HA   ALA  29           HA       ALA  29   2.572   6.160  14.816
  212   1HB   ALA  29          1HB       ALA  29   3.349   8.435  15.283
  213   2HB   ALA  29          2HB       ALA  29   2.569   9.018  13.788
  214   3HB   ALA  29          3HB       ALA  29   1.579   8.369  15.118
  215    H    ASP  30           H        ASP  30   2.483   7.229  11.468
  216    HA   ASP  30           HA       ASP  30  -0.390   6.964  11.056
  217   1HB   ASP  30          1HB       ASP  30   1.248   8.468   9.793
  218   2HB   ASP  30          2HB       ASP  30   1.960   6.963   9.147
  219    H    TRP  31           H        TRP  31   2.493   4.897  10.983
  220    HA   TRP  31           HA       TRP  31   1.084   2.667   9.609
  221   1HB   TRP  31          1HB       TRP  31   3.946   3.343  10.155
  222   2HB   TRP  31          2HB       TRP  31   3.466   1.696   9.662
  223    HD1  TRP  31           HD1      TRP  31   3.360   5.342   8.479
  224    HE1  TRP  31           HE1      TRP  31   3.261   5.568   6.021
  225    HE3  TRP  31           HE3      TRP  31   3.352   0.354   7.272
  226    HZ2  TRP  31           HZ2      TRP  31   3.057   3.852   3.735
  227    HZ3  TRP  31           HZ3      TRP  31   3.112  -0.274   4.825
  228    HH2  TRP  31           HH2      TRP  31   2.907   1.450   3.130
  229    H    GLU  32           H        GLU  32   2.280   3.435  12.899
  230    HA   GLU  32           HA       GLU  32   2.202   0.919  14.074
  231   1HB   GLU  32          1HB       GLU  32   1.723   3.714  15.071
  232   2HB   GLU  32          2HB       GLU  32   1.121   2.388  16.072
  233   1HG   GLU  32          1HG       GLU  32   3.424   1.309  15.919
  234   2HG   GLU  32          2HG       GLU  32   3.983   2.853  15.249
  235    HA   PRO  33           HA       PRO  33  -2.470   1.014  14.977
  236   1HB   PRO  33          1HB       PRO  33  -4.172   2.718  13.665
  237   2HB   PRO  33          2HB       PRO  33  -3.269   3.182  15.135
  238   1HG   PRO  33          1HG       PRO  33  -2.461   3.706  12.255
  239   2HG   PRO  33          2HG       PRO  33  -2.576   4.893  13.588
  240   1HD   PRO  33          1HD       PRO  33  -0.248   3.780  12.935
  241   2HD   PRO  33          2HD       PRO  33  -0.654   3.997  14.662
  242    H    ARG  34           H        ARG  34  -0.891   0.779  12.003
  243    HA   ARG  34           HA       ARG  34  -3.071  -0.830  10.767
  244   1HB   ARG  34          1HB       ARG  34  -0.332  -0.130   9.673
  245   2HB   ARG  34          2HB       ARG  34  -1.689  -0.857   8.832
  246   1HG   ARG  34          1HG       ARG  34  -1.301   1.995   9.745
  247   2HG   ARG  34          2HG       ARG  34  -1.714   1.326   8.151
  248   1HD   ARG  34          1HD       ARG  34  -3.582   1.567  10.516
  249   2HD   ARG  34          2HD       ARG  34  -3.576   2.571   9.077
  250    HE   ARG  34           HE       ARG  34  -3.856   0.239   7.869
  251   1HH1  ARG  34          2HH1      ARG  34  -5.636   1.557  10.579
  252   2HH1  ARG  34          1HH1      ARG  34  -7.121   0.749  10.168
  253   1HH2  ARG  34          1HH2      ARG  34  -5.751  -0.845   7.369
  254   2HH2  ARG  34          2HH2      ARG  34  -7.170  -0.633   8.351
  255    H    LEU  35           H        LEU  35   0.328  -1.057  11.886
  256    HA   LEU  35           HA       LEU  35   0.420  -3.969  11.939
  257   1HB   LEU  35          1HB       LEU  35   2.109  -1.661  12.901
  258   2HB   LEU  35          2HB       LEU  35   2.455  -3.238  13.573
  259    HG   LEU  35           HG       LEU  35   2.116  -3.358  10.657
  260   1HD1  LEU  35          1HD1      LEU  35   3.156  -1.085  10.916
  261   2HD1  LEU  35          2HD1      LEU  35   4.510  -1.842  11.784
  262   3HD1  LEU  35          3HD1      LEU  35   4.184  -2.243  10.082
  263   1HD2  LEU  35          1HD2      LEU  35   4.372  -4.245  12.494
  264   2HD2  LEU  35          2HD2      LEU  35   2.914  -5.196  12.140
  265   3HD2  LEU  35          3HD2      LEU  35   4.043  -4.810  10.841
  266    H    ALA  36           H        ALA  36  -1.896  -2.742  13.391
  267    HA   ALA  36           HA       ALA  36  -1.413  -3.648  16.190
  268   1HB   ALA  36          1HB       ALA  36  -2.433  -1.438  15.912
  269   2HB   ALA  36          2HB       ALA  36  -3.737  -2.135  14.925
  270   3HB   ALA  36          3HB       ALA  36  -3.581  -2.579  16.641
  271    H    LYS  37           H        LYS  37  -3.281  -4.197  13.234
  272    HA   LYS  37           HA       LYS  37  -4.608  -6.613  14.311
  273   1HB   LYS  37          1HB       LYS  37  -4.710  -5.121  11.665
  274   2HB   LYS  37          2HB       LYS  37  -5.547  -6.655  11.929
  275   1HG   LYS  37          1HG       LYS  37  -5.964  -4.345  13.850
  276   2HG   LYS  37          2HG       LYS  37  -6.821  -4.361  12.314
  277   1HD   LYS  37          1HD       LYS  37  -6.884  -6.808  14.118
  278   2HD   LYS  37          2HD       LYS  37  -7.938  -5.425  14.444
  279   1HE   LYS  37          1HE       LYS  37  -8.956  -5.564  12.234
  280   2HE   LYS  37          2HE       LYS  37  -7.837  -6.841  11.732
  281   1HZ   LYS  37          1HZ       LYS  37  -8.795  -8.284  13.371
  282   2HZ   LYS  37          2HZ       LYS  37  -9.794  -7.102  13.926
  283   3HZ   LYS  37          3HZ       LYS  37  -9.993  -7.702  12.409
  284    H    GLY  38           H        GLY  38  -2.222  -5.751  11.771
  285   1HA   GLY  38          1HA       GLY  38  -0.325  -7.675  12.007
  286   2HA   GLY  38          2HA       GLY  38  -1.614  -8.563  11.182
  287    H    VAL  39           H        VAL  39  -0.636  -8.745   9.155
  288    HA   VAL  39           HA       VAL  39   0.056  -6.219   7.671
  289    HB   VAL  39           HB       VAL  39   1.371  -8.949   7.370
  290   1HG1  VAL  39          1HG1      VAL  39   1.547  -7.429   5.415
  291   2HG1  VAL  39          2HG1      VAL  39   2.177  -6.145   6.472
  292   3HG1  VAL  39          3HG1      VAL  39   3.113  -7.630   6.215
  293   1HG2  VAL  39          1HG2      VAL  39   2.264  -6.572   9.054
  294   2HG2  VAL  39          2HG2      VAL  39   1.924  -8.223   9.621
  295   3HG2  VAL  39          3HG2      VAL  39   3.316  -7.924   8.583
  296    H    ASP  40           H        ASP  40  -0.779  -9.675   7.098
  297    HA   ASP  40           HA       ASP  40  -1.619  -9.432   4.495
  298   1HB   ASP  40          1HB       ASP  40  -2.764 -11.387   6.513
  299   2HB   ASP  40          2HB       ASP  40  -2.445 -11.636   4.788
  300    H    ASN  41           H        ASN  41  -3.260  -8.143   7.187
  301    HA   ASN  41           HA       ASN  41  -5.976  -8.226   6.213
  302   1HB   ASN  41          1HB       ASN  41  -4.946  -6.048   8.049
  303   2HB   ASN  41          2HB       ASN  41  -6.467  -6.899   8.181
  304   1HD2  ASN  41          1HD2      ASN  41  -3.586  -6.413   9.645
  305   2HD2  ASN  41          2HD2      ASN  41  -3.536  -7.887  10.590
  306    H    LEU  42           H        LEU  42  -3.257  -6.317   5.374
  307    HA   LEU  42           HA       LEU  42  -4.923  -3.980   4.550
  308   1HB   LEU  42          1HB       LEU  42  -1.972  -4.444   4.961
  309   2HB   LEU  42          2HB       LEU  42  -2.682  -2.912   4.447
  310    HG   LEU  42           HG       LEU  42  -4.200  -3.768   6.739
  311   1HD1  LEU  42          1HD1      LEU  42  -2.436  -5.270   7.432
  312   2HD1  LEU  42          2HD1      LEU  42  -1.210  -4.000   7.237
  313   3HD1  LEU  42          3HD1      LEU  42  -2.448  -3.863   8.496
  314   1HD2  LEU  42          1HD2      LEU  42  -2.103  -1.600   6.533
  315   2HD2  LEU  42          2HD2      LEU  42  -3.832  -1.459   6.110
  316   3HD2  LEU  42          3HD2      LEU  42  -3.367  -1.789   7.781
  317    H    VAL  43           H        VAL  43  -2.518  -6.276   3.224
  318    HA   VAL  43           HA       VAL  43  -2.669  -5.445   0.532
  319    HB   VAL  43           HB       VAL  43  -1.103  -7.128   1.707
  320   1HG1  VAL  43          1HG1      VAL  43  -2.873  -8.768   2.342
  321   2HG1  VAL  43          2HG1      VAL  43  -3.116  -9.137   0.619
  322   3HG1  VAL  43          3HG1      VAL  43  -1.559  -9.474   1.391
  323   1HG2  VAL  43          1HG2      VAL  43  -2.013  -7.631  -1.151
  324   2HG2  VAL  43          2HG2      VAL  43  -0.805  -6.442  -0.621
  325   3HG2  VAL  43          3HG2      VAL  43  -0.482  -8.166  -0.435
  326    H    LYS  44           H        LYS  44  -4.934  -7.492   2.437
  327    HA   LYS  44           HA       LYS  44  -6.617  -8.085   0.205
  328   1HB   LYS  44          1HB       LYS  44  -8.410  -8.490   1.814
  329   2HB   LYS  44          2HB       LYS  44  -6.931  -9.427   2.066
  330   1HG   LYS  44          1HG       LYS  44  -6.330  -8.318   3.956
  331   2HG   LYS  44          2HG       LYS  44  -7.196  -6.834   3.553
  332   1HD   LYS  44          1HD       LYS  44  -8.751  -9.360   4.080
  333   2HD   LYS  44          2HD       LYS  44  -8.091  -8.442   5.448
  334   1HE   LYS  44          1HE       LYS  44  -9.176  -6.436   4.881
  335   2HE   LYS  44          2HE       LYS  44  -9.630  -7.002   3.266
  336   1HZ   LYS  44          1HZ       LYS  44 -11.117  -8.596   4.275
  337   2HZ   LYS  44          2HZ       LYS  44 -10.724  -8.079   5.786
  338   3HZ   LYS  44          3HZ       LYS  44 -11.515  -7.074   4.750
  339    H    SER  45           H        SER  45  -6.570  -5.157   2.314
  340    HA   SER  45           HA       SER  45  -9.109  -4.175   1.321
  341   1HB   SER  45          1HB       SER  45  -6.824  -2.699   2.655
  342   2HB   SER  45          2HB       SER  45  -8.502  -2.135   2.483
  343    HG   SER  45           HG       SER  45  -7.997  -3.216   4.557
  344    H    VAL  46           H        VAL  46  -5.700  -3.951   0.421
  345    HA   VAL  46           HA       VAL  46  -5.922  -1.946  -1.565
  346    HB   VAL  46           HB       VAL  46  -4.013  -4.199  -0.993
  347   1HG1  VAL  46          1HG1      VAL  46  -3.841  -3.935  -3.386
  348   2HG1  VAL  46          2HG1      VAL  46  -3.760  -2.161  -3.210
  349   3HG1  VAL  46          3HG1      VAL  46  -2.440  -3.187  -2.592
  350   1HG2  VAL  46          1HG2      VAL  46  -3.567  -1.235  -0.925
  351   2HG2  VAL  46          2HG2      VAL  46  -4.111  -2.156   0.497
  352   3HG2  VAL  46          3HG2      VAL  46  -2.537  -2.506  -0.242
  353    H    LYS  47           H        LYS  47  -5.960  -5.541  -1.887
  354    HA   LYS  47           HA       LYS  47  -6.613  -5.486  -4.636
  355   1HB   LYS  47          1HB       LYS  47  -6.602  -7.718  -4.591
  356   2HB   LYS  47          2HB       LYS  47  -5.768  -7.299  -3.087
  357   1HG   LYS  47          1HG       LYS  47  -8.251  -7.551  -2.084
  358   2HG   LYS  47          2HG       LYS  47  -8.507  -8.549  -3.505
  359   1HD   LYS  47          1HD       LYS  47  -6.061  -8.871  -1.734
  360   2HD   LYS  47          2HD       LYS  47  -7.619  -9.553  -1.222
  361   1HE   LYS  47          1HE       LYS  47  -7.703 -11.082  -3.019
  362   2HE   LYS  47          2HE       LYS  47  -6.460 -10.233  -3.948
  363   1HZ   LYS  47          1HZ       LYS  47  -4.798 -10.959  -2.395
  364   2HZ   LYS  47          2HZ       LYS  47  -5.917 -11.607  -1.384
  365   3HZ   LYS  47          3HZ       LYS  47  -5.643 -12.274  -2.857
  366    H    THR  48           H        THR  48  -8.709  -5.293  -1.860
  367    HA   THR  48           HA       THR  48 -11.211  -5.501  -3.261
  368    HB   THR  48           HB       THR  48 -10.401  -4.262  -0.615
  369    HG1  THR  48           HG1      THR  48 -11.594  -6.170   0.059
  370   1HG2  THR  48          1HG2      THR  48 -12.456  -3.099  -1.185
  371   2HG2  THR  48          2HG2      THR  48 -13.220  -4.626  -1.691
  372   3HG2  THR  48          3HG2      THR  48 -12.811  -4.341   0.014
  373    H    GLY  49           H        GLY  49  -8.972  -2.745  -2.976
  374   1HA   GLY  49          1HA       GLY  49  -9.152  -0.645  -3.958
  375   2HA   GLY  49          2HA       GLY  49 -10.667  -1.130  -4.737
  376    H    LEU  50           H        LEU  50  -9.267   0.338  -1.902
  377    HA   LEU  50           HA       LEU  50 -11.685   0.835  -0.462
  378   1HB   LEU  50          1HB       LEU  50  -9.169   1.076   0.158
  379   2HB   LEU  50          2HB       LEU  50  -9.301   2.704  -0.474
  380    HG   LEU  50           HG       LEU  50 -11.494   2.194   1.389
  381   1HD1  LEU  50          1HD1      LEU  50 -10.005   0.470   2.322
  382   2HD1  LEU  50          2HD1      LEU  50  -8.692   1.661   2.457
  383   3HD1  LEU  50          3HD1      LEU  50 -10.167   1.846   3.429
  384   1HD2  LEU  50          1HD2      LEU  50  -9.029   3.992   1.515
  385   2HD2  LEU  50          2HD2      LEU  50 -10.586   4.439   0.791
  386   3HD2  LEU  50          3HD2      LEU  50 -10.470   4.148   2.540
  387    H    ASN  51           H        ASN  51 -12.503   3.113  -0.143
  388    HA   ASN  51           HA       ASN  51 -13.994   3.781  -2.327
  389   1HB   ASN  51          1HB       ASN  51 -13.310   5.880  -0.202
  390   2HB   ASN  51          2HB       ASN  51 -14.792   5.724  -1.132
  391   1HD2  ASN  51          1HD2      ASN  51 -12.820   4.544   1.524
  392   2HD2  ASN  51          2HD2      ASN  51 -13.790   3.140   1.898
  393    H    ALA  52           H        ALA  52 -11.421   5.830  -1.112
  394    HA   ALA  52           HA       ALA  52 -11.047   7.300  -3.641
  395   1HB   ALA  52          1HB       ALA  52 -10.970   8.490  -1.523
  396   2HB   ALA  52          2HB       ALA  52  -9.721   7.392  -0.915
  397   3HB   ALA  52          3HB       ALA  52  -9.350   8.520  -2.243
  398    H    MET  53           H        MET  53 -10.308   4.219  -3.141
  399    HA   MET  53           HA       MET  53  -7.563   4.489  -4.304
  400   1HB   MET  53          1HB       MET  53  -7.925   3.792  -1.877
  401   2HB   MET  53          2HB       MET  53  -8.435   2.219  -2.530
  402   1HG   MET  53          1HG       MET  53  -6.209   1.870  -3.469
  403   2HG   MET  53          2HG       MET  53  -5.828   3.574  -3.203
  404   1HE   MET  53          1HE       MET  53  -6.650   0.176  -1.346
  405   2HE   MET  53          2HE       MET  53  -5.016   0.272  -2.050
  406   3HE   MET  53          3HE       MET  53  -5.234   0.197  -0.285
  407    HA   PRO  54           HA       PRO  54  -9.234   2.096  -7.613
  408   1HB   PRO  54          1HB       PRO  54  -6.923   1.377  -8.973
  409   2HB   PRO  54          2HB       PRO  54  -7.721   2.968  -9.056
  410   1HG   PRO  54          1HG       PRO  54  -5.373   2.194  -7.312
  411   2HG   PRO  54          2HG       PRO  54  -5.577   3.663  -8.299
  412   1HD   PRO  54          1HD       PRO  54  -6.020   3.548  -5.621
  413   2HD   PRO  54          2HD       PRO  54  -7.028   4.593  -6.671
  414    HA   PRO  55           HA       PRO  55  -9.181  -2.068  -6.005
  415   1HB   PRO  55          1HB       PRO  55 -10.148  -3.503  -8.108
  416   2HB   PRO  55          2HB       PRO  55 -11.162  -2.340  -7.205
  417   1HG   PRO  55          1HG       PRO  55  -9.652  -1.841  -9.790
  418   2HG   PRO  55          2HG       PRO  55 -11.379  -1.513  -9.460
  419   1HD   PRO  55          1HD       PRO  55  -9.517   0.431  -9.247
  420   2HD   PRO  55          2HD       PRO  55 -10.836   0.326  -8.039
  421    H    GLY  56           H        GLY  56  -7.547  -3.560  -5.689
  422   1HA   GLY  56          1HA       GLY  56  -5.642  -4.773  -6.290
  423   2HA   GLY  56          2HA       GLY  56  -5.837  -4.274  -7.932
  424    H    GLY  57           H        GLY  57  -5.970  -1.544  -5.800
  425   1HA   GLY  57          1HA       GLY  57  -4.465   0.130  -5.319
  426   2HA   GLY  57          2HA       GLY  57  -3.245  -1.137  -5.166
  427    H    MET  58           H        MET  58  -5.194   0.048  -7.860
  428    HA   MET  58           HA       MET  58  -4.747   1.162  -9.787
  429   1HB   MET  58          1HB       MET  58  -2.792   2.288  -8.474
  430   2HB   MET  58          2HB       MET  58  -1.773   1.120  -9.342
  431   1HG   MET  58          1HG       MET  58  -3.238   2.054 -11.427
  432   2HG   MET  58          2HG       MET  58  -3.270   3.473 -10.376
  433   1HE   MET  58          1HE       MET  58  -2.229   3.384 -13.323
  434   2HE   MET  58          2HE       MET  58  -2.184   4.857 -12.318
  435   3HE   MET  58          3HE       MET  58  -0.728   4.335 -13.202
  436    H    CYS  59           H        CYS  59  -2.433  -1.424  -9.024
  437    HA   CYS  59           HA       CYS  59  -2.362  -2.399 -11.812
  438   1HB   CYS  59          1HB       CYS  59  -0.369  -2.734 -10.888
  439   2HB   CYS  59          2HB       CYS  59  -0.970  -2.973  -9.236
  440    H    THR  60           H        THR  60  -2.902  -4.631 -12.313
  441    HA   THR  60           HA       THR  60  -5.306  -5.680 -10.838
  442    HB   THR  60           HB       THR  60  -4.708  -5.808 -13.820
  443    HG1  THR  60           HG1      THR  60  -6.697  -4.587 -13.823
  444   1HG2  THR  60          1HG2      THR  60  -5.851  -7.873 -13.098
  445   2HG2  THR  60          2HG2      THR  60  -7.028  -6.913 -12.171
  446   3HG2  THR  60          3HG2      THR  60  -6.993  -6.819 -13.944
  447    H    ASP  61           H        ASP  61  -2.628  -6.719 -13.028
  448    HA   ASP  61           HA       ASP  61  -2.754  -9.434 -11.979
  449   1HB   ASP  61          1HB       ASP  61  -2.482  -8.726 -14.427
  450   2HB   ASP  61          2HB       ASP  61  -0.802  -8.325 -14.023
  451    H    CYS  62           H        CYS  62  -2.352  -8.387  -9.875
  452    HA   CYS  62           HA       CYS  62   0.554  -8.035  -9.169
  453   1HB   CYS  62          1HB       CYS  62  -1.549  -7.437  -7.182
  454   2HB   CYS  62          2HB       CYS  62  -0.073  -6.559  -7.580
  455    H    THR  63           H        THR  63   1.620  -9.721  -8.318
  456    HA   THR  63           HA       THR  63   0.271 -12.111  -7.340
  457    HB   THR  63           HB       THR  63   2.802 -12.736  -7.226
  458    HG1  THR  63           HG1      THR  63   4.202 -11.109  -7.936
  459   1HG2  THR  63          1HG2      THR  63   1.381 -13.279  -9.240
  460   2HG2  THR  63          2HG2      THR  63   1.772 -11.683  -9.913
  461   3HG2  THR  63          3HG2      THR  63   3.058 -12.876  -9.675
  462    H    ASP  64           H        ASP  64  -0.006 -12.487  -5.086
  463    HA   ASP  64           HA       ASP  64   0.427 -10.715  -3.082
  464   1HB   ASP  64          1HB       ASP  64   0.199 -13.688  -3.250
  465   2HB   ASP  64          2HB       ASP  64   0.582 -12.935  -1.709
  466    H    GLU  65           H        GLU  65   2.939 -12.943  -4.317
  467    HA   GLU  65           HA       GLU  65   5.050 -12.366  -2.557
  468   1HB   GLU  65          1HB       GLU  65   4.978 -12.819  -5.568
  469   2HB   GLU  65          2HB       GLU  65   6.483 -12.725  -4.654
  470   1HG   GLU  65          1HG       GLU  65   4.340 -14.710  -3.794
  471   2HG   GLU  65          2HG       GLU  65   5.435 -15.064  -5.131
  472    H    ASP  66           H        ASP  66   4.234 -10.433  -5.585
  473    HA   ASP  66           HA       ASP  66   6.313  -8.514  -4.912
  474   1HB   ASP  66          1HB       ASP  66   4.220  -8.650  -7.102
  475   2HB   ASP  66          2HB       ASP  66   5.525  -7.455  -6.990
  476    H    TYR  67           H        TYR  67   2.868  -8.961  -4.359
  477    HA   TYR  67           HA       TYR  67   2.187  -6.293  -3.747
  478   1HB   TYR  67          1HB       TYR  67   0.921  -8.762  -3.998
  479   2HB   TYR  67          2HB       TYR  67   0.734  -8.483  -2.289
  480    HD1  TYR  67           HD1      TYR  67  -1.448  -9.032  -4.022
  481    HD2  TYR  67           HD2      TYR  67   0.408  -5.207  -3.218
  482    HE1  TYR  67           HE1      TYR  67  -3.357  -7.859  -5.076
  483    HE2  TYR  67           HE2      TYR  67  -1.353  -4.097  -4.548
  484    HH   TYR  67           HH       TYR  67  -3.050  -4.567  -6.133
  485    H    LYS  68           H        LYS  68   3.028  -9.057  -1.619
  486    HA   LYS  68           HA       LYS  68   2.954  -7.525   0.807
  487   1HB   LYS  68          1HB       LYS  68   3.876  -9.383   1.956
  488   2HB   LYS  68          2HB       LYS  68   2.640  -9.923   0.839
  489   1HG   LYS  68          1HG       LYS  68   4.017 -11.473   0.094
  490   2HG   LYS  68          2HG       LYS  68   5.012 -10.248  -0.627
  491   1HD   LYS  68          1HD       LYS  68   5.348 -11.495   2.135
  492   2HD   LYS  68          2HD       LYS  68   6.330 -11.784   0.690
  493   1HE   LYS  68          1HE       LYS  68   6.928  -9.285   0.746
  494   2HE   LYS  68          2HE       LYS  68   6.190  -9.219   2.361
  495   1HZ   LYS  68          1HZ       LYS  68   7.906 -10.833   3.016
  496   2HZ   LYS  68          2HZ       LYS  68   8.533 -10.785   1.490
  497   3HZ   LYS  68          3HZ       LYS  68   8.555  -9.434   2.421
  498    H    ALA  69           H        ALA  69   5.575  -8.461  -1.484
  499    HA   ALA  69           HA       ALA  69   7.721  -7.162  -0.157
  500   1HB   ALA  69          1HB       ALA  69   8.047  -8.668  -2.002
  501   2HB   ALA  69          2HB       ALA  69   7.129  -7.588  -3.067
  502   3HB   ALA  69          3HB       ALA  69   8.706  -7.069  -2.421
  503    H    ALA  70           H        ALA  70   4.917  -5.752  -1.815
  504    HA   ALA  70           HA       ALA  70   6.275  -3.100  -2.031
  505   1HB   ALA  70          1HB       ALA  70   4.836  -3.832  -3.847
  506   2HB   ALA  70          2HB       ALA  70   3.441  -3.917  -2.751
  507   3HB   ALA  70          3HB       ALA  70   4.227  -2.362  -3.071
  508    H    ILE  71           H        ILE  71   3.623  -4.666  -0.307
  509    HA   ILE  71           HA       ILE  71   2.873  -2.500   1.380
  510    HB   ILE  71           HB       ILE  71   1.917  -5.066   0.827
  511   1HG1  ILE  71          1HG1      ILE  71   0.212  -4.614   2.612
  512   2HG1  ILE  71          2HG1      ILE  71   1.173  -3.168   2.987
  513   1HG2  ILE  71          1HG2      ILE  71   3.471  -6.070   2.600
  514   2HG2  ILE  71          2HG2      ILE  71   2.599  -5.103   3.799
  515   3HG2  ILE  71          3HG2      ILE  71   1.752  -6.340   2.860
  516   1HD1  ILE  71          1HD1      ILE  71   0.823  -2.404   0.633
  517   2HD1  ILE  71          2HD1      ILE  71  -0.193  -3.831   0.339
  518   3HD1  ILE  71          3HD1      ILE  71  -0.701  -2.599   1.518
  519    H    GLU  72           H        GLU  72   5.404  -4.828   1.690
  520    HA   GLU  72           HA       GLU  72   6.207  -3.811   4.335
  521   1HB   GLU  72          1HB       GLU  72   7.861  -5.499   4.415
  522   2HB   GLU  72          2HB       GLU  72   6.308  -6.192   3.936
  523   1HG   GLU  72          1HG       GLU  72   7.190  -7.067   2.100
  524   2HG   GLU  72          2HG       GLU  72   7.782  -5.495   1.534
  525    H    PHE  73           H        PHE  73   7.139  -3.165   1.004
  526    HA   PHE  73           HA       PHE  73   9.710  -2.157   1.409
  527   1HB   PHE  73          1HB       PHE  73   8.401  -2.422  -0.757
  528   2HB   PHE  73          2HB       PHE  73   7.635  -0.882  -0.423
  529    HD1  PHE  73           HD1      PHE  73   9.272   1.170  -0.036
  530    HD2  PHE  73           HD2      PHE  73  10.449  -2.558  -1.871
  531    HE1  PHE  73           HE1      PHE  73  11.279   2.265  -0.986
  532    HE2  PHE  73           HE2      PHE  73  12.443  -1.438  -2.837
  533    HZ   PHE  73           HZ       PHE  73  12.835   0.975  -2.430
  534    H    MET  74           H        MET  74   6.628  -0.338   1.668
  535    HA   MET  74           HA       MET  74   7.815   2.109   2.551
  536   1HB   MET  74          1HB       MET  74   5.065   0.908   2.821
  537   2HB   MET  74          2HB       MET  74   5.452   2.558   3.400
  538   1HG   MET  74          1HG       MET  74   4.549   2.937   1.249
  539   2HG   MET  74          2HG       MET  74   6.290   2.933   0.939
  540   1HE   MET  74          1HE       MET  74   3.427   0.109   1.241
  541   2HE   MET  74          2HE       MET  74   2.793   1.435   0.240
  542   3HE   MET  74          3HE       MET  74   3.165  -0.135  -0.491
  543    H    SER  75           H        SER  75   6.772  -0.755   4.320
  544    HA   SER  75           HA       SER  75   8.425  -0.194   6.469
  545   1HB   SER  75          1HB       SER  75   6.377   1.473   6.950
  546   2HB   SER  75          2HB       SER  75   5.634   0.036   7.621
  547    HG   SER  75           HG       SER  75   7.988   1.348   8.389
  548    H    LYS  76           H        LYS  76   5.149  -1.629   6.500
  549    HA   LYS  76           HA       LYS  76   5.429  -4.308   6.206
  550   1HB   LYS  76          1HB       LYS  76   5.713  -5.112   8.491
  551   2HB   LYS  76          2HB       LYS  76   7.166  -4.610   7.693
  552   1HG   LYS  76          1HG       LYS  76   6.315  -2.323   9.213
  553   2HG   LYS  76          2HG       LYS  76   5.935  -3.722  10.198
  554   1HD   LYS  76          1HD       LYS  76   8.045  -3.692  10.944
  555   2HD   LYS  76          2HD       LYS  76   8.494  -4.367   9.395
  556   1HE   LYS  76          1HE       LYS  76   9.841  -2.586   9.086
  557   2HE   LYS  76          2HE       LYS  76   8.400  -1.614   8.837
  558   1HZ   LYS  76          1HZ       LYS  76   8.324  -1.142  11.167
  559   2HZ   LYS  76          2HZ       LYS  76   9.745  -1.954  11.399
  560   3HZ   LYS  76          3HZ       LYS  76   9.701  -0.607  10.453
  561    H    ALA  77           H        ALA  77   3.402  -2.496   5.718
  562    HA   ALA  77           HA       ALA  77   1.253  -3.735   7.148
  563   1HB   ALA  77          1HB       ALA  77   2.023  -2.122   8.905
  564   2HB   ALA  77          2HB       ALA  77   1.544  -0.799   7.863
  565   3HB   ALA  77          3HB       ALA  77   0.335  -1.978   8.413
  566    H    LYS  78           H        LYS  78   1.287  -0.400   5.936
  567    HA   LYS  78           HA       LYS  78  -0.943  -1.123   4.146
  568   1HB   LYS  78          1HB       LYS  78  -1.639   1.154   4.228
  569   2HB   LYS  78          2HB       LYS  78  -1.270   0.669   5.890
  570   1HG   LYS  78          1HG       LYS  78   0.902   1.813   5.692
  571   2HG   LYS  78          2HG       LYS  78   0.552   2.225   4.001
  572   1HD   LYS  78          1HD       LYS  78   0.147   4.174   5.080
  573   2HD   LYS  78          2HD       LYS  78  -1.453   3.455   4.790
  574   1HE   LYS  78          1HE       LYS  78  -1.901   3.284   7.043
  575   2HE   LYS  78          2HE       LYS  78  -0.263   2.633   7.357
  576   1HZ   LYS  78          1HZ       LYS  78   0.579   4.885   7.278
  577   2HZ   LYS  78          2HZ       LYS  78  -0.948   5.498   7.324
  578   3HZ   LYS  78          3HZ       LYS  78  -0.475   4.577   8.496
  579    HHA  HEC  90           HHA      HEC  90  -6.046   3.891   3.313
  580    HHB  HEC  90           HHB      HEC  90  -1.628  -0.190   0.924
  581    HHC  HEC  90           HHC      HEC  90  -1.854   2.970  -4.695
  582    HHD  HEC  90           HHD      HEC  90  -5.516   7.511  -1.940
  583   1HMA  HEC  90          1HMA      HEC  90  -4.240  -1.333   3.011
  584   2HMA  HEC  90          2HMA      HEC  90  -2.522  -1.136   2.627
  585   3HMA  HEC  90          3HMA      HEC  90  -3.146  -0.581   4.190
  586   1HAA  HEC  90          1HAA      HEC  90  -5.301   0.504   4.821
  587   2HAA  HEC  90          2HAA      HEC  90  -6.167   1.984   4.465
  588   1HBA  HEC  90          1HBA      HEC  90  -3.809   3.125   4.963
  589   2HBA  HEC  90          2HBA      HEC  90  -3.511   1.627   5.859
  590   1HMB  HEC  90          1HMB      HEC  90  -0.431  -1.576  -1.195
  591   2HMB  HEC  90          2HMB      HEC  90   0.927  -0.622  -1.799
  592   3HMB  HEC  90          3HMB      HEC  90   0.383  -0.364  -0.172
  593    HAB  HEC  90           HAB      HEC  90  -0.453   1.421  -4.897
  594   1HBB  HEC  90          1HBB      HEC  90  -1.182  -1.013  -4.588
  595   2HBB  HEC  90          2HBB      HEC  90   0.301  -0.707  -5.503
  596   3HBB  HEC  90          3HBB      HEC  90   0.389  -1.282  -3.835
  597   1HMC  HEC  90          1HMC      HEC  90  -3.803   5.220  -6.654
  598   2HMC  HEC  90          2HMC      HEC  90  -2.325   6.104  -6.190
  599   3HMC  HEC  90          3HMC      HEC  90  -2.360   4.345  -6.228
  600    HAC  HEC  90           HAC      HEC  90  -5.706   7.692  -4.052
  601   1HBC  HEC  90          1HBC      HEC  90  -5.661   6.550  -6.246
  602   2HBC  HEC  90          2HBC      HEC  90  -5.680   8.330  -6.262
  603   3HBC  HEC  90          3HBC      HEC  90  -4.165   7.488  -6.598
  604   1HMD  HEC  90          1HMD      HEC  90  -7.824   8.100  -0.077
  605   2HMD  HEC  90          2HMD      HEC  90  -6.963   8.716   1.341
  606   3HMD  HEC  90          3HMD      HEC  90  -6.239   8.853  -0.258
  607   1HAD  HEC  90          1HAD      HEC  90  -7.887   5.358   3.054
  608   2HAD  HEC  90          2HAD      HEC  90  -8.164   6.968   2.425
  609   1HBD  HEC  90          1HBD      HEC  90  -6.268   7.823   3.818
  610   2HBD  HEC  90          2HBD      HEC  90  -6.091   6.200   4.519
  Start of MODEL   10
    1   1H    ALA  -3          1H        ALA  -3   1.155  -6.509 -16.886
    2   2H    ALA  -3          2H        ALA  -3  -0.146  -5.491 -16.757
    3   3H    ALA  -3          3H        ALA  -3   1.338  -4.936 -17.268
    4    HA   ALA  -3           HA       ALA  -3   0.915  -4.275 -14.997
    5   1HB   ALA  -3          1HB       ALA  -3  -0.396  -6.339 -14.408
    6   2HB   ALA  -3          2HB       ALA  -3   1.108  -7.276 -14.464
    7   3HB   ALA  -3          3HB       ALA  -3   0.895  -5.985 -13.257
    8    H    ASP  -2           H        ASP  -2   2.797  -5.008 -13.211
    9    HA   ASP  -2           HA       ASP  -2   5.412  -5.315 -14.554
   10   1HB   ASP  -2          1HB       ASP  -2   5.901  -2.903 -13.844
   11   2HB   ASP  -2          2HB       ASP  -2   4.824  -3.118 -15.224
   12    H    LEU  -1           H        LEU  -1   4.129  -6.770 -12.544
   13    HA   LEU  -1           HA       LEU  -1   5.423  -6.332  -9.979
   14   1HB   LEU  -1          1HB       LEU  -1   4.553  -8.569  -9.437
   15   2HB   LEU  -1          2HB       LEU  -1   3.349  -7.374  -9.868
   16    HG   LEU  -1           HG       LEU  -1   2.767  -9.578 -10.573
   17   1HD1  LEU  -1          1HD1      LEU  -1   2.125  -7.530 -11.952
   18   2HD1  LEU  -1          2HD1      LEU  -1   3.251  -8.179 -13.193
   19   3HD1  LEU  -1          3HD1      LEU  -1   1.892  -9.144 -12.660
   20   1HD2  LEU  -1          1HD2      LEU  -1   5.120  -9.624 -12.484
   21   2HD2  LEU  -1          2HD2      LEU  -1   4.928 -10.614 -11.006
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.817 -10.816 -12.367
   23    H    GLN   1           H        GLN   1   7.362  -6.019 -11.634
   24    HA   GLN   1           HA       GLN   1   9.037  -8.474 -11.435
   25   1HB   GLN   1          1HB       GLN   1   8.685  -6.521 -13.504
   26   2HB   GLN   1          2HB       GLN   1  10.258  -6.149 -12.819
   27   1HG   GLN   1          1HG       GLN   1   9.414  -8.941 -13.730
   28   2HG   GLN   1          2HG       GLN   1  10.158  -7.753 -14.805
   29   1HE2  GLN   1          1HE2      GLN   1  11.068 -10.489 -13.585
   30   2HE2  GLN   1          2HE2      GLN   1  12.708 -10.075 -13.092
   31    H    ASP   2           H        ASP   2   8.446  -5.380 -10.094
   32    HA   ASP   2           HA       ASP   2  10.394  -5.901  -8.023
   33   1HB   ASP   2          1HB       ASP   2  11.758  -4.667  -9.700
   34   2HB   ASP   2          2HB       ASP   2  10.637  -3.302  -9.598
   35    H    ALA   3           H        ALA   3   9.248  -5.678  -6.282
   36    HA   ALA   3           HA       ALA   3   6.854  -4.406  -5.697
   37   1HB   ALA   3          1HB       ALA   3   7.944  -5.909  -4.243
   38   2HB   ALA   3          2HB       ALA   3   9.380  -4.873  -4.066
   39   3HB   ALA   3          3HB       ALA   3   7.836  -4.346  -3.384
   40    H    GLU   4           H        GLU   4  10.153  -2.929  -5.759
   41    HA   GLU   4           HA       GLU   4   9.353  -0.391  -4.684
   42   1HB   GLU   4          1HB       GLU   4  11.650  -1.030  -4.713
   43   2HB   GLU   4          2HB       GLU   4  11.701  -1.128  -6.472
   44   1HG   GLU   4          1HG       GLU   4  11.479   1.228  -6.743
   45   2HG   GLU   4          2HG       GLU   4  10.852   1.462  -5.113
   46    H    ALA   5           H        ALA   5   9.465  -1.758  -7.983
   47    HA   ALA   5           HA       ALA   5   8.726   0.741  -9.280
   48   1HB   ALA   5          1HB       ALA   5   9.976  -1.017 -10.460
   49   2HB   ALA   5          2HB       ALA   5   8.569  -2.104 -10.338
   50   3HB   ALA   5          3HB       ALA   5   8.452  -0.604 -11.275
   51    H    ILE   6           H        ILE   6   6.951  -2.108  -8.015
   52    HA   ILE   6           HA       ILE   6   4.401  -1.318  -9.068
   53    HB   ILE   6           HB       ILE   6   5.296  -2.984  -6.709
   54   1HG1  ILE   6          1HG1      ILE   6   5.562  -3.972  -8.944
   55   2HG1  ILE   6          2HG1      ILE   6   4.427  -4.859  -7.926
   56   1HG2  ILE   6          1HG2      ILE   6   3.254  -2.131  -5.832
   57   2HG2  ILE   6          2HG2      ILE   6   2.410  -2.308  -7.379
   58   3HG2  ILE   6          3HG2      ILE   6   2.897  -3.743  -6.446
   59   1HD1  ILE   6          1HD1      ILE   6   2.526  -3.666  -9.149
   60   2HD1  ILE   6          2HD1      ILE   6   3.748  -3.044 -10.270
   61   3HD1  ILE   6          3HD1      ILE   6   3.482  -4.781 -10.122
   62    H    TYR   7           H        TYR   7   5.869  -0.576  -5.784
   63    HA   TYR   7           HA       TYR   7   3.569   1.101  -5.310
   64   1HB   TYR   7          1HB       TYR   7   4.259   1.531  -3.222
   65   2HB   TYR   7          2HB       TYR   7   5.147   0.052  -3.515
   66    HD1  TYR   7           HD1      TYR   7   7.544   0.083  -3.392
   67    HD2  TYR   7           HD2      TYR   7   5.339   3.782  -3.372
   68    HE1  TYR   7           HE1      TYR   7   9.665   1.366  -3.213
   69    HE2  TYR   7           HE2      TYR   7   7.460   5.053  -3.213
   70    HH   TYR   7           HH       TYR   7   9.748   4.914  -3.394
   71    H    ASN   8           H        ASN   8   6.819   1.823  -6.487
   72    HA   ASN   8           HA       ASN   8   6.566   4.644  -6.503
   73   1HB   ASN   8          1HB       ASN   8   8.661   3.279  -6.451
   74   2HB   ASN   8          2HB       ASN   8   8.366   2.830  -8.146
   75   1HD2  ASN   8          1HD2      ASN   8  10.295   3.734  -8.883
   76   2HD2  ASN   8          2HD2      ASN   8  10.564   5.471  -8.850
   77    H    LYS   9           H        LYS   9   5.492   2.226  -8.840
   78    HA   LYS   9           HA       LYS   9   4.724   4.295 -10.801
   79   1HB   LYS   9          1HB       LYS   9   5.620   1.977 -11.351
   80   2HB   LYS   9          2HB       LYS   9   4.066   1.358 -10.772
   81   1HG   LYS   9          1HG       LYS   9   3.381   3.395 -12.618
   82   2HG   LYS   9          2HG       LYS   9   4.871   2.734 -13.278
   83   1HD   LYS   9          1HD       LYS   9   3.601   1.073 -14.217
   84   2HD   LYS   9          2HD       LYS   9   3.492   0.413 -12.605
   85   1HE   LYS   9          1HE       LYS   9   1.261   0.532 -13.338
   86   2HE   LYS   9          2HE       LYS   9   1.446   1.866 -12.188
   87   1HZ   LYS   9          1HZ       LYS   9   1.792   3.330 -14.103
   88   2HZ   LYS   9          2HZ       LYS   9   1.565   2.066 -15.134
   89   3HZ   LYS   9          3HZ       LYS   9   0.325   2.586 -14.181
   90    H    ALA  10           H        ALA  10   3.203   2.488  -8.154
   91    HA   ALA  10           HA       ALA  10   0.463   3.269  -9.121
   92   1HB   ALA  10          1HB       ALA  10   0.926   0.840  -9.024
   93   2HB   ALA  10          2HB       ALA  10   1.202   0.979  -7.272
   94   3HB   ALA  10          3HB       ALA  10  -0.380   1.371  -7.947
   95    H    CYS  11           H        CYS  11   2.041   2.605  -5.937
   96    HA   CYS  11           HA       CYS  11   0.136   4.337  -4.545
   97   1HB   CYS  11          1HB       CYS  11   2.552   3.330  -3.171
   98   2HB   CYS  11          2HB       CYS  11   0.881   3.375  -2.624
   99    H    THR  12           H        THR  12   1.500   5.720  -6.525
  100    HA   THR  12           HA       THR  12   3.618   7.324  -5.169
  101    HB   THR  12           HB       THR  12   4.320   5.715  -6.967
  102    HG1  THR  12           HG1      THR  12   4.630   8.455  -7.508
  103   1HG2  THR  12          1HG2      THR  12   2.331   6.024  -8.490
  104   2HG2  THR  12          2HG2      THR  12   2.859   7.687  -8.817
  105   3HG2  THR  12          3HG2      THR  12   3.858   6.338  -9.321
  106    H    VAL  13           H        VAL  13   0.542   7.584  -6.119
  107    HA   VAL  13           HA       VAL  13   0.776  10.284  -7.353
  108    HB   VAL  13           HB       VAL  13  -1.615   8.400  -7.240
  109   1HG1  VAL  13          1HG1      VAL  13  -2.047  10.787  -7.748
  110   2HG1  VAL  13          2HG1      VAL  13  -0.821  10.716  -9.038
  111   3HG1  VAL  13          3HG1      VAL  13  -2.323   9.765  -9.177
  112   1HG2  VAL  13          1HG2      VAL  13   0.543   8.594  -9.382
  113   2HG2  VAL  13          2HG2      VAL  13   0.128   7.157  -8.419
  114   3HG2  VAL  13          3HG2      VAL  13  -1.025   7.789  -9.590
  115    H    CYS  14           H        CYS  14  -1.010   8.421  -4.916
  116    HA   CYS  14           HA       CYS  14  -1.954  10.788  -3.459
  117   1HB   CYS  14          1HB       CYS  14  -2.265   7.807  -3.361
  118   2HB   CYS  14          2HB       CYS  14  -2.781   8.806  -2.005
  119    H    HIS  15           H        HIS  15  -0.146   7.857  -2.558
  120    HA   HIS  15           HA       HIS  15   0.307   8.806   0.078
  121   1HB   HIS  15          1HB       HIS  15   1.403   6.492  -1.565
  122   2HB   HIS  15          2HB       HIS  15   1.823   6.742   0.122
  123    HD1  HIS  15           HD1      HIS  15  -0.054   6.441   1.916
  124    HD2  HIS  15           HD2      HIS  15  -1.105   5.550  -2.043
  125    HE1  HIS  15           HE1      HIS  15  -1.998   4.704   2.021
  126    H    SER  16           H        SER  16   2.224   9.126  -2.764
  127    HA   SER  16           HA       SER  16   4.850   9.337  -1.772
  128   1HB   SER  16          1HB       SER  16   4.032   9.206  -4.168
  129   2HB   SER  16          2HB       SER  16   3.798  10.958  -4.121
  130    HG   SER  16           HG       SER  16   5.925  10.110  -4.848
  131    H    MET  17           H        MET  17   2.420  11.884  -2.316
  132    HA   MET  17           HA       MET  17   3.995  13.769  -0.619
  133   1HB   MET  17          1HB       MET  17   3.084  14.140  -3.184
  134   2HB   MET  17          2HB       MET  17   1.727  14.786  -2.251
  135   1HG   MET  17          1HG       MET  17   3.232  16.599  -2.646
  136   2HG   MET  17          2HG       MET  17   3.449  16.155  -0.947
  137   1HE   MET  17          1HE       MET  17   5.429  18.055  -2.295
  138   2HE   MET  17          2HE       MET  17   5.730  17.392  -0.664
  139   3HE   MET  17          3HE       MET  17   7.016  17.352  -1.895
  140    H    GLY  18           H        GLY  18   1.029  11.917  -0.715
  141   1HA   GLY  18          1HA       GLY  18  -0.391  11.583   1.112
  142   2HA   GLY  18          2HA       GLY  18   0.161  13.066   1.890
  143    H    VAL  19           H        VAL  19  -1.163  12.366  -1.372
  144    HA   VAL  19           HA       VAL  19  -3.066  14.626  -1.164
  145    HB   VAL  19           HB       VAL  19  -2.324  12.845  -3.516
  146   1HG1  VAL  19          1HG1      VAL  19  -4.555  13.681  -3.920
  147   2HG1  VAL  19          2HG1      VAL  19  -4.077  15.322  -3.405
  148   3HG1  VAL  19          3HG1      VAL  19  -3.418  14.607  -4.889
  149   1HG2  VAL  19          1HG2      VAL  19  -1.515  15.693  -2.833
  150   2HG2  VAL  19          2HG2      VAL  19  -0.456  14.265  -2.825
  151   3HG2  VAL  19          3HG2      VAL  19  -1.140  14.838  -4.345
  152    H    ALA  20           H        ALA  20  -5.286  14.230  -1.844
  153    HA   ALA  20           HA       ALA  20  -7.333  13.364  -1.365
  154   1HB   ALA  20          1HB       ALA  20  -6.661  11.787  -3.138
  155   2HB   ALA  20          2HB       ALA  20  -6.056  10.668  -1.899
  156   3HB   ALA  20          3HB       ALA  20  -7.781  11.066  -1.968
  157    H    GLY  21           H        GLY  21  -5.181  13.475   0.847
  158   1HA   GLY  21          1HA       GLY  21  -5.256  13.236   3.151
  159   2HA   GLY  21          2HA       GLY  21  -6.772  12.338   3.031
  160    H    ALA  22           H        ALA  22  -4.117  11.194   1.010
  161    HA   ALA  22           HA       ALA  22  -4.223   8.666   2.239
  162   1HB   ALA  22          1HB       ALA  22  -3.697   9.005  -0.100
  163   2HB   ALA  22          2HB       ALA  22  -2.190   9.844   0.302
  164   3HB   ALA  22          3HB       ALA  22  -2.370   8.111   0.650
  165    HA   PRO  23           HA       PRO  23  -1.271   8.951   5.613
  166   1HB   PRO  23          1HB       PRO  23  -0.541   6.365   5.906
  167   2HB   PRO  23          2HB       PRO  23  -2.232   6.905   6.205
  168   1HG   PRO  23          1HG       PRO  23  -1.096   5.743   3.707
  169   2HG   PRO  23          2HG       PRO  23  -2.504   5.156   4.636
  170   1HD   PRO  23          1HD       PRO  23  -2.988   6.805   2.553
  171   2HD   PRO  23          2HD       PRO  23  -3.819   7.078   4.104
  172    H    LYS  24           H        LYS  24   0.975   8.974   5.945
  173    HA   LYS  24           HA       LYS  24   2.314   9.732   3.515
  174   1HB   LYS  24          1HB       LYS  24   2.465  10.523   6.056
  175   2HB   LYS  24          2HB       LYS  24   3.882   9.474   6.080
  176   1HG   LYS  24          1HG       LYS  24   3.382  11.730   4.075
  177   2HG   LYS  24          2HG       LYS  24   4.136  11.978   5.650
  178   1HD   LYS  24          1HD       LYS  24   5.990  10.487   5.104
  179   2HD   LYS  24          2HD       LYS  24   5.279  10.153   3.504
  180   1HE   LYS  24          1HE       LYS  24   5.349  12.661   3.045
  181   2HE   LYS  24          2HE       LYS  24   6.245  12.855   4.560
  182   1HZ   LYS  24          1HZ       LYS  24   7.927  11.296   3.567
  183   2HZ   LYS  24          2HZ       LYS  24   7.087  11.366   2.158
  184   3HZ   LYS  24          3HZ       LYS  24   7.773  12.727   2.763
  185    H    SER  25           H        SER  25   3.832   8.692   2.269
  186    HA   SER  25           HA       SER  25   4.380   6.096   1.981
  187   1HB   SER  25          1HB       SER  25   6.411   8.360   1.824
  188   2HB   SER  25          2HB       SER  25   6.670   6.731   1.163
  189    HG   SER  25           HG       SER  25   5.810   8.130  -0.425
  190    H    HIS  26           H        HIS  26   5.783   7.992   4.585
  191    HA   HIS  26           HA       HIS  26   6.635   5.589   5.995
  192   1HB   HIS  26          1HB       HIS  26   8.830   6.888   6.616
  193   2HB   HIS  26          2HB       HIS  26   8.737   5.885   5.171
  194    HD1  HIS  26           HD1      HIS  26   9.352   6.969   2.949
  195    HD2  HIS  26           HD2      HIS  26   8.443   9.727   5.994
  196    HE1  HIS  26           HE1      HIS  26   9.685   9.303   1.955
  197    H    ASN  27           H        ASN  27   5.366   5.811   7.694
  198    HA   ASN  27           HA       ASN  27   5.575   8.198   9.407
  199   1HB   ASN  27          1HB       ASN  27   3.084   7.134   8.068
  200   2HB   ASN  27          2HB       ASN  27   2.988   7.328   9.820
  201   1HD2  ASN  27          1HD2      ASN  27   1.200   8.776   8.187
  202   2HD2  ASN  27          2HD2      ASN  27   1.715  10.445   8.328
  203    H    THR  28           H        THR  28   4.974   7.526  11.674
  204    HA   THR  28           HA       THR  28   5.344   4.546  12.081
  205    HB   THR  28           HB       THR  28   5.870   6.860  13.973
  206    HG1  THR  28           HG1      THR  28   8.001   5.437  13.365
  207   1HG2  THR  28          1HG2      THR  28   5.299   4.813  15.224
  208   2HG2  THR  28          2HG2      THR  28   6.412   3.861  14.218
  209   3HG2  THR  28          3HG2      THR  28   7.039   5.111  15.315
  210    H    ALA  29           H        ALA  29   3.321   7.352  13.063
  211    HA   ALA  29           HA       ALA  29   1.625   5.699  14.754
  212   1HB   ALA  29          1HB       ALA  29   2.108   8.039  15.235
  213   2HB   ALA  29          2HB       ALA  29   1.280   8.528  13.731
  214   3HB   ALA  29          3HB       ALA  29   0.364   7.745  15.043
  215    H    ASP  30           H        ASP  30   1.659   6.458  11.400
  216    HA   ASP  30           HA       ASP  30  -1.152   5.983  10.857
  217   1HB   ASP  30          1HB       ASP  30   0.802   7.523   9.832
  218   2HB   ASP  30          2HB       ASP  30   1.075   6.097   8.791
  219    H    TRP  31           H        TRP  31   1.877   4.269  10.907
  220    HA   TRP  31           HA       TRP  31   0.888   1.812   9.609
  221   1HB   TRP  31          1HB       TRP  31   3.622   2.702  10.541
  222   2HB   TRP  31          2HB       TRP  31   3.290   1.147   9.775
  223    HD1  TRP  31           HD1      TRP  31   3.066   4.945   9.041
  224    HE1  TRP  31           HE1      TRP  31   3.171   5.459   6.559
  225    HE3  TRP  31           HE3      TRP  31   3.423   0.137   7.258
  226    HZ2  TRP  31           HZ2      TRP  31   3.217   4.027   4.138
  227    HZ3  TRP  31           HZ3      TRP  31   3.451  -0.197   4.788
  228    HH2  TRP  31           HH2      TRP  31   3.125   1.681   3.277
  229    H    GLU  32           H        GLU  32   2.001   2.952  12.882
  230    HA   GLU  32           HA       GLU  32   2.022   0.614  14.304
  231   1HB   GLU  32          1HB       GLU  32   2.597   2.647  15.303
  232   2HB   GLU  32          2HB       GLU  32   1.022   3.380  15.014
  233   1HG   GLU  32          1HG       GLU  32   1.331   2.770  17.376
  234   2HG   GLU  32          2HG       GLU  32  -0.012   1.858  16.690
  235    HA   PRO  33           HA       PRO  33  -2.725   0.370  15.103
  236   1HB   PRO  33          1HB       PRO  33  -4.488   1.781  13.544
  237   2HB   PRO  33          2HB       PRO  33  -3.705   2.464  14.999
  238   1HG   PRO  33          1HG       PRO  33  -2.775   2.753  12.122
  239   2HG   PRO  33          2HG       PRO  33  -3.074   4.063  13.302
  240   1HD   PRO  33          1HD       PRO  33  -0.620   3.132  12.939
  241   2HD   PRO  33          2HD       PRO  33  -1.193   3.428  14.609
  242    H    ARG  34           H        ARG  34  -1.072   0.088  12.159
  243    HA   ARG  34           HA       ARG  34  -3.068  -1.704  10.881
  244   1HB   ARG  34          1HB       ARG  34  -0.430  -0.644   9.791
  245   2HB   ARG  34          2HB       ARG  34  -1.729  -1.381   8.889
  246   1HG   ARG  34          1HG       ARG  34  -2.047   1.273  10.391
  247   2HG   ARG  34          2HG       ARG  34  -1.499   1.172   8.745
  248   1HD   ARG  34          1HD       ARG  34  -3.523   0.243   7.966
  249   2HD   ARG  34          2HD       ARG  34  -4.086  -0.119   9.622
  250    HE   ARG  34           HE       ARG  34  -3.587   2.737   8.971
  251   1HH1  ARG  34          2HH1      ARG  34  -6.038   0.265   8.800
  252   2HH1  ARG  34          1HH1      ARG  34  -7.359   1.401   8.951
  253   1HH2  ARG  34          1HH2      ARG  34  -5.308   4.089   8.811
  254   2HH2  ARG  34          2HH2      ARG  34  -6.918   3.591   9.101
  255    H    LEU  35           H        LEU  35   0.364  -1.505  11.826
  256    HA   LEU  35           HA       LEU  35   1.004  -4.259  11.651
  257   1HB   LEU  35          1HB       LEU  35   2.297  -1.809  12.504
  258   2HB   LEU  35          2HB       LEU  35   2.572  -3.029  13.730
  259    HG   LEU  35           HG       LEU  35   3.223  -3.367  10.774
  260   1HD1  LEU  35          1HD1      LEU  35   4.668  -1.723  11.939
  261   2HD1  LEU  35          2HD1      LEU  35   5.041  -2.948  13.174
  262   3HD1  LEU  35          3HD1      LEU  35   5.548  -3.193  11.487
  263   1HD2  LEU  35          1HD2      LEU  35   3.780  -5.177  13.143
  264   2HD2  LEU  35          2HD2      LEU  35   2.749  -5.551  11.739
  265   3HD2  LEU  35          3HD2      LEU  35   4.486  -5.340  11.514
  266    H    ALA  36           H        ALA  36  -1.013  -2.692  13.906
  267    HA   ALA  36           HA       ALA  36  -0.412  -4.300  16.272
  268   1HB   ALA  36          1HB       ALA  36  -1.129  -1.951  16.488
  269   2HB   ALA  36          2HB       ALA  36  -2.629  -2.307  15.601
  270   3HB   ALA  36          3HB       ALA  36  -2.340  -3.037  17.196
  271    H    LYS  37           H        LYS  37  -2.542  -4.266  13.467
  272    HA   LYS  37           HA       LYS  37  -4.215  -6.400  14.556
  273   1HB   LYS  37          1HB       LYS  37  -4.245  -5.070  11.822
  274   2HB   LYS  37          2HB       LYS  37  -5.418  -6.270  12.412
  275   1HG   LYS  37          1HG       LYS  37  -5.926  -4.680  14.331
  276   2HG   LYS  37          2HG       LYS  37  -4.866  -3.492  13.546
  277   1HD   LYS  37          1HD       LYS  37  -6.376  -3.871  11.434
  278   2HD   LYS  37          2HD       LYS  37  -7.501  -4.636  12.573
  279   1HE   LYS  37          1HE       LYS  37  -6.924  -2.327  13.954
  280   2HE   LYS  37          2HE       LYS  37  -6.600  -1.754  12.318
  281   1HZ   LYS  37          1HZ       LYS  37  -8.881  -2.522  11.759
  282   2HZ   LYS  37          2HZ       LYS  37  -9.122  -2.915  13.338
  283   3HZ   LYS  37          3HZ       LYS  37  -8.872  -1.349  12.915
  284    H    GLY  38           H        GLY  38  -1.998  -5.864  11.796
  285   1HA   GLY  38          1HA       GLY  38  -0.322  -8.069  12.178
  286   2HA   GLY  38          2HA       GLY  38  -1.655  -8.675  11.183
  287    H    VAL  39           H        VAL  39  -1.090  -8.670   9.069
  288    HA   VAL  39           HA       VAL  39   0.202  -6.270   7.845
  289    HB   VAL  39           HB       VAL  39   1.258  -9.047   7.166
  290   1HG1  VAL  39          1HG1      VAL  39   1.708  -7.125   5.653
  291   2HG1  VAL  39          2HG1      VAL  39   2.453  -6.250   7.009
  292   3HG1  VAL  39          3HG1      VAL  39   3.196  -7.740   6.400
  293   1HG2  VAL  39          1HG2      VAL  39   2.411  -7.307   9.370
  294   2HG2  VAL  39          2HG2      VAL  39   1.736  -8.948   9.544
  295   3HG2  VAL  39          3HG2      VAL  39   3.209  -8.699   8.613
  296    H    ASP  40           H        ASP  40  -0.835  -9.591   7.061
  297    HA   ASP  40           HA       ASP  40  -1.601  -8.885   4.444
  298   1HB   ASP  40          1HB       ASP  40  -2.392 -11.368   5.962
  299   2HB   ASP  40          2HB       ASP  40  -2.072 -11.215   4.233
  300    H    ASN  41           H        ASN  41  -3.075  -7.478   6.752
  301    HA   ASN  41           HA       ASN  41  -5.925  -7.985   6.170
  302   1HB   ASN  41          1HB       ASN  41  -5.275  -5.854   8.093
  303   2HB   ASN  41          2HB       ASN  41  -6.346  -7.190   8.319
  304   1HD2  ASN  41          1HD2      ASN  41  -3.886  -5.793   9.750
  305   2HD2  ASN  41          2HD2      ASN  41  -3.215  -7.226  10.504
  306    H    LEU  42           H        LEU  42  -3.246  -5.857   5.516
  307    HA   LEU  42           HA       LEU  42  -5.031  -3.666   4.537
  308   1HB   LEU  42          1HB       LEU  42  -2.085  -3.846   5.258
  309   2HB   LEU  42          2HB       LEU  42  -2.766  -2.522   4.343
  310    HG   LEU  42           HG       LEU  42  -2.699  -1.739   6.541
  311   1HD1  LEU  42          1HD1      LEU  42  -4.943  -1.363   5.436
  312   2HD1  LEU  42          2HD1      LEU  42  -5.577  -2.701   6.415
  313   3HD1  LEU  42          3HD1      LEU  42  -4.942  -1.266   7.204
  314   1HD2  LEU  42          1HD2      LEU  42  -4.125  -4.151   7.629
  315   2HD2  LEU  42          2HD2      LEU  42  -2.361  -4.016   7.602
  316   3HD2  LEU  42          3HD2      LEU  42  -3.336  -2.858   8.527
  317    H    VAL  43           H        VAL  43  -2.419  -5.833   3.407
  318    HA   VAL  43           HA       VAL  43  -2.464  -5.076   0.698
  319    HB   VAL  43           HB       VAL  43  -0.981  -6.785   1.842
  320   1HG1  VAL  43          1HG1      VAL  43  -2.879  -8.240   2.658
  321   2HG1  VAL  43          2HG1      VAL  43  -3.099  -8.788   0.983
  322   3HG1  VAL  43          3HG1      VAL  43  -1.570  -9.097   1.817
  323   1HG2  VAL  43          1HG2      VAL  43  -2.077  -7.547  -0.905
  324   2HG2  VAL  43          2HG2      VAL  43  -0.851  -6.307  -0.612
  325   3HG2  VAL  43          3HG2      VAL  43  -0.497  -7.994  -0.243
  326    H    LYS  44           H        LYS  44  -4.839  -7.050   2.482
  327    HA   LYS  44           HA       LYS  44  -6.407  -7.604   0.197
  328   1HB   LYS  44          1HB       LYS  44  -8.296  -8.039   1.748
  329   2HB   LYS  44          2HB       LYS  44  -6.829  -8.989   2.021
  330   1HG   LYS  44          1HG       LYS  44  -6.249  -7.913   3.933
  331   2HG   LYS  44          2HG       LYS  44  -7.092  -6.411   3.512
  332   1HD   LYS  44          1HD       LYS  44  -8.684  -8.916   4.060
  333   2HD   LYS  44          2HD       LYS  44  -8.069  -7.935   5.406
  334   1HE   LYS  44          1HE       LYS  44  -9.126  -5.942   4.653
  335   2HE   LYS  44          2HE       LYS  44  -9.631  -6.672   3.122
  336   1HZ   LYS  44          1HZ       LYS  44 -11.058  -8.171   4.376
  337   2HZ   LYS  44          2HZ       LYS  44 -10.620  -7.461   5.792
  338   3HZ   LYS  44          3HZ       LYS  44 -11.463  -6.607   4.667
  339    H    SER  45           H        SER  45  -6.490  -4.699   2.272
  340    HA   SER  45           HA       SER  45  -8.958  -3.742   1.002
  341   1HB   SER  45          1HB       SER  45  -7.257  -2.890   3.210
  342   2HB   SER  45          2HB       SER  45  -7.805  -1.532   2.208
  343    HG   SER  45           HG       SER  45  -9.389  -1.962   3.740
  344    H    VAL  46           H        VAL  46  -5.515  -3.611   0.431
  345    HA   VAL  46           HA       VAL  46  -5.618  -1.609  -1.637
  346    HB   VAL  46           HB       VAL  46  -3.717  -3.703  -0.665
  347   1HG1  VAL  46          1HG1      VAL  46  -3.366  -3.949  -3.002
  348   2HG1  VAL  46          2HG1      VAL  46  -3.366  -2.183  -3.274
  349   3HG1  VAL  46          3HG1      VAL  46  -2.050  -2.955  -2.353
  350   1HG2  VAL  46          1HG2      VAL  46  -3.418  -0.805  -1.217
  351   2HG2  VAL  46          2HG2      VAL  46  -4.063  -1.470   0.324
  352   3HG2  VAL  46          3HG2      VAL  46  -2.399  -1.843  -0.170
  353    H    LYS  47           H        LYS  47  -5.596  -5.215  -1.825
  354    HA   LYS  47           HA       LYS  47  -6.069  -5.211  -4.596
  355   1HB   LYS  47          1HB       LYS  47  -6.060  -7.435  -4.516
  356   2HB   LYS  47          2HB       LYS  47  -5.390  -7.054  -2.938
  357   1HG   LYS  47          1HG       LYS  47  -8.113  -7.223  -2.361
  358   2HG   LYS  47          2HG       LYS  47  -8.009  -8.328  -3.724
  359   1HD   LYS  47          1HD       LYS  47  -5.895  -8.567  -1.619
  360   2HD   LYS  47          2HD       LYS  47  -7.573  -8.797  -1.066
  361   1HE   LYS  47          1HE       LYS  47  -7.951 -10.576  -2.702
  362   2HE   LYS  47          2HE       LYS  47  -6.295 -10.404  -3.315
  363   1HZ   LYS  47          1HZ       LYS  47  -5.468 -11.074  -1.170
  364   2HZ   LYS  47          2HZ       LYS  47  -6.987 -11.143  -0.536
  365   3HZ   LYS  47          3HZ       LYS  47  -6.526 -12.208  -1.698
  366    H    THR  48           H        THR  48  -8.357  -5.010  -1.929
  367    HA   THR  48           HA       THR  48 -10.735  -5.179  -3.583
  368    HB   THR  48           HB       THR  48 -10.309  -5.457  -0.927
  369    HG1  THR  48           HG1      THR  48 -12.629  -5.175  -0.795
  370   1HG2  THR  48          1HG2      THR  48 -10.199  -2.887  -0.612
  371   2HG2  THR  48          2HG2      THR  48 -11.898  -2.861  -1.083
  372   3HG2  THR  48          3HG2      THR  48 -11.388  -3.753   0.360
  373    H    GLY  49           H        GLY  49  -8.625  -2.514  -2.635
  374   1HA   GLY  49          1HA       GLY  49  -8.635  -0.297  -3.283
  375   2HA   GLY  49          2HA       GLY  49 -10.146  -0.490  -4.174
  376    H    LEU  50           H        LEU  50  -8.775   0.575  -1.246
  377    HA   LEU  50           HA       LEU  50 -11.197   0.745   0.286
  378   1HB   LEU  50          1HB       LEU  50  -8.815   1.012   1.054
  379   2HB   LEU  50          2HB       LEU  50  -8.791   2.624   0.342
  380    HG   LEU  50           HG       LEU  50 -10.473   3.382   1.952
  381   1HD1  LEU  50          1HD1      LEU  50 -11.832   1.337   2.306
  382   2HD1  LEU  50          2HD1      LEU  50 -10.412   0.487   2.953
  383   3HD1  LEU  50          3HD1      LEU  50 -11.134   1.839   3.847
  384   1HD2  LEU  50          1HD2      LEU  50  -8.244   1.809   3.290
  385   2HD2  LEU  50          2HD2      LEU  50  -8.082   3.409   2.537
  386   3HD2  LEU  50          3HD2      LEU  50  -9.111   3.205   3.968
  387    H    ASN  51           H        ASN  51 -12.109   3.030   0.775
  388    HA   ASN  51           HA       ASN  51 -13.764   3.672  -1.239
  389   1HB   ASN  51          1HB       ASN  51 -12.919   5.842   0.752
  390   2HB   ASN  51          2HB       ASN  51 -14.486   5.624  -0.010
  391   1HD2  ASN  51          1HD2      ASN  51 -12.231   4.613   2.458
  392   2HD2  ASN  51          2HD2      ASN  51 -13.057   3.150   2.932
  393    H    ALA  52           H        ALA  52 -11.131   5.823  -0.350
  394    HA   ALA  52           HA       ALA  52 -11.113   7.248  -2.928
  395   1HB   ALA  52          1HB       ALA  52 -10.858   8.468  -0.832
  396   2HB   ALA  52          2HB       ALA  52  -9.439   7.494  -0.411
  397   3HB   ALA  52          3HB       ALA  52  -9.379   8.615  -1.799
  398    H    MET  53           H        MET  53 -10.201   4.243  -2.497
  399    HA   MET  53           HA       MET  53  -7.727   4.556  -4.168
  400   1HB   MET  53          1HB       MET  53  -8.372   2.834  -1.867
  401   2HB   MET  53          2HB       MET  53  -7.678   1.937  -3.222
  402   1HG   MET  53          1HG       MET  53  -5.702   3.215  -3.227
  403   2HG   MET  53          2HG       MET  53  -6.461   4.513  -2.275
  404   1HE   MET  53          1HE       MET  53  -6.404   0.565  -1.471
  405   2HE   MET  53          2HE       MET  53  -4.815   0.952  -2.176
  406   3HE   MET  53          3HE       MET  53  -4.969   0.559  -0.442
  407    HA   PRO  54           HA       PRO  54  -9.843   2.331  -7.366
  408   1HB   PRO  54          1HB       PRO  54  -7.770   1.519  -8.952
  409   2HB   PRO  54          2HB       PRO  54  -8.268   3.229  -8.807
  410   1HG   PRO  54          1HG       PRO  54  -6.043   1.832  -7.297
  411   2HG   PRO  54          2HG       PRO  54  -5.951   3.377  -8.193
  412   1HD   PRO  54          1HD       PRO  54  -6.335   3.248  -5.496
  413   2HD   PRO  54          2HD       PRO  54  -7.125   4.515  -6.483
  414    HA   PRO  55           HA       PRO  55  -9.698  -1.871  -5.707
  415   1HB   PRO  55          1HB       PRO  55 -11.027  -3.258  -7.624
  416   2HB   PRO  55          2HB       PRO  55 -11.845  -2.099  -6.538
  417   1HG   PRO  55          1HG       PRO  55 -10.834  -1.572  -9.345
  418   2HG   PRO  55          2HG       PRO  55 -12.460  -1.220  -8.685
  419   1HD   PRO  55          1HD       PRO  55 -10.542   0.684  -8.802
  420   2HD   PRO  55          2HD       PRO  55 -11.620   0.589  -7.374
  421    H    GLY  56           H        GLY  56  -7.855  -3.167  -5.596
  422   1HA   GLY  56          1HA       GLY  56  -6.279  -4.568  -6.584
  423   2HA   GLY  56          2HA       GLY  56  -6.699  -4.004  -8.173
  424    H    GLY  57           H        GLY  57  -6.217  -1.464  -5.824
  425   1HA   GLY  57          1HA       GLY  57  -4.539   0.088  -5.537
  426   2HA   GLY  57          2HA       GLY  57  -3.476  -1.326  -5.574
  427    H    MET  58           H        MET  58  -5.412  -0.158  -8.263
  428    HA   MET  58           HA       MET  58  -5.009   0.551 -10.319
  429   1HB   MET  58          1HB       MET  58  -3.799   2.397  -9.046
  430   2HB   MET  58          2HB       MET  58  -2.280   1.611  -9.487
  431   1HG   MET  58          1HG       MET  58  -4.063   1.931 -11.805
  432   2HG   MET  58          2HG       MET  58  -3.776   3.467 -10.998
  433   1HE   MET  58          1HE       MET  58  -3.131   2.373 -14.026
  434   2HE   MET  58          2HE       MET  58  -3.092   4.077 -13.501
  435   3HE   MET  58          3HE       MET  58  -1.692   3.369 -14.339
  436    H    CYS  59           H        CYS  59  -4.044  -2.137  -9.388
  437    HA   CYS  59           HA       CYS  59  -2.345  -2.862 -11.738
  438   1HB   CYS  59          1HB       CYS  59  -1.319  -2.988  -9.410
  439   2HB   CYS  59          2HB       CYS  59  -2.493  -4.255  -9.043
  440    H    THR  60           H        THR  60  -2.706  -5.171 -12.376
  441    HA   THR  60           HA       THR  60  -5.573  -6.019 -12.111
  442    HB   THR  60           HB       THR  60  -5.225  -5.134 -14.285
  443    HG1  THR  60           HG1      THR  60  -5.794  -7.057 -15.430
  444   1HG2  THR  60          1HG2      THR  60  -2.737  -5.545 -14.546
  445   2HG2  THR  60          2HG2      THR  60  -3.119  -7.263 -14.853
  446   3HG2  THR  60          3HG2      THR  60  -3.727  -6.010 -15.936
  447    H    ASP  61           H        ASP  61  -2.329  -7.360 -12.902
  448    HA   ASP  61           HA       ASP  61  -3.084  -9.870 -11.472
  449   1HB   ASP  61          1HB       ASP  61  -2.739  -9.799 -14.025
  450   2HB   ASP  61          2HB       ASP  61  -1.013  -9.587 -13.675
  451    H    CYS  62           H        CYS  62  -2.271  -7.926  -9.766
  452    HA   CYS  62           HA       CYS  62   0.650  -8.172  -9.300
  453   1HB   CYS  62          1HB       CYS  62  -1.568  -6.667  -7.921
  454   2HB   CYS  62          2HB       CYS  62  -0.051  -7.039  -7.087
  455    H    THR  63           H        THR  63   1.555  -9.941  -8.339
  456    HA   THR  63           HA       THR  63  -0.129 -11.890  -6.960
  457    HB   THR  63           HB       THR  63   2.104 -13.050  -6.779
  458    HG1  THR  63           HG1      THR  63   3.794 -12.070  -8.032
  459   1HG2  THR  63          1HG2      THR  63   0.599 -13.443  -8.734
  460   2HG2  THR  63          2HG2      THR  63   1.389 -12.110  -9.601
  461   3HG2  THR  63          3HG2      THR  63   2.313 -13.563  -9.174
  462    H    ASP  64           H        ASP  64  -0.192 -12.144  -4.724
  463    HA   ASP  64           HA       ASP  64   0.374 -10.170  -2.930
  464   1HB   ASP  64          1HB       ASP  64  -0.043 -13.131  -2.808
  465   2HB   ASP  64          2HB       ASP  64   0.599 -12.334  -1.381
  466    H    GLU  65           H        GLU  65   2.790 -12.497  -4.158
  467    HA   GLU  65           HA       GLU  65   4.894 -11.873  -2.375
  468   1HB   GLU  65          1HB       GLU  65   5.088 -12.491  -5.358
  469   2HB   GLU  65          2HB       GLU  65   6.399 -12.515  -4.171
  470   1HG   GLU  65          1HG       GLU  65   4.781 -14.176  -2.850
  471   2HG   GLU  65          2HG       GLU  65   4.082 -14.437  -4.458
  472    H    ASP  66           H        ASP  66   4.245 -10.192  -5.573
  473    HA   ASP  66           HA       ASP  66   6.204  -8.142  -4.878
  474   1HB   ASP  66          1HB       ASP  66   4.508  -8.812  -7.240
  475   2HB   ASP  66          2HB       ASP  66   4.909  -7.102  -7.015
  476    H    TYR  67           H        TYR  67   2.736  -8.604  -4.325
  477    HA   TYR  67           HA       TYR  67   2.136  -5.810  -4.084
  478   1HB   TYR  67          1HB       TYR  67   0.735  -8.258  -4.187
  479   2HB   TYR  67          2HB       TYR  67   0.410  -7.715  -2.559
  480    HD1  TYR  67           HD1      TYR  67   0.405  -4.603  -3.569
  481    HD2  TYR  67           HD2      TYR  67  -1.585  -8.282  -4.670
  482    HE1  TYR  67           HE1      TYR  67  -1.357  -3.323  -4.729
  483    HE2  TYR  67           HE2      TYR  67  -3.467  -6.964  -5.591
  484    HH   TYR  67           HH       TYR  67  -4.197  -4.855  -6.112
  485    H    LYS  68           H        LYS  68   2.806  -8.451  -1.854
  486    HA   LYS  68           HA       LYS  68   2.625  -6.953   0.596
  487   1HB   LYS  68          1HB       LYS  68   2.321  -9.406   0.476
  488   2HB   LYS  68          2HB       LYS  68   4.035  -9.595   0.023
  489   1HG   LYS  68          1HG       LYS  68   4.736  -8.549   2.149
  490   2HG   LYS  68          2HG       LYS  68   3.030  -8.244   2.557
  491   1HD   LYS  68          1HD       LYS  68   2.573 -10.671   2.455
  492   2HD   LYS  68          2HD       LYS  68   4.282 -10.988   2.091
  493   1HE   LYS  68          1HE       LYS  68   4.998 -10.326   4.265
  494   2HE   LYS  68          2HE       LYS  68   3.544  -9.365   4.558
  495   1HZ   LYS  68          1HZ       LYS  68   2.224 -11.307   4.770
  496   2HZ   LYS  68          2HZ       LYS  68   3.502 -12.297   4.414
  497   3HZ   LYS  68          3HZ       LYS  68   3.495 -11.428   5.809
  498    H    ALA  69           H        ALA  69   5.399  -8.189  -1.436
  499    HA   ALA  69           HA       ALA  69   7.510  -6.971  -0.089
  500   1HB   ALA  69          1HB       ALA  69   7.862  -8.501  -1.826
  501   2HB   ALA  69          2HB       ALA  69   7.097  -7.430  -3.007
  502   3HB   ALA  69          3HB       ALA  69   8.651  -6.973  -2.250
  503    H    ALA  70           H        ALA  70   5.102  -5.434  -2.194
  504    HA   ALA  70           HA       ALA  70   6.471  -2.844  -2.354
  505   1HB   ALA  70          1HB       ALA  70   5.045  -3.602  -4.182
  506   2HB   ALA  70          2HB       ALA  70   3.631  -3.621  -3.112
  507   3HB   ALA  70          3HB       ALA  70   4.438  -2.096  -3.484
  508    H    ILE  71           H        ILE  71   3.989  -4.271  -0.321
  509    HA   ILE  71           HA       ILE  71   3.326  -1.821   1.136
  510    HB   ILE  71           HB       ILE  71   2.401  -4.551   0.844
  511   1HG1  ILE  71          1HG1      ILE  71   0.614  -2.955   2.399
  512   2HG1  ILE  71          2HG1      ILE  71   1.211  -2.051   0.997
  513   1HG2  ILE  71          1HG2      ILE  71   3.283  -5.269   2.907
  514   2HG2  ILE  71          2HG2      ILE  71   2.652  -3.845   3.762
  515   3HG2  ILE  71          3HG2      ILE  71   1.547  -5.048   3.077
  516   1HD1  ILE  71          1HD1      ILE  71   0.534  -3.938  -0.465
  517   2HD1  ILE  71          2HD1      ILE  71   0.002  -4.830   0.983
  518   3HD1  ILE  71          3HD1      ILE  71  -0.826  -3.336   0.508
  519    H    GLU  72           H        GLU  72   5.239  -4.694   1.854
  520    HA   GLU  72           HA       GLU  72   6.209  -3.762   4.350
  521   1HB   GLU  72          1HB       GLU  72   7.623  -5.694   4.422
  522   2HB   GLU  72          2HB       GLU  72   6.016  -6.124   3.827
  523   1HG   GLU  72          1HG       GLU  72   7.134  -7.195   2.179
  524   2HG   GLU  72          2HG       GLU  72   7.357  -5.569   1.505
  525    H    PHE  73           H        PHE  73   7.404  -3.243   1.078
  526    HA   PHE  73           HA       PHE  73   9.907  -2.216   1.452
  527   1HB   PHE  73          1HB       PHE  73   8.516  -2.182  -0.650
  528   2HB   PHE  73          2HB       PHE  73   7.691  -0.757  -0.040
  529    HD1  PHE  73           HD1      PHE  73   9.028   1.397   0.286
  530    HD2  PHE  73           HD2      PHE  73  10.694  -2.091  -1.629
  531    HE1  PHE  73           HE1      PHE  73  10.885   2.774  -0.621
  532    HE2  PHE  73           HE2      PHE  73  12.537  -0.693  -2.549
  533    HZ   PHE  73           HZ       PHE  73  12.616   1.727  -2.076
  534    H    MET  74           H        MET  74   6.886  -0.621   2.548
  535    HA   MET  74           HA       MET  74   8.315   1.778   3.375
  536   1HB   MET  74          1HB       MET  74   5.520   0.812   3.842
  537   2HB   MET  74          2HB       MET  74   6.075   2.412   4.383
  538   1HG   MET  74          1HG       MET  74   4.975   2.910   2.396
  539   2HG   MET  74          2HG       MET  74   6.605   2.711   1.775
  540   1HE   MET  74          1HE       MET  74   2.840   1.735   1.172
  541   2HE   MET  74          2HE       MET  74   3.824   2.632  -0.034
  542   3HE   MET  74          3HE       MET  74   3.242   0.981  -0.355
  543    H    SER  75           H        SER  75   6.262  -0.480   5.287
  544    HA   SER  75           HA       SER  75   8.257  -0.808   7.381
  545   1HB   SER  75          1HB       SER  75   7.387   1.587   7.700
  546   2HB   SER  75          2HB       SER  75   5.848   0.855   8.182
  547    HG   SER  75           HG       SER  75   7.214   1.229   9.985
  548    H    LYS  76           H        LYS  76   6.562  -2.533   5.810
  549    HA   LYS  76           HA       LYS  76   4.952  -4.223   5.957
  550   1HB   LYS  76          1HB       LYS  76   5.766  -6.014   7.351
  551   2HB   LYS  76          2HB       LYS  76   7.069  -5.246   6.464
  552   1HG   LYS  76          1HG       LYS  76   6.594  -4.248   9.243
  553   2HG   LYS  76          2HG       LYS  76   7.216  -5.892   9.058
  554   1HD   LYS  76          1HD       LYS  76   9.167  -5.173   7.844
  555   2HD   LYS  76          2HD       LYS  76   8.508  -3.572   7.562
  556   1HE   LYS  76          1HE       LYS  76  10.214  -3.432   9.286
  557   2HE   LYS  76          2HE       LYS  76   8.629  -3.010   9.950
  558   1HZ   LYS  76          1HZ       LYS  76   8.492  -5.253  10.841
  559   2HZ   LYS  76          2HZ       LYS  76   9.973  -5.629  10.233
  560   3HZ   LYS  76          3HZ       LYS  76   9.831  -4.491  11.414
  561    H    ALA  77           H        ALA  77   3.454  -2.357   6.693
  562    HA   ALA  77           HA       ALA  77   1.836  -3.508   8.911
  563   1HB   ALA  77          1HB       ALA  77   3.412  -1.440   9.567
  564   2HB   ALA  77          2HB       ALA  77   2.090  -0.517   8.818
  565   3HB   ALA  77          3HB       ALA  77   1.754  -1.588  10.161
  566    H    LYS  78           H        LYS  78   1.885  -0.990   6.413
  567    HA   LYS  78           HA       LYS  78  -0.723  -1.871   5.465
  568   1HB   LYS  78          1HB       LYS  78  -1.614   0.362   5.184
  569   2HB   LYS  78          2HB       LYS  78  -1.269   0.015   6.861
  570   1HG   LYS  78          1HG       LYS  78  -0.277   1.992   7.000
  571   2HG   LYS  78          2HG       LYS  78   1.002   1.360   5.996
  572   1HD   LYS  78          1HD       LYS  78  -1.517   2.688   4.915
  573   2HD   LYS  78          2HD       LYS  78  -0.036   3.562   5.307
  574   1HE   LYS  78          1HE       LYS  78   0.893   1.516   3.684
  575   2HE   LYS  78          2HE       LYS  78  -0.682   1.799   2.980
  576   1HZ   LYS  78          1HZ       LYS  78  -0.020   4.099   2.698
  577   2HZ   LYS  78          2HZ       LYS  78   1.397   3.828   3.468
  578   3HZ   LYS  78          3HZ       LYS  78   1.111   3.122   2.010
  579    HHA  HEC  90           HHA      HEC  90  -5.790   4.266   3.417
  580    HHB  HEC  90           HHB      HEC  90  -1.358   0.195   1.025
  581    HHC  HEC  90           HHC      HEC  90  -1.996   3.091  -4.716
  582    HHD  HEC  90           HHD      HEC  90  -5.512   7.759  -1.941
  583   1HMA  HEC  90          1HMA      HEC  90  -3.954  -0.961   2.658
  584   2HMA  HEC  90          2HMA      HEC  90  -2.218  -0.685   2.810
  585   3HMA  HEC  90          3HMA      HEC  90  -3.288  -0.387   4.193
  586   1HAA  HEC  90          1HAA      HEC  90  -5.019   0.884   4.918
  587   2HAA  HEC  90          2HAA      HEC  90  -6.000   2.244   4.430
  588   1HBA  HEC  90          1HBA      HEC  90  -3.639   3.504   4.965
  589   2HBA  HEC  90          2HBA      HEC  90  -3.493   2.167   6.102
  590   1HMB  HEC  90          1HMB      HEC  90  -0.413  -1.325  -1.176
  591   2HMB  HEC  90          2HMB      HEC  90   0.937  -0.462  -1.901
  592   3HMB  HEC  90          3HMB      HEC  90   0.535  -0.161  -0.233
  593    HAB  HEC  90           HAB      HEC  90  -0.541   1.597  -4.934
  594   1HBB  HEC  90          1HBB      HEC  90  -1.481  -0.679  -4.736
  595   2HBB  HEC  90          2HBB      HEC  90   0.119  -0.630  -5.495
  596   3HBB  HEC  90          3HBB      HEC  90  -0.049  -1.180  -3.820
  597   1HMC  HEC  90          1HMC      HEC  90  -3.983   5.148  -6.636
  598   2HMC  HEC  90          2HMC      HEC  90  -2.581   6.214  -6.336
  599   3HMC  HEC  90          3HMC      HEC  90  -2.418   4.487  -6.224
  600    HAC  HEC  90           HAC      HEC  90  -5.872   7.679  -4.336
  601   1HBC  HEC  90          1HBC      HEC  90  -5.157   7.008  -6.602
  602   2HBC  HEC  90          2HBC      HEC  90  -5.312   8.749  -6.353
  603   3HBC  HEC  90          3HBC      HEC  90  -3.704   8.049  -6.376
  604   1HMD  HEC  90          1HMD      HEC  90  -7.449   8.505  -0.313
  605   2HMD  HEC  90          2HMD      HEC  90  -7.053   8.969   1.355
  606   3HMD  HEC  90          3HMD      HEC  90  -5.898   9.250   0.062
  607   1HAD  HEC  90          1HAD      HEC  90  -7.746   5.680   3.043
  608   2HAD  HEC  90          2HAD      HEC  90  -7.955   7.339   2.545
  609   1HBD  HEC  90          1HBD      HEC  90  -6.112   8.030   4.083
  610   2HBD  HEC  90          2HBD      HEC  90  -5.962   6.345   4.626
  Start of MODEL   11
    1   1H    ALA  -3          1H        ALA  -3   6.425   1.250 -14.256
    2   2H    ALA  -3          2H        ALA  -3   6.728   2.511 -15.275
    3   3H    ALA  -3          3H        ALA  -3   5.463   1.500 -15.581
    4    HA   ALA  -3           HA       ALA  -3   7.253   1.075 -17.059
    5   1HB   ALA  -3          1HB       ALA  -3   9.064   1.819 -15.580
    6   2HB   ALA  -3          2HB       ALA  -3   8.846   0.389 -14.552
    7   3HB   ALA  -3          3HB       ALA  -3   9.374   0.203 -16.239
    8    H    ASP  -2           H        ASP  -2   7.418  -1.192 -14.206
    9    HA   ASP  -2           HA       ASP  -2   5.648  -3.062 -15.541
   10   1HB   ASP  -2          1HB       ASP  -2   8.464  -3.007 -16.171
   11   2HB   ASP  -2          2HB       ASP  -2   8.209  -4.406 -15.130
   12    H    LEU  -1           H        LEU  -1   4.740  -4.478 -14.198
   13    HA   LEU  -1           HA       LEU  -1   5.375  -4.423 -11.303
   14   1HB   LEU  -1          1HB       LEU  -1   3.123  -4.369 -11.645
   15   2HB   LEU  -1          2HB       LEU  -1   3.137  -5.493 -12.999
   16    HG   LEU  -1           HG       LEU  -1   4.077  -6.714 -10.464
   17   1HD1  LEU  -1          1HD1      LEU  -1   2.369  -5.221  -9.516
   18   2HD1  LEU  -1          2HD1      LEU  -1   1.161  -5.880 -10.630
   19   3HD1  LEU  -1          3HD1      LEU  -1   1.954  -6.926  -9.417
   20   1HD2  LEU  -1          1HD2      LEU  -1   1.710  -7.474 -12.224
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.342  -7.851 -12.740
   22   3HD2  LEU  -1          3HD2      LEU  -1   2.736  -8.538 -11.226
   23    H    GLN   1           H        GLN   1   7.515  -5.056 -11.801
   24    HA   GLN   1           HA       GLN   1   7.838  -8.040 -11.914
   25   1HB   GLN   1          1HB       GLN   1   9.051  -6.125 -13.519
   26   2HB   GLN   1          2HB       GLN   1  10.284  -6.381 -12.288
   27   1HG   GLN   1          1HG       GLN   1   8.927  -8.502 -14.032
   28   2HG   GLN   1          2HG       GLN   1  10.559  -7.867 -14.267
   29   1HE2  GLN   1          1HE2      GLN   1  11.955  -8.072 -12.051
   30   2HE2  GLN   1          2HE2      GLN   1  11.810  -9.672 -11.334
   31    H    ASP   2           H        ASP   2   8.205  -5.349  -9.808
   32    HA   ASP   2           HA       ASP   2   9.454  -6.983  -7.731
   33   1HB   ASP   2          1HB       ASP   2  11.293  -5.757  -8.983
   34   2HB   ASP   2          2HB       ASP   2  10.502  -4.226  -8.576
   35    H    ALA   3           H        ALA   3   9.543  -4.937  -5.917
   36    HA   ALA   3           HA       ALA   3   6.707  -4.133  -5.506
   37   1HB   ALA   3          1HB       ALA   3   7.474  -5.648  -3.907
   38   2HB   ALA   3          2HB       ALA   3   9.034  -4.811  -3.683
   39   3HB   ALA   3          3HB       ALA   3   7.533  -4.031  -3.153
   40    H    GLU   4           H        GLU   4  10.161  -3.026  -5.362
   41    HA   GLU   4           HA       GLU   4   9.588  -0.397  -4.361
   42   1HB   GLU   4          1HB       GLU   4  11.810  -0.895  -4.240
   43   2HB   GLU   4          2HB       GLU   4  11.854  -1.697  -5.811
   44   1HG   GLU   4          1HG       GLU   4  13.166   0.400  -5.764
   45   2HG   GLU   4          2HG       GLU   4  11.921   0.397  -7.006
   46    H    ALA   5           H        ALA   5   9.919  -1.632  -7.644
   47    HA   ALA   5           HA       ALA   5   9.210   0.834  -8.968
   48   1HB   ALA   5          1HB       ALA   5  10.514  -0.937 -10.053
   49   2HB   ALA   5          2HB       ALA   5   9.114  -2.038  -9.971
   50   3HB   ALA   5          3HB       ALA   5   9.035  -0.566 -10.970
   51    H    ILE   6           H        ILE   6   7.303  -1.856  -7.621
   52    HA   ILE   6           HA       ILE   6   4.934  -1.166  -9.100
   53    HB   ILE   6           HB       ILE   6   5.692  -3.239  -7.395
   54   1HG1  ILE   6          1HG1      ILE   6   4.385  -3.446  -9.430
   55   2HG1  ILE   6          2HG1      ILE   6   3.649  -4.292  -8.064
   56   1HG2  ILE   6          1HG2      ILE   6   4.857  -2.221  -5.392
   57   2HG2  ILE   6          2HG2      ILE   6   3.270  -1.914  -6.108
   58   3HG2  ILE   6          3HG2      ILE   6   3.827  -3.574  -5.842
   59   1HD1  ILE   6          1HD1      ILE   6   1.940  -2.564  -7.825
   60   2HD1  ILE   6          2HD1      ILE   6   2.746  -1.514  -9.007
   61   3HD1  ILE   6          3HD1      ILE   6   2.036  -3.039  -9.527
   62    H    TYR   7           H        TYR   7   6.045  -0.441  -5.710
   63    HA   TYR   7           HA       TYR   7   3.716   1.171  -5.334
   64   1HB   TYR   7          1HB       TYR   7   4.338   1.528  -3.170
   65   2HB   TYR   7          2HB       TYR   7   5.147   0.016  -3.513
   66    HD1  TYR   7           HD1      TYR   7   5.568   3.727  -3.224
   67    HD2  TYR   7           HD2      TYR   7   7.508  -0.119  -3.117
   68    HE1  TYR   7           HE1      TYR   7   7.762   4.837  -2.837
   69    HE2  TYR   7           HE2      TYR   7   9.678   1.007  -2.674
   70    HH   TYR   7           HH       TYR   7  10.730   3.010  -3.191
   71    H    ASN   8           H        ASN   8   7.036   1.929  -6.305
   72    HA   ASN   8           HA       ASN   8   6.729   4.763  -6.317
   73   1HB   ASN   8          1HB       ASN   8   8.805   3.461  -6.113
   74   2HB   ASN   8          2HB       ASN   8   8.627   2.908  -7.790
   75   1HD2  ASN   8          1HD2      ASN   8  10.919   3.873  -7.332
   76   2HD2  ASN   8          2HD2      ASN   8  11.060   5.480  -8.094
   77    H    LYS   9           H        LYS   9   5.917   2.294  -8.758
   78    HA   LYS   9           HA       LYS   9   4.983   4.363 -10.645
   79   1HB   LYS   9          1HB       LYS   9   5.935   2.136 -11.309
   80   2HB   LYS   9          2HB       LYS   9   4.451   1.391 -10.717
   81   1HG   LYS   9          1HG       LYS   9   3.561   3.496 -12.429
   82   2HG   LYS   9          2HG       LYS   9   5.042   2.968 -13.153
   83   1HD   LYS   9          1HD       LYS   9   3.310   1.735 -14.184
   84   2HD   LYS   9          2HD       LYS   9   4.077   0.553 -13.117
   85   1HE   LYS   9          1HE       LYS   9   1.684   2.186 -12.141
   86   2HE   LYS   9          2HE       LYS   9   1.408   0.905 -13.316
   87   1HZ   LYS   9          1HZ       LYS   9   2.381  -0.667 -11.809
   88   2HZ   LYS   9          2HZ       LYS   9   2.663   0.503 -10.682
   89   3HZ   LYS   9          3HZ       LYS   9   1.119   0.123 -11.102
   90    H    ALA  10           H        ALA  10   3.490   2.501  -8.037
   91    HA   ALA  10           HA       ALA  10   0.726   3.101  -9.063
   92   1HB   ALA  10          1HB       ALA  10   1.278   0.705  -8.894
   93   2HB   ALA  10          2HB       ALA  10   1.638   0.895  -7.168
   94   3HB   ALA  10          3HB       ALA  10   0.010   1.157  -7.752
   95    H    CYS  11           H        CYS  11   2.196   2.475  -5.845
   96    HA   CYS  11           HA       CYS  11   0.278   4.205  -4.501
   97   1HB   CYS  11          1HB       CYS  11   2.634   3.152  -3.066
   98   2HB   CYS  11          2HB       CYS  11   0.943   3.170  -2.594
   99    H    THR  12           H        THR  12   1.588   5.676  -6.372
  100    HA   THR  12           HA       THR  12   3.634   7.353  -4.979
  101    HB   THR  12           HB       THR  12   4.474   5.751  -6.785
  102    HG1  THR  12           HG1      THR  12   4.696   8.504  -7.294
  103   1HG2  THR  12          1HG2      THR  12   2.520   5.986  -8.355
  104   2HG2  THR  12          2HG2      THR  12   2.955   7.686  -8.633
  105   3HG2  THR  12          3HG2      THR  12   4.040   6.420  -9.148
  106    H    VAL  13           H        VAL  13   0.615   7.431  -6.203
  107    HA   VAL  13           HA       VAL  13   0.809  10.131  -7.421
  108    HB   VAL  13           HB       VAL  13  -1.495   8.132  -7.173
  109   1HG1  VAL  13          1HG1      VAL  13  -2.225  10.441  -7.465
  110   2HG1  VAL  13          2HG1      VAL  13  -1.075  10.644  -8.810
  111   3HG1  VAL  13          3HG1      VAL  13  -2.466   9.534  -8.974
  112   1HG2  VAL  13          1HG2      VAL  13   0.472   8.664  -9.446
  113   2HG2  VAL  13          2HG2      VAL  13   0.264   7.138  -8.560
  114   3HG2  VAL  13          3HG2      VAL  13  -1.022   7.725  -9.612
  115    H    CYS  14           H        CYS  14  -0.766   8.304  -4.870
  116    HA   CYS  14           HA       CYS  14  -1.820  10.708  -3.537
  117   1HB   CYS  14          1HB       CYS  14  -2.304   7.767  -3.148
  118   2HB   CYS  14          2HB       CYS  14  -3.323   9.107  -2.553
  119    H    HIS  15           H        HIS  15  -0.075   7.669  -2.621
  120    HA   HIS  15           HA       HIS  15   0.341   8.549   0.097
  121   1HB   HIS  15          1HB       HIS  15   1.436   6.269  -1.615
  122   2HB   HIS  15          2HB       HIS  15   1.879   6.481   0.071
  123    HD1  HIS  15           HD1      HIS  15   0.536   5.270   1.703
  124    HD2  HIS  15           HD2      HIS  15  -1.373   5.843  -1.978
  125    HE1  HIS  15           HE1      HIS  15  -1.470   3.702   1.708
  126    H    SER  16           H        SER  16   2.120   9.298  -2.693
  127    HA   SER  16           HA       SER  16   4.809   9.394  -1.542
  128   1HB   SER  16          1HB       SER  16   4.604   9.089  -3.895
  129   2HB   SER  16          2HB       SER  16   3.563  10.517  -4.081
  130    HG   SER  16           HG       SER  16   5.795  10.873  -4.645
  131    H    MET  17           H        MET  17   2.211  11.695  -2.177
  132    HA   MET  17           HA       MET  17   3.599  13.850  -0.622
  133   1HB   MET  17          1HB       MET  17   1.570  13.950  -2.890
  134   2HB   MET  17          2HB       MET  17   2.215  15.363  -2.039
  135   1HG   MET  17          1HG       MET  17   3.912  13.372  -3.618
  136   2HG   MET  17          2HG       MET  17   3.325  14.921  -4.215
  137   1HE   MET  17          1HE       MET  17   6.345  14.005  -4.380
  138   2HE   MET  17          2HE       MET  17   5.694  15.544  -5.007
  139   3HE   MET  17          3HE       MET  17   7.131  15.546  -3.957
  140    H    GLY  18           H        GLY  18   0.502  12.177  -1.117
  141   1HA   GLY  18          1HA       GLY  18  -1.199  11.827   0.403
  142   2HA   GLY  18          2HA       GLY  18  -0.518  13.001   1.506
  143    H    VAL  19           H        VAL  19  -1.948  12.851  -1.794
  144    HA   VAL  19           HA       VAL  19  -3.073  15.565  -1.552
  145    HB   VAL  19           HB       VAL  19  -3.249  13.532  -3.818
  146   1HG1  VAL  19          1HG1      VAL  19  -5.132  15.115  -3.965
  147   2HG1  VAL  19          2HG1      VAL  19  -4.025  16.484  -3.731
  148   3HG1  VAL  19          3HG1      VAL  19  -3.932  15.496  -5.201
  149   1HG2  VAL  19          1HG2      VAL  19  -1.498  16.008  -3.471
  150   2HG2  VAL  19          2HG2      VAL  19  -0.935  14.322  -3.441
  151   3HG2  VAL  19          3HG2      VAL  19  -1.595  15.004  -4.933
  152    H    ALA  20           H        ALA  20  -4.495  12.391  -2.085
  153    HA   ALA  20           HA       ALA  20  -7.205  13.387  -1.440
  154   1HB   ALA  20          1HB       ALA  20  -6.820  11.819  -3.263
  155   2HB   ALA  20          2HB       ALA  20  -6.070  10.664  -2.141
  156   3HB   ALA  20          3HB       ALA  20  -7.810  11.047  -1.997
  157    H    GLY  21           H        GLY  21  -5.122  13.571   0.575
  158   1HA   GLY  21          1HA       GLY  21  -4.777  13.191   2.841
  159   2HA   GLY  21          2HA       GLY  21  -6.370  12.427   2.920
  160    H    ALA  22           H        ALA  22  -4.108  11.099   0.624
  161    HA   ALA  22           HA       ALA  22  -4.157   8.539   1.810
  162   1HB   ALA  22          1HB       ALA  22  -3.865   8.765  -0.534
  163   2HB   ALA  22          2HB       ALA  22  -2.394   9.731  -0.334
  164   3HB   ALA  22          3HB       ALA  22  -2.394   8.001   0.077
  165    HA   PRO  23           HA       PRO  23  -1.100   8.978   4.923
  166   1HB   PRO  23          1HB       PRO  23  -0.403   6.454   5.482
  167   2HB   PRO  23          2HB       PRO  23  -2.082   7.044   5.749
  168   1HG   PRO  23          1HG       PRO  23  -0.994   5.535   3.370
  169   2HG   PRO  23          2HG       PRO  23  -2.465   5.111   4.274
  170   1HD   PRO  23          1HD       PRO  23  -2.659   6.555   2.005
  171   2HD   PRO  23          2HD       PRO  23  -3.667   6.959   3.425
  172    H    LYS  24           H        LYS  24   1.111   9.030   5.325
  173    HA   LYS  24           HA       LYS  24   2.719   9.277   3.007
  174   1HB   LYS  24          1HB       LYS  24   2.881   9.894   5.799
  175   2HB   LYS  24          2HB       LYS  24   4.406   9.120   5.357
  176   1HG   LYS  24          1HG       LYS  24   4.807  10.763   3.640
  177   2HG   LYS  24          2HG       LYS  24   3.141  11.344   3.731
  178   1HD   LYS  24          1HD       LYS  24   4.261  11.608   6.384
  179   2HD   LYS  24          2HD       LYS  24   5.468  12.201   5.243
  180   1HE   LYS  24          1HE       LYS  24   3.396  13.489   4.149
  181   2HE   LYS  24          2HE       LYS  24   2.601  13.149   5.695
  182   1HZ   LYS  24          1HZ       LYS  24   4.462  14.324   6.758
  183   2HZ   LYS  24          2HZ       LYS  24   5.132  14.615   5.280
  184   3HZ   LYS  24          3HZ       LYS  24   3.685  15.287   5.668
  185    H    SER  25           H        SER  25   4.060   8.050   1.964
  186    HA   SER  25           HA       SER  25   4.299   5.309   2.023
  187   1HB   SER  25          1HB       SER  25   6.343   5.659   0.677
  188   2HB   SER  25          2HB       SER  25   5.025   6.741   0.185
  189    HG   SER  25           HG       SER  25   7.055   7.856   0.452
  190    H    HIS  26           H        HIS  26   5.918   7.478   4.258
  191    HA   HIS  26           HA       HIS  26   7.144   5.107   5.569
  192   1HB   HIS  26          1HB       HIS  26   9.294   5.995   5.697
  193   2HB   HIS  26          2HB       HIS  26   8.824   6.129   4.006
  194    HD1  HIS  26           HD1      HIS  26  10.991   7.930   5.806
  195    HD2  HIS  26           HD2      HIS  26   7.193   9.037   4.379
  196    HE1  HIS  26           HE1      HIS  26  10.938  10.482   5.747
  197    H    ASN  27           H        ASN  27   4.819   6.403   6.400
  198    HA   ASN  27           HA       ASN  27   5.606   7.980   8.793
  199   1HB   ASN  27          1HB       ASN  27   3.030   7.157   7.473
  200   2HB   ASN  27          2HB       ASN  27   3.010   7.231   9.240
  201   1HD2  ASN  27          1HD2      ASN  27   1.254   8.874   8.194
  202   2HD2  ASN  27          2HD2      ASN  27   1.875  10.511   8.280
  203    H    THR  28           H        THR  28   5.592   7.240  10.890
  204    HA   THR  28           HA       THR  28   5.191   4.282  11.308
  205    HB   THR  28           HB       THR  28   6.650   6.269  13.075
  206    HG1  THR  28           HG1      THR  28   8.347   4.695  12.352
  207   1HG2  THR  28          1HG2      THR  28   5.661   4.438  14.422
  208   2HG2  THR  28          2HG2      THR  28   6.272   3.237  13.265
  209   3HG2  THR  28          3HG2      THR  28   7.400   4.188  14.250
  210    H    ALA  29           H        ALA  29   4.021   7.520  12.269
  211    HA   ALA  29           HA       ALA  29   2.402   6.532  14.437
  212   1HB   ALA  29          1HB       ALA  29   3.142   8.840  14.285
  213   2HB   ALA  29          2HB       ALA  29   2.176   9.077  12.805
  214   3HB   ALA  29          3HB       ALA  29   1.368   8.742  14.356
  215    H    ASP  30           H        ASP  30   1.721   6.992  10.969
  216    HA   ASP  30           HA       ASP  30  -1.140   6.466  11.264
  217   1HB   ASP  30          1HB       ASP  30   0.117   7.992   9.610
  218   2HB   ASP  30          2HB       ASP  30   0.482   6.522   8.685
  219    H    TRP  31           H        TRP  31   1.803   4.709  10.608
  220    HA   TRP  31           HA       TRP  31   0.517   2.233   9.726
  221   1HB   TRP  31          1HB       TRP  31   3.379   3.035  10.194
  222   2HB   TRP  31          2HB       TRP  31   2.886   1.423   9.637
  223    HD1  TRP  31           HD1      TRP  31   2.420   5.118   8.533
  224    HE1  TRP  31           HE1      TRP  31   2.600   5.351   5.977
  225    HE3  TRP  31           HE3      TRP  31   3.187   0.190   7.290
  226    HZ2  TRP  31           HZ2      TRP  31   2.644   3.623   3.734
  227    HZ3  TRP  31           HZ3      TRP  31   3.007  -0.484   4.923
  228    HH2  TRP  31           HH2      TRP  31   2.582   1.193   3.175
  229    H    GLU  32           H        GLU  32   1.943   3.512  12.775
  230    HA   GLU  32           HA       GLU  32   2.137   1.313  14.371
  231   1HB   GLU  32          1HB       GLU  32   1.320   4.153  14.770
  232   2HB   GLU  32          2HB       GLU  32   0.830   3.059  16.053
  233   1HG   GLU  32          1HG       GLU  32   3.648   2.592  15.331
  234   2HG   GLU  32          2HG       GLU  32   3.334   4.273  15.757
  235    HA   PRO  33           HA       PRO  33  -2.443   0.706  15.374
  236   1HB   PRO  33          1HB       PRO  33  -4.449   2.173  14.225
  237   2HB   PRO  33          2HB       PRO  33  -3.482   2.790  15.592
  238   1HG   PRO  33          1HG       PRO  33  -3.028   3.332  12.636
  239   2HG   PRO  33          2HG       PRO  33  -3.168   4.530  13.957
  240   1HD   PRO  33          1HD       PRO  33  -0.766   3.669  13.085
  241   2HD   PRO  33          2HD       PRO  33  -1.054   3.966  14.821
  242    H    ARG  34           H        ARG  34  -0.991   0.523  12.433
  243    HA   ARG  34           HA       ARG  34  -3.094  -1.218  11.212
  244   1HB   ARG  34          1HB       ARG  34  -0.687   0.118   9.936
  245   2HB   ARG  34          2HB       ARG  34  -1.962  -0.778   9.125
  246   1HG   ARG  34          1HG       ARG  34  -2.386   1.813  10.711
  247   2HG   ARG  34          2HG       ARG  34  -2.038   1.763   8.994
  248   1HD   ARG  34          1HD       ARG  34  -4.044   0.444   8.585
  249   2HD   ARG  34          2HD       ARG  34  -4.443   0.469  10.323
  250    HE   ARG  34           HE       ARG  34  -4.156   3.134   9.727
  251   1HH1  ARG  34          2HH1      ARG  34  -6.245   0.574   8.563
  252   2HH1  ARG  34          1HH1      ARG  34  -7.513   1.637   8.017
  253   1HH2  ARG  34          1HH2      ARG  34  -5.820   4.567   9.002
  254   2HH2  ARG  34          2HH2      ARG  34  -7.256   3.910   8.282
  255    H    LEU  35           H        LEU  35   0.352  -0.943  12.090
  256    HA   LEU  35           HA       LEU  35   1.054  -3.675  11.532
  257   1HB   LEU  35          1HB       LEU  35   2.396  -1.305  11.971
  258   2HB   LEU  35          2HB       LEU  35   2.638  -2.098  13.516
  259    HG   LEU  35           HG       LEU  35   3.414  -3.096  10.739
  260   1HD1  LEU  35          1HD1      LEU  35   4.785  -1.297  11.709
  261   2HD1  LEU  35          2HD1      LEU  35   4.996  -2.255  13.192
  262   3HD1  LEU  35          3HD1      LEU  35   5.703  -2.820  11.655
  263   1HD2  LEU  35          1HD2      LEU  35   3.883  -4.508  13.377
  264   2HD2  LEU  35          2HD2      LEU  35   2.819  -5.069  12.055
  265   3HD2  LEU  35          3HD2      LEU  35   4.561  -4.954  11.794
  266    H    ALA  36           H        ALA  36  -1.132  -2.816  13.653
  267    HA   ALA  36           HA       ALA  36  -0.232  -4.053  16.169
  268   1HB   ALA  36          1HB       ALA  36  -1.623  -2.016  16.224
  269   2HB   ALA  36          2HB       ALA  36  -2.897  -2.838  15.298
  270   3HB   ALA  36          3HB       ALA  36  -2.488  -3.394  16.936
  271    H    LYS  37           H        LYS  37  -2.251  -4.655  13.315
  272    HA   LYS  37           HA       LYS  37  -3.011  -7.311  14.302
  273   1HB   LYS  37          1HB       LYS  37  -3.615  -5.853  11.697
  274   2HB   LYS  37          2HB       LYS  37  -4.006  -7.551  12.004
  275   1HG   LYS  37          1HG       LYS  37  -5.005  -6.382  14.287
  276   2HG   LYS  37          2HG       LYS  37  -5.237  -5.062  13.157
  277   1HD   LYS  37          1HD       LYS  37  -6.128  -7.810  12.242
  278   2HD   LYS  37          2HD       LYS  37  -6.980  -7.141  13.628
  279   1HE   LYS  37          1HE       LYS  37  -7.549  -5.102  12.377
  280   2HE   LYS  37          2HE       LYS  37  -6.661  -5.691  10.959
  281   1HZ   LYS  37          1HZ       LYS  37  -8.208  -7.519  10.815
  282   2HZ   LYS  37          2HZ       LYS  37  -8.987  -7.050  12.184
  283   3HZ   LYS  37          3HZ       LYS  37  -9.061  -6.113  10.838
  284    H    GLY  38           H        GLY  38  -1.235  -6.094  11.419
  285   1HA   GLY  38          1HA       GLY  38   1.184  -7.184  11.644
  286   2HA   GLY  38          2HA       GLY  38   0.273  -8.653  11.274
  287    H    VAL  39           H        VAL  39   0.439  -9.197   9.213
  288    HA   VAL  39           HA       VAL  39   0.247  -7.212   7.044
  289    HB   VAL  39           HB       VAL  39   1.804  -8.766   5.760
  290   1HG1  VAL  39          1HG1      VAL  39   2.423  -6.508   6.543
  291   2HG1  VAL  39          2HG1      VAL  39   3.003  -7.212   8.069
  292   3HG1  VAL  39          3HG1      VAL  39   3.801  -7.622   6.529
  293   1HG2  VAL  39          1HG2      VAL  39   2.703  -9.675   8.527
  294   2HG2  VAL  39          2HG2      VAL  39   1.809 -10.680   7.363
  295   3HG2  VAL  39          3HG2      VAL  39   3.431 -10.088   6.969
  296    H    ASP  40           H        ASP  40  -0.147  -8.596   4.963
  297    HA   ASP  40           HA       ASP  40  -1.756  -9.550   3.804
  298   1HB   ASP  40          1HB       ASP  40  -1.786 -11.717   5.892
  299   2HB   ASP  40          2HB       ASP  40  -2.203 -11.829   4.177
  300    H    ASN  41           H        ASN  41  -2.605  -7.961   6.435
  301    HA   ASN  41           HA       ASN  41  -5.527  -8.533   6.275
  302   1HB   ASN  41          1HB       ASN  41  -4.512  -6.168   7.851
  303   2HB   ASN  41          2HB       ASN  41  -5.758  -7.319   8.253
  304   1HD2  ASN  41          1HD2      ASN  41  -2.648  -6.237   9.010
  305   2HD2  ASN  41          2HD2      ASN  41  -2.250  -7.586  10.046
  306    H    LEU  42           H        LEU  42  -3.344  -5.725   5.972
  307    HA   LEU  42           HA       LEU  42  -5.400  -4.108   4.697
  308   1HB   LEU  42          1HB       LEU  42  -2.479  -3.755   5.411
  309   2HB   LEU  42          2HB       LEU  42  -3.411  -2.521   4.578
  310    HG   LEU  42           HG       LEU  42  -5.009  -3.464   6.806
  311   1HD1  LEU  42          1HD1      LEU  42  -2.846  -4.158   7.848
  312   2HD1  LEU  42          2HD1      LEU  42  -2.283  -2.483   7.689
  313   3HD1  LEU  42          3HD1      LEU  42  -3.672  -2.848   8.720
  314   1HD2  LEU  42          1HD2      LEU  42  -3.592  -0.801   6.541
  315   2HD2  LEU  42          2HD2      LEU  42  -5.040  -1.238   5.624
  316   3HD2  LEU  42          3HD2      LEU  42  -5.117  -1.172   7.387
  317    H    VAL  43           H        VAL  43  -2.840  -6.230   3.528
  318    HA   VAL  43           HA       VAL  43  -2.722  -5.142   0.882
  319    HB   VAL  43           HB       VAL  43  -1.194  -6.865   2.187
  320   1HG1  VAL  43          1HG1      VAL  43  -2.993  -8.632   2.235
  321   2HG1  VAL  43          2HG1      VAL  43  -2.848  -8.750   0.462
  322   3HG1  VAL  43          3HG1      VAL  43  -1.464  -9.153   1.487
  323   1HG2  VAL  43          1HG2      VAL  43  -1.670  -6.987  -0.805
  324   2HG2  VAL  43          2HG2      VAL  43  -0.626  -5.826   0.052
  325   3HG2  VAL  43          3HG2      VAL  43  -0.224  -7.553   0.074
  326    H    LYS  44           H        LYS  44  -5.021  -7.183   2.622
  327    HA   LYS  44           HA       LYS  44  -6.391  -8.168   0.297
  328   1HB   LYS  44          1HB       LYS  44  -7.395  -8.003   3.123
  329   2HB   LYS  44          2HB       LYS  44  -8.104  -8.940   1.818
  330   1HG   LYS  44          1HG       LYS  44  -5.263  -9.335   2.839
  331   2HG   LYS  44          2HG       LYS  44  -6.641 -10.197   3.471
  332   1HD   LYS  44          1HD       LYS  44  -6.443 -11.749   1.933
  333   2HD   LYS  44          2HD       LYS  44  -6.783 -10.579   0.658
  334   1HE   LYS  44          1HE       LYS  44  -4.560 -10.380   0.039
  335   2HE   LYS  44          2HE       LYS  44  -3.947 -10.633   1.681
  336   1HZ   LYS  44          1HZ       LYS  44  -4.173 -12.906   1.505
  337   2HZ   LYS  44          2HZ       LYS  44  -5.023 -12.841   0.089
  338   3HZ   LYS  44          3HZ       LYS  44  -3.457 -12.397   0.112
  339    H    SER  45           H        SER  45  -6.760  -5.318   2.428
  340    HA   SER  45           HA       SER  45  -9.254  -4.425   1.253
  341   1HB   SER  45          1HB       SER  45  -7.898  -3.680   3.472
  342   2HB   SER  45          2HB       SER  45  -7.379  -2.401   2.360
  343    HG   SER  45           HG       SER  45  -9.278  -1.772   3.327
  344    H    VAL  46           H        VAL  46  -5.770  -3.878   0.716
  345    HA   VAL  46           HA       VAL  46  -5.973  -1.848  -1.202
  346    HB   VAL  46           HB       VAL  46  -3.985  -3.941  -0.452
  347   1HG1  VAL  46          1HG1      VAL  46  -3.653  -4.072  -2.759
  348   2HG1  VAL  46          2HG1      VAL  46  -3.679  -2.297  -2.982
  349   3HG1  VAL  46          3HG1      VAL  46  -2.340  -3.084  -2.104
  350   1HG2  VAL  46          1HG2      VAL  46  -3.616  -1.009  -0.859
  351   2HG2  VAL  46          2HG2      VAL  46  -4.300  -1.691   0.649
  352   3HG2  VAL  46          3HG2      VAL  46  -2.642  -2.114   0.146
  353    H    LYS  47           H        LYS  47  -5.911  -5.368  -1.735
  354    HA   LYS  47           HA       LYS  47  -6.301  -5.140  -4.547
  355   1HB   LYS  47          1HB       LYS  47  -6.092  -7.367  -4.623
  356   2HB   LYS  47          2HB       LYS  47  -5.451  -7.012  -3.002
  357   1HG   LYS  47          1HG       LYS  47  -8.034  -7.457  -2.348
  358   2HG   LYS  47          2HG       LYS  47  -8.005  -8.423  -3.810
  359   1HD   LYS  47          1HD       LYS  47  -5.808  -8.634  -1.703
  360   2HD   LYS  47          2HD       LYS  47  -7.418  -9.304  -1.400
  361   1HE   LYS  47          1HE       LYS  47  -6.266 -11.178  -2.162
  362   2HE   LYS  47          2HE       LYS  47  -7.179 -10.638  -3.569
  363   1HZ   LYS  47          1HZ       LYS  47  -5.037  -9.495  -4.250
  364   2HZ   LYS  47          2HZ       LYS  47  -4.239 -10.343  -3.085
  365   3HZ   LYS  47          3HZ       LYS  47  -4.976 -11.135  -4.251
  366    H    THR  48           H        THR  48  -8.569  -5.290  -1.860
  367    HA   THR  48           HA       THR  48 -10.970  -5.455  -3.468
  368    HB   THR  48           HB       THR  48 -10.472  -4.608  -0.603
  369    HG1  THR  48           HG1      THR  48 -11.245  -6.708  -0.247
  370   1HG2  THR  48          1HG2      THR  48 -12.608  -3.622  -1.207
  371   2HG2  THR  48          2HG2      THR  48 -13.111  -5.121  -2.025
  372   3HG2  THR  48          3HG2      THR  48 -12.906  -5.081  -0.260
  373    H    GLY  49           H        GLY  49  -8.988  -2.647  -2.428
  374   1HA   GLY  49          1HA       GLY  49  -9.206  -0.462  -3.158
  375   2HA   GLY  49          2HA       GLY  49 -10.748  -0.803  -3.947
  376    H    LEU  50           H        LEU  50  -9.380   0.729  -1.418
  377    HA   LEU  50           HA       LEU  50 -11.599   0.693   0.476
  378   1HB   LEU  50          1HB       LEU  50  -9.086   1.251   0.846
  379   2HB   LEU  50          2HB       LEU  50  -9.472   2.810   0.170
  380    HG   LEU  50           HG       LEU  50 -11.456   2.590   2.089
  381   1HD1  LEU  50          1HD1      LEU  50 -10.732   0.324   2.740
  382   2HD1  LEU  50          2HD1      LEU  50  -9.156   0.977   3.210
  383   3HD1  LEU  50          3HD1      LEU  50 -10.613   1.486   4.076
  384   1HD2  LEU  50          1HD2      LEU  50  -8.562   3.411   2.596
  385   2HD2  LEU  50          2HD2      LEU  50  -9.840   4.456   1.960
  386   3HD2  LEU  50          3HD2      LEU  50  -9.942   3.851   3.625
  387    H    ASN  51           H        ASN  51 -11.618   3.800   0.541
  388    HA   ASN  51           HA       ASN  51 -14.011   4.020  -1.121
  389   1HB   ASN  51          1HB       ASN  51 -12.697   6.298   0.439
  390   2HB   ASN  51          2HB       ASN  51 -14.363   6.159  -0.116
  391   1HD2  ASN  51          1HD2      ASN  51 -11.916   5.175   2.200
  392   2HD2  ASN  51          2HD2      ASN  51 -12.953   4.155   3.164
  393    H    ALA  52           H        ALA  52 -11.202   6.145  -0.862
  394    HA   ALA  52           HA       ALA  52 -11.471   7.292  -3.532
  395   1HB   ALA  52          1HB       ALA  52 -10.744   8.627  -1.625
  396   2HB   ALA  52          2HB       ALA  52  -9.438   7.483  -1.277
  397   3HB   ALA  52          3HB       ALA  52  -9.379   8.478  -2.756
  398    H    MET  53           H        MET  53 -10.056   4.454  -2.204
  399    HA   MET  53           HA       MET  53  -7.878   4.336  -4.182
  400   1HB   MET  53          1HB       MET  53  -7.973   3.794  -1.565
  401   2HB   MET  53          2HB       MET  53  -8.351   2.179  -2.164
  402   1HG   MET  53          1HG       MET  53  -6.216   2.153  -3.419
  403   2HG   MET  53          2HG       MET  53  -5.999   3.870  -3.034
  404   1HE   MET  53          1HE       MET  53  -6.749   0.421  -1.163
  405   2HE   MET  53          2HE       MET  53  -5.192   0.356  -2.031
  406   3HE   MET  53          3HE       MET  53  -5.244   0.353  -0.242
  407    HA   PRO  54           HA       PRO  54 -10.755   1.878  -6.576
  408   1HB   PRO  54          1HB       PRO  54  -9.217   1.290  -8.794
  409   2HB   PRO  54          2HB       PRO  54  -9.922   2.898  -8.459
  410   1HG   PRO  54          1HG       PRO  54  -7.121   1.933  -7.909
  411   2HG   PRO  54          2HG       PRO  54  -7.625   3.484  -8.639
  412   1HD   PRO  54          1HD       PRO  54  -6.958   3.206  -5.986
  413   2HD   PRO  54          2HD       PRO  54  -8.179   4.393  -6.539
  414    HA   PRO  55           HA       PRO  55  -9.937  -2.297  -5.427
  415   1HB   PRO  55          1HB       PRO  55 -11.184  -3.791  -7.369
  416   2HB   PRO  55          2HB       PRO  55 -12.056  -2.848  -6.134
  417   1HG   PRO  55          1HG       PRO  55 -11.479  -2.034  -8.970
  418   2HG   PRO  55          2HG       PRO  55 -13.013  -1.893  -8.059
  419   1HD   PRO  55          1HD       PRO  55 -11.311   0.205  -8.351
  420   2HD   PRO  55          2HD       PRO  55 -12.220  -0.036  -6.832
  421    H    GLY  56           H        GLY  56  -7.897  -3.189  -5.407
  422   1HA   GLY  56          1HA       GLY  56  -6.195  -4.441  -6.513
  423   2HA   GLY  56          2HA       GLY  56  -6.710  -3.804  -8.030
  424    H    GLY  57           H        GLY  57  -6.114  -1.869  -5.120
  425   1HA   GLY  57          1HA       GLY  57  -4.725  -0.108  -4.690
  426   2HA   GLY  57          2HA       GLY  57  -3.461  -1.092  -5.429
  427    H    MET  58           H        MET  58  -3.086  -0.839  -7.711
  428    HA   MET  58           HA       MET  58  -4.301   0.891  -9.470
  429   1HB   MET  58          1HB       MET  58  -3.239   2.642  -7.812
  430   2HB   MET  58          2HB       MET  58  -1.708   2.184  -8.537
  431   1HG   MET  58          1HG       MET  58  -2.791   2.709 -10.777
  432   2HG   MET  58          2HG       MET  58  -4.157   3.357  -9.862
  433   1HE   MET  58          1HE       MET  58  -3.739   5.571 -11.385
  434   2HE   MET  58          2HE       MET  58  -4.398   5.791  -9.738
  435   3HE   MET  58          3HE       MET  58  -3.138   6.888 -10.344
  436    H    CYS  59           H        CYS  59  -3.327  -1.733  -9.481
  437    HA   CYS  59           HA       CYS  59  -1.229  -1.630 -11.585
  438   1HB   CYS  59          1HB       CYS  59  -0.179  -3.690 -10.472
  439   2HB   CYS  59          2HB       CYS  59   0.095  -2.072  -9.806
  440    H    THR  60           H        THR  60  -0.894  -3.711 -12.699
  441    HA   THR  60           HA       THR  60  -3.455  -4.747 -13.652
  442    HB   THR  60           HB       THR  60  -0.586  -5.350 -14.509
  443    HG1  THR  60           HG1      THR  60  -1.320  -3.930 -16.240
  444   1HG2  THR  60          1HG2      THR  60  -2.169  -7.124 -15.305
  445   2HG2  THR  60          2HG2      THR  60  -3.250  -5.861 -15.919
  446   3HG2  THR  60          3HG2      THR  60  -1.639  -6.088 -16.628
  447    H    ASP  61           H        ASP  61  -0.748  -7.027 -13.436
  448    HA   ASP  61           HA       ASP  61  -2.424  -8.892 -11.939
  449   1HB   ASP  61          1HB       ASP  61   0.338  -9.079 -13.226
  450   2HB   ASP  61          2HB       ASP  61  -0.482 -10.408 -12.404
  451    H    CYS  62           H        CYS  62  -2.316  -7.081 -10.229
  452    HA   CYS  62           HA       CYS  62  -0.066  -6.866  -8.484
  453   1HB   CYS  62          1HB       CYS  62  -2.866  -6.863  -7.438
  454   2HB   CYS  62          2HB       CYS  62  -1.435  -5.989  -6.886
  455    H    THR  63           H        THR  63   0.926  -9.032  -8.321
  456    HA   THR  63           HA       THR  63  -0.530 -11.281  -7.226
  457    HB   THR  63           HB       THR  63   1.954 -12.107  -7.143
  458    HG1  THR  63           HG1      THR  63   3.328 -10.660  -8.418
  459   1HG2  THR  63          1HG2      THR  63   0.456 -12.676  -9.026
  460   2HG2  THR  63          2HG2      THR  63   0.824 -11.125  -9.804
  461   3HG2  THR  63          3HG2      THR  63   2.101 -12.333  -9.601
  462    H    ASP  64           H        ASP  64  -0.705 -11.779  -5.015
  463    HA   ASP  64           HA       ASP  64  -0.209 -10.054  -2.933
  464   1HB   ASP  64          1HB       ASP  64  -0.563 -12.955  -3.267
  465   2HB   ASP  64          2HB       ASP  64  -0.096 -12.364  -1.678
  466    H    GLU  65           H        GLU  65   2.160 -12.298  -4.376
  467    HA   GLU  65           HA       GLU  65   4.377 -11.922  -2.675
  468   1HB   GLU  65          1HB       GLU  65   4.094 -12.315  -5.674
  469   2HB   GLU  65          2HB       GLU  65   5.664 -12.268  -4.880
  470   1HG   GLU  65          1HG       GLU  65   3.486 -14.198  -3.944
  471   2HG   GLU  65          2HG       GLU  65   4.635 -14.585  -5.223
  472    H    ASP  66           H        ASP  66   3.540  -9.856  -5.589
  473    HA   ASP  66           HA       ASP  66   5.789  -8.082  -5.003
  474   1HB   ASP  66          1HB       ASP  66   3.470  -7.799  -6.984
  475   2HB   ASP  66          2HB       ASP  66   4.974  -6.863  -6.973
  476    H    TYR  67           H        TYR  67   2.264  -8.218  -4.504
  477    HA   TYR  67           HA       TYR  67   1.943  -5.598  -3.507
  478   1HB   TYR  67          1HB       TYR  67   0.524  -8.179  -3.522
  479   2HB   TYR  67          2HB       TYR  67   0.224  -7.319  -2.049
  480    HD1  TYR  67           HD1      TYR  67  -1.790  -8.221  -4.079
  481    HD2  TYR  67           HD2      TYR  67   0.180  -4.432  -3.409
  482    HE1  TYR  67           HE1      TYR  67  -3.740  -6.998  -5.014
  483    HE2  TYR  67           HE2      TYR  67  -1.620  -3.288  -4.620
  484    HH   TYR  67           HH       TYR  67  -3.642  -3.489  -5.568
  485    H    LYS  68           H        LYS  68   2.583  -8.624  -1.650
  486    HA   LYS  68           HA       LYS  68   2.699  -7.357   0.879
  487   1HB   LYS  68          1HB       LYS  68   3.512  -9.301   1.827
  488   2HB   LYS  68          2HB       LYS  68   2.354  -9.780   0.589
  489   1HG   LYS  68          1HG       LYS  68   4.246 -10.324  -0.921
  490   2HG   LYS  68          2HG       LYS  68   5.422  -9.910   0.324
  491   1HD   LYS  68          1HD       LYS  68   3.261 -11.975   0.807
  492   2HD   LYS  68          2HD       LYS  68   4.745 -12.388  -0.069
  493   1HE   LYS  68          1HE       LYS  68   6.156 -11.687   1.790
  494   2HE   LYS  68          2HE       LYS  68   4.759 -11.093   2.705
  495   1HZ   LYS  68          1HZ       LYS  68   3.932 -13.318   2.833
  496   2HZ   LYS  68          2HZ       LYS  68   5.153 -13.897   1.890
  497   3HZ   LYS  68          3HZ       LYS  68   5.481 -13.306   3.395
  498    H    ALA  69           H        ALA  69   5.299  -8.276  -1.429
  499    HA   ALA  69           HA       ALA  69   7.487  -7.166  -0.025
  500   1HB   ALA  69          1HB       ALA  69   7.785  -8.645  -1.854
  501   2HB   ALA  69          2HB       ALA  69   6.970  -7.544  -2.969
  502   3HB   ALA  69          3HB       ALA  69   8.543  -7.093  -2.255
  503    H    ALA  70           H        ALA  70   4.772  -5.511  -1.499
  504    HA   ALA  70           HA       ALA  70   6.292  -2.938  -1.784
  505   1HB   ALA  70          1HB       ALA  70   5.160  -3.758  -3.786
  506   2HB   ALA  70          2HB       ALA  70   3.602  -3.763  -2.928
  507   3HB   ALA  70          3HB       ALA  70   4.460  -2.238  -3.190
  508    H    ILE  71           H        ILE  71   4.095  -4.469   0.354
  509    HA   ILE  71           HA       ILE  71   3.482  -1.813   1.607
  510    HB   ILE  71           HB       ILE  71   1.527  -2.985   1.372
  511   1HG1  ILE  71          1HG1      ILE  71   2.252  -2.301   3.761
  512   2HG1  ILE  71          2HG1      ILE  71   0.727  -3.173   3.433
  513   1HG2  ILE  71          1HG2      ILE  71   2.085  -5.156   0.735
  514   2HG2  ILE  71          2HG2      ILE  71   2.952  -5.487   2.263
  515   3HG2  ILE  71          3HG2      ILE  71   1.165  -5.344   2.185
  516   1HD1  ILE  71          1HD1      ILE  71   1.549  -5.241   4.292
  517   2HD1  ILE  71          2HD1      ILE  71   3.216  -4.639   4.333
  518   3HD1  ILE  71          3HD1      ILE  71   1.982  -4.019   5.444
  519    H    GLU  72           H        GLU  72   5.111  -4.914   2.086
  520    HA   GLU  72           HA       GLU  72   6.076  -4.396   4.705
  521   1HB   GLU  72          1HB       GLU  72   7.336  -6.293   4.580
  522   2HB   GLU  72          2HB       GLU  72   5.975  -6.612   3.511
  523   1HG   GLU  72          1HG       GLU  72   7.760  -7.389   2.251
  524   2HG   GLU  72          2HG       GLU  72   7.633  -5.730   1.633
  525    H    PHE  73           H        PHE  73   7.410  -3.554   1.549
  526    HA   PHE  73           HA       PHE  73   9.863  -2.501   2.208
  527   1HB   PHE  73          1HB       PHE  73   8.817  -2.659  -0.048
  528   2HB   PHE  73          2HB       PHE  73   7.846  -1.234   0.303
  529    HD1  PHE  73           HD1      PHE  73  11.107  -2.552  -0.662
  530    HD2  PHE  73           HD2      PHE  73   9.037   1.011   0.610
  531    HE1  PHE  73           HE1      PHE  73  12.949  -1.154  -1.564
  532    HE2  PHE  73           HE2      PHE  73  10.914   2.398  -0.234
  533    HZ   PHE  73           HZ       PHE  73  12.832   1.325  -1.389
  534    H    MET  74           H        MET  74   6.690  -0.973   2.813
  535    HA   MET  74           HA       MET  74   7.909   1.528   3.725
  536   1HB   MET  74          1HB       MET  74   5.078   0.468   3.632
  537   2HB   MET  74          2HB       MET  74   5.513   2.033   4.371
  538   1HG   MET  74          1HG       MET  74   4.945   2.709   2.234
  539   2HG   MET  74          2HG       MET  74   6.686   2.480   2.069
  540   1HE   MET  74          1HE       MET  74   3.107   0.744   1.155
  541   2HE   MET  74          2HE       MET  74   3.562   2.284   0.371
  542   3HE   MET  74          3HE       MET  74   3.528   0.781  -0.556
  543    H    SER  75           H        SER  75   5.787  -0.920   5.369
  544    HA   SER  75           HA       SER  75   7.565  -0.931   7.663
  545   1HB   SER  75          1HB       SER  75   6.282   1.418   7.782
  546   2HB   SER  75          2HB       SER  75   4.994   0.423   8.464
  547    HG   SER  75           HG       SER  75   6.423   1.204  10.062
  548    H    LYS  76           H        LYS  76   6.100  -2.820   6.000
  549    HA   LYS  76           HA       LYS  76   4.467  -4.476   6.091
  550   1HB   LYS  76          1HB       LYS  76   5.091  -6.117   7.900
  551   2HB   LYS  76          2HB       LYS  76   6.314  -5.655   6.727
  552   1HG   LYS  76          1HG       LYS  76   7.342  -4.102   8.325
  553   2HG   LYS  76          2HG       LYS  76   6.132  -4.533   9.548
  554   1HD   LYS  76          1HD       LYS  76   8.131  -6.431   8.192
  555   2HD   LYS  76          2HD       LYS  76   8.368  -5.648   9.762
  556   1HE   LYS  76          1HE       LYS  76   6.136  -6.770  10.481
  557   2HE   LYS  76          2HE       LYS  76   6.291  -7.762   9.022
  558   1HZ   LYS  76          1HZ       LYS  76   8.447  -8.492   9.846
  559   2HZ   LYS  76          2HZ       LYS  76   8.275  -7.576  11.200
  560   3HZ   LYS  76          3HZ       LYS  76   7.263  -8.845  10.936
  561    H    ALA  77           H        ALA  77   3.166  -2.320   6.658
  562    HA   ALA  77           HA       ALA  77   1.037  -3.405   8.404
  563   1HB   ALA  77          1HB       ALA  77   2.429  -1.552   9.558
  564   2HB   ALA  77          2HB       ALA  77   1.540  -0.426   8.539
  565   3HB   ALA  77          3HB       ALA  77   0.667  -1.527   9.585
  566    H    LYS  78           H        LYS  78   1.127  -0.346   6.616
  567    HA   LYS  78           HA       LYS  78  -1.401  -1.163   5.303
  568   1HB   LYS  78          1HB       LYS  78  -2.187   1.096   5.726
  569   2HB   LYS  78          2HB       LYS  78  -1.609   0.369   7.219
  570   1HG   LYS  78          1HG       LYS  78   0.045   1.936   7.479
  571   2HG   LYS  78          2HG       LYS  78   0.550   1.695   5.835
  572   1HD   LYS  78          1HD       LYS  78   0.011   3.773   5.479
  573   2HD   LYS  78          2HD       LYS  78  -1.567   3.112   5.154
  574   1HE   LYS  78          1HE       LYS  78  -1.109   3.674   8.054
  575   2HE   LYS  78          2HE       LYS  78  -0.781   5.076   7.082
  576   1HZ   LYS  78          1HZ       LYS  78  -3.015   4.877   6.165
  577   2HZ   LYS  78          2HZ       LYS  78  -3.301   3.571   7.148
  578   3HZ   LYS  78          3HZ       LYS  78  -2.959   5.076   7.792
  579    HHA  HEC  90           HHA      HEC  90  -5.804   4.175   3.158
  580    HHB  HEC  90           HHB      HEC  90  -1.456  -0.026   0.897
  581    HHC  HEC  90           HHC      HEC  90  -1.843   2.808  -4.890
  582    HHD  HEC  90           HHD      HEC  90  -5.329   7.535  -2.277
  583   1HMA  HEC  90          1HMA      HEC  90  -4.015  -1.012   2.868
  584   2HMA  HEC  90          2HMA      HEC  90  -2.251  -0.839   2.711
  585   3HMA  HEC  90          3HMA      HEC  90  -3.065  -0.329   4.192
  586   1HAA  HEC  90          1HAA      HEC  90  -4.945   2.785   4.911
  587   2HAA  HEC  90          2HAA      HEC  90  -4.525   1.083   5.033
  588   1HBA  HEC  90          1HBA      HEC  90  -7.015   2.220   3.716
  589   2HBA  HEC  90          2HBA      HEC  90  -6.926   1.306   5.223
  590   1HMB  HEC  90          1HMB      HEC  90  -0.488  -1.611  -1.211
  591   2HMB  HEC  90          2HMB      HEC  90   0.892  -0.816  -1.981
  592   3HMB  HEC  90          3HMB      HEC  90   0.506  -0.448  -0.320
  593    HAB  HEC  90           HAB      HEC  90  -0.325   1.402  -5.007
  594   1HBB  HEC  90          1HBB      HEC  90  -1.234  -0.858  -5.044
  595   2HBB  HEC  90          2HBB      HEC  90   0.457  -0.809  -5.570
  596   3HBB  HEC  90          3HBB      HEC  90   0.048  -1.416  -3.957
  597   1HMC  HEC  90          1HMC      HEC  90  -3.625   4.919  -6.888
  598   2HMC  HEC  90          2HMC      HEC  90  -2.281   6.019  -6.482
  599   3HMC  HEC  90          3HMC      HEC  90  -2.069   4.283  -6.392
  600    HAC  HEC  90           HAC      HEC  90  -5.538   7.642  -4.377
  601   1HBC  HEC  90          1HBC      HEC  90  -5.632   6.205  -6.439
  602   2HBC  HEC  90          2HBC      HEC  90  -5.736   7.970  -6.645
  603   3HBC  HEC  90          3HBC      HEC  90  -4.221   7.148  -7.013
  604   1HMD  HEC  90          1HMD      HEC  90  -7.297   8.143  -1.083
  605   2HMD  HEC  90          2HMD      HEC  90  -7.517   8.539   0.628
  606   3HMD  HEC  90          3HMD      HEC  90  -6.061   9.061  -0.215
  607   1HAD  HEC  90          1HAD      HEC  90  -7.412   5.685   3.102
  608   2HAD  HEC  90          2HAD      HEC  90  -8.175   6.810   2.004
  609   1HBD  HEC  90          1HBD      HEC  90  -6.638   8.619   2.796
  610   2HBD  HEC  90          2HBD      HEC  90  -5.920   7.475   3.941
  Start of MODEL   12
    1   1H    ALA  -3          1H        ALA  -3   1.199  -1.481 -14.098
    2   2H    ALA  -3          2H        ALA  -3  -0.438  -1.744 -14.235
    3   3H    ALA  -3          3H        ALA  -3   0.539  -2.702 -13.301
    4    HA   ALA  -3           HA       ALA  -3   0.219  -3.970 -15.252
    5   1HB   ALA  -3          1HB       ALA  -3  -0.762  -2.137 -16.579
    6   2HB   ALA  -3          2HB       ALA  -3   0.846  -1.402 -16.771
    7   3HB   ALA  -3          3HB       ALA  -3   0.500  -2.990 -17.484
    8    H    ASP  -2           H        ASP  -2   2.115  -4.241 -13.553
    9    HA   ASP  -2           HA       ASP  -2   4.764  -4.382 -14.601
   10   1HB   ASP  -2          1HB       ASP  -2   5.588  -2.401 -13.213
   11   2HB   ASP  -2          2HB       ASP  -2   4.750  -1.989 -14.706
   12    H    LEU  -1           H        LEU  -1   5.425  -6.117 -13.354
   13    HA   LEU  -1           HA       LEU  -1   5.013  -5.968 -10.458
   14   1HB   LEU  -1          1HB       LEU  -1   3.820  -7.959 -10.153
   15   2HB   LEU  -1          2HB       LEU  -1   2.939  -6.914 -11.250
   16    HG   LEU  -1           HG       LEU  -1   2.512  -8.837 -12.266
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.741  -7.625 -13.997
   18   2HD1  LEU  -1          2HD1      LEU  -1   5.257  -8.413 -13.471
   19   3HD1  LEU  -1          3HD1      LEU  -1   3.954  -9.373 -14.169
   20   1HD2  LEU  -1          1HD2      LEU  -1   5.157 -10.142 -11.584
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.684 -10.245 -10.595
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.698 -10.882 -12.242
   23    H    GLN   1           H        GLN   1   7.281  -5.784 -12.078
   24    HA   GLN   1           HA       GLN   1   8.770  -8.284 -11.517
   25   1HB   GLN   1          1HB       GLN   1   9.169  -5.784 -13.214
   26   2HB   GLN   1          2HB       GLN   1  10.600  -6.657 -12.679
   27   1HG   GLN   1          1HG       GLN   1  10.004  -7.449 -14.860
   28   2HG   GLN   1          2HG       GLN   1   9.799  -8.736 -13.665
   29   1HE2  GLN   1          1HE2      GLN   1   8.384  -9.888 -15.083
   30   2HE2  GLN   1          2HE2      GLN   1   6.747  -9.314 -15.362
   31    H    ASP   2           H        ASP   2   8.447  -5.090 -10.168
   32    HA   ASP   2           HA       ASP   2  10.371  -5.829  -8.077
   33   1HB   ASP   2          1HB       ASP   2  11.662  -4.542  -9.768
   34   2HB   ASP   2          2HB       ASP   2  10.538  -3.188  -9.590
   35    H    ALA   3           H        ALA   3   9.433  -5.520  -6.232
   36    HA   ALA   3           HA       ALA   3   6.857  -4.411  -5.746
   37   1HB   ALA   3          1HB       ALA   3   8.025  -6.090  -4.428
   38   2HB   ALA   3          2HB       ALA   3   9.216  -4.877  -3.889
   39   3HB   ALA   3          3HB       ALA   3   7.502  -4.693  -3.456
   40    H    GLU   4           H        GLU   4  10.146  -2.970  -5.729
   41    HA   GLU   4           HA       GLU   4   9.383  -0.451  -4.570
   42   1HB   GLU   4          1HB       GLU   4  11.686  -1.077  -4.651
   43   2HB   GLU   4          2HB       GLU   4  11.693  -1.174  -6.411
   44   1HG   GLU   4          1HG       GLU   4  11.444   1.176  -6.683
   45   2HG   GLU   4          2HG       GLU   4  10.878   1.412  -5.032
   46    H    ALA   5           H        ALA   5   9.460  -1.753  -7.899
   47    HA   ALA   5           HA       ALA   5   8.748   0.784  -9.138
   48   1HB   ALA   5          1HB       ALA   5   9.964  -0.962 -10.373
   49   2HB   ALA   5          2HB       ALA   5   8.540  -2.032 -10.265
   50   3HB   ALA   5          3HB       ALA   5   8.442  -0.511 -11.169
   51    H    ILE   6           H        ILE   6   6.944  -2.072  -7.973
   52    HA   ILE   6           HA       ILE   6   4.388  -1.291  -8.993
   53    HB   ILE   6           HB       ILE   6   5.283  -2.907  -6.585
   54   1HG1  ILE   6          1HG1      ILE   6   3.738  -3.838  -9.007
   55   2HG1  ILE   6          2HG1      ILE   6   5.491  -3.668  -9.105
   56   1HG2  ILE   6          1HG2      ILE   6   3.094  -2.048  -5.911
   57   2HG2  ILE   6          2HG2      ILE   6   2.429  -2.369  -7.526
   58   3HG2  ILE   6          3HG2      ILE   6   2.855  -3.704  -6.448
   59   1HD1  ILE   6          1HD1      ILE   6   5.913  -5.419  -7.697
   60   2HD1  ILE   6          2HD1      ILE   6   4.424  -5.223  -6.758
   61   3HD1  ILE   6          3HD1      ILE   6   4.356  -5.959  -8.362
   62    H    TYR   7           H        TYR   7   5.895  -0.611  -5.694
   63    HA   TYR   7           HA       TYR   7   3.627   1.060  -5.195
   64   1HB   TYR   7          1HB       TYR   7   4.305   1.383  -3.062
   65   2HB   TYR   7          2HB       TYR   7   5.212  -0.069  -3.431
   66    HD1  TYR   7           HD1      TYR   7   7.606   0.014  -3.286
   67    HD2  TYR   7           HD2      TYR   7   5.322   3.658  -3.129
   68    HE1  TYR   7           HE1      TYR   7   9.705   1.342  -3.156
   69    HE2  TYR   7           HE2      TYR   7   7.418   4.974  -2.994
   70    HH   TYR   7           HH       TYR   7   9.704   4.894  -3.238
   71    H    ASN   8           H        ASN   8   6.860   1.806  -6.318
   72    HA   ASN   8           HA       ASN   8   6.624   4.623  -6.228
   73   1HB   ASN   8          1HB       ASN   8   8.720   3.248  -6.218
   74   2HB   ASN   8          2HB       ASN   8   8.422   2.851  -7.925
   75   1HD2  ASN   8          1HD2      ASN   8  10.273   3.788  -8.758
   76   2HD2  ASN   8          2HD2      ASN   8  10.592   5.512  -8.630
   77    H    LYS   9           H        LYS   9   5.533   2.312  -8.675
   78    HA   LYS   9           HA       LYS   9   4.809   4.543 -10.477
   79   1HB   LYS   9          1HB       LYS   9   5.740   2.211 -11.170
   80   2HB   LYS   9          2HB       LYS   9   4.083   1.660 -10.904
   81   1HG   LYS   9          1HG       LYS   9   3.780   4.022 -12.453
   82   2HG   LYS   9          2HG       LYS   9   5.317   3.363 -13.013
   83   1HD   LYS   9          1HD       LYS   9   3.674   2.375 -14.410
   84   2HD   LYS   9          2HD       LYS   9   4.139   1.114 -13.271
   85   1HE   LYS   9          1HE       LYS   9   2.033   0.976 -12.392
   86   2HE   LYS   9          2HE       LYS   9   1.952   2.704 -12.123
   87   1HZ   LYS   9          1HZ       LYS   9   1.341   3.037 -14.387
   88   2HZ   LYS   9          2HZ       LYS   9   1.426   1.419 -14.697
   89   3HZ   LYS   9          3HZ       LYS   9   0.278   2.013 -13.661
   90    H    ALA  10           H        ALA  10   3.292   2.498  -8.026
   91    HA   ALA  10           HA       ALA  10   0.558   3.319  -8.956
   92   1HB   ALA  10          1HB       ALA  10   1.092   0.879  -8.904
   93   2HB   ALA  10          2HB       ALA  10   1.223   0.994  -7.134
   94   3HB   ALA  10          3HB       ALA  10  -0.302   1.380  -7.934
   95    H    CYS  11           H        CYS  11   2.146   2.602  -5.772
   96    HA   CYS  11           HA       CYS  11   0.208   4.290  -4.365
   97   1HB   CYS  11          1HB       CYS  11   2.604   3.299  -2.955
   98   2HB   CYS  11          2HB       CYS  11   0.918   3.271  -2.471
   99    H    THR  12           H        THR  12   1.447   5.796  -6.250
  100    HA   THR  12           HA       THR  12   3.542   7.440  -4.894
  101    HB   THR  12           HB       THR  12   4.290   5.750  -6.663
  102    HG1  THR  12           HG1      THR  12   4.692   8.448  -7.305
  103   1HG2  THR  12          1HG2      THR  12   2.356   6.089  -8.241
  104   2HG2  THR  12          2HG2      THR  12   2.905   7.746  -8.553
  105   3HG2  THR  12          3HG2      THR  12   3.913   6.395  -9.027
  106    H    VAL  13           H        VAL  13   0.518   7.582  -6.081
  107    HA   VAL  13           HA       VAL  13   0.734  10.307  -7.255
  108    HB   VAL  13           HB       VAL  13  -1.608   8.343  -7.058
  109   1HG1  VAL  13          1HG1      VAL  13  -2.240  10.686  -7.372
  110   2HG1  VAL  13          2HG1      VAL  13  -1.074  10.826  -8.712
  111   3HG1  VAL  13          3HG1      VAL  13  -2.508   9.773  -8.874
  112   1HG2  VAL  13          1HG2      VAL  13   0.380   8.784  -9.329
  113   2HG2  VAL  13          2HG2      VAL  13   0.133   7.280  -8.416
  114   3HG2  VAL  13          3HG2      VAL  13  -1.143   7.881  -9.469
  115    H    CYS  14           H        CYS  14  -0.972   8.398  -4.874
  116    HA   CYS  14           HA       CYS  14  -2.099  10.627  -3.373
  117   1HB   CYS  14          1HB       CYS  14  -2.200   7.614  -3.375
  118   2HB   CYS  14          2HB       CYS  14  -3.137   8.606  -2.248
  119    H    HIS  15           H        HIS  15  -0.214   7.739  -2.509
  120    HA   HIS  15           HA       HIS  15   0.212   8.603   0.180
  121   1HB   HIS  15          1HB       HIS  15   1.307   6.356  -1.549
  122   2HB   HIS  15          2HB       HIS  15   1.724   6.543   0.145
  123    HD1  HIS  15           HD1      HIS  15   0.155   5.669   1.844
  124    HD2  HIS  15           HD2      HIS  15  -1.388   5.726  -2.026
  125    HE1  HIS  15           HE1      HIS  15  -1.711   3.915   1.810
  126    H    SER  16           H        SER  16   2.084   9.160  -2.656
  127    HA   SER  16           HA       SER  16   4.721   9.459  -1.609
  128   1HB   SER  16          1HB       SER  16   4.341   9.352  -3.985
  129   2HB   SER  16          2HB       SER  16   3.313  10.802  -3.960
  130    HG   SER  16           HG       SER  16   5.490  11.238  -4.606
  131    H    MET  17           H        MET  17   2.181  11.928  -2.154
  132    HA   MET  17           HA       MET  17   3.633  13.791  -0.320
  133   1HB   MET  17          1HB       MET  17   2.981  14.202  -2.908
  134   2HB   MET  17          2HB       MET  17   1.474  14.727  -2.155
  135   1HG   MET  17          1HG       MET  17   2.811  16.652  -2.359
  136   2HG   MET  17          2HG       MET  17   2.940  16.225  -0.648
  137   1HE   MET  17          1HE       MET  17   4.774  18.282  -2.258
  138   2HE   MET  17          2HE       MET  17   5.015  17.943  -0.521
  139   3HE   MET  17          3HE       MET  17   6.394  17.869  -1.648
  140    H    GLY  18           H        GLY  18   0.823  11.790  -0.478
  141   1HA   GLY  18          1HA       GLY  18  -0.727  11.434   1.179
  142   2HA   GLY  18          2HA       GLY  18  -0.268  12.910   2.029
  143    H    VAL  19           H        VAL  19  -1.277  12.305  -1.345
  144    HA   VAL  19           HA       VAL  19  -3.246  14.504  -1.271
  145    HB   VAL  19           HB       VAL  19  -2.185  12.742  -3.509
  146   1HG1  VAL  19          1HG1      VAL  19  -4.492  13.264  -4.110
  147   2HG1  VAL  19          2HG1      VAL  19  -4.241  14.979  -3.682
  148   3HG1  VAL  19          3HG1      VAL  19  -3.386  14.255  -5.058
  149   1HG2  VAL  19          1HG2      VAL  19  -1.871  15.709  -2.936
  150   2HG2  VAL  19          2HG2      VAL  19  -0.642  14.457  -2.665
  151   3HG2  VAL  19          3HG2      VAL  19  -1.179  14.815  -4.309
  152    H    ALA  20           H        ALA  20  -5.406  14.122  -1.954
  153    HA   ALA  20           HA       ALA  20  -7.472  13.253  -1.523
  154   1HB   ALA  20          1HB       ALA  20  -6.774  11.867  -3.454
  155   2HB   ALA  20          2HB       ALA  20  -6.181  10.623  -2.330
  156   3HB   ALA  20          3HB       ALA  20  -7.910  11.024  -2.382
  157    H    GLY  21           H        GLY  21  -5.421  13.183   0.719
  158   1HA   GLY  21          1HA       GLY  21  -5.581  12.757   2.991
  159   2HA   GLY  21          2HA       GLY  21  -7.066  11.836   2.730
  160    H    ALA  22           H        ALA  22  -4.247  10.909   0.808
  161    HA   ALA  22           HA       ALA  22  -4.365   8.321   1.937
  162   1HB   ALA  22          1HB       ALA  22  -3.922   8.662  -0.354
  163   2HB   ALA  22          2HB       ALA  22  -2.412   9.531  -0.024
  164   3HB   ALA  22          3HB       ALA  22  -2.546   7.793   0.329
  165    HA   PRO  23           HA       PRO  23  -1.426   8.608   5.314
  166   1HB   PRO  23          1HB       PRO  23  -1.018   5.991   5.792
  167   2HB   PRO  23          2HB       PRO  23  -2.621   6.758   6.006
  168   1HG   PRO  23          1HG       PRO  23  -1.619   5.196   3.636
  169   2HG   PRO  23          2HG       PRO  23  -3.129   4.910   4.550
  170   1HD   PRO  23          1HD       PRO  23  -3.133   6.393   2.279
  171   2HD   PRO  23          2HD       PRO  23  -4.117   6.882   3.692
  172    H    LYS  24           H        LYS  24   0.844   8.818   5.561
  173    HA   LYS  24           HA       LYS  24   2.100   9.078   3.021
  174   1HB   LYS  24          1HB       LYS  24   3.504   9.188   5.704
  175   2HB   LYS  24          2HB       LYS  24   4.132   9.757   4.166
  176   1HG   LYS  24          1HG       LYS  24   2.237  11.371   3.982
  177   2HG   LYS  24          2HG       LYS  24   1.713  10.906   5.613
  178   1HD   LYS  24          1HD       LYS  24   3.963  11.550   6.506
  179   2HD   LYS  24          2HD       LYS  24   4.468  12.007   4.869
  180   1HE   LYS  24          1HE       LYS  24   2.561  13.678   4.801
  181   2HE   LYS  24          2HE       LYS  24   2.214  13.291   6.494
  182   1HZ   LYS  24          1HZ       LYS  24   4.456  14.039   7.035
  183   2HZ   LYS  24          2HZ       LYS  24   4.746  14.410   5.459
  184   3HZ   LYS  24          3HZ       LYS  24   3.604  15.239   6.299
  185    H    SER  25           H        SER  25   3.656   8.010   1.858
  186    HA   SER  25           HA       SER  25   4.032   5.306   2.021
  187   1HB   SER  25          1HB       SER  25   6.082   7.301   0.986
  188   2HB   SER  25          2HB       SER  25   5.941   5.585   0.538
  189    HG   SER  25           HG       SER  25   4.829   6.888  -0.981
  190    H    HIS  26           H        HIS  26   5.815   7.707   3.896
  191    HA   HIS  26           HA       HIS  26   6.914   5.512   5.532
  192   1HB   HIS  26          1HB       HIS  26   8.955   6.649   5.964
  193   2HB   HIS  26          2HB       HIS  26   8.807   6.379   4.229
  194    HD1  HIS  26           HD1      HIS  26   8.158   8.680   2.769
  195    HD2  HIS  26           HD2      HIS  26   9.267   9.134   6.802
  196    HE1  HIS  26           HE1      HIS  26   8.655  11.161   3.117
  197    H    ASN  27           H        ASN  27   5.832   5.633   7.364
  198    HA   ASN  27           HA       ASN  27   5.783   8.056   8.952
  199   1HB   ASN  27          1HB       ASN  27   3.361   6.906   7.584
  200   2HB   ASN  27          2HB       ASN  27   3.216   7.016   9.337
  201   1HD2  ASN  27          1HD2      ASN  27   1.392   8.474   7.678
  202   2HD2  ASN  27          2HD2      ASN  27   1.866  10.148   7.895
  203    H    THR  28           H        THR  28   5.321   7.420  11.238
  204    HA   THR  28           HA       THR  28   5.667   4.447  11.733
  205    HB   THR  28           HB       THR  28   6.217   6.869  13.497
  206    HG1  THR  28           HG1      THR  28   8.122   5.044  12.552
  207   1HG2  THR  28          1HG2      THR  28   5.628   4.972  14.931
  208   2HG2  THR  28          2HG2      THR  28   6.695   3.896  14.002
  209   3HG2  THR  28          3HG2      THR  28   7.378   5.223  14.966
  210    H    ALA  29           H        ALA  29   3.757   7.335  12.660
  211    HA   ALA  29           HA       ALA  29   2.061   5.844  14.464
  212   1HB   ALA  29          1HB       ALA  29   2.673   8.167  14.814
  213   2HB   ALA  29          2HB       ALA  29   1.811   8.635  13.320
  214   3HB   ALA  29          3HB       ALA  29   0.909   7.963  14.703
  215    H    ASP  30           H        ASP  30   1.925   6.530  11.061
  216    HA   ASP  30           HA       ASP  30  -0.928   6.137  10.715
  217   1HB   ASP  30          1HB       ASP  30   0.875   7.573   9.480
  218   2HB   ASP  30          2HB       ASP  30   1.262   6.071   8.597
  219    H    TRP  31           H        TRP  31   2.057   4.309  10.513
  220    HA   TRP  31           HA       TRP  31   0.893   1.855   9.416
  221   1HB   TRP  31          1HB       TRP  31   3.668   2.636  10.331
  222   2HB   TRP  31          2HB       TRP  31   3.241   1.044   9.689
  223    HD1  TRP  31           HD1      TRP  31   3.365   4.738   8.534
  224    HE1  TRP  31           HE1      TRP  31   3.683   4.908   6.041
  225    HE3  TRP  31           HE3      TRP  31   3.282  -0.259   7.439
  226    HZ2  TRP  31           HZ2      TRP  31   3.578   3.106   3.781
  227    HZ3  TRP  31           HZ3      TRP  31   3.139  -0.947   5.015
  228    HH2  TRP  31           HH2      TRP  31   3.205   0.728   3.266
  229    H    GLU  32           H        GLU  32   2.133   3.009  12.654
  230    HA   GLU  32           HA       GLU  32   2.020   0.745  14.151
  231   1HB   GLU  32          1HB       GLU  32   1.673   3.595  14.646
  232   2HB   GLU  32          2HB       GLU  32   0.631   2.672  15.718
  233   1HG   GLU  32          1HG       GLU  32   2.524   1.313  16.484
  234   2HG   GLU  32          2HG       GLU  32   3.621   2.243  15.438
  235    HA   PRO  33           HA       PRO  33  -2.699   0.765  14.980
  236   1HB   PRO  33          1HB       PRO  33  -4.417   2.220  13.391
  237   2HB   PRO  33          2HB       PRO  33  -3.607   2.868  14.848
  238   1HG   PRO  33          1HG       PRO  33  -2.679   3.134  11.971
  239   2HG   PRO  33          2HG       PRO  33  -2.890   4.438  13.174
  240   1HD   PRO  33          1HD       PRO  33  -0.494   3.369  12.757
  241   2HD   PRO  33          2HD       PRO  33  -1.021   3.686  14.434
  242    H    ARG  34           H        ARG  34  -1.199   0.337  11.917
  243    HA   ARG  34           HA       ARG  34  -3.261  -1.652  11.056
  244   1HB   ARG  34          1HB       ARG  34  -0.977  -0.255   9.602
  245   2HB   ARG  34          2HB       ARG  34  -1.716  -1.738   9.031
  246   1HG   ARG  34          1HG       ARG  34  -3.030  -0.279   7.893
  247   2HG   ARG  34          2HG       ARG  34  -4.006  -0.438   9.350
  248   1HD   ARG  34          1HD       ARG  34  -2.948   1.665  10.203
  249   2HD   ARG  34          2HD       ARG  34  -2.028   1.770   8.688
  250    HE   ARG  34           HE       ARG  34  -4.842   1.529   8.100
  251   1HH1  ARG  34          2HH1      ARG  34  -2.511   3.892   9.255
  252   2HH1  ARG  34          1HH1      ARG  34  -3.269   5.260   8.568
  253   1HH2  ARG  34          1HH2      ARG  34  -6.068   3.237   7.423
  254   2HH2  ARG  34          2HH2      ARG  34  -5.612   4.880   7.844
  255    H    LEU  35           H        LEU  35   0.250  -1.322  11.676
  256    HA   LEU  35           HA       LEU  35   0.962  -4.032  11.533
  257   1HB   LEU  35          1HB       LEU  35   2.267  -1.633  11.998
  258   2HB   LEU  35          2HB       LEU  35   2.394  -2.405  13.568
  259    HG   LEU  35           HG       LEU  35   3.443  -3.331  10.879
  260   1HD1  LEU  35          1HD1      LEU  35   4.769  -1.679  12.111
  261   2HD1  LEU  35          2HD1      LEU  35   4.771  -2.721  13.550
  262   3HD1  LEU  35          3HD1      LEU  35   5.619  -3.234  12.082
  263   1HD2  LEU  35          1HD2      LEU  35   3.496  -4.992  13.421
  264   2HD2  LEU  35          2HD2      LEU  35   2.644  -5.402  11.905
  265   3HD2  LEU  35          3HD2      LEU  35   4.395  -5.323  11.923
  266    H    ALA  36           H        ALA  36  -1.017  -2.557  13.867
  267    HA   ALA  36           HA       ALA  36  -0.200  -4.086  16.224
  268   1HB   ALA  36          1HB       ALA  36  -0.887  -1.744  16.493
  269   2HB   ALA  36          2HB       ALA  36  -2.438  -2.077  15.693
  270   3HB   ALA  36          3HB       ALA  36  -2.077  -2.808  17.272
  271    H    LYS  37           H        LYS  37  -2.589  -4.057  13.628
  272    HA   LYS  37           HA       LYS  37  -4.162  -6.199  14.898
  273   1HB   LYS  37          1HB       LYS  37  -4.526  -4.586  12.350
  274   2HB   LYS  37          2HB       LYS  37  -5.422  -6.079  12.677
  275   1HG   LYS  37          1HG       LYS  37  -6.807  -4.277  13.271
  276   2HG   LYS  37          2HG       LYS  37  -6.357  -5.166  14.733
  277   1HD   LYS  37          1HD       LYS  37  -4.687  -3.449  15.312
  278   2HD   LYS  37          2HD       LYS  37  -5.015  -2.574  13.815
  279   1HE   LYS  37          1HE       LYS  37  -7.052  -3.114  16.041
  280   2HE   LYS  37          2HE       LYS  37  -6.052  -1.657  15.954
  281   1HZ   LYS  37          1HZ       LYS  37  -7.037  -1.130  13.847
  282   2HZ   LYS  37          2HZ       LYS  37  -7.980  -2.479  13.882
  283   3HZ   LYS  37          3HZ       LYS  37  -8.214  -1.287  14.989
  284    H    GLY  38           H        GLY  38  -2.101  -5.563  12.031
  285   1HA   GLY  38          1HA       GLY  38  -0.533  -7.855  12.096
  286   2HA   GLY  38          2HA       GLY  38  -1.988  -8.340  11.209
  287    H    VAL  39           H        VAL  39  -1.102  -8.507   9.182
  288    HA   VAL  39           HA       VAL  39  -0.040  -6.017   7.867
  289    HB   VAL  39           HB       VAL  39   1.076  -8.847   7.534
  290   1HG1  VAL  39          1HG1      VAL  39   1.364  -7.288   5.625
  291   2HG1  VAL  39          2HG1      VAL  39   2.155  -6.130   6.722
  292   3HG1  VAL  39          3HG1      VAL  39   2.913  -7.699   6.402
  293   1HG2  VAL  39          1HG2      VAL  39   2.118  -6.598   9.293
  294   2HG2  VAL  39          2HG2      VAL  39   1.665  -8.242   9.789
  295   3HG2  VAL  39          3HG2      VAL  39   3.086  -7.995   8.775
  296    H    ASP  40           H        ASP  40  -1.023  -9.361   7.267
  297    HA   ASP  40           HA       ASP  40  -1.807  -9.221   4.632
  298   1HB   ASP  40          1HB       ASP  40  -3.108 -10.963   6.760
  299   2HB   ASP  40          2HB       ASP  40  -2.751 -11.369   5.072
  300    H    ASN  41           H        ASN  41  -3.550  -8.241   7.488
  301    HA   ASN  41           HA       ASN  41  -6.124  -7.850   6.570
  302   1HB   ASN  41          1HB       ASN  41  -5.058  -5.663   8.309
  303   2HB   ASN  41          2HB       ASN  41  -6.479  -6.638   8.569
  304   1HD2  ASN  41          1HD2      ASN  41  -4.513  -5.755  10.452
  305   2HD2  ASN  41          2HD2      ASN  41  -3.823  -7.221  11.128
  306    H    LEU  42           H        LEU  42  -3.336  -6.034   5.614
  307    HA   LEU  42           HA       LEU  42  -4.993  -3.758   4.613
  308   1HB   LEU  42          1HB       LEU  42  -2.014  -4.149   5.028
  309   2HB   LEU  42          2HB       LEU  42  -2.766  -2.720   4.341
  310    HG   LEU  42           HG       LEU  42  -2.441  -2.069   6.527
  311   1HD1  LEU  42          1HD1      LEU  42  -4.822  -1.742   5.902
  312   2HD1  LEU  42          2HD1      LEU  42  -5.237  -3.250   6.754
  313   3HD1  LEU  42          3HD1      LEU  42  -4.589  -1.896   7.648
  314   1HD2  LEU  42          1HD2      LEU  42  -3.126  -4.862   7.486
  315   2HD2  LEU  42          2HD2      LEU  42  -1.578  -4.019   7.531
  316   3HD2  LEU  42          3HD2      LEU  42  -2.930  -3.480   8.546
  317    H    VAL  43           H        VAL  43  -2.606  -6.176   3.420
  318    HA   VAL  43           HA       VAL  43  -2.817  -5.434   0.726
  319    HB   VAL  43           HB       VAL  43  -1.242  -7.091   1.833
  320   1HG1  VAL  43          1HG1      VAL  43  -2.894  -8.733   2.644
  321   2HG1  VAL  43          2HG1      VAL  43  -3.349  -9.124   0.977
  322   3HG1  VAL  43          3HG1      VAL  43  -1.710  -9.457   1.565
  323   1HG2  VAL  43          1HG2      VAL  43  -2.414  -7.731  -0.905
  324   2HG2  VAL  43          2HG2      VAL  43  -1.228  -6.460  -0.536
  325   3HG2  VAL  43          3HG2      VAL  43  -0.792  -8.168  -0.323
  326    H    LYS  44           H        LYS  44  -5.066  -7.373   2.750
  327    HA   LYS  44           HA       LYS  44  -6.875  -7.917   0.609
  328   1HB   LYS  44          1HB       LYS  44  -8.660  -8.115   2.253
  329   2HB   LYS  44          2HB       LYS  44  -7.244  -9.132   2.555
  330   1HG   LYS  44          1HG       LYS  44  -6.536  -7.923   4.349
  331   2HG   LYS  44          2HG       LYS  44  -7.356  -6.437   3.863
  332   1HD   LYS  44          1HD       LYS  44  -8.989  -8.849   4.624
  333   2HD   LYS  44          2HD       LYS  44  -8.240  -7.858   5.895
  334   1HE   LYS  44          1HE       LYS  44  -9.226  -5.841   5.153
  335   2HE   LYS  44          2HE       LYS  44  -9.854  -6.576   3.667
  336   1HZ   LYS  44          1HZ       LYS  44 -11.294  -7.961   5.054
  337   2HZ   LYS  44          2HZ       LYS  44 -10.740  -7.225   6.416
  338   3HZ   LYS  44          3HZ       LYS  44 -11.598  -6.365   5.307
  339    H    SER  45           H        SER  45  -6.634  -4.884   2.564
  340    HA   SER  45           HA       SER  45  -9.080  -3.772   1.453
  341   1HB   SER  45          1HB       SER  45  -6.727  -2.537   2.932
  342   2HB   SER  45          2HB       SER  45  -8.123  -1.622   2.336
  343    HG   SER  45           HG       SER  45  -8.552  -2.245   4.443
  344    H    VAL  46           H        VAL  46  -5.642  -3.850   0.614
  345    HA   VAL  46           HA       VAL  46  -5.738  -1.962  -1.488
  346    HB   VAL  46           HB       VAL  46  -3.958  -4.222  -0.820
  347   1HG1  VAL  46          1HG1      VAL  46  -3.815  -4.160  -3.250
  348   2HG1  VAL  46          2HG1      VAL  46  -3.614  -2.386  -3.205
  349   3HG1  VAL  46          3HG1      VAL  46  -2.351  -3.453  -2.556
  350   1HG2  VAL  46          1HG2      VAL  46  -3.401  -1.267  -0.875
  351   2HG2  VAL  46          2HG2      VAL  46  -3.853  -2.205   0.570
  352   3HG2  VAL  46          3HG2      VAL  46  -2.337  -2.555  -0.271
  353    H    LYS  47           H        LYS  47  -6.098  -5.531  -1.609
  354    HA   LYS  47           HA       LYS  47  -6.760  -5.569  -4.401
  355   1HB   LYS  47          1HB       LYS  47  -6.849  -7.785  -4.220
  356   2HB   LYS  47          2HB       LYS  47  -5.991  -7.353  -2.735
  357   1HG   LYS  47          1HG       LYS  47  -8.526  -7.391  -1.767
  358   2HG   LYS  47          2HG       LYS  47  -8.776  -8.479  -3.121
  359   1HD   LYS  47          1HD       LYS  47  -6.398  -8.794  -1.254
  360   2HD   LYS  47          2HD       LYS  47  -8.022  -9.299  -0.720
  361   1HE   LYS  47          1HE       LYS  47  -8.184 -10.867  -2.615
  362   2HE   LYS  47          2HE       LYS  47  -6.578 -10.372  -3.184
  363   1HZ   LYS  47          1HZ       LYS  47  -5.640 -11.208  -1.138
  364   2HZ   LYS  47          2HZ       LYS  47  -7.127 -11.610  -0.555
  365   3HZ   LYS  47          3HZ       LYS  47  -6.502 -12.401  -1.853
  366    H    THR  48           H        THR  48  -8.786  -5.151  -1.552
  367    HA   THR  48           HA       THR  48 -11.300  -5.372  -2.887
  368    HB   THR  48           HB       THR  48 -10.539  -3.900  -0.340
  369    HG1  THR  48           HG1      THR  48 -11.189  -5.853   0.599
  370   1HG2  THR  48          1HG2      THR  48 -12.794  -3.183  -1.019
  371   2HG2  THR  48          2HG2      THR  48 -13.260  -4.877  -1.302
  372   3HG2  THR  48          3HG2      THR  48 -12.902  -4.307   0.341
  373    H    GLY  49           H        GLY  49  -9.118  -2.531  -2.507
  374   1HA   GLY  49          1HA       GLY  49  -9.287  -0.498  -3.610
  375   2HA   GLY  49          2HA       GLY  49 -10.822  -0.969  -4.341
  376    H    LEU  50           H        LEU  50  -9.281   0.707  -1.814
  377    HA   LEU  50           HA       LEU  50 -11.510   1.133  -0.015
  378   1HB   LEU  50          1HB       LEU  50  -8.834   1.477   0.066
  379   2HB   LEU  50          2HB       LEU  50  -9.292   3.115  -0.344
  380    HG   LEU  50           HG       LEU  50 -10.628   3.150   1.817
  381   1HD1  LEU  50          1HD1      LEU  50 -10.980   0.679   2.129
  382   2HD1  LEU  50          2HD1      LEU  50  -9.222   0.453   2.209
  383   3HD1  LEU  50          3HD1      LEU  50 -10.058   1.357   3.481
  384   1HD2  LEU  50          1HD2      LEU  50  -7.686   2.337   1.941
  385   2HD2  LEU  50          2HD2      LEU  50  -8.264   3.938   1.523
  386   3HD2  LEU  50          3HD2      LEU  50  -8.541   3.304   3.166
  387    H    ASN  51           H        ASN  51 -12.245   3.443   0.349
  388    HA   ASN  51           HA       ASN  51 -13.996   4.089  -1.684
  389   1HB   ASN  51          1HB       ASN  51 -13.036   6.235   0.274
  390   2HB   ASN  51          2HB       ASN  51 -14.619   6.058  -0.462
  391   1HD2  ASN  51          1HD2      ASN  51 -12.377   5.027   2.014
  392   2HD2  ASN  51          2HD2      ASN  51 -13.309   3.683   2.632
  393    H    ALA  52           H        ALA  52 -11.259   6.088  -0.792
  394    HA   ALA  52           HA       ALA  52 -11.017   7.290  -3.501
  395   1HB   ALA  52          1HB       ALA  52 -11.065   8.794  -1.604
  396   2HB   ALA  52          2HB       ALA  52  -9.761   7.905  -0.808
  397   3HB   ALA  52          3HB       ALA  52  -9.438   8.818  -2.307
  398    H    MET  53           H        MET  53 -10.172   4.351  -2.648
  399    HA   MET  53           HA       MET  53  -7.540   4.638  -4.042
  400   1HB   MET  53          1HB       MET  53  -7.281   3.954  -1.640
  401   2HB   MET  53          2HB       MET  53  -8.107   2.432  -2.071
  402   1HG   MET  53          1HG       MET  53  -6.428   1.936  -3.762
  403   2HG   MET  53          2HG       MET  53  -5.680   3.498  -3.500
  404   1HE   MET  53          1HE       MET  53  -6.835   0.953  -0.648
  405   2HE   MET  53          2HE       MET  53  -6.293  -0.042  -2.011
  406   3HE   MET  53          3HE       MET  53  -5.346  -0.024  -0.503
  407    HA   PRO  54           HA       PRO  54  -9.620   2.122  -7.084
  408   1HB   PRO  54          1HB       PRO  54  -7.487   1.509  -8.753
  409   2HB   PRO  54          2HB       PRO  54  -8.337   3.082  -8.728
  410   1HG   PRO  54          1HG       PRO  54  -5.802   2.329  -7.261
  411   2HG   PRO  54          2HG       PRO  54  -6.086   3.780  -8.270
  412   1HD   PRO  54          1HD       PRO  54  -6.243   3.863  -5.617
  413   2HD   PRO  54          2HD       PRO  54  -7.445   4.764  -6.586
  414    HA   PRO  55           HA       PRO  55  -9.096  -1.955  -5.511
  415   1HB   PRO  55          1HB       PRO  55  -9.924  -3.576  -7.547
  416   2HB   PRO  55          2HB       PRO  55 -11.025  -2.505  -6.636
  417   1HG   PRO  55          1HG       PRO  55  -9.680  -1.919  -9.289
  418   2HG   PRO  55          2HG       PRO  55 -11.417  -1.759  -8.887
  419   1HD   PRO  55          1HD       PRO  55  -9.761   0.376  -8.804
  420   2HD   PRO  55          2HD       PRO  55 -11.008   0.166  -7.539
  421    H    GLY  56           H        GLY  56  -7.500  -3.421  -5.215
  422   1HA   GLY  56          1HA       GLY  56  -5.375  -4.337  -5.435
  423   2HA   GLY  56          2HA       GLY  56  -5.573  -4.193  -7.176
  424    H    GLY  57           H        GLY  57  -5.879  -1.428  -5.002
  425   1HA   GLY  57          1HA       GLY  57  -4.732   0.560  -4.895
  426   2HA   GLY  57          2HA       GLY  57  -3.309  -0.455  -4.665
  427    H    MET  58           H        MET  58  -5.269  -0.256  -7.616
  428    HA   MET  58           HA       MET  58  -5.021   0.697  -9.602
  429   1HB   MET  58          1HB       MET  58  -3.643   2.549  -8.206
  430   2HB   MET  58          2HB       MET  58  -2.315   1.902  -9.178
  431   1HG   MET  58          1HG       MET  58  -3.809   2.292 -11.212
  432   2HG   MET  58          2HG       MET  58  -4.959   3.059 -10.127
  433   1HE   MET  58          1HE       MET  58  -4.980   5.137 -11.710
  434   2HE   MET  58          2HE       MET  58  -5.091   5.548  -9.976
  435   3HE   MET  58          3HE       MET  58  -4.059   6.514 -11.053
  436    H    CYS  59           H        CYS  59  -3.542  -1.889  -8.574
  437    HA   CYS  59           HA       CYS  59  -2.070  -2.447 -11.132
  438   1HB   CYS  59          1HB       CYS  59  -1.998  -3.646  -8.358
  439   2HB   CYS  59          2HB       CYS  59  -1.559  -4.586  -9.765
  440    H    THR  60           H        THR  60  -2.339  -4.584 -11.942
  441    HA   THR  60           HA       THR  60  -4.937  -5.981 -11.475
  442    HB   THR  60           HB       THR  60  -3.718  -5.391 -14.211
  443    HG1  THR  60           HG1      THR  60  -5.835  -4.319 -14.382
  444   1HG2  THR  60          1HG2      THR  60  -4.816  -7.595 -14.209
  445   2HG2  THR  60          2HG2      THR  60  -6.248  -6.901 -13.415
  446   3HG2  THR  60          3HG2      THR  60  -5.819  -6.423 -15.071
  447    H    ASP  61           H        ASP  61  -1.744  -6.155 -13.078
  448    HA   ASP  61           HA       ASP  61  -1.631  -9.008 -13.073
  449   1HB   ASP  61          1HB       ASP  61  -0.619  -7.038 -14.616
  450   2HB   ASP  61          2HB       ASP  61   0.770  -7.217 -13.529
  451    H    CYS  62           H        CYS  62  -0.454  -6.541 -10.935
  452    HA   CYS  62           HA       CYS  62   1.617  -7.791  -9.506
  453   1HB   CYS  62          1HB       CYS  62  -0.446  -5.885  -8.407
  454   2HB   CYS  62          2HB       CYS  62   1.200  -6.070  -7.817
  455    H    THR  63           H        THR  63   1.705  -9.488  -8.182
  456    HA   THR  63           HA       THR  63  -0.797 -10.788  -7.210
  457    HB   THR  63           HB       THR  63   2.027 -11.901  -7.549
  458    HG1  THR  63           HG1      THR  63   1.281 -11.325  -9.544
  459   1HG2  THR  63          1HG2      THR  63   0.563 -13.333  -6.096
  460   2HG2  THR  63          2HG2      THR  63  -0.700 -13.278  -7.354
  461   3HG2  THR  63          3HG2      THR  63   0.850 -14.078  -7.670
  462    H    ASP  64           H        ASP  64  -0.621 -11.812  -4.959
  463    HA   ASP  64           HA       ASP  64   0.095 -10.147  -2.912
  464   1HB   ASP  64          1HB       ASP  64  -0.305 -13.096  -3.238
  465   2HB   ASP  64          2HB       ASP  64   0.339 -12.503  -1.712
  466    H    GLU  65           H        GLU  65   2.273 -12.565  -4.405
  467    HA   GLU  65           HA       GLU  65   4.481 -12.310  -2.673
  468   1HB   GLU  65          1HB       GLU  65   5.832 -13.051  -4.636
  469   2HB   GLU  65          2HB       GLU  65   4.467 -14.087  -4.225
  470   1HG   GLU  65          1HG       GLU  65   3.155 -13.172  -6.098
  471   2HG   GLU  65          2HG       GLU  65   4.492 -12.083  -6.526
  472    H    ASP  66           H        ASP  66   3.486 -10.196  -5.373
  473    HA   ASP  66           HA       ASP  66   5.843  -8.488  -5.031
  474   1HB   ASP  66          1HB       ASP  66   3.545  -7.675  -6.765
  475   2HB   ASP  66          2HB       ASP  66   5.311  -7.577  -7.012
  476    H    TYR  67           H        TYR  67   2.320  -8.337  -4.391
  477    HA   TYR  67           HA       TYR  67   2.237  -5.622  -3.483
  478   1HB   TYR  67          1HB       TYR  67   0.522  -7.992  -2.683
  479   2HB   TYR  67          2HB       TYR  67   0.266  -6.354  -2.104
  480    HD1  TYR  67           HD1      TYR  67   0.107  -4.459  -3.915
  481    HD2  TYR  67           HD2      TYR  67  -1.134  -8.546  -4.238
  482    HE1  TYR  67           HE1      TYR  67  -1.438  -3.841  -5.783
  483    HE2  TYR  67           HE2      TYR  67  -2.723  -7.930  -6.037
  484    HH   TYR  67           HH       TYR  67  -3.269  -6.340  -7.551
  485    H    LYS  68           H        LYS  68   2.775  -8.607  -1.588
  486    HA   LYS  68           HA       LYS  68   2.899  -7.313   0.981
  487   1HB   LYS  68          1HB       LYS  68   3.470 -10.033  -0.039
  488   2HB   LYS  68          2HB       LYS  68   4.412  -9.536   1.366
  489   1HG   LYS  68          1HG       LYS  68   2.486  -8.995   2.652
  490   2HG   LYS  68          2HG       LYS  68   1.397  -9.162   1.260
  491   1HD   LYS  68          1HD       LYS  68   1.694 -11.499   1.116
  492   2HD   LYS  68          2HD       LYS  68   3.073 -11.522   2.219
  493   1HE   LYS  68          1HE       LYS  68   0.252 -10.662   3.073
  494   2HE   LYS  68          2HE       LYS  68   0.805 -12.334   3.137
  495   1HZ   LYS  68          1HZ       LYS  68   2.586 -11.631   4.618
  496   2HZ   LYS  68          2HZ       LYS  68   1.960 -10.099   4.666
  497   3HZ   LYS  68          3HZ       LYS  68   1.066 -11.385   5.194
  498    H    ALA  69           H        ALA  69   5.423  -8.270  -1.373
  499    HA   ALA  69           HA       ALA  69   7.636  -7.140  -0.068
  500   1HB   ALA  69          1HB       ALA  69   7.831  -8.604  -1.927
  501   2HB   ALA  69          2HB       ALA  69   7.022  -7.437  -2.985
  502   3HB   ALA  69          3HB       ALA  69   8.629  -7.059  -2.297
  503    H    ALA  70           H        ALA  70   5.050  -5.581  -1.933
  504    HA   ALA  70           HA       ALA  70   6.424  -3.028  -2.244
  505   1HB   ALA  70          1HB       ALA  70   4.735  -3.858  -3.853
  506   2HB   ALA  70          2HB       ALA  70   3.469  -3.606  -2.628
  507   3HB   ALA  70          3HB       ALA  70   4.400  -2.235  -3.239
  508    H    ILE  71           H        ILE  71   3.913  -4.266   0.084
  509    HA   ILE  71           HA       ILE  71   3.870  -1.730   1.491
  510    HB   ILE  71           HB       ILE  71   2.560  -2.986   3.068
  511   1HG1  ILE  71          1HG1      ILE  71   2.375  -5.299   1.215
  512   2HG1  ILE  71          2HG1      ILE  71   3.561  -5.299   2.549
  513   1HG2  ILE  71          1HG2      ILE  71   1.656  -1.803   1.057
  514   2HG2  ILE  71          2HG2      ILE  71   1.599  -3.342   0.191
  515   3HG2  ILE  71          3HG2      ILE  71   0.577  -3.082   1.624
  516   1HD1  ILE  71          1HD1      ILE  71   1.815  -5.059   4.184
  517   2HD1  ILE  71          2HD1      ILE  71   0.567  -4.957   2.917
  518   3HD1  ILE  71          3HD1      ILE  71   1.480  -6.460   3.148
  519    H    GLU  72           H        GLU  72   5.719  -4.740   1.798
  520    HA   GLU  72           HA       GLU  72   6.834  -3.969   4.365
  521   1HB   GLU  72          1HB       GLU  72   8.033  -5.883   4.373
  522   2HB   GLU  72          2HB       GLU  72   6.693  -6.359   3.323
  523   1HG   GLU  72          1HG       GLU  72   8.178  -5.736   1.374
  524   2HG   GLU  72          2HG       GLU  72   9.487  -5.451   2.483
  525    H    PHE  73           H        PHE  73   7.783  -3.379   0.927
  526    HA   PHE  73           HA       PHE  73  10.294  -2.241   1.327
  527   1HB   PHE  73          1HB       PHE  73   9.084  -2.398  -0.852
  528   2HB   PHE  73          2HB       PHE  73   8.069  -1.042  -0.380
  529    HD1  PHE  73           HD1      PHE  73  11.193  -2.016  -1.884
  530    HD2  PHE  73           HD2      PHE  73   9.210   1.244   0.137
  531    HE1  PHE  73           HE1      PHE  73  12.931  -0.443  -2.685
  532    HE2  PHE  73           HE2      PHE  73  10.982   2.786  -0.619
  533    HZ   PHE  73           HZ       PHE  73  12.797   1.962  -2.116
  534    H    MET  74           H        MET  74   7.140  -0.688   1.885
  535    HA   MET  74           HA       MET  74   8.266   1.807   2.830
  536   1HB   MET  74          1HB       MET  74   5.506   0.571   2.822
  537   2HB   MET  74          2HB       MET  74   5.852   2.153   3.577
  538   1HG   MET  74          1HG       MET  74   6.723   2.977   1.425
  539   2HG   MET  74          2HG       MET  74   6.410   1.429   0.643
  540   1HE   MET  74          1HE       MET  74   4.086   0.818  -0.490
  541   2HE   MET  74          2HE       MET  74   3.599   0.493   1.183
  542   3HE   MET  74          3HE       MET  74   2.551   1.467   0.144
  543    H    SER  75           H        SER  75   6.621  -0.939   4.497
  544    HA   SER  75           HA       SER  75   8.473  -0.620   6.724
  545   1HB   SER  75          1HB       SER  75   5.961   0.767   6.896
  546   2HB   SER  75          2HB       SER  75   5.961  -0.514   8.123
  547    HG   SER  75           HG       SER  75   6.995   1.688   8.539
  548    H    LYS  76           H        LYS  76   5.196  -1.981   6.726
  549    HA   LYS  76           HA       LYS  76   5.372  -4.570   6.077
  550   1HB   LYS  76          1HB       LYS  76   5.770  -5.730   8.194
  551   2HB   LYS  76          2HB       LYS  76   7.224  -5.098   7.482
  552   1HG   LYS  76          1HG       LYS  76   6.888  -3.061   9.128
  553   2HG   LYS  76          2HG       LYS  76   5.699  -4.079   9.927
  554   1HD   LYS  76          1HD       LYS  76   8.606  -4.868   9.372
  555   2HD   LYS  76          2HD       LYS  76   8.097  -4.038  10.836
  556   1HE   LYS  76          1HE       LYS  76   6.333  -6.296  10.532
  557   2HE   LYS  76          2HE       LYS  76   7.955  -6.887  10.173
  558   1HZ   LYS  76          1HZ       LYS  76   8.682  -5.978  12.288
  559   2HZ   LYS  76          2HZ       LYS  76   7.171  -5.415  12.612
  560   3HZ   LYS  76          3HZ       LYS  76   7.443  -7.034  12.522
  561    H    ALA  77           H        ALA  77   3.390  -2.707   6.047
  562    HA   ALA  77           HA       ALA  77   1.279  -4.137   7.330
  563   1HB   ALA  77          1HB       ALA  77   1.985  -2.902   9.316
  564   2HB   ALA  77          2HB       ALA  77   1.705  -1.367   8.495
  565   3HB   ALA  77          3HB       ALA  77   0.363  -2.489   8.798
  566    H    LYS  78           H        LYS  78   1.126  -0.662   6.697
  567    HA   LYS  78           HA       LYS  78  -1.121  -1.205   4.923
  568   1HB   LYS  78          1HB       LYS  78  -1.812   1.007   5.328
  569   2HB   LYS  78          2HB       LYS  78  -1.208   0.342   6.836
  570   1HG   LYS  78          1HG       LYS  78   0.016   2.150   7.107
  571   2HG   LYS  78          2HG       LYS  78   1.047   1.550   5.821
  572   1HD   LYS  78          1HD       LYS  78  -1.380   3.075   4.939
  573   2HD   LYS  78          2HD       LYS  78  -0.208   3.982   5.885
  574   1HE   LYS  78          1HE       LYS  78   1.174   2.433   3.826
  575   2HE   LYS  78          2HE       LYS  78  -0.108   3.301   3.087
  576   1HZ   LYS  78          1HZ       LYS  78   0.803   5.360   3.920
  577   2HZ   LYS  78          2HZ       LYS  78   1.885   4.587   4.859
  578   3HZ   LYS  78          3HZ       LYS  78   2.022   4.518   3.245
  579    HHA  HEC  90           HHA      HEC  90  -5.958   4.064   3.175
  580    HHB  HEC  90           HHB      HEC  90  -1.404  -0.013   1.054
  581    HHC  HEC  90           HHC      HEC  90  -1.697   2.821  -4.754
  582    HHD  HEC  90           HHD      HEC  90  -5.513   7.387  -2.276
  583   1HMA  HEC  90          1HMA      HEC  90  -3.936  -1.109   2.834
  584   2HMA  HEC  90          2HMA      HEC  90  -2.199  -0.797   2.918
  585   3HMA  HEC  90          3HMA      HEC  90  -3.241  -0.410   4.303
  586   1HAA  HEC  90          1HAA      HEC  90  -5.238   2.820   4.822
  587   2HAA  HEC  90          2HAA      HEC  90  -4.301   1.405   5.245
  588   1HBA  HEC  90          1HBA      HEC  90  -5.972  -0.108   4.420
  589   2HBA  HEC  90          2HBA      HEC  90  -6.852   1.183   3.612
  590   1HMB  HEC  90          1HMB      HEC  90  -0.189  -1.525  -1.038
  591   2HMB  HEC  90          2HMB      HEC  90   1.174  -0.591  -1.674
  592   3HMB  HEC  90          3HMB      HEC  90   0.606  -0.280  -0.059
  593    HAB  HEC  90           HAB      HEC  90  -0.308   1.284  -4.888
  594   1HBB  HEC  90          1HBB      HEC  90  -1.045  -1.077  -4.603
  595   2HBB  HEC  90          2HBB      HEC  90   0.555  -0.881  -5.334
  596   3HBB  HEC  90          3HBB      HEC  90   0.415  -1.384  -3.643
  597   1HMC  HEC  90          1HMC      HEC  90  -3.678   4.941  -6.836
  598   2HMC  HEC  90          2HMC      HEC  90  -2.201   5.845  -6.411
  599   3HMC  HEC  90          3HMC      HEC  90  -2.242   4.086  -6.359
  600    HAC  HEC  90           HAC      HEC  90  -5.730   7.358  -4.450
  601   1HBC  HEC  90          1HBC      HEC  90  -5.398   6.338  -6.644
  602   2HBC  HEC  90          2HBC      HEC  90  -5.464   8.111  -6.646
  603   3HBC  HEC  90          3HBC      HEC  90  -3.896   7.318  -6.811
  604   1HMD  HEC  90          1HMD      HEC  90  -7.527   8.030  -0.945
  605   2HMD  HEC  90          2HMD      HEC  90  -7.463   8.535   0.749
  606   3HMD  HEC  90          3HMD      HEC  90  -6.125   8.910  -0.333
  607   1HAD  HEC  90          1HAD      HEC  90  -7.075   7.567   2.798
  608   2HAD  HEC  90          2HAD      HEC  90  -7.145   5.942   3.436
  609   1HBD  HEC  90          1HBD      HEC  90  -9.249   5.559   2.589
  610   2HBD  HEC  90          2HBD      HEC  90  -8.907   6.395   1.065
  Start of MODEL   13
    1   1H    ALA  -3          1H        ALA  -3   3.789   0.310 -16.576
    2   2H    ALA  -3          2H        ALA  -3   4.985   1.467 -16.631
    3   3H    ALA  -3          3H        ALA  -3   5.106   0.059 -17.500
    4    HA   ALA  -3           HA       ALA  -3   6.531  -0.193 -15.707
    5   1HB   ALA  -3          1HB       ALA  -3   5.303   1.540 -14.258
    6   2HB   ALA  -3          2HB       ALA  -3   4.182   0.212 -13.858
    7   3HB   ALA  -3          3HB       ALA  -3   5.902   0.085 -13.441
    8    H    ASP  -2           H        ASP  -2   6.194  -2.088 -13.917
    9    HA   ASP  -2           HA       ASP  -2   4.836  -4.327 -15.311
   10   1HB   ASP  -2          1HB       ASP  -2   7.834  -3.738 -15.071
   11   2HB   ASP  -2          2HB       ASP  -2   7.116  -5.183 -15.786
   12    H    LEU  -1           H        LEU  -1   4.361  -5.900 -13.855
   13    HA   LEU  -1           HA       LEU  -1   5.019  -5.546 -11.096
   14   1HB   LEU  -1          1HB       LEU  -1   3.510  -7.195 -10.560
   15   2HB   LEU  -1          2HB       LEU  -1   2.878  -6.135 -11.799
   16    HG   LEU  -1           HG       LEU  -1   2.059  -7.976 -12.691
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.579  -7.563 -14.468
   18   2HD1  LEU  -1          2HD1      LEU  -1   4.875  -8.496 -13.681
   19   3HD1  LEU  -1          3HD1      LEU  -1   3.409  -9.300 -14.246
   20   1HD2  LEU  -1          1HD2      LEU  -1   4.063  -9.780 -11.318
   21   2HD2  LEU  -1          2HD2      LEU  -1   2.484  -9.280 -10.697
   22   3HD2  LEU  -1          3HD2      LEU  -1   2.590 -10.244 -12.172
   23    H    GLN   1           H        GLN   1   7.432  -5.700 -11.867
   24    HA   GLN   1           HA       GLN   1   8.416  -8.495 -11.902
   25   1HB   GLN   1          1HB       GLN   1   9.051  -6.103 -13.343
   26   2HB   GLN   1          2HB       GLN   1  10.418  -6.378 -12.288
   27   1HG   GLN   1          1HG       GLN   1  11.193  -7.715 -13.906
   28   2HG   GLN   1          2HG       GLN   1  10.084  -8.931 -13.283
   29   1HE2  GLN   1          1HE2      GLN   1   9.281  -9.963 -15.151
   30   2HE2  GLN   1          2HE2      GLN   1   8.699  -9.058 -16.547
   31    H    ASP   2           H        ASP   2   8.288  -5.892  -9.670
   32    HA   ASP   2           HA       ASP   2  10.154  -7.134  -7.794
   33   1HB   ASP   2          1HB       ASP   2  11.501  -5.573  -9.227
   34   2HB   ASP   2          2HB       ASP   2  10.356  -4.269  -8.879
   35    H    ALA   3           H        ALA   3  10.003  -5.235  -5.935
   36    HA   ALA   3           HA       ALA   3   7.116  -4.675  -5.304
   37   1HB   ALA   3          1HB       ALA   3   8.339  -6.121  -3.814
   38   2HB   ALA   3          2HB       ALA   3   9.670  -4.958  -3.650
   39   3HB   ALA   3          3HB       ALA   3   8.079  -4.567  -2.987
   40    H    GLU   4           H        GLU   4  10.386  -3.131  -5.327
   41    HA   GLU   4           HA       GLU   4   9.444  -0.639  -4.406
   42   1HB   GLU   4          1HB       GLU   4  11.750  -1.081  -4.291
   43   2HB   GLU   4          2HB       GLU   4  11.904  -1.288  -6.043
   44   1HG   GLU   4          1HG       GLU   4  11.933   0.994  -6.416
   45   2HG   GLU   4          2HG       GLU   4  10.688   1.327  -5.209
   46    H    ALA   5           H        ALA   5   9.848  -1.802  -7.765
   47    HA   ALA   5           HA       ALA   5   9.042   0.676  -8.985
   48   1HB   ALA   5          1HB       ALA   5  10.292  -1.070 -10.175
   49   2HB   ALA   5          2HB       ALA   5   8.892  -2.162 -10.071
   50   3HB   ALA   5          3HB       ALA   5   8.785  -0.666 -11.024
   51    H    ILE   6           H        ILE   6   7.239  -1.996  -7.623
   52    HA   ILE   6           HA       ILE   6   4.698  -1.457  -8.920
   53    HB   ILE   6           HB       ILE   6   5.667  -3.166  -6.625
   54   1HG1  ILE   6          1HG1      ILE   6   4.929  -4.985  -7.982
   55   2HG1  ILE   6          2HG1      ILE   6   4.141  -3.915  -9.146
   56   1HG2  ILE   6          1HG2      ILE   6   3.525  -2.412  -5.780
   57   2HG2  ILE   6          2HG2      ILE   6   2.778  -2.613  -7.376
   58   3HG2  ILE   6          3HG2      ILE   6   3.299  -4.033  -6.440
   59   1HD1  ILE   6          1HD1      ILE   6   6.212  -3.184 -10.057
   60   2HD1  ILE   6          2HD1      ILE   6   7.141  -3.737  -8.645
   61   3HD1  ILE   6          3HD1      ILE   6   6.476  -4.910  -9.747
   62    H    TYR   7           H        TYR   7   6.039  -0.771  -5.585
   63    HA   TYR   7           HA       TYR   7   3.746   0.904  -5.134
   64   1HB   TYR   7          1HB       TYR   7   4.455   1.366  -3.034
   65   2HB   TYR   7          2HB       TYR   7   5.278  -0.151  -3.325
   66    HD1  TYR   7           HD1      TYR   7   5.615   3.571  -3.174
   67    HD2  TYR   7           HD2      TYR   7   7.672  -0.206  -3.101
   68    HE1  TYR   7           HE1      TYR   7   7.785   4.756  -2.916
   69    HE2  TYR   7           HE2      TYR   7   9.848   0.996  -2.876
   70    HH   TYR   7           HH       TYR   7  10.901   3.034  -3.074
   71    H    ASN   8           H        ASN   8   6.998   1.653  -6.234
   72    HA   ASN   8           HA       ASN   8   6.776   4.457  -6.257
   73   1HB   ASN   8          1HB       ASN   8   8.850   3.084  -6.208
   74   2HB   ASN   8          2HB       ASN   8   8.555   2.629  -7.899
   75   1HD2  ASN   8          1HD2      ASN   8  10.448   3.531  -8.726
   76   2HD2  ASN   8          2HD2      ASN   8  10.749   5.264  -8.670
   77    H    LYS   9           H        LYS   9   5.647   2.102  -8.683
   78    HA   LYS   9           HA       LYS   9   4.849   4.352 -10.451
   79   1HB   LYS   9          1HB       LYS   9   4.416   2.878 -12.101
   80   2HB   LYS   9          2HB       LYS   9   5.795   2.164 -11.285
   81   1HG   LYS   9          1HG       LYS   9   4.568   0.276 -11.432
   82   2HG   LYS   9          2HG       LYS   9   3.816   0.842  -9.960
   83   1HD   LYS   9          1HD       LYS   9   1.917   1.800 -11.241
   84   2HD   LYS   9          2HD       LYS   9   2.738   1.479 -12.764
   85   1HE   LYS   9          1HE       LYS   9   2.710  -1.013 -12.159
   86   2HE   LYS   9          2HE       LYS   9   1.748  -0.579 -10.750
   87   1HZ   LYS   9          1HZ       LYS   9   0.084   0.338 -12.319
   88   2HZ   LYS   9          2HZ       LYS   9   0.993  -0.180 -13.585
   89   3HZ   LYS   9          3HZ       LYS   9   0.333  -1.269 -12.559
   90    H    ALA  10           H        ALA  10   3.403   2.361  -7.941
   91    HA   ALA  10           HA       ALA  10   0.641   3.097  -8.851
   92   1HB   ALA  10          1HB       ALA  10   1.200   0.686  -8.672
   93   2HB   ALA  10          2HB       ALA  10   1.467   0.895  -6.932
   94   3HB   ALA  10          3HB       ALA  10  -0.131   1.195  -7.616
   95    H    CYS  11           H        CYS  11   2.274   2.521  -5.681
   96    HA   CYS  11           HA       CYS  11   0.355   4.248  -4.302
   97   1HB   CYS  11          1HB       CYS  11   2.740   3.214  -2.896
   98   2HB   CYS  11          2HB       CYS  11   1.053   3.231  -2.402
   99    H    THR  12           H        THR  12   1.697   5.654  -6.247
  100    HA   THR  12           HA       THR  12   3.708   7.369  -4.874
  101    HB   THR  12           HB       THR  12   4.545   5.654  -6.591
  102    HG1  THR  12           HG1      THR  12   4.929   8.293  -7.407
  103   1HG2  THR  12          1HG2      THR  12   2.613   5.938  -8.204
  104   2HG2  THR  12          2HG2      THR  12   3.156   7.588  -8.554
  105   3HG2  THR  12          3HG2      THR  12   4.167   6.237  -8.988
  106    H    VAL  13           H        VAL  13   0.709   7.384  -6.186
  107    HA   VAL  13           HA       VAL  13   0.924  10.053  -7.463
  108    HB   VAL  13           HB       VAL  13  -1.493   8.202  -7.241
  109   1HG1  VAL  13          1HG1      VAL  13  -1.882  10.558  -7.870
  110   2HG1  VAL  13          2HG1      VAL  13  -0.652  10.409  -9.148
  111   3HG1  VAL  13          3HG1      VAL  13  -2.170   9.477  -9.255
  112   1HG2  VAL  13          1HG2      VAL  13   0.666   8.247  -9.399
  113   2HG2  VAL  13          2HG2      VAL  13   0.242   6.871  -8.360
  114   3HG2  VAL  13          3HG2      VAL  13  -0.912   7.449  -9.557
  115    H    CYS  14           H        CYS  14  -0.627   8.270  -4.875
  116    HA   CYS  14           HA       CYS  14  -1.823  10.671  -3.668
  117   1HB   CYS  14          1HB       CYS  14  -2.210   7.718  -3.288
  118   2HB   CYS  14          2HB       CYS  14  -3.250   8.999  -2.612
  119    H    HIS  15           H        HIS  15  -0.022   7.760  -2.626
  120    HA   HIS  15           HA       HIS  15   0.301   8.677   0.093
  121   1HB   HIS  15          1HB       HIS  15   1.448   6.403  -1.585
  122   2HB   HIS  15          2HB       HIS  15   1.864   6.631   0.105
  123    HD1  HIS  15           HD1      HIS  15   0.531   5.384   1.701
  124    HD2  HIS  15           HD2      HIS  15  -1.398   5.981  -1.964
  125    HE1  HIS  15           HE1      HIS  15  -1.459   3.793   1.684
  126    H    SER  16           H        SER  16   2.221   9.221  -2.723
  127    HA   SER  16           HA       SER  16   4.819   9.537  -1.479
  128   1HB   SER  16          1HB       SER  16   3.579  10.334  -4.115
  129   2HB   SER  16          2HB       SER  16   5.113  11.072  -3.630
  130    HG   SER  16           HG       SER  16   5.338   9.038  -4.811
  131    H    MET  17           H        MET  17   2.299  11.841  -2.448
  132    HA   MET  17           HA       MET  17   3.595  14.051  -0.956
  133   1HB   MET  17          1HB       MET  17   2.709  13.994  -3.455
  134   2HB   MET  17          2HB       MET  17   1.140  14.241  -2.693
  135   1HG   MET  17          1HG       MET  17   1.769  16.378  -3.139
  136   2HG   MET  17          2HG       MET  17   2.410  16.275  -1.496
  137   1HE   MET  17          1HE       MET  17   2.966  17.988  -4.485
  138   2HE   MET  17          2HE       MET  17   3.427  18.645  -2.890
  139   3HE   MET  17          3HE       MET  17   4.648  18.470  -4.180
  140    H    GLY  18           H        GLY  18   0.671  12.042  -0.995
  141   1HA   GLY  18          1HA       GLY  18  -0.776  11.635   0.792
  142   2HA   GLY  18          2HA       GLY  18  -0.334  13.140   1.569
  143    H    VAL  19           H        VAL  19  -1.717  12.054  -1.579
  144    HA   VAL  19           HA       VAL  19  -3.593  14.364  -1.614
  145    HB   VAL  19           HB       VAL  19  -3.060  12.380  -3.848
  146   1HG1  VAL  19          1HG1      VAL  19  -5.148  13.527  -4.203
  147   2HG1  VAL  19          2HG1      VAL  19  -4.409  15.098  -3.801
  148   3HG1  VAL  19          3HG1      VAL  19  -3.939  14.224  -5.270
  149   1HG2  VAL  19          1HG2      VAL  19  -1.783  15.096  -3.312
  150   2HG2  VAL  19          2HG2      VAL  19  -0.953  13.520  -3.349
  151   3HG2  VAL  19          3HG2      VAL  19  -1.639  14.182  -4.832
  152    H    ALA  20           H        ALA  20  -5.803  14.020  -2.081
  153    HA   ALA  20           HA       ALA  20  -7.875  13.203  -1.540
  154   1HB   ALA  20          1HB       ALA  20  -7.359  11.766  -3.466
  155   2HB   ALA  20          2HB       ALA  20  -6.650  10.549  -2.385
  156   3HB   ALA  20          3HB       ALA  20  -8.381  10.924  -2.287
  157    H    GLY  21           H        GLY  21  -5.739  13.158   0.589
  158   1HA   GLY  21          1HA       GLY  21  -5.727  12.749   2.865
  159   2HA   GLY  21          2HA       GLY  21  -7.212  11.803   2.726
  160    H    ALA  22           H        ALA  22  -4.491  10.954   0.609
  161    HA   ALA  22           HA       ALA  22  -4.379   8.360   1.699
  162   1HB   ALA  22          1HB       ALA  22  -3.878   8.773  -0.618
  163   2HB   ALA  22          2HB       ALA  22  -2.480   9.773  -0.198
  164   3HB   ALA  22          3HB       ALA  22  -2.465   8.027   0.122
  165    HA   PRO  23           HA       PRO  23  -1.458   8.793   5.070
  166   1HB   PRO  23          1HB       PRO  23  -0.739   6.246   5.404
  167   2HB   PRO  23          2HB       PRO  23  -2.441   6.786   5.672
  168   1HG   PRO  23          1HG       PRO  23  -1.235   5.496   3.256
  169   2HG   PRO  23          2HG       PRO  23  -2.753   4.995   4.044
  170   1HD   PRO  23          1HD       PRO  23  -2.867   6.568   1.901
  171   2HD   PRO  23          2HD       PRO  23  -3.953   6.827   3.302
  172    H    LYS  24           H        LYS  24   0.779   8.871   5.465
  173    HA   LYS  24           HA       LYS  24   2.156   9.448   2.984
  174   1HB   LYS  24          1HB       LYS  24   2.229  10.540   5.436
  175   2HB   LYS  24          2HB       LYS  24   3.715   9.569   5.525
  176   1HG   LYS  24          1HG       LYS  24   4.521  10.735   3.450
  177   2HG   LYS  24          2HG       LYS  24   2.979  11.605   3.384
  178   1HD   LYS  24          1HD       LYS  24   3.717  12.156   5.971
  179   2HD   LYS  24          2HD       LYS  24   5.314  11.975   5.243
  180   1HE   LYS  24          1HE       LYS  24   4.686  13.686   3.510
  181   2HE   LYS  24          2HE       LYS  24   3.062  13.794   4.207
  182   1HZ   LYS  24          1HZ       LYS  24   4.044  14.588   6.253
  183   2HZ   LYS  24          2HZ       LYS  24   5.553  14.528   5.601
  184   3HZ   LYS  24          3HZ       LYS  24   4.432  15.573   4.997
  185    H    SER  25           H        SER  25   3.644   8.345   1.894
  186    HA   SER  25           HA       SER  25   4.190   5.691   2.060
  187   1HB   SER  25          1HB       SER  25   4.947   7.614   0.357
  188   2HB   SER  25          2HB       SER  25   6.499   7.416   1.190
  189    HG   SER  25           HG       SER  25   6.019   5.985  -0.692
  190    H    HIS  26           H        HIS  26   5.779   8.125   3.995
  191    HA   HIS  26           HA       HIS  26   7.082   6.057   5.660
  192   1HB   HIS  26          1HB       HIS  26   8.978   7.540   6.082
  193   2HB   HIS  26          2HB       HIS  26   8.903   7.008   4.404
  194    HD1  HIS  26           HD1      HIS  26   8.222   8.921   2.573
  195    HD2  HIS  26           HD2      HIS  26   8.822  10.186   6.539
  196    HE1  HIS  26           HE1      HIS  26   8.360  11.473   2.516
  197    H    ASN  27           H        ASN  27   5.583   6.086   7.290
  198    HA   ASN  27           HA       ASN  27   5.525   8.501   8.964
  199   1HB   ASN  27          1HB       ASN  27   3.164   7.252   7.558
  200   2HB   ASN  27          2HB       ASN  27   2.999   7.485   9.302
  201   1HD2  ASN  27          1HD2      ASN  27   1.147   8.770   7.598
  202   2HD2  ASN  27          2HD2      ASN  27   1.569  10.468   7.666
  203    H    THR  28           H        THR  28   5.086   7.869  11.217
  204    HA   THR  28           HA       THR  28   5.515   4.915  11.733
  205    HB   THR  28           HB       THR  28   5.946   7.313  13.550
  206    HG1  THR  28           HG1      THR  28   7.866   5.685  12.258
  207   1HG2  THR  28          1HG2      THR  28   5.542   5.270  14.862
  208   2HG2  THR  28          2HG2      THR  28   6.698   4.367  13.854
  209   3HG2  THR  28          3HG2      THR  28   7.263   5.688  14.898
  210    H    ALA  29           H        ALA  29   3.464   7.724  12.607
  211    HA   ALA  29           HA       ALA  29   1.780   6.122  14.374
  212   1HB   ALA  29          1HB       ALA  29   2.374   8.435  14.857
  213   2HB   ALA  29          2HB       ALA  29   1.529   8.973  13.379
  214   3HB   ALA  29          3HB       ALA  29   0.614   8.222  14.710
  215    H    ASP  30           H        ASP  30   1.781   6.764  11.017
  216    HA   ASP  30           HA       ASP  30  -1.077   6.277  10.566
  217   1HB   ASP  30          1HB       ASP  30   0.629   7.883   9.409
  218   2HB   ASP  30          2HB       ASP  30   1.176   6.429   8.525
  219    H    TRP  31           H        TRP  31   1.965   4.565  10.732
  220    HA   TRP  31           HA       TRP  31   0.919   2.086   9.478
  221   1HB   TRP  31          1HB       TRP  31   3.706   2.984  10.231
  222   2HB   TRP  31          2HB       TRP  31   3.293   1.431   9.500
  223    HD1  TRP  31           HD1      TRP  31   3.174   5.199   8.619
  224    HE1  TRP  31           HE1      TRP  31   3.202   5.563   6.101
  225    HE3  TRP  31           HE3      TRP  31   3.212   0.297   7.137
  226    HZ2  TRP  31           HZ2      TRP  31   3.195   3.973   3.777
  227    HZ3  TRP  31           HZ3      TRP  31   3.572  -0.182   4.729
  228    HH2  TRP  31           HH2      TRP  31   3.196   1.591   3.078
  229    H    GLU  32           H        GLU  32   2.096   3.346  12.665
  230    HA   GLU  32           HA       GLU  32   2.016   1.040  14.180
  231   1HB   GLU  32          1HB       GLU  32   2.746   3.114  15.033
  232   2HB   GLU  32          2HB       GLU  32   1.161   3.862  14.862
  233   1HG   GLU  32          1HG       GLU  32   1.085   1.398  16.535
  234   2HG   GLU  32          2HG       GLU  32   2.196   2.619  17.146
  235    HA   PRO  33           HA       PRO  33  -2.694   1.037  14.831
  236   1HB   PRO  33          1HB       PRO  33  -4.430   2.554  13.378
  237   2HB   PRO  33          2HB       PRO  33  -3.491   3.216  14.741
  238   1HG   PRO  33          1HG       PRO  33  -2.717   3.342  11.799
  239   2HG   PRO  33          2HG       PRO  33  -2.897   4.711  12.938
  240   1HD   PRO  33          1HD       PRO  33  -0.498   3.624  12.530
  241   2HD   PRO  33          2HD       PRO  33  -1.007   4.034  14.190
  242    H    ARG  34           H        ARG  34  -0.964   0.227  12.265
  243    HA   ARG  34           HA       ARG  34  -3.050  -1.487  11.005
  244   1HB   ARG  34          1HB       ARG  34  -0.513  -0.345   9.776
  245   2HB   ARG  34          2HB       ARG  34  -1.743  -1.294   8.953
  246   1HG   ARG  34          1HG       ARG  34  -2.211   1.472  10.218
  247   2HG   ARG  34          2HG       ARG  34  -1.818   1.229   8.561
  248   1HD   ARG  34          1HD       ARG  34  -3.954   0.829   8.002
  249   2HD   ARG  34          2HD       ARG  34  -4.008  -0.532   9.134
  250    HE   ARG  34           HE       ARG  34  -4.243   1.829  10.655
  251   1HH1  ARG  34          2HH1      ARG  34  -6.310   0.345   8.218
  252   2HH1  ARG  34          1HH1      ARG  34  -7.679   0.235   9.267
  253   1HH2  ARG  34          1HH2      ARG  34  -6.148   2.151  11.776
  254   2HH2  ARG  34          2HH2      ARG  34  -7.659   1.565  11.130
  255    H    LEU  35           H        LEU  35   0.394  -1.170  11.950
  256    HA   LEU  35           HA       LEU  35   1.069  -3.949  12.089
  257   1HB   LEU  35          1HB       LEU  35   2.168  -1.319  12.879
  258   2HB   LEU  35          2HB       LEU  35   2.554  -2.534  14.069
  259    HG   LEU  35           HG       LEU  35   2.971  -3.297  11.204
  260   1HD1  LEU  35          1HD1      LEU  35   3.853  -0.984  11.331
  261   2HD1  LEU  35          2HD1      LEU  35   4.858  -1.451  12.717
  262   3HD1  LEU  35          3HD1      LEU  35   5.144  -2.184  11.119
  263   1HD2  LEU  35          1HD2      LEU  35   4.626  -3.740  13.721
  264   2HD2  LEU  35          2HD2      LEU  35   3.415  -4.874  13.083
  265   3HD2  LEU  35          3HD2      LEU  35   4.871  -4.505  12.137
  266    H    ALA  36           H        ALA  36  -1.430  -2.695  13.679
  267    HA   ALA  36           HA       ALA  36  -1.008  -3.867  16.340
  268   1HB   ALA  36          1HB       ALA  36  -2.215  -1.721  16.144
  269   2HB   ALA  36          2HB       ALA  36  -3.409  -2.478  15.067
  270   3HB   ALA  36          3HB       ALA  36  -3.282  -3.000  16.761
  271    H    LYS  37           H        LYS  37  -2.366  -4.516  13.163
  272    HA   LYS  37           HA       LYS  37  -3.705  -6.990  14.089
  273   1HB   LYS  37          1HB       LYS  37  -3.582  -5.571  11.407
  274   2HB   LYS  37          2HB       LYS  37  -4.383  -7.130  11.664
  275   1HG   LYS  37          1HG       LYS  37  -5.134  -4.600  13.189
  276   2HG   LYS  37          2HG       LYS  37  -5.857  -5.079  11.649
  277   1HD   LYS  37          1HD       LYS  37  -6.495  -7.297  12.692
  278   2HD   LYS  37          2HD       LYS  37  -5.948  -6.663  14.259
  279   1HE   LYS  37          1HE       LYS  37  -7.566  -4.757  14.018
  280   2HE   LYS  37          2HE       LYS  37  -8.127  -5.442  12.485
  281   1HZ   LYS  37          1HZ       LYS  37  -8.829  -7.412  13.704
  282   2HZ   LYS  37          2HZ       LYS  37  -8.329  -6.753  15.125
  283   3HZ   LYS  37          3HZ       LYS  37  -9.569  -6.068  14.294
  284    H    GLY  38           H        GLY  38  -1.317  -6.003  11.603
  285   1HA   GLY  38          1HA       GLY  38   0.904  -7.307  12.193
  286   2HA   GLY  38          2HA       GLY  38  -0.042  -8.705  11.665
  287    H    VAL  39           H        VAL  39   0.096  -9.217   9.544
  288    HA   VAL  39           HA       VAL  39   0.399  -7.111   7.505
  289    HB   VAL  39           HB       VAL  39   1.808  -9.037   6.255
  290   1HG1  VAL  39          1HG1      VAL  39   2.389  -6.692   6.560
  291   2HG1  VAL  39          2HG1      VAL  39   2.950  -7.066   8.208
  292   3HG1  VAL  39          3HG1      VAL  39   3.779  -7.777   6.780
  293   1HG2  VAL  39          1HG2      VAL  39   2.734  -9.435   9.122
  294   2HG2  VAL  39          2HG2      VAL  39   1.799 -10.619   8.171
  295   3HG2  VAL  39          3HG2      VAL  39   3.420 -10.130   7.644
  296    H    ASP  40           H        ASP  40   0.129  -8.232   5.289
  297    HA   ASP  40           HA       ASP  40  -1.323  -8.993   3.834
  298   1HB   ASP  40          1HB       ASP  40  -1.901 -11.211   5.801
  299   2HB   ASP  40          2HB       ASP  40  -2.100 -11.252   4.050
  300    H    ASN  41           H        ASN  41  -2.750  -8.343   6.977
  301    HA   ASN  41           HA       ASN  41  -5.465  -8.249   6.282
  302   1HB   ASN  41          1HB       ASN  41  -4.654  -6.070   8.125
  303   2HB   ASN  41          2HB       ASN  41  -5.787  -7.361   8.413
  304   1HD2  ASN  41          1HD2      ASN  41  -2.523  -6.211   8.920
  305   2HD2  ASN  41          2HD2      ASN  41  -2.122  -7.506  10.031
  306    H    LEU  42           H        LEU  42  -2.998  -5.891   5.593
  307    HA   LEU  42           HA       LEU  42  -5.034  -3.894   4.686
  308   1HB   LEU  42          1HB       LEU  42  -2.065  -3.767   5.248
  309   2HB   LEU  42          2HB       LEU  42  -2.920  -2.513   4.373
  310    HG   LEU  42           HG       LEU  42  -2.639  -1.867   6.686
  311   1HD1  LEU  42          1HD1      LEU  42  -4.556  -0.978   5.563
  312   2HD1  LEU  42          2HD1      LEU  42  -5.570  -2.349   6.065
  313   3HD1  LEU  42          3HD1      LEU  42  -4.911  -1.257   7.268
  314   1HD2  LEU  42          1HD2      LEU  42  -4.527  -3.945   7.684
  315   2HD2  LEU  42          2HD2      LEU  42  -2.771  -4.281   7.604
  316   3HD2  LEU  42          3HD2      LEU  42  -3.372  -2.928   8.570
  317    H    VAL  43           H        VAL  43  -2.371  -5.911   3.424
  318    HA   VAL  43           HA       VAL  43  -2.490  -4.962   0.770
  319    HB   VAL  43           HB       VAL  43  -0.859  -6.665   1.947
  320   1HG1  VAL  43          1HG1      VAL  43  -2.616  -8.506   2.052
  321   2HG1  VAL  43          2HG1      VAL  43  -2.542  -8.598   0.293
  322   3HG1  VAL  43          3HG1      VAL  43  -1.101  -8.951   1.264
  323   1HG2  VAL  43          1HG2      VAL  43  -1.501  -6.825  -1.027
  324   2HG2  VAL  43          2HG2      VAL  43  -0.453  -5.614  -0.257
  325   3HG2  VAL  43          3HG2      VAL  43   0.008  -7.323  -0.241
  326    H    LYS  44           H        LYS  44  -4.594  -7.312   2.531
  327    HA   LYS  44           HA       LYS  44  -6.179  -7.893   0.291
  328   1HB   LYS  44          1HB       LYS  44  -8.056  -8.344   1.835
  329   2HB   LYS  44          2HB       LYS  44  -6.560  -9.243   2.139
  330   1HG   LYS  44          1HG       LYS  44  -6.119  -8.209   4.080
  331   2HG   LYS  44          2HG       LYS  44  -6.804  -6.663   3.581
  332   1HD   LYS  44          1HD       LYS  44  -8.723  -8.923   4.011
  333   2HD   LYS  44          2HD       LYS  44  -7.892  -8.280   5.445
  334   1HE   LYS  44          1HE       LYS  44  -8.572  -6.036   5.032
  335   2HE   LYS  44          2HE       LYS  44  -9.245  -6.431   3.441
  336   1HZ   LYS  44          1HZ       LYS  44 -10.914  -7.776   4.549
  337   2HZ   LYS  44          2HZ       LYS  44 -10.285  -7.416   6.025
  338   3HZ   LYS  44          3HZ       LYS  44 -10.965  -6.230   5.110
  339    H    SER  45           H        SER  45  -6.420  -4.954   2.407
  340    HA   SER  45           HA       SER  45  -8.901  -4.111   1.111
  341   1HB   SER  45          1HB       SER  45  -6.967  -2.605   2.875
  342   2HB   SER  45          2HB       SER  45  -8.544  -2.008   2.329
  343    HG   SER  45           HG       SER  45  -8.667  -2.993   4.400
  344    H    VAL  46           H        VAL  46  -5.431  -3.740   0.569
  345    HA   VAL  46           HA       VAL  46  -5.606  -1.728  -1.431
  346    HB   VAL  46           HB       VAL  46  -3.642  -3.899  -0.784
  347   1HG1  VAL  46          1HG1      VAL  46  -3.408  -3.714  -3.198
  348   2HG1  VAL  46          2HG1      VAL  46  -3.345  -1.940  -3.059
  349   3HG1  VAL  46          3HG1      VAL  46  -2.042  -2.934  -2.384
  350   1HG2  VAL  46          1HG2      VAL  46  -3.355  -0.927  -0.832
  351   2HG2  VAL  46          2HG2      VAL  46  -3.920  -1.828   0.603
  352   3HG2  VAL  46          3HG2      VAL  46  -2.287  -2.116  -0.035
  353    H    LYS  47           H        LYS  47  -5.530  -5.294  -1.772
  354    HA   LYS  47           HA       LYS  47  -6.066  -5.248  -4.538
  355   1HB   LYS  47          1HB       LYS  47  -5.989  -7.462  -4.497
  356   2HB   LYS  47          2HB       LYS  47  -5.270  -7.064  -2.937
  357   1HG   LYS  47          1HG       LYS  47  -7.868  -7.330  -2.163
  358   2HG   LYS  47          2HG       LYS  47  -7.949  -8.307  -3.618
  359   1HD   LYS  47          1HD       LYS  47  -5.609  -8.745  -1.763
  360   2HD   LYS  47          2HD       LYS  47  -7.195  -9.103  -1.081
  361   1HE   LYS  47          1HE       LYS  47  -6.304 -10.313  -3.721
  362   2HE   LYS  47          2HE       LYS  47  -5.949 -11.061  -2.159
  363   1HZ   LYS  47          1HZ       LYS  47  -8.291 -11.101  -1.669
  364   2HZ   LYS  47          2HZ       LYS  47  -8.666 -10.408  -3.110
  365   3HZ   LYS  47          3HZ       LYS  47  -8.004 -11.916  -3.067
  366    H    THR  48           H        THR  48  -8.253  -5.120  -1.800
  367    HA   THR  48           HA       THR  48 -10.666  -5.462  -3.329
  368    HB   THR  48           HB       THR  48 -10.061  -5.478  -0.643
  369    HG1  THR  48           HG1      THR  48 -12.377  -5.666  -0.475
  370   1HG2  THR  48          1HG2      THR  48 -10.388  -2.948  -0.458
  371   2HG2  THR  48          2HG2      THR  48 -12.057  -3.211  -0.989
  372   3HG2  THR  48          3HG2      THR  48 -11.475  -3.930   0.518
  373    H    GLY  49           H        GLY  49  -8.798  -2.520  -2.512
  374   1HA   GLY  49          1HA       GLY  49  -9.090  -0.379  -3.335
  375   2HA   GLY  49          2HA       GLY  49 -10.568  -0.833  -4.194
  376    H    LEU  50           H        LEU  50  -9.415   0.834  -1.619
  377    HA   LEU  50           HA       LEU  50 -11.776   0.690   0.111
  378   1HB   LEU  50          1HB       LEU  50  -9.273   1.235   0.669
  379   2HB   LEU  50          2HB       LEU  50  -9.659   2.841   0.099
  380    HG   LEU  50           HG       LEU  50 -11.776   2.227   1.893
  381   1HD1  LEU  50          1HD1      LEU  50 -10.593   0.159   2.616
  382   2HD1  LEU  50          2HD1      LEU  50  -9.166   1.132   3.038
  383   3HD1  LEU  50          3HD1      LEU  50 -10.686   1.361   3.920
  384   1HD2  LEU  50          1HD2      LEU  50  -9.119   3.584   2.523
  385   2HD2  LEU  50          2HD2      LEU  50 -10.494   4.294   1.656
  386   3HD2  LEU  50          3HD2      LEU  50 -10.671   3.833   3.364
  387    H    ASN  51           H        ASN  51 -12.078   3.669   0.423
  388    HA   ASN  51           HA       ASN  51 -14.162   3.918  -1.549
  389   1HB   ASN  51          1HB       ASN  51 -13.208   6.250   0.162
  390   2HB   ASN  51          2HB       ASN  51 -14.811   5.891  -0.459
  391   1HD2  ASN  51          1HD2      ASN  51 -12.462   5.435   2.086
  392   2HD2  ASN  51          2HD2      ASN  51 -13.336   4.187   2.957
  393    H    ALA  52           H        ALA  52 -11.521   6.190  -0.905
  394    HA   ALA  52           HA       ALA  52 -11.524   7.383  -3.555
  395   1HB   ALA  52          1HB       ALA  52 -10.927   8.647  -1.550
  396   2HB   ALA  52          2HB       ALA  52  -9.633   7.491  -1.187
  397   3HB   ALA  52          3HB       ALA  52  -9.507   8.549  -2.617
  398    H    MET  53           H        MET  53 -10.143   4.507  -2.240
  399    HA   MET  53           HA       MET  53  -7.823   4.561  -4.066
  400   1HB   MET  53          1HB       MET  53  -7.805   4.112  -1.560
  401   2HB   MET  53          2HB       MET  53  -8.408   2.498  -1.945
  402   1HG   MET  53          1HG       MET  53  -6.376   2.083  -3.323
  403   2HG   MET  53          2HG       MET  53  -5.913   3.775  -3.098
  404   1HE   MET  53          1HE       MET  53  -6.648   0.409  -1.128
  405   2HE   MET  53          2HE       MET  53  -5.113   0.401  -2.044
  406   3HE   MET  53          3HE       MET  53  -5.103   0.359  -0.260
  407    HA   PRO  54           HA       PRO  54 -10.379   2.010  -6.704
  408   1HB   PRO  54          1HB       PRO  54  -8.668   1.563  -8.831
  409   2HB   PRO  54          2HB       PRO  54  -9.472   3.125  -8.499
  410   1HG   PRO  54          1HG       PRO  54  -6.683   2.276  -7.708
  411   2HG   PRO  54          2HG       PRO  54  -7.170   3.793  -8.515
  412   1HD   PRO  54          1HD       PRO  54  -6.749   3.632  -5.833
  413   2HD   PRO  54          2HD       PRO  54  -8.060   4.663  -6.489
  414    HA   PRO  55           HA       PRO  55  -9.567  -2.167  -5.562
  415   1HB   PRO  55          1HB       PRO  55 -10.581  -3.642  -7.633
  416   2HB   PRO  55          2HB       PRO  55 -11.590  -2.733  -6.475
  417   1HG   PRO  55          1HG       PRO  55 -10.689  -1.834  -9.218
  418   2HG   PRO  55          2HG       PRO  55 -12.343  -1.787  -8.534
  419   1HD   PRO  55          1HD       PRO  55 -10.774   0.401  -8.513
  420   2HD   PRO  55          2HD       PRO  55 -11.776   0.018  -7.083
  421    H    GLY  56           H        GLY  56  -7.632  -3.235  -5.387
  422   1HA   GLY  56          1HA       GLY  56  -5.657  -4.227  -6.233
  423   2HA   GLY  56          2HA       GLY  56  -6.131  -3.767  -7.837
  424    H    GLY  57           H        GLY  57  -5.862  -1.747  -4.923
  425   1HA   GLY  57          1HA       GLY  57  -5.037   0.489  -4.888
  426   2HA   GLY  57          2HA       GLY  57  -3.611  -0.514  -4.637
  427    H    MET  58           H        MET  58  -5.479   0.553  -7.467
  428    HA   MET  58           HA       MET  58  -4.915   1.598  -9.386
  429   1HB   MET  58          1HB       MET  58  -3.381   2.922  -7.724
  430   2HB   MET  58          2HB       MET  58  -2.050   2.116  -8.560
  431   1HG   MET  58          1HG       MET  58  -4.242   3.703  -9.955
  432   2HG   MET  58          2HG       MET  58  -2.741   4.420  -9.373
  433   1HE   MET  58          1HE       MET  58  -4.068   4.441 -12.373
  434   2HE   MET  58          2HE       MET  58  -2.736   5.463 -11.775
  435   3HE   MET  58          3HE       MET  58  -2.531   4.512 -13.267
  436    H    CYS  59           H        CYS  59  -2.241  -0.515  -8.249
  437    HA   CYS  59           HA       CYS  59  -1.885  -1.596 -10.978
  438   1HB   CYS  59          1HB       CYS  59  -0.047  -2.754 -10.239
  439   2HB   CYS  59          2HB       CYS  59   0.019  -1.143  -9.529
  440    H    THR  60           H        THR  60  -3.926  -2.465 -11.417
  441    HA   THR  60           HA       THR  60  -5.219  -4.544  -9.979
  442    HB   THR  60           HB       THR  60  -6.203  -5.137 -12.160
  443    HG1  THR  60           HG1      THR  60  -5.308  -4.364 -14.006
  444   1HG2  THR  60          1HG2      THR  60  -6.960  -3.029 -10.901
  445   2HG2  THR  60          2HG2      THR  60  -5.927  -2.097 -12.004
  446   3HG2  THR  60          3HG2      THR  60  -7.284  -3.033 -12.647
  447    H    ASP  61           H        ASP  61  -2.840  -4.793 -12.616
  448    HA   ASP  61           HA       ASP  61  -2.367  -7.615 -12.324
  449   1HB   ASP  61          1HB       ASP  61  -0.701  -5.513 -13.771
  450   2HB   ASP  61          2HB       ASP  61  -0.709  -7.259 -14.056
  451    H    CYS  62           H        CYS  62  -2.092  -7.032  -9.895
  452    HA   CYS  62           HA       CYS  62   0.864  -7.247  -9.293
  453   1HB   CYS  62          1HB       CYS  62  -1.241  -5.583  -7.982
  454   2HB   CYS  62          2HB       CYS  62   0.070  -6.236  -6.999
  455    H    THR  63           H        THR  63   1.413  -9.137  -8.455
  456    HA   THR  63           HA       THR  63  -0.624 -11.004  -7.421
  457    HB   THR  63           HB       THR  63   2.371 -11.334  -7.849
  458    HG1  THR  63           HG1      THR  63   1.942 -11.889  -9.876
  459   1HG2  THR  63          1HG2      THR  63   1.343 -13.153  -6.502
  460   2HG2  THR  63          2HG2      THR  63   0.123 -13.388  -7.777
  461   3HG2  THR  63          3HG2      THR  63   1.836 -13.720  -8.103
  462    H    ASP  64           H        ASP  64  -0.659 -11.682  -5.182
  463    HA   ASP  64           HA       ASP  64   0.147 -10.137  -3.106
  464   1HB   ASP  64          1HB       ASP  64  -0.373 -13.057  -3.451
  465   2HB   ASP  64          2HB       ASP  64   0.101 -12.407  -1.882
  466    H    GLU  65           H        GLU  65   2.278 -12.594  -4.631
  467    HA   GLU  65           HA       GLU  65   4.518 -12.488  -2.968
  468   1HB   GLU  65          1HB       GLU  65   4.274 -12.566  -6.000
  469   2HB   GLU  65          2HB       GLU  65   5.777 -12.883  -5.137
  470   1HG   GLU  65          1HG       GLU  65   3.358 -14.499  -4.288
  471   2HG   GLU  65          2HG       GLU  65   4.102 -14.859  -5.850
  472    H    ASP  66           H        ASP  66   3.911 -10.262  -5.777
  473    HA   ASP  66           HA       ASP  66   6.124  -8.536  -5.125
  474   1HB   ASP  66          1HB       ASP  66   3.781  -8.118  -7.040
  475   2HB   ASP  66          2HB       ASP  66   5.386  -7.367  -7.118
  476    H    TYR  67           H        TYR  67   2.575  -8.490  -4.641
  477    HA   TYR  67           HA       TYR  67   2.328  -5.797  -3.811
  478   1HB   TYR  67          1HB       TYR  67   0.739  -8.259  -3.870
  479   2HB   TYR  67          2HB       TYR  67   0.415  -7.392  -2.398
  480    HD1  TYR  67           HD1      TYR  67   0.548  -4.515  -3.481
  481    HD2  TYR  67           HD2      TYR  67  -1.410  -8.131  -4.799
  482    HE1  TYR  67           HE1      TYR  67  -1.074  -3.181  -4.799
  483    HE2  TYR  67           HE2      TYR  67  -3.091  -6.763  -6.008
  484    HH   TYR  67           HH       TYR  67  -2.860  -4.095  -7.142
  485    H    LYS  68           H        LYS  68   2.707  -8.793  -1.897
  486    HA   LYS  68           HA       LYS  68   2.671  -7.595   0.651
  487   1HB   LYS  68          1HB       LYS  68   3.161  -9.489   1.603
  488   2HB   LYS  68          2HB       LYS  68   2.283  -9.983   0.168
  489   1HG   LYS  68          1HG       LYS  68   4.529 -10.464  -0.917
  490   2HG   LYS  68          2HG       LYS  68   5.315 -10.213   0.649
  491   1HD   LYS  68          1HD       LYS  68   3.038 -12.206   0.219
  492   2HD   LYS  68          2HD       LYS  68   4.715 -12.604  -0.115
  493   1HE   LYS  68          1HE       LYS  68   4.069 -13.409   2.099
  494   2HE   LYS  68          2HE       LYS  68   5.396 -12.246   2.176
  495   1HZ   LYS  68          1HZ       LYS  68   4.003 -10.610   3.011
  496   2HZ   LYS  68          2HZ       LYS  68   2.580 -11.423   2.741
  497   3HZ   LYS  68          3HZ       LYS  68   3.635 -11.929   3.881
  498    H    ALA  69           H        ALA  69   5.486  -8.583  -1.397
  499    HA   ALA  69           HA       ALA  69   7.501  -7.404   0.215
  500   1HB   ALA  69          1HB       ALA  69   7.981  -8.910  -1.605
  501   2HB   ALA  69          2HB       ALA  69   7.294  -7.787  -2.786
  502   3HB   ALA  69          3HB       ALA  69   8.791  -7.362  -1.904
  503    H    ALA  70           H        ALA  70   5.049  -5.799  -1.828
  504    HA   ALA  70           HA       ALA  70   6.637  -3.302  -2.084
  505   1HB   ALA  70          1HB       ALA  70   5.263  -4.097  -3.990
  506   2HB   ALA  70          2HB       ALA  70   3.802  -3.897  -3.002
  507   3HB   ALA  70          3HB       ALA  70   4.801  -2.496  -3.404
  508    H    ILE  71           H        ILE  71   3.993  -4.637  -0.064
  509    HA   ILE  71           HA       ILE  71   3.559  -2.037   1.172
  510    HB   ILE  71           HB       ILE  71   1.694  -3.361   0.841
  511   1HG1  ILE  71          1HG1      ILE  71   2.253  -2.323   3.008
  512   2HG1  ILE  71          2HG1      ILE  71   0.748  -3.287   2.863
  513   1HG2  ILE  71          1HG2      ILE  71   2.224  -5.566   0.544
  514   2HG2  ILE  71          2HG2      ILE  71   3.031  -5.734   2.133
  515   3HG2  ILE  71          3HG2      ILE  71   1.270  -5.561   1.984
  516   1HD1  ILE  71          1HD1      ILE  71   2.030  -5.180   4.031
  517   2HD1  ILE  71          2HD1      ILE  71   3.361  -4.047   4.256
  518   3HD1  ILE  71          3HD1      ILE  71   1.786  -3.742   5.011
  519    H    GLU  72           H        GLU  72   5.016  -5.163   2.014
  520    HA   GLU  72           HA       GLU  72   6.081  -4.535   4.531
  521   1HB   GLU  72          1HB       GLU  72   7.055  -6.479   2.417
  522   2HB   GLU  72          2HB       GLU  72   7.677  -6.416   4.064
  523   1HG   GLU  72          1HG       GLU  72   5.490  -6.953   5.005
  524   2HG   GLU  72          2HG       GLU  72   4.725  -6.904   3.425
  525    H    PHE  73           H        PHE  73   7.370  -3.711   1.320
  526    HA   PHE  73           HA       PHE  73   9.924  -2.796   1.927
  527   1HB   PHE  73          1HB       PHE  73   8.954  -2.832  -0.337
  528   2HB   PHE  73          2HB       PHE  73   7.849  -1.532   0.088
  529    HD1  PHE  73           HD1      PHE  73  11.319  -2.408  -0.769
  530    HD2  PHE  73           HD2      PHE  73   8.670   0.798   0.382
  531    HE1  PHE  73           HE1      PHE  73  13.039  -0.731  -1.420
  532    HE2  PHE  73           HE2      PHE  73  10.444   2.447  -0.144
  533    HZ   PHE  73           HZ       PHE  73  12.608   1.682  -1.089
  534    H    MET  74           H        MET  74   6.886  -0.802   2.127
  535    HA   MET  74           HA       MET  74   8.280   1.424   3.310
  536   1HB   MET  74          1HB       MET  74   5.371   0.603   3.232
  537   2HB   MET  74          2HB       MET  74   5.907   2.120   4.028
  538   1HG   MET  74          1HG       MET  74   5.329   2.944   1.945
  539   2HG   MET  74          2HG       MET  74   7.019   2.568   1.668
  540   1HE   MET  74          1HE       MET  74   3.496   0.331   1.368
  541   2HE   MET  74          2HE       MET  74   3.311   1.965   0.680
  542   3HE   MET  74          3HE       MET  74   3.392   0.552  -0.376
  543    H    SER  75           H        SER  75   6.069  -1.069   4.622
  544    HA   SER  75           HA       SER  75   7.630  -1.745   6.788
  545   1HB   SER  75          1HB       SER  75   6.713   0.724   7.508
  546   2HB   SER  75          2HB       SER  75   5.329  -0.235   8.009
  547    HG   SER  75           HG       SER  75   7.141   0.033   9.558
  548    H    LYS  76           H        LYS  76   6.899  -3.712   7.160
  549    HA   LYS  76           HA       LYS  76   4.647  -5.040   6.267
  550   1HB   LYS  76          1HB       LYS  76   5.126  -6.668   8.135
  551   2HB   LYS  76          2HB       LYS  76   6.449  -6.326   7.056
  552   1HG   LYS  76          1HG       LYS  76   6.213  -4.731   9.626
  553   2HG   LYS  76          2HG       LYS  76   6.617  -6.433   9.736
  554   1HD   LYS  76          1HD       LYS  76   8.743  -6.085   9.198
  555   2HD   LYS  76          2HD       LYS  76   8.290  -5.373   7.653
  556   1HE   LYS  76          1HE       LYS  76   7.859  -3.173   8.991
  557   2HE   LYS  76          2HE       LYS  76   8.692  -3.966  10.329
  558   1HZ   LYS  76          1HZ       LYS  76  10.602  -4.236   8.854
  559   2HZ   LYS  76          2HZ       LYS  76   9.804  -3.496   7.623
  560   3HZ   LYS  76          3HZ       LYS  76  10.190  -2.646   8.972
  561    H    ALA  77           H        ALA  77   3.075  -3.290   6.543
  562    HA   ALA  77           HA       ALA  77   1.212  -3.825   8.736
  563   1HB   ALA  77          1HB       ALA  77   3.068  -2.049   9.387
  564   2HB   ALA  77          2HB       ALA  77   2.069  -0.955   8.440
  565   3HB   ALA  77          3HB       ALA  77   1.366  -1.796   9.812
  566    H    LYS  78           H        LYS  78   1.786  -1.327   6.212
  567    HA   LYS  78           HA       LYS  78  -0.983  -1.604   5.256
  568   1HB   LYS  78          1HB       LYS  78  -1.817   0.301   6.197
  569   2HB   LYS  78          2HB       LYS  78  -0.577  -0.078   7.386
  570   1HG   LYS  78          1HG       LYS  78   0.156   2.030   7.124
  571   2HG   LYS  78          2HG       LYS  78   0.869   1.460   5.635
  572   1HD   LYS  78          1HD       LYS  78  -0.348   3.297   4.869
  573   2HD   LYS  78          2HD       LYS  78  -1.416   1.959   4.501
  574   1HE   LYS  78          1HE       LYS  78  -2.826   3.581   5.530
  575   2HE   LYS  78          2HE       LYS  78  -2.590   2.380   6.764
  576   1HZ   LYS  78          1HZ       LYS  78  -1.140   3.764   7.917
  577   2HZ   LYS  78          2HZ       LYS  78  -0.759   4.666   6.611
  578   3HZ   LYS  78          3HZ       LYS  78  -2.139   4.910   7.381
  579    HHA  HEC  90           HHA      HEC  90  -5.994   4.198   3.105
  580    HHB  HEC  90           HHB      HEC  90  -1.331   0.193   1.094
  581    HHC  HEC  90           HHC      HEC  90  -1.731   2.827  -4.788
  582    HHD  HEC  90           HHD      HEC  90  -5.377   7.551  -2.333
  583   1HMA  HEC  90          1HMA      HEC  90  -4.183  -0.776   3.256
  584   2HMA  HEC  90          2HMA      HEC  90  -2.565  -0.853   2.543
  585   3HMA  HEC  90          3HMA      HEC  90  -2.769  -0.189   4.169
  586   1HAA  HEC  90          1HAA      HEC  90  -5.126   2.931   4.908
  587   2HAA  HEC  90          2HAA      HEC  90  -4.382   1.350   5.094
  588   1HBA  HEC  90          1HBA      HEC  90  -6.379   0.483   3.618
  589   2HBA  HEC  90          2HBA      HEC  90  -7.147   2.020   4.054
  590   1HMB  HEC  90          1HMB      HEC  90  -0.315  -1.466  -1.038
  591   2HMB  HEC  90          2HMB      HEC  90   1.068  -0.607  -1.706
  592   3HMB  HEC  90          3HMB      HEC  90   0.575  -0.280  -0.067
  593    HAB  HEC  90           HAB      HEC  90  -0.221   1.399  -4.853
  594   1HBB  HEC  90          1HBB      HEC  90  -1.114  -0.867  -4.758
  595   2HBB  HEC  90          2HBB      HEC  90   0.572  -0.824  -5.313
  596   3HBB  HEC  90          3HBB      HEC  90   0.199  -1.354  -3.665
  597   1HMC  HEC  90          1HMC      HEC  90  -3.504   5.009  -6.878
  598   2HMC  HEC  90          2HMC      HEC  90  -2.115   6.005  -6.381
  599   3HMC  HEC  90          3HMC      HEC  90  -2.026   4.247  -6.335
  600    HAC  HEC  90           HAC      HEC  90  -5.520   7.638  -4.435
  601   1HBC  HEC  90          1HBC      HEC  90  -5.578   6.152  -6.473
  602   2HBC  HEC  90          2HBC      HEC  90  -5.708   7.914  -6.699
  603   3HBC  HEC  90          3HBC      HEC  90  -4.176   7.116  -7.044
  604   1HMD  HEC  90          1HMD      HEC  90  -7.625   8.260  -0.769
  605   2HMD  HEC  90          2HMD      HEC  90  -7.043   8.849   0.804
  606   3HMD  HEC  90          3HMD      HEC  90  -6.042   9.018  -0.630
  607   1HAD  HEC  90          1HAD      HEC  90  -7.245   7.441   2.885
  608   2HAD  HEC  90          2HAD      HEC  90  -7.581   5.720   3.016
  609   1HBD  HEC  90          1HBD      HEC  90  -9.034   5.975   0.906
  610   2HBD  HEC  90          2HBD      HEC  90  -8.945   7.719   1.186
  Start of MODEL   14
    1   1H    ALA  -3          1H        ALA  -3   6.414   0.011 -15.559
    2   2H    ALA  -3          2H        ALA  -3   5.680   1.351 -14.956
    3   3H    ALA  -3          3H        ALA  -3   5.719  -0.029 -14.068
    4    HA   ALA  -3           HA       ALA  -3   3.533   0.201 -14.991
    5   1HB   ALA  -3          1HB       ALA  -3   4.165   1.771 -16.773
    6   2HB   ALA  -3          2HB       ALA  -3   5.012   0.471 -17.640
    7   3HB   ALA  -3          3HB       ALA  -3   3.250   0.411 -17.440
    8    H    ASP  -2           H        ASP  -2   5.011  -1.924 -13.949
    9    HA   ASP  -2           HA       ASP  -2   4.181  -4.256 -15.358
   10   1HB   ASP  -2          1HB       ASP  -2   6.788  -3.024 -16.056
   11   2HB   ASP  -2          2HB       ASP  -2   7.016  -4.603 -15.308
   12    H    LEU  -1           H        LEU  -1   3.921  -5.778 -13.784
   13    HA   LEU  -1           HA       LEU  -1   4.932  -5.257 -11.088
   14   1HB   LEU  -1          1HB       LEU  -1   2.686  -5.999 -11.435
   15   2HB   LEU  -1          2HB       LEU  -1   3.247  -7.447 -12.283
   16    HG   LEU  -1           HG       LEU  -1   4.560  -7.532  -9.764
   17   1HD1  LEU  -1          1HD1      LEU  -1   2.990  -5.792  -8.938
   18   2HD1  LEU  -1          2HD1      LEU  -1   1.627  -6.748  -9.489
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.655  -7.354  -8.164
   20   1HD2  LEU  -1          1HD2      LEU  -1   2.099  -8.993 -10.708
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.785  -9.433 -11.039
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.173  -9.485  -9.377
   23    H    GLN   1           H        GLN   1   7.084  -5.286 -12.088
   24    HA   GLN   1           HA       GLN   1   8.315  -8.011 -11.915
   25   1HB   GLN   1          1HB       GLN   1   8.690  -5.758 -13.816
   26   2HB   GLN   1          2HB       GLN   1  10.224  -6.246 -13.113
   27   1HG   GLN   1          1HG       GLN   1   8.288  -8.242 -14.361
   28   2HG   GLN   1          2HG       GLN   1   9.541  -7.399 -15.279
   29   1HE2  GLN   1          1HE2      GLN   1  11.503  -8.447 -15.468
   30   2HE2  GLN   1          2HE2      GLN   1  12.031  -9.686 -14.333
   31    H    ASP   2           H        ASP   2   8.206  -4.967 -10.414
   32    HA   ASP   2           HA       ASP   2  10.257  -5.830  -8.487
   33   1HB   ASP   2          1HB       ASP   2  11.575  -4.627 -10.221
   34   2HB   ASP   2          2HB       ASP   2  10.577  -3.187  -9.973
   35    H    ALA   3           H        ALA   3   9.241  -5.631  -6.642
   36    HA   ALA   3           HA       ALA   3   6.928  -4.275  -5.926
   37   1HB   ALA   3          1HB       ALA   3   8.066  -5.979  -4.673
   38   2HB   ALA   3          2HB       ALA   3   9.374  -4.845  -4.241
   39   3HB   ALA   3          3HB       ALA   3   7.710  -4.531  -3.706
   40    H    GLU   4           H        GLU   4  10.255  -2.902  -6.057
   41    HA   GLU   4           HA       GLU   4   9.522  -0.397  -4.825
   42   1HB   GLU   4          1HB       GLU   4  11.823  -1.052  -4.859
   43   2HB   GLU   4          2HB       GLU   4  11.851  -1.149  -6.626
   44   1HG   GLU   4          1HG       GLU   4  11.517   1.243  -6.859
   45   2HG   GLU   4          2HG       GLU   4  11.178   1.434  -5.132
   46    H    ALA   5           H        ALA   5   9.709  -1.582  -8.195
   47    HA   ALA   5           HA       ALA   5   9.028   0.992  -9.365
   48   1HB   ALA   5          1HB       ALA   5  10.286  -0.746 -10.592
   49   2HB   ALA   5          2HB       ALA   5   8.834  -1.781 -10.600
   50   3HB   ALA   5          3HB       ALA   5   8.820  -0.223 -11.447
   51    H    ILE   6           H        ILE   6   7.174  -1.820  -8.247
   52    HA   ILE   6           HA       ILE   6   4.636  -1.042  -9.378
   53    HB   ILE   6           HB       ILE   6   5.493  -2.722  -7.013
   54   1HG1  ILE   6          1HG1      ILE   6   3.999  -3.701  -9.442
   55   2HG1  ILE   6          2HG1      ILE   6   5.719  -3.331  -9.611
   56   1HG2  ILE   6          1HG2      ILE   6   3.283  -1.922  -6.358
   57   2HG2  ILE   6          2HG2      ILE   6   2.639  -2.241  -7.984
   58   3HG2  ILE   6          3HG2      ILE   6   3.115  -3.578  -6.923
   59   1HD1  ILE   6          1HD1      ILE   6   6.340  -4.864  -7.878
   60   2HD1  ILE   6          2HD1      ILE   6   4.659  -5.167  -7.431
   61   3HD1  ILE   6          3HD1      ILE   6   5.330  -5.719  -8.985
   62    H    TYR   7           H        TYR   7   6.034  -0.484  -6.005
   63    HA   TYR   7           HA       TYR   7   3.760   1.181  -5.501
   64   1HB   TYR   7          1HB       TYR   7   4.447   1.493  -3.370
   65   2HB   TYR   7          2HB       TYR   7   5.267  -0.006  -3.757
   66    HD1  TYR   7           HD1      TYR   7   7.638  -0.111  -3.407
   67    HD2  TYR   7           HD2      TYR   7   5.656   3.714  -3.489
   68    HE1  TYR   7           HE1      TYR   7   9.815   1.046  -3.080
   69    HE2  TYR   7           HE2      TYR   7   7.835   4.854  -3.199
   70    HH   TYR   7           HH       TYR   7  10.096   4.594  -3.177
   71    H    ASN   8           H        ASN   8   7.023   1.918  -6.574
   72    HA   ASN   8           HA       ASN   8   6.816   4.740  -6.503
   73   1HB   ASN   8          1HB       ASN   8   8.892   3.358  -6.442
   74   2HB   ASN   8          2HB       ASN   8   8.624   2.944  -8.149
   75   1HD2  ASN   8          1HD2      ASN   8  10.623   3.827  -8.781
   76   2HD2  ASN   8          2HD2      ASN   8  10.870   5.569  -8.770
   77    H    LYS   9           H        LYS   9   5.726   2.447  -8.966
   78    HA   LYS   9           HA       LYS   9   4.995   4.689 -10.771
   79   1HB   LYS   9          1HB       LYS   9   5.944   2.481 -11.579
   80   2HB   LYS   9          2HB       LYS   9   4.410   1.758 -11.086
   81   1HG   LYS   9          1HG       LYS   9   3.932   2.116 -13.250
   82   2HG   LYS   9          2HG       LYS   9   3.369   3.661 -12.674
   83   1HD   LYS   9          1HD       LYS   9   6.214   3.227 -13.751
   84   2HD   LYS   9          2HD       LYS   9   4.817   3.614 -14.779
   85   1HE   LYS   9          1HE       LYS   9   4.494   5.671 -13.198
   86   2HE   LYS   9          2HE       LYS   9   6.162   5.354 -12.691
   87   1HZ   LYS   9          1HZ       LYS   9   6.817   5.559 -15.019
   88   2HZ   LYS   9          2HZ       LYS   9   5.260   5.843 -15.468
   89   3HZ   LYS   9          3HZ       LYS   9   6.049   6.922 -14.519
   90    H    ALA  10           H        ALA  10   3.463   2.677  -8.305
   91    HA   ALA  10           HA       ALA  10   0.728   3.488  -9.254
   92   1HB   ALA  10          1HB       ALA  10   1.152   1.063  -9.180
   93   2HB   ALA  10          2HB       ALA  10   1.491   1.173  -7.438
   94   3HB   ALA  10          3HB       ALA  10  -0.110   1.577  -8.043
   95    H    CYS  11           H        CYS  11   2.257   2.743  -6.073
   96    HA   CYS  11           HA       CYS  11   0.359   4.453  -4.654
   97   1HB   CYS  11          1HB       CYS  11   2.747   3.349  -3.304
   98   2HB   CYS  11          2HB       CYS  11   1.077   3.401  -2.761
   99    H    THR  12           H        THR  12   1.754   5.913  -6.554
  100    HA   THR  12           HA       THR  12   3.784   7.490  -5.056
  101    HB   THR  12           HB       THR  12   4.660   5.904  -6.834
  102    HG1  THR  12           HG1      THR  12   4.991   8.602  -7.486
  103   1HG2  THR  12          1HG2      THR  12   2.753   6.200  -8.455
  104   2HG2  THR  12          2HG2      THR  12   3.236   7.882  -8.727
  105   3HG2  THR  12          3HG2      THR  12   4.297   6.589  -9.219
  106    H    VAL  13           H        VAL  13   0.807   7.751  -6.103
  107    HA   VAL  13           HA       VAL  13   1.043  10.468  -7.308
  108    HB   VAL  13           HB       VAL  13  -1.281   8.500  -7.197
  109   1HG1  VAL  13          1HG1      VAL  13  -1.890  10.877  -7.532
  110   2HG1  VAL  13          2HG1      VAL  13  -0.720  10.970  -8.872
  111   3HG1  VAL  13          3HG1      VAL  13  -2.162   9.930  -9.012
  112   1HG2  VAL  13          1HG2      VAL  13   0.760   8.950  -9.409
  113   2HG2  VAL  13          2HG2      VAL  13   0.492   7.445  -8.502
  114   3HG2  VAL  13          3HG2      VAL  13  -0.758   8.046  -9.588
  115    H    CYS  14           H        CYS  14  -0.897   8.590  -4.990
  116    HA   CYS  14           HA       CYS  14  -1.782  10.928  -3.470
  117   1HB   CYS  14          1HB       CYS  14  -2.136   7.929  -3.395
  118   2HB   CYS  14          2HB       CYS  14  -2.788   8.987  -2.147
  119    H    HIS  15           H        HIS  15  -0.069   7.926  -2.606
  120    HA   HIS  15           HA       HIS  15   0.532   8.771   0.027
  121   1HB   HIS  15          1HB       HIS  15   1.477   6.484  -1.737
  122   2HB   HIS  15          2HB       HIS  15   1.948   6.645  -0.053
  123    HD1  HIS  15           HD1      HIS  15   0.133   6.224   1.777
  124    HD2  HIS  15           HD2      HIS  15  -1.061   5.718  -2.213
  125    HE1  HIS  15           HE1      HIS  15  -1.794   4.527   1.796
  126    H    SER  16           H        SER  16   2.408   9.174  -2.870
  127    HA   SER  16           HA       SER  16   5.060   9.236  -1.764
  128   1HB   SER  16          1HB       SER  16   3.768  10.240  -4.281
  129   2HB   SER  16          2HB       SER  16   5.309  10.972  -3.828
  130    HG   SER  16           HG       SER  16   5.480   8.973  -5.122
  131    H    MET  17           H        MET  17   2.634  11.780  -2.293
  132    HA   MET  17           HA       MET  17   4.288  13.693  -0.699
  133   1HB   MET  17          1HB       MET  17   3.504  13.979  -3.224
  134   2HB   MET  17          2HB       MET  17   1.994  14.467  -2.471
  135   1HG   MET  17          1HG       MET  17   2.896  16.513  -2.426
  136   2HG   MET  17          2HG       MET  17   3.878  15.978  -1.060
  137   1HE   MET  17          1HE       MET  17   4.334  18.381  -3.269
  138   2HE   MET  17          2HE       MET  17   5.390  18.163  -1.846
  139   3HE   MET  17          3HE       MET  17   6.097  18.282  -3.479
  140    H    GLY  18           H        GLY  18   1.242  11.921  -0.732
  141   1HA   GLY  18          1HA       GLY  18  -0.234  11.682   1.056
  142   2HA   GLY  18          2HA       GLY  18   0.439  13.095   1.870
  143    H    VAL  19           H        VAL  19  -1.165  12.339  -1.251
  144    HA   VAL  19           HA       VAL  19  -2.834  14.816  -1.050
  145    HB   VAL  19           HB       VAL  19  -2.120  13.147  -3.496
  146   1HG1  VAL  19          1HG1      VAL  19  -4.243  14.245  -3.913
  147   2HG1  VAL  19          2HG1      VAL  19  -3.641  15.772  -3.211
  148   3HG1  VAL  19          3HG1      VAL  19  -2.988  15.155  -4.739
  149   1HG2  VAL  19          1HG2      VAL  19  -1.081  15.845  -2.531
  150   2HG2  VAL  19          2HG2      VAL  19  -0.166  14.326  -2.646
  151   3HG2  VAL  19          3HG2      VAL  19  -0.732  15.115  -4.116
  152    H    ALA  20           H        ALA  20  -5.061  14.575  -1.877
  153    HA   ALA  20           HA       ALA  20  -7.152  13.731  -1.574
  154   1HB   ALA  20          1HB       ALA  20  -6.418  12.244  -3.395
  155   2HB   ALA  20          2HB       ALA  20  -5.921  11.034  -2.191
  156   3HB   ALA  20          3HB       ALA  20  -7.626  11.496  -2.331
  157    H    GLY  21           H        GLY  21  -5.214  13.777   0.730
  158   1HA   GLY  21          1HA       GLY  21  -5.373  13.437   3.017
  159   2HA   GLY  21          2HA       GLY  21  -6.876  12.537   2.792
  160    H    ALA  22           H        ALA  22  -4.182  11.450   0.822
  161    HA   ALA  22           HA       ALA  22  -4.393   8.911   1.907
  162   1HB   ALA  22          1HB       ALA  22  -3.803   9.332  -0.354
  163   2HB   ALA  22          2HB       ALA  22  -2.243  10.054   0.107
  164   3HB   ALA  22          3HB       ALA  22  -2.541   8.322   0.365
  165    HA   PRO  23           HA       PRO  23  -1.576   8.960   5.357
  166   1HB   PRO  23          1HB       PRO  23  -1.228   6.290   5.758
  167   2HB   PRO  23          2HB       PRO  23  -2.767   7.170   6.030
  168   1HG   PRO  23          1HG       PRO  23  -2.066   5.403   3.745
  169   2HG   PRO  23          2HG       PRO  23  -3.608   5.569   4.600
  170   1HD   PRO  23          1HD       PRO  23  -2.964   6.835   2.172
  171   2HD   PRO  23          2HD       PRO  23  -4.203   7.365   3.327
  172    H    LYS  24           H        LYS  24   0.580   8.989   5.822
  173    HA   LYS  24           HA       LYS  24   2.161   9.486   3.520
  174   1HB   LYS  24          1HB       LYS  24   3.187   9.121   6.337
  175   2HB   LYS  24          2HB       LYS  24   4.032   9.929   5.019
  176   1HG   LYS  24          1HG       LYS  24   2.276  11.702   4.957
  177   2HG   LYS  24          2HG       LYS  24   1.448  10.885   6.291
  178   1HD   LYS  24          1HD       LYS  24   3.867  11.005   7.423
  179   2HD   LYS  24          2HD       LYS  24   4.151  12.299   6.283
  180   1HE   LYS  24          1HE       LYS  24   2.751  13.768   7.398
  181   2HE   LYS  24          2HE       LYS  24   1.568  12.525   7.793
  182   1HZ   LYS  24          1HZ       LYS  24   3.124  11.678   9.472
  183   2HZ   LYS  24          2HZ       LYS  24   4.122  12.947   9.194
  184   3HZ   LYS  24          3HZ       LYS  24   2.611  13.217   9.789
  185    H    SER  25           H        SER  25   3.822   8.488   2.512
  186    HA   SER  25           HA       SER  25   4.047   5.769   2.263
  187   1HB   SER  25          1HB       SER  25   5.004   7.571   0.786
  188   2HB   SER  25          2HB       SER  25   6.386   7.677   1.896
  189    HG   SER  25           HG       SER  25   6.557   6.152   0.038
  190    H    HIS  26           H        HIS  26   5.766   7.731   4.676
  191    HA   HIS  26           HA       HIS  26   6.489   5.252   6.155
  192   1HB   HIS  26          1HB       HIS  26   8.813   6.254   6.528
  193   2HB   HIS  26          2HB       HIS  26   8.454   5.502   4.980
  194    HD1  HIS  26           HD1      HIS  26   9.816   6.794   3.262
  195    HD2  HIS  26           HD2      HIS  26   7.672   9.241   5.934
  196    HE1  HIS  26           HE1      HIS  26  10.033   9.194   2.408
  197    H    ASN  27           H        ASN  27   4.435   6.418   7.046
  198    HA   ASN  27           HA       ASN  27   5.121   8.271   9.271
  199   1HB   ASN  27          1HB       ASN  27   2.655   7.299   7.920
  200   2HB   ASN  27          2HB       ASN  27   2.584   7.127   9.672
  201   1HD2  ASN  27          1HD2      ASN  27   0.798   8.821   8.115
  202   2HD2  ASN  27          2HD2      ASN  27   1.091  10.408   8.750
  203    H    THR  28           H        THR  28   4.783   7.463  11.548
  204    HA   THR  28           HA       THR  28   4.941   4.463  11.827
  205    HB   THR  28           HB       THR  28   5.507   5.170  14.226
  206    HG1  THR  28           HG1      THR  28   6.168   7.298  14.435
  207   1HG2  THR  28          1HG2      THR  28   7.212   4.347  12.668
  208   2HG2  THR  28          2HG2      THR  28   7.375   5.960  11.943
  209   3HG2  THR  28          3HG2      THR  28   7.867   5.687  13.629
  210    H    ALA  29           H        ALA  29   3.116   7.366  12.878
  211    HA   ALA  29           HA       ALA  29   1.333   5.873  14.575
  212   1HB   ALA  29          1HB       ALA  29   1.792   8.238  14.862
  213   2HB   ALA  29          2HB       ALA  29   0.999   8.598  13.302
  214   3HB   ALA  29          3HB       ALA  29   0.050   7.936  14.657
  215    H    ASP  30           H        ASP  30   1.330   6.471  11.213
  216    HA   ASP  30           HA       ASP  30  -1.493   5.946  10.665
  217   1HB   ASP  30          1HB       ASP  30   0.378   7.563   9.678
  218   2HB   ASP  30          2HB       ASP  30   0.719   6.176   8.598
  219    H    TRP  31           H        TRP  31   1.534   4.263  10.859
  220    HA   TRP  31           HA       TRP  31   0.594   1.840   9.429
  221   1HB   TRP  31          1HB       TRP  31   3.326   2.737  10.370
  222   2HB   TRP  31          2HB       TRP  31   2.981   1.175   9.622
  223    HD1  TRP  31           HD1      TRP  31   2.625   4.915   8.751
  224    HE1  TRP  31           HE1      TRP  31   2.889   5.297   6.224
  225    HE3  TRP  31           HE3      TRP  31   3.255   0.043   7.261
  226    HZ2  TRP  31           HZ2      TRP  31   3.341   3.739   3.927
  227    HZ3  TRP  31           HZ3      TRP  31   3.318  -0.444   4.807
  228    HH2  TRP  31           HH2      TRP  31   3.233   1.367   3.194
  229    H    GLU  32           H        GLU  32   1.594   2.997  12.708
  230    HA   GLU  32           HA       GLU  32   1.707   0.682  14.177
  231   1HB   GLU  32          1HB       GLU  32   0.772   3.484  14.687
  232   2HB   GLU  32          2HB       GLU  32   0.434   2.282  15.933
  233   1HG   GLU  32          1HG       GLU  32   2.706   1.840  16.336
  234   2HG   GLU  32          2HG       GLU  32   3.231   2.533  14.793
  235    HA   PRO  33           HA       PRO  33  -3.000   0.294  14.858
  236   1HB   PRO  33          1HB       PRO  33  -4.786   1.629  13.226
  237   2HB   PRO  33          2HB       PRO  33  -4.133   2.264  14.759
  238   1HG   PRO  33          1HG       PRO  33  -3.132   2.880  11.966
  239   2HG   PRO  33          2HG       PRO  33  -3.467   4.018  13.298
  240   1HD   PRO  33          1HD       PRO  33  -0.996   3.141  12.739
  241   2HD   PRO  33          2HD       PRO  33  -1.514   3.385  14.434
  242    H    ARG  34           H        ARG  34  -1.373   0.138  11.836
  243    HA   ARG  34           HA       ARG  34  -3.239  -1.906  10.722
  244   1HB   ARG  34          1HB       ARG  34  -1.014  -0.202   9.559
  245   2HB   ARG  34          2HB       ARG  34  -1.640  -1.627   8.755
  246   1HG   ARG  34          1HG       ARG  34  -2.712   0.342   7.880
  247   2HG   ARG  34          2HG       ARG  34  -3.920  -0.627   8.710
  248   1HD   ARG  34          1HD       ARG  34  -4.114   0.858  10.484
  249   2HD   ARG  34          2HD       ARG  34  -2.607   1.710  10.063
  250    HE   ARG  34           HE       ARG  34  -3.982   2.155   7.819
  251   1HH1  ARG  34          2HH1      ARG  34  -5.048   2.648  11.124
  252   2HH1  ARG  34          1HH1      ARG  34  -6.182   3.904  10.703
  253   1HH2  ARG  34          1HH2      ARG  34  -5.482   3.778   7.280
  254   2HH2  ARG  34          2HH2      ARG  34  -6.400   4.548   8.527
  255    H    LEU  35           H        LEU  35   0.180  -1.389  11.641
  256    HA   LEU  35           HA       LEU  35   1.081  -4.054  11.263
  257   1HB   LEU  35          1HB       LEU  35   2.252  -1.609  11.744
  258   2HB   LEU  35          2HB       LEU  35   2.481  -2.393  13.298
  259    HG   LEU  35           HG       LEU  35   3.417  -3.354  10.557
  260   1HD1  LEU  35          1HD1      LEU  35   4.685  -1.473  11.531
  261   2HD1  LEU  35          2HD1      LEU  35   4.961  -2.419  13.009
  262   3HD1  LEU  35          3HD1      LEU  35   5.661  -2.947  11.465
  263   1HD2  LEU  35          1HD2      LEU  35   3.765  -4.746  13.230
  264   2HD2  LEU  35          2HD2      LEU  35   2.921  -5.369  11.779
  265   3HD2  LEU  35          3HD2      LEU  35   4.661  -5.121  11.743
  266    H    ALA  36           H        ALA  36  -0.920  -2.764  13.697
  267    HA   ALA  36           HA       ALA  36  -0.044  -4.467  15.946
  268   1HB   ALA  36          1HB       ALA  36  -0.786  -2.161  16.389
  269   2HB   ALA  36          2HB       ALA  36  -2.342  -2.484  15.595
  270   3HB   ALA  36          3HB       ALA  36  -1.920  -3.324  17.105
  271    H    LYS  37           H        LYS  37  -2.583  -4.113  13.507
  272    HA   LYS  37           HA       LYS  37  -4.131  -6.391  14.365
  273   1HB   LYS  37          1HB       LYS  37  -4.009  -4.794  11.782
  274   2HB   LYS  37          2HB       LYS  37  -5.133  -6.129  12.033
  275   1HG   LYS  37          1HG       LYS  37  -5.030  -3.642  13.812
  276   2HG   LYS  37          2HG       LYS  37  -6.042  -3.821  12.383
  277   1HD   LYS  37          1HD       LYS  37  -6.716  -6.141  13.655
  278   2HD   LYS  37          2HD       LYS  37  -6.283  -5.160  15.065
  279   1HE   LYS  37          1HE       LYS  37  -7.871  -3.378  14.265
  280   2HE   LYS  37          2HE       LYS  37  -8.261  -4.377  12.853
  281   1HZ   LYS  37          1HZ       LYS  37  -9.115  -6.063  14.358
  282   2HZ   LYS  37          2HZ       LYS  37  -8.811  -5.102  15.658
  283   3HZ   LYS  37          3HZ       LYS  37  -9.918  -4.641  14.533
  284    H    GLY  38           H        GLY  38  -1.724  -5.772  11.737
  285   1HA   GLY  38          1HA       GLY  38  -0.207  -8.064  11.999
  286   2HA   GLY  38          2HA       GLY  38  -1.574  -8.606  11.017
  287    H    VAL  39           H        VAL  39  -0.845  -8.763   8.977
  288    HA   VAL  39           HA       VAL  39   0.369  -6.375   7.671
  289    HB   VAL  39           HB       VAL  39   1.458  -9.133   7.091
  290   1HG1  VAL  39          1HG1      VAL  39   1.812  -7.344   5.417
  291   2HG1  VAL  39          2HG1      VAL  39   2.527  -6.320   6.678
  292   3HG1  VAL  39          3HG1      VAL  39   3.346  -7.809   6.177
  293   1HG2  VAL  39          1HG2      VAL  39   2.594  -7.156   9.121
  294   2HG2  VAL  39          2HG2      VAL  39   2.047  -8.819   9.444
  295   3HG2  VAL  39          3HG2      VAL  39   3.479  -8.540   8.451
  296    H    ASP  40           H        ASP  40  -0.691  -9.748   7.035
  297    HA   ASP  40           HA       ASP  40  -1.618  -9.233   4.418
  298   1HB   ASP  40          1HB       ASP  40  -2.220 -11.552   6.282
  299   2HB   ASP  40          2HB       ASP  40  -2.401 -11.525   4.517
  300    H    ASN  41           H        ASN  41  -2.835  -7.429   6.176
  301    HA   ASN  41           HA       ASN  41  -5.763  -8.024   6.149
  302   1HB   ASN  41          1HB       ASN  41  -4.313  -5.842   7.669
  303   2HB   ASN  41          2HB       ASN  41  -5.914  -6.480   8.011
  304   1HD2  ASN  41          1HD2      ASN  41  -3.902  -5.902   9.840
  305   2HD2  ASN  41          2HD2      ASN  41  -3.348  -7.401  10.554
  306    H    LEU  42           H        LEU  42  -3.213  -5.503   5.756
  307    HA   LEU  42           HA       LEU  42  -5.055  -3.708   4.341
  308   1HB   LEU  42          1HB       LEU  42  -2.120  -3.622   5.039
  309   2HB   LEU  42          2HB       LEU  42  -2.899  -2.404   4.061
  310    HG   LEU  42           HG       LEU  42  -2.771  -1.586   6.321
  311   1HD1  LEU  42          1HD1      LEU  42  -4.856  -1.119   4.920
  312   2HD1  LEU  42          2HD1      LEU  42  -5.698  -2.279   5.953
  313   3HD1  LEU  42          3HD1      LEU  42  -4.972  -0.831   6.662
  314   1HD2  LEU  42          1HD2      LEU  42  -4.582  -3.778   7.307
  315   2HD2  LEU  42          2HD2      LEU  42  -2.799  -3.957   7.360
  316   3HD2  LEU  42          3HD2      LEU  42  -3.603  -2.680   8.257
  317    H    VAL  43           H        VAL  43  -2.496  -6.028   3.466
  318    HA   VAL  43           HA       VAL  43  -2.391  -5.273   0.728
  319    HB   VAL  43           HB       VAL  43  -0.857  -6.769   2.192
  320   1HG1  VAL  43          1HG1      VAL  43  -2.744  -8.439   2.587
  321   2HG1  VAL  43          2HG1      VAL  43  -2.475  -8.944   0.896
  322   3HG1  VAL  43          3HG1      VAL  43  -1.172  -9.123   2.076
  323   1HG2  VAL  43          1HG2      VAL  43  -1.478  -7.418  -0.738
  324   2HG2  VAL  43          2HG2      VAL  43  -0.312  -6.230  -0.139
  325   3HG2  VAL  43          3HG2      VAL  43  -0.022  -7.950   0.117
  326    H    LYS  44           H        LYS  44  -4.817  -6.783   2.617
  327    HA   LYS  44           HA       LYS  44  -6.270  -7.864   0.271
  328   1HB   LYS  44          1HB       LYS  44  -7.284  -7.692   3.112
  329   2HB   LYS  44          2HB       LYS  44  -7.942  -8.635   1.791
  330   1HG   LYS  44          1HG       LYS  44  -5.181  -9.075   3.015
  331   2HG   LYS  44          2HG       LYS  44  -6.631  -9.890   3.543
  332   1HD   LYS  44          1HD       LYS  44  -6.321 -11.480   2.060
  333   2HD   LYS  44          2HD       LYS  44  -6.589 -10.325   0.745
  334   1HE   LYS  44          1HE       LYS  44  -4.298  -9.983   0.396
  335   2HE   LYS  44          2HE       LYS  44  -3.841 -10.549   2.024
  336   1HZ   LYS  44          1HZ       LYS  44  -4.260 -12.763   1.396
  337   2HZ   LYS  44          2HZ       LYS  44  -4.810 -12.331  -0.102
  338   3HZ   LYS  44          3HZ       LYS  44  -3.253 -12.075   0.304
  339    H    SER  45           H        SER  45  -6.614  -5.083   2.640
  340    HA   SER  45           HA       SER  45  -9.032  -4.105   1.436
  341   1HB   SER  45          1HB       SER  45  -6.889  -2.667   3.045
  342   2HB   SER  45          2HB       SER  45  -8.376  -1.919   2.448
  343    HG   SER  45           HG       SER  45  -8.938  -2.664   4.413
  344    H    VAL  46           H        VAL  46  -5.576  -3.605   0.759
  345    HA   VAL  46           HA       VAL  46  -5.947  -1.518  -1.011
  346    HB   VAL  46           HB       VAL  46  -3.831  -2.321   0.181
  347   1HG1  VAL  46          1HG1      VAL  46  -3.981  -4.637  -0.724
  348   2HG1  VAL  46          2HG1      VAL  46  -3.537  -4.023  -2.316
  349   3HG1  VAL  46          3HG1      VAL  46  -2.381  -3.900  -0.987
  350   1HG2  VAL  46          1HG2      VAL  46  -3.471  -1.594  -2.722
  351   2HG2  VAL  46          2HG2      VAL  46  -3.553  -0.490  -1.315
  352   3HG2  VAL  46          3HG2      VAL  46  -2.230  -1.642  -1.442
  353    H    LYS  47           H        LYS  47  -5.886  -5.007  -1.562
  354    HA   LYS  47           HA       LYS  47  -6.176  -4.784  -4.425
  355   1HB   LYS  47          1HB       LYS  47  -5.718  -6.985  -4.532
  356   2HB   LYS  47          2HB       LYS  47  -5.064  -6.604  -2.922
  357   1HG   LYS  47          1HG       LYS  47  -7.384  -7.354  -2.053
  358   2HG   LYS  47          2HG       LYS  47  -7.603  -8.118  -3.619
  359   1HD   LYS  47          1HD       LYS  47  -5.144  -8.511  -1.846
  360   2HD   LYS  47          2HD       LYS  47  -6.636  -9.404  -1.605
  361   1HE   LYS  47          1HE       LYS  47  -5.830 -10.998  -2.974
  362   2HE   LYS  47          2HE       LYS  47  -6.156  -9.877  -4.297
  363   1HZ   LYS  47          1HZ       LYS  47  -3.824  -9.077  -3.976
  364   2HZ   LYS  47          2HZ       LYS  47  -3.520 -10.334  -2.970
  365   3HZ   LYS  47          3HZ       LYS  47  -3.935 -10.625  -4.485
  366    H    THR  48           H        THR  48  -8.315  -5.214  -1.707
  367    HA   THR  48           HA       THR  48 -10.713  -5.742  -3.226
  368    HB   THR  48           HB       THR  48 -10.230  -4.811  -0.382
  369    HG1  THR  48           HG1      THR  48 -10.698  -7.008   0.002
  370   1HG2  THR  48          1HG2      THR  48 -12.526  -4.176  -0.924
  371   2HG2  THR  48          2HG2      THR  48 -12.811  -5.757  -1.693
  372   3HG2  THR  48          3HG2      THR  48 -12.548  -5.645   0.059
  373    H    GLY  49           H        GLY  49  -9.010  -2.697  -2.467
  374   1HA   GLY  49          1HA       GLY  49  -9.524  -0.600  -3.302
  375   2HA   GLY  49          2HA       GLY  49 -11.055  -1.179  -3.960
  376    H    LEU  50           H        LEU  50  -9.762   0.782  -1.694
  377    HA   LEU  50           HA       LEU  50 -12.135   0.611   0.135
  378   1HB   LEU  50          1HB       LEU  50  -9.635   0.439   1.009
  379   2HB   LEU  50          2HB       LEU  50  -9.653   2.186   0.742
  380    HG   LEU  50           HG       LEU  50 -12.011   1.951   2.124
  381   1HD1  LEU  50          1HD1      LEU  50 -11.960  -0.521   2.135
  382   2HD1  LEU  50          2HD1      LEU  50 -10.466  -0.471   3.093
  383   3HD1  LEU  50          3HD1      LEU  50 -11.977   0.177   3.764
  384   1HD2  LEU  50          1HD2      LEU  50  -9.389   1.722   3.622
  385   2HD2  LEU  50          2HD2      LEU  50  -9.984   3.226   2.883
  386   3HD2  LEU  50          3HD2      LEU  50 -10.907   2.449   4.180
  387    H    ASN  51           H        ASN  51 -11.306   3.450   1.053
  388    HA   ASN  51           HA       ASN  51 -12.991   4.816  -0.937
  389   1HB   ASN  51          1HB       ASN  51 -11.644   6.241   1.313
  390   2HB   ASN  51          2HB       ASN  51 -13.152   6.643   0.502
  391   1HD2  ASN  51          1HD2      ASN  51 -14.739   4.782   0.418
  392   2HD2  ASN  51          2HD2      ASN  51 -14.284   3.447   1.371
  393    H    ALA  52           H        ALA  52 -12.360   6.297  -2.081
  394    HA   ALA  52           HA       ALA  52 -11.030   7.466  -3.664
  395   1HB   ALA  52          1HB       ALA  52 -10.974   8.796  -1.666
  396   2HB   ALA  52          2HB       ALA  52  -9.688   7.841  -0.964
  397   3HB   ALA  52          3HB       ALA  52  -9.341   8.874  -2.386
  398    H    MET  53           H        MET  53 -10.268   4.499  -3.048
  399    HA   MET  53           HA       MET  53  -7.673   4.538  -4.478
  400   1HB   MET  53          1HB       MET  53  -7.802   4.254  -1.874
  401   2HB   MET  53          2HB       MET  53  -8.337   2.611  -2.228
  402   1HG   MET  53          1HG       MET  53  -6.183   2.230  -3.438
  403   2HG   MET  53          2HG       MET  53  -5.818   3.951  -3.260
  404   1HE   MET  53          1HE       MET  53  -6.782   0.782  -0.937
  405   2HE   MET  53          2HE       MET  53  -5.352   0.582  -1.977
  406   3HE   MET  53          3HE       MET  53  -5.177   0.676  -0.195
  407    HA   PRO  54           HA       PRO  54 -10.252   1.820  -6.869
  408   1HB   PRO  54          1HB       PRO  54  -8.523   1.037  -8.879
  409   2HB   PRO  54          2HB       PRO  54  -9.268   2.655  -8.755
  410   1HG   PRO  54          1HG       PRO  54  -6.520   1.807  -7.843
  411   2HG   PRO  54          2HG       PRO  54  -6.961   3.261  -8.780
  412   1HD   PRO  54          1HD       PRO  54  -6.547   3.282  -6.073
  413   2HD   PRO  54          2HD       PRO  54  -7.769   4.344  -6.842
  414    HA   PRO  55           HA       PRO  55  -9.515  -2.247  -5.237
  415   1HB   PRO  55          1HB       PRO  55 -10.975  -3.843  -6.910
  416   2HB   PRO  55          2HB       PRO  55 -11.733  -2.699  -5.769
  417   1HG   PRO  55          1HG       PRO  55 -11.183  -2.246  -8.702
  418   2HG   PRO  55          2HG       PRO  55 -12.700  -1.947  -7.802
  419   1HD   PRO  55          1HD       PRO  55 -10.928   0.043  -8.317
  420   2HD   PRO  55          2HD       PRO  55 -11.803  -0.019  -6.756
  421    H    GLY  56           H        GLY  56  -7.568  -3.117  -5.269
  422   1HA   GLY  56          1HA       GLY  56  -6.005  -4.618  -6.549
  423   2HA   GLY  56          2HA       GLY  56  -6.348  -3.614  -7.924
  424    H    GLY  57           H        GLY  57  -6.318  -1.221  -5.742
  425   1HA   GLY  57          1HA       GLY  57  -4.723   0.383  -5.240
  426   2HA   GLY  57          2HA       GLY  57  -3.578  -0.946  -4.997
  427    H    MET  58           H        MET  58  -5.391   0.157  -7.826
  428    HA   MET  58           HA       MET  58  -4.886   0.985  -9.832
  429   1HB   MET  58          1HB       MET  58  -3.022   2.223  -8.408
  430   2HB   MET  58          2HB       MET  58  -1.934   1.196  -9.355
  431   1HG   MET  58          1HG       MET  58  -4.004   3.156 -10.464
  432   2HG   MET  58          2HG       MET  58  -2.283   3.437 -10.260
  433   1HE   MET  58          1HE       MET  58  -4.965   1.355 -12.230
  434   2HE   MET  58          2HE       MET  58  -4.777   3.009 -12.857
  435   3HE   MET  58          3HE       MET  58  -4.285   1.618 -13.850
  436    H    CYS  59           H        CYS  59  -2.492  -1.483  -8.723
  437    HA   CYS  59           HA       CYS  59  -2.238  -2.549 -11.451
  438   1HB   CYS  59          1HB       CYS  59  -0.833  -4.264 -10.478
  439   2HB   CYS  59          2HB       CYS  59  -0.378  -2.663  -9.890
  440    H    THR  60           H        THR  60  -2.836  -4.753 -12.063
  441    HA   THR  60           HA       THR  60  -5.487  -5.580 -10.942
  442    HB   THR  60           HB       THR  60  -5.755  -6.573 -13.228
  443    HG1  THR  60           HG1      THR  60  -4.219  -5.750 -14.791
  444   1HG2  THR  60          1HG2      THR  60  -6.621  -4.290 -12.661
  445   2HG2  THR  60          2HG2      THR  60  -5.093  -3.587 -13.228
  446   3HG2  THR  60          3HG2      THR  60  -6.154  -4.435 -14.368
  447    H    ASP  61           H        ASP  61  -2.944  -7.177 -12.820
  448    HA   ASP  61           HA       ASP  61  -3.333  -9.706 -11.463
  449   1HB   ASP  61          1HB       ASP  61  -2.852  -9.359 -13.913
  450   2HB   ASP  61          2HB       ASP  61  -1.208  -8.858 -13.486
  451    H    CYS  62           H        CYS  62  -2.814  -8.198  -9.435
  452    HA   CYS  62           HA       CYS  62   0.065  -8.023  -8.740
  453   1HB   CYS  62          1HB       CYS  62  -2.078  -7.554  -6.759
  454   2HB   CYS  62          2HB       CYS  62  -0.564  -6.688  -6.948
  455    H    THR  63           H        THR  63   1.188  -9.723  -7.982
  456    HA   THR  63           HA       THR  63  -0.236 -11.962  -6.684
  457    HB   THR  63           HB       THR  63   2.675 -11.621  -7.520
  458    HG1  THR  63           HG1      THR  63   1.992 -12.797  -9.328
  459   1HG2  THR  63          1HG2      THR  63   2.323 -13.438  -5.840
  460   2HG2  THR  63          2HG2      THR  63   1.018 -14.104  -6.847
  461   3HG2  THR  63          3HG2      THR  63   2.691 -14.103  -7.436
  462    H    ASP  64           H        ASP  64  -0.280 -12.139  -4.458
  463    HA   ASP  64           HA       ASP  64   0.408 -10.237  -2.662
  464   1HB   ASP  64          1HB       ASP  64  -0.065 -13.177  -2.527
  465   2HB   ASP  64          2HB       ASP  64   0.459 -12.310  -1.089
  466    H    GLU  65           H        GLU  65   2.658 -12.749  -3.819
  467    HA   GLU  65           HA       GLU  65   4.975 -12.220  -2.369
  468   1HB   GLU  65          1HB       GLU  65   4.682 -12.612  -5.381
  469   2HB   GLU  65          2HB       GLU  65   6.174 -12.759  -4.452
  470   1HG   GLU  65          1HG       GLU  65   5.044 -14.578  -3.070
  471   2HG   GLU  65          2HG       GLU  65   3.701 -14.548  -4.219
  472    H    ASP  66           H        ASP  66   4.038 -10.306  -5.397
  473    HA   ASP  66           HA       ASP  66   6.237  -8.454  -4.780
  474   1HB   ASP  66          1HB       ASP  66   4.303  -8.817  -7.084
  475   2HB   ASP  66          2HB       ASP  66   5.112  -7.265  -6.838
  476    H    TYR  67           H        TYR  67   2.774  -8.730  -4.290
  477    HA   TYR  67           HA       TYR  67   2.172  -6.017  -3.813
  478   1HB   TYR  67          1HB       TYR  67   0.852  -8.442  -3.881
  479   2HB   TYR  67          2HB       TYR  67   0.747  -8.086  -2.164
  480    HD1  TYR  67           HD1      TYR  67  -1.474  -8.601  -4.006
  481    HD2  TYR  67           HD2      TYR  67   0.458  -4.880  -2.963
  482    HE1  TYR  67           HE1      TYR  67  -3.454  -7.307  -4.811
  483    HE2  TYR  67           HE2      TYR  67  -1.475  -3.634  -3.878
  484    HH   TYR  67           HH       TYR  67  -3.419  -4.005  -5.374
  485    H    LYS  68           H        LYS  68   3.109  -8.617  -1.556
  486    HA   LYS  68           HA       LYS  68   3.170  -6.908   0.804
  487   1HB   LYS  68          1HB       LYS  68   4.157  -9.740   0.307
  488   2HB   LYS  68          2HB       LYS  68   4.435  -8.841   1.810
  489   1HG   LYS  68          1HG       LYS  68   1.984  -8.489   2.085
  490   2HG   LYS  68          2HG       LYS  68   1.712  -9.396   0.589
  491   1HD   LYS  68          1HD       LYS  68   1.274 -10.837   2.438
  492   2HD   LYS  68          2HD       LYS  68   2.733 -11.412   1.615
  493   1HE   LYS  68          1HE       LYS  68   4.155 -10.447   3.405
  494   2HE   LYS  68          2HE       LYS  68   2.738  -9.659   4.126
  495   1HZ   LYS  68          1HZ       LYS  68   1.798 -11.718   4.616
  496   2HZ   LYS  68          2HZ       LYS  68   3.010 -12.593   3.920
  497   3HZ   LYS  68          3HZ       LYS  68   3.285 -11.701   5.288
  498    H    ALA  69           H        ALA  69   5.714  -8.285  -1.445
  499    HA   ALA  69           HA       ALA  69   7.913  -6.972  -0.298
  500   1HB   ALA  69          1HB       ALA  69   8.098  -8.540  -2.107
  501   2HB   ALA  69          2HB       ALA  69   7.278  -7.406  -3.195
  502   3HB   ALA  69          3HB       ALA  69   8.880  -7.004  -2.532
  503    H    ALA  70           H        ALA  70   5.223  -5.503  -2.036
  504    HA   ALA  70           HA       ALA  70   6.604  -2.931  -2.484
  505   1HB   ALA  70          1HB       ALA  70   5.095  -3.798  -4.198
  506   2HB   ALA  70          2HB       ALA  70   3.734  -3.751  -3.058
  507   3HB   ALA  70          3HB       ALA  70   4.526  -2.250  -3.559
  508    H    ILE  71           H        ILE  71   4.135  -4.224  -0.306
  509    HA   ILE  71           HA       ILE  71   3.726  -1.638   1.084
  510    HB   ILE  71           HB       ILE  71   2.572  -4.400   1.126
  511   1HG1  ILE  71          1HG1      ILE  71   1.141  -1.782   1.377
  512   2HG1  ILE  71          2HG1      ILE  71   1.860  -2.262  -0.164
  513   1HG2  ILE  71          1HG2      ILE  71   2.876  -4.318   3.458
  514   2HG2  ILE  71          2HG2      ILE  71   2.497  -2.590   3.553
  515   3HG2  ILE  71          3HG2      ILE  71   1.222  -3.763   3.193
  516   1HD1  ILE  71          1HD1      ILE  71   0.560  -4.224  -0.317
  517   2HD1  ILE  71          2HD1      ILE  71  -0.092  -4.042   1.335
  518   3HD1  ILE  71          3HD1      ILE  71  -0.543  -2.890   0.066
  519    H    GLU  72           H        GLU  72   5.236  -4.716   1.843
  520    HA   GLU  72           HA       GLU  72   6.300  -4.114   4.373
  521   1HB   GLU  72          1HB       GLU  72   7.495  -6.053   4.293
  522   2HB   GLU  72          2HB       GLU  72   6.159  -6.373   3.196
  523   1HG   GLU  72          1HG       GLU  72   7.989  -7.173   2.001
  524   2HG   GLU  72          2HG       GLU  72   7.890  -5.520   1.360
  525    H    PHE  73           H        PHE  73   7.528  -3.281   1.185
  526    HA   PHE  73           HA       PHE  73  10.027  -2.281   1.682
  527   1HB   PHE  73          1HB       PHE  73   8.778  -2.224  -0.472
  528   2HB   PHE  73          2HB       PHE  73   7.830  -0.865   0.116
  529    HD1  PHE  73           HD1      PHE  73  10.930  -1.911  -1.446
  530    HD2  PHE  73           HD2      PHE  73   8.989   1.352   0.599
  531    HE1  PHE  73           HE1      PHE  73  12.645  -0.329  -2.320
  532    HE2  PHE  73           HE2      PHE  73  10.776   2.892  -0.169
  533    HZ   PHE  73           HZ       PHE  73  12.586   2.050  -1.661
  534    H    MET  74           H        MET  74   6.964  -0.767   2.731
  535    HA   MET  74           HA       MET  74   8.332   1.657   3.651
  536   1HB   MET  74          1HB       MET  74   5.527   0.639   3.809
  537   2HB   MET  74          2HB       MET  74   6.002   2.226   4.465
  538   1HG   MET  74          1HG       MET  74   5.088   2.785   2.395
  539   2HG   MET  74          2HG       MET  74   6.774   2.636   1.940
  540   1HE   MET  74          1HE       MET  74   3.032   1.541   1.106
  541   2HE   MET  74          2HE       MET  74   4.002   2.636   0.069
  542   3HE   MET  74          3HE       MET  74   3.537   1.012  -0.484
  543    H    SER  75           H        SER  75   6.077  -0.565   5.336
  544    HA   SER  75           HA       SER  75   7.903  -1.085   7.536
  545   1HB   SER  75          1HB       SER  75   7.057   1.321   7.956
  546   2HB   SER  75          2HB       SER  75   5.483   0.582   8.301
  547    HG   SER  75           HG       SER  75   6.718   0.782  10.209
  548    H    LYS  76           H        LYS  76   6.295  -2.626   5.700
  549    HA   LYS  76           HA       LYS  76   4.583  -4.213   5.591
  550   1HB   LYS  76          1HB       LYS  76   5.146  -6.132   6.956
  551   2HB   LYS  76          2HB       LYS  76   6.588  -5.405   6.250
  552   1HG   LYS  76          1HG       LYS  76   7.229  -4.380   8.340
  553   2HG   LYS  76          2HG       LYS  76   5.703  -4.851   9.095
  554   1HD   LYS  76          1HD       LYS  76   6.412  -7.307   8.437
  555   2HD   LYS  76          2HD       LYS  76   8.035  -6.606   8.252
  556   1HE   LYS  76          1HE       LYS  76   7.787  -5.654  10.600
  557   2HE   LYS  76          2HE       LYS  76   6.210  -6.454  10.706
  558   1HZ   LYS  76          1HZ       LYS  76   7.327  -8.574  10.429
  559   2HZ   LYS  76          2HZ       LYS  76   8.797  -7.836  10.377
  560   3HZ   LYS  76          3HZ       LYS  76   7.897  -7.785  11.755
  561    H    ALA  77           H        ALA  77   3.160  -2.340   6.258
  562    HA   ALA  77           HA       ALA  77   1.190  -3.577   8.104
  563   1HB   ALA  77          1HB       ALA  77   2.637  -1.725   9.277
  564   2HB   ALA  77          2HB       ALA  77   1.596  -0.603   8.371
  565   3HB   ALA  77          3HB       ALA  77   0.873  -1.759   9.452
  566    H    LYS  78           H        LYS  78   1.666  -0.862   5.853
  567    HA   LYS  78           HA       LYS  78  -1.068  -1.185   4.836
  568   1HB   LYS  78          1HB       LYS  78  -1.864   0.851   5.674
  569   2HB   LYS  78          2HB       LYS  78  -0.735   0.388   6.935
  570   1HG   LYS  78          1HG       LYS  78   0.032   2.476   6.736
  571   2HG   LYS  78          2HG       LYS  78   0.946   1.781   5.415
  572   1HD   LYS  78          1HD       LYS  78  -1.476   2.525   4.181
  573   2HD   LYS  78          2HD       LYS  78  -1.263   3.754   5.419
  574   1HE   LYS  78          1HE       LYS  78  -0.188   4.585   3.405
  575   2HE   LYS  78          2HE       LYS  78   1.069   4.185   4.520
  576   1HZ   LYS  78          1HZ       LYS  78   1.374   2.116   3.284
  577   2HZ   LYS  78          2HZ       LYS  78   0.056   2.261   2.496
  578   3HZ   LYS  78          3HZ       LYS  78   1.324   3.300   2.127
  579    HHA  HEC  90           HHA      HEC  90  -5.734   4.386   3.108
  580    HHB  HEC  90           HHB      HEC  90  -1.279   0.273   0.808
  581    HHC  HEC  90           HHC      HEC  90  -1.759   3.160  -4.935
  582    HHD  HEC  90           HHD      HEC  90  -5.422   7.784  -2.307
  583   1HMA  HEC  90          1HMA      HEC  90  -4.013  -0.725   2.770
  584   2HMA  HEC  90          2HMA      HEC  90  -2.276  -0.673   2.422
  585   3HMA  HEC  90          3HMA      HEC  90  -2.857  -0.144   3.999
  586   1HAA  HEC  90          1HAA      HEC  90  -4.681   2.902   4.932
  587   2HAA  HEC  90          2HAA      HEC  90  -4.529   1.155   4.832
  588   1HBA  HEC  90          1HBA      HEC  90  -6.913   2.850   4.171
  589   2HBA  HEC  90          2HBA      HEC  90  -6.816   1.299   4.991
  590   1HMB  HEC  90          1HMB      HEC  90  -0.071  -1.235  -1.584
  591   2HMB  HEC  90          2HMB      HEC  90   1.262  -0.134  -1.893
  592   3HMB  HEC  90          3HMB      HEC  90   0.544  -0.162  -0.317
  593    HAB  HEC  90           HAB      HEC  90  -0.368   1.613  -5.143
  594   1HBB  HEC  90          1HBB      HEC  90  -1.261  -0.711  -4.803
  595   2HBB  HEC  90          2HBB      HEC  90   0.283  -0.609  -5.667
  596   3HBB  HEC  90          3HBB      HEC  90   0.252  -1.109  -3.968
  597   1HMC  HEC  90          1HMC      HEC  90  -3.733   5.125  -6.889
  598   2HMC  HEC  90          2HMC      HEC  90  -2.376   6.257  -6.627
  599   3HMC  HEC  90          3HMC      HEC  90  -2.138   4.548  -6.455
  600    HAC  HEC  90           HAC      HEC  90  -5.634   7.739  -4.679
  601   1HBC  HEC  90          1HBC      HEC  90  -4.811   7.056  -6.914
  602   2HBC  HEC  90          2HBC      HEC  90  -5.035   8.793  -6.683
  603   3HBC  HEC  90          3HBC      HEC  90  -3.406   8.146  -6.638
  604   1HMD  HEC  90          1HMD      HEC  90  -7.638   8.417  -0.497
  605   2HMD  HEC  90          2HMD      HEC  90  -6.895   9.076   0.974
  606   3HMD  HEC  90          3HMD      HEC  90  -6.062   9.214  -0.573
  607   1HAD  HEC  90          1HAD      HEC  90  -7.736   5.710   2.678
  608   2HAD  HEC  90          2HAD      HEC  90  -8.006   7.345   2.120
  609   1HBD  HEC  90          1HBD      HEC  90  -6.255   8.198   3.649
  610   2HBD  HEC  90          2HBD      HEC  90  -5.970   6.536   4.237
  Start of MODEL   15
    1   1H    ALA  -3          1H        ALA  -3   4.230  -0.069 -14.258
    2   2H    ALA  -3          2H        ALA  -3   4.528   1.411 -14.937
    3   3H    ALA  -3          3H        ALA  -3   4.275   0.095 -15.890
    4    HA   ALA  -3           HA       ALA  -3   6.604   0.707 -15.810
    5   1HB   ALA  -3          1HB       ALA  -3   6.861   1.495 -13.549
    6   2HB   ALA  -3          2HB       ALA  -3   6.278  -0.029 -12.862
    7   3HB   ALA  -3          3HB       ALA  -3   7.838   0.043 -13.713
    8    H    ASP  -2           H        ASP  -2   6.656  -1.985 -13.564
    9    HA   ASP  -2           HA       ASP  -2   5.769  -3.975 -15.472
   10   1HB   ASP  -2          1HB       ASP  -2   8.153  -3.254 -16.198
   11   2HB   ASP  -2          2HB       ASP  -2   8.711  -3.932 -14.659
   12    H    LEU  -1           H        LEU  -1   4.907  -5.651 -14.190
   13    HA   LEU  -1           HA       LEU  -1   5.257  -5.497 -11.329
   14   1HB   LEU  -1          1HB       LEU  -1   3.148  -5.949 -12.403
   15   2HB   LEU  -1          2HB       LEU  -1   3.744  -7.487 -13.036
   16    HG   LEU  -1           HG       LEU  -1   2.285  -7.258 -10.928
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.279  -9.430 -11.750
   18   2HD1  LEU  -1          2HD1      LEU  -1   4.586  -9.193 -10.563
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.923  -9.353 -10.017
   20   1HD2  LEU  -1          1HD2      LEU  -1   4.928  -6.927  -9.502
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.640  -5.702  -9.696
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.330  -7.178  -8.782
   23    H    GLN   1           H        GLN   1   7.600  -5.702 -11.731
   24    HA   GLN   1           HA       GLN   1   8.501  -8.532 -11.711
   25   1HB   GLN   1          1HB       GLN   1   9.245  -6.305 -13.331
   26   2HB   GLN   1          2HB       GLN   1  10.594  -6.490 -12.224
   27   1HG   GLN   1          1HG       GLN   1  11.042  -8.716 -12.988
   28   2HG   GLN   1          2HG       GLN   1   9.414  -8.916 -13.656
   29   1HE2  GLN   1          1HE2      GLN   1   8.777  -7.509 -15.528
   30   2HE2  GLN   1          2HE2      GLN   1  10.006  -7.237 -16.712
   31    H    ASP   2           H        ASP   2   8.174  -5.894  -9.694
   32    HA   ASP   2           HA       ASP   2   9.839  -7.109  -7.599
   33   1HB   ASP   2          1HB       ASP   2  11.327  -5.592  -9.005
   34   2HB   ASP   2          2HB       ASP   2  10.305  -4.229  -8.533
   35    H    ALA   3           H        ALA   3   9.649  -4.741  -6.021
   36    HA   ALA   3           HA       ALA   3   6.744  -4.333  -5.503
   37   1HB   ALA   3          1HB       ALA   3   7.696  -5.909  -3.973
   38   2HB   ALA   3          2HB       ALA   3   9.050  -4.821  -3.577
   39   3HB   ALA   3          3HB       ALA   3   7.395  -4.360  -3.150
   40    H    GLU   4           H        GLU   4  10.134  -3.008  -5.277
   41    HA   GLU   4           HA       GLU   4   9.378  -0.449  -4.276
   42   1HB   GLU   4          1HB       GLU   4  11.627  -1.016  -4.127
   43   2HB   GLU   4          2HB       GLU   4  11.773  -1.435  -5.842
   44   1HG   GLU   4          1HG       GLU   4  11.655   0.879  -6.502
   45   2HG   GLU   4          2HG       GLU   4  11.046   1.385  -4.913
   46    H    ALA   5           H        ALA   5   9.705  -1.741  -7.558
   47    HA   ALA   5           HA       ALA   5   9.109   0.723  -8.930
   48   1HB   ALA   5          1HB       ALA   5  10.276  -1.163  -9.997
   49   2HB   ALA   5          2HB       ALA   5   8.823  -2.175  -9.854
   50   3HB   ALA   5          3HB       ALA   5   8.803  -0.736 -10.895
   51    H    ILE   6           H        ILE   6   7.114  -1.816  -7.528
   52    HA   ILE   6           HA       ILE   6   4.648  -1.135  -8.917
   53    HB   ILE   6           HB       ILE   6   5.405  -2.812  -6.520
   54   1HG1  ILE   6          1HG1      ILE   6   4.666  -4.653  -7.836
   55   2HG1  ILE   6          2HG1      ILE   6   3.983  -3.585  -9.082
   56   1HG2  ILE   6          1HG2      ILE   6   3.208  -1.898  -5.901
   57   2HG2  ILE   6          2HG2      ILE   6   2.570  -2.282  -7.515
   58   3HG2  ILE   6          3HG2      ILE   6   3.034  -3.579  -6.397
   59   1HD1  ILE   6          1HD1      ILE   6   6.136  -3.000  -9.915
   60   2HD1  ILE   6          2HD1      ILE   6   6.962  -3.624  -8.466
   61   3HD1  ILE   6          3HD1      ILE   6   6.227  -4.739  -9.598
   62    H    TYR   7           H        TYR   7   5.947  -0.493  -5.547
   63    HA   TYR   7           HA       TYR   7   3.699   1.216  -5.152
   64   1HB   TYR   7          1HB       TYR   7   4.352   1.569  -2.997
   65   2HB   TYR   7          2HB       TYR   7   5.190   0.069  -3.328
   66    HD1  TYR   7           HD1      TYR   7   7.579   0.038  -3.057
   67    HD2  TYR   7           HD2      TYR   7   5.484   3.796  -3.099
   68    HE1  TYR   7           HE1      TYR   7   9.743   1.269  -2.832
   69    HE2  TYR   7           HE2      TYR   7   7.624   5.004  -2.801
   70    HH   TYR   7           HH       TYR   7   9.909   4.812  -2.784
   71    H    ASN   8           H        ASN   8   6.970   1.879  -6.231
   72    HA   ASN   8           HA       ASN   8   6.750   4.705  -6.244
   73   1HB   ASN   8          1HB       ASN   8   8.824   3.316  -6.130
   74   2HB   ASN   8          2HB       ASN   8   8.559   2.840  -7.822
   75   1HD2  ASN   8          1HD2      ASN   8  10.620   3.679  -8.367
   76   2HD2  ASN   8          2HD2      ASN   8  10.866   5.417  -8.446
   77    H    LYS   9           H        LYS   9   5.700   2.299  -8.632
   78    HA   LYS   9           HA       LYS   9   4.936   4.466 -10.501
   79   1HB   LYS   9          1HB       LYS   9   5.771   2.119 -11.178
   80   2HB   LYS   9          2HB       LYS   9   4.161   1.567 -10.712
   81   1HG   LYS   9          1HG       LYS   9   3.949   1.985 -12.979
   82   2HG   LYS   9          2HG       LYS   9   3.268   3.443 -12.315
   83   1HD   LYS   9          1HD       LYS   9   6.174   3.770 -12.631
   84   2HD   LYS   9          2HD       LYS   9   5.465   3.215 -14.151
   85   1HE   LYS   9          1HE       LYS   9   3.800   5.087 -14.032
   86   2HE   LYS   9          2HE       LYS   9   4.615   5.673 -12.573
   87   1HZ   LYS   9          1HZ       LYS   9   6.637   5.902 -13.891
   88   2HZ   LYS   9          2HZ       LYS   9   5.853   5.403 -15.247
   89   3HZ   LYS   9          3HZ       LYS   9   5.421   6.809 -14.521
   90    H    ALA  10           H        ALA  10   3.404   2.541  -7.963
   91    HA   ALA  10           HA       ALA  10   0.672   3.293  -8.949
   92   1HB   ALA  10          1HB       ALA  10   1.244   0.880  -8.865
   93   2HB   ALA  10          2HB       ALA  10   1.436   1.006  -7.101
   94   3HB   ALA  10          3HB       ALA  10  -0.127   1.337  -7.842
   95    H    CYS  11           H        CYS  11   2.195   2.604  -5.742
   96    HA   CYS  11           HA       CYS  11   0.278   4.326  -4.366
   97   1HB   CYS  11          1HB       CYS  11   2.675   3.351  -2.948
   98   2HB   CYS  11          2HB       CYS  11   0.991   3.347  -2.452
   99    H    THR  12           H        THR  12   1.582   5.774  -6.298
  100    HA   THR  12           HA       THR  12   3.561   7.525  -4.908
  101    HB   THR  12           HB       THR  12   4.455   5.823  -6.622
  102    HG1  THR  12           HG1      THR  12   4.760   8.511  -7.327
  103   1HG2  THR  12          1HG2      THR  12   2.529   6.088  -8.245
  104   2HG2  THR  12          2HG2      THR  12   3.073   7.735  -8.604
  105   3HG2  THR  12          3HG2      THR  12   4.100   6.381  -9.008
  106    H    VAL  13           H        VAL  13   0.567   7.558  -6.056
  107    HA   VAL  13           HA       VAL  13   0.715  10.242  -7.352
  108    HB   VAL  13           HB       VAL  13  -1.553   8.199  -7.156
  109   1HG1  VAL  13          1HG1      VAL  13  -2.292  10.512  -7.481
  110   2HG1  VAL  13          2HG1      VAL  13  -1.124  10.703  -8.811
  111   3HG1  VAL  13          3HG1      VAL  13  -2.505   9.585  -8.981
  112   1HG2  VAL  13          1HG2      VAL  13   0.420   8.731  -9.420
  113   2HG2  VAL  13          2HG2      VAL  13   0.256   7.222  -8.496
  114   3HG2  VAL  13          3HG2      VAL  13  -1.052   7.747  -9.555
  115    H    CYS  14           H        CYS  14  -1.091   8.363  -4.963
  116    HA   CYS  14           HA       CYS  14  -2.170  10.693  -3.558
  117   1HB   CYS  14          1HB       CYS  14  -2.357   7.689  -3.403
  118   2HB   CYS  14          2HB       CYS  14  -3.224   8.759  -2.293
  119    H    HIS  15           H        HIS  15  -0.349   7.763  -2.550
  120    HA   HIS  15           HA       HIS  15   0.101   8.764   0.081
  121   1HB   HIS  15          1HB       HIS  15   1.236   6.427  -1.534
  122   2HB   HIS  15          2HB       HIS  15   1.579   6.685   0.169
  123    HD1  HIS  15           HD1      HIS  15  -0.054   5.896   1.871
  124    HD2  HIS  15           HD2      HIS  15  -1.391   5.714  -2.076
  125    HE1  HIS  15           HE1      HIS  15  -2.009   4.238   1.870
  126    H    SER  16           H        SER  16   1.882   9.490  -2.689
  127    HA   SER  16           HA       SER  16   4.565   9.653  -1.493
  128   1HB   SER  16          1HB       SER  16   3.326  10.169  -4.155
  129   2HB   SER  16          2HB       SER  16   4.692  11.209  -3.752
  130    HG   SER  16           HG       SER  16   5.325   9.192  -4.749
  131    H    MET  17           H        MET  17   1.851  11.789  -2.094
  132    HA   MET  17           HA       MET  17   3.259  14.051  -0.736
  133   1HB   MET  17          1HB       MET  17   2.867  13.996  -3.314
  134   2HB   MET  17          2HB       MET  17   1.190  14.370  -2.932
  135   1HG   MET  17          1HG       MET  17   1.729  16.550  -2.603
  136   2HG   MET  17          2HG       MET  17   3.035  16.151  -1.483
  137   1HE   MET  17          1HE       MET  17   2.990  18.671  -3.481
  138   2HE   MET  17          2HE       MET  17   4.291  18.344  -2.300
  139   3HE   MET  17          3HE       MET  17   4.691  18.655  -4.008
  140    H    GLY  18           H        GLY  18   0.172  12.382  -1.229
  141   1HA   GLY  18          1HA       GLY  18  -1.502  12.038   0.293
  142   2HA   GLY  18          2HA       GLY  18  -0.827  13.237   1.375
  143    H    VAL  19           H        VAL  19  -2.377  12.986  -1.861
  144    HA   VAL  19           HA       VAL  19  -3.571  15.677  -1.626
  145    HB   VAL  19           HB       VAL  19  -3.750  13.608  -3.857
  146   1HG1  VAL  19          1HG1      VAL  19  -5.662  15.165  -3.966
  147   2HG1  VAL  19          2HG1      VAL  19  -4.565  16.552  -3.790
  148   3HG1  VAL  19          3HG1      VAL  19  -4.507  15.538  -5.245
  149   1HG2  VAL  19          1HG2      VAL  19  -2.025  16.111  -3.579
  150   2HG2  VAL  19          2HG2      VAL  19  -1.441  14.433  -3.557
  151   3HG2  VAL  19          3HG2      VAL  19  -2.149  15.098  -5.032
  152    H    ALA  20           H        ALA  20  -4.887  12.441  -2.074
  153    HA   ALA  20           HA       ALA  20  -7.603  13.354  -1.368
  154   1HB   ALA  20          1HB       ALA  20  -7.237  11.804  -3.193
  155   2HB   ALA  20          2HB       ALA  20  -6.442  10.660  -2.090
  156   3HB   ALA  20          3HB       ALA  20  -8.182  11.024  -1.899
  157    H    GLY  21           H        GLY  21  -5.542  13.676   0.568
  158   1HA   GLY  21          1HA       GLY  21  -5.095  13.379   2.827
  159   2HA   GLY  21          2HA       GLY  21  -6.666  12.577   2.977
  160    H    ALA  22           H        ALA  22  -4.328  11.254   0.721
  161    HA   ALA  22           HA       ALA  22  -4.521   8.737   1.851
  162   1HB   ALA  22          1HB       ALA  22  -4.080   9.025  -0.438
  163   2HB   ALA  22          2HB       ALA  22  -2.506   9.785  -0.135
  164   3HB   ALA  22          3HB       ALA  22  -2.758   8.062   0.229
  165    HA   PRO  23           HA       PRO  23  -1.625   8.896   5.236
  166   1HB   PRO  23          1HB       PRO  23  -1.248   6.209   5.696
  167   2HB   PRO  23          2HB       PRO  23  -2.718   7.140   6.105
  168   1HG   PRO  23          1HG       PRO  23  -2.371   5.240   3.840
  169   2HG   PRO  23          2HG       PRO  23  -3.797   5.582   4.829
  170   1HD   PRO  23          1HD       PRO  23  -3.299   6.644   2.276
  171   2HD   PRO  23          2HD       PRO  23  -4.397   7.337   3.494
  172    H    LYS  24           H        LYS  24   0.605   9.059   5.488
  173    HA   LYS  24           HA       LYS  24   2.123   9.218   3.107
  174   1HB   LYS  24          1HB       LYS  24   2.767   9.224   6.025
  175   2HB   LYS  24          2HB       LYS  24   4.116   9.143   4.897
  176   1HG   LYS  24          1HG       LYS  24   3.757  11.217   4.003
  177   2HG   LYS  24          2HG       LYS  24   2.039  11.262   4.412
  178   1HD   LYS  24          1HD       LYS  24   3.925  11.058   6.743
  179   2HD   LYS  24          2HD       LYS  24   4.044  12.565   5.854
  180   1HE   LYS  24          1HE       LYS  24   1.322  11.473   6.688
  181   2HE   LYS  24          2HE       LYS  24   2.327  12.350   7.852
  182   1HZ   LYS  24          1HZ       LYS  24   2.336  14.232   6.415
  183   2HZ   LYS  24          2HZ       LYS  24   1.518  13.438   5.232
  184   3HZ   LYS  24          3HZ       LYS  24   0.772  13.788   6.655
  185    H    SER  25           H        SER  25   3.356   7.881   1.892
  186    HA   SER  25           HA       SER  25   3.391   5.086   2.195
  187   1HB   SER  25          1HB       SER  25   5.220   5.141   0.514
  188   2HB   SER  25          2HB       SER  25   3.792   6.085   0.073
  189    HG   SER  25           HG       SER  25   5.520   7.407  -0.300
  190    H    HIS  26           H        HIS  26   5.241   7.374   3.989
  191    HA   HIS  26           HA       HIS  26   6.669   5.166   5.371
  192   1HB   HIS  26          1HB       HIS  26   8.782   6.692   5.254
  193   2HB   HIS  26          2HB       HIS  26   8.338   5.694   3.878
  194    HD1  HIS  26           HD1      HIS  26   8.507   6.905   1.667
  195    HD2  HIS  26           HD2      HIS  26   7.157   9.326   4.826
  196    HE1  HIS  26           HE1      HIS  26   7.904   9.166   0.650
  197    H    ASN  27           H        ASN  27   4.430   6.382   6.359
  198    HA   ASN  27           HA       ASN  27   5.324   8.275   8.447
  199   1HB   ASN  27          1HB       ASN  27   2.749   7.338   7.386
  200   2HB   ASN  27          2HB       ASN  27   2.867   6.967   9.103
  201   1HD2  ASN  27          1HD2      ASN  27   0.902   8.866   7.996
  202   2HD2  ASN  27          2HD2      ASN  27   1.357  10.348   8.807
  203    H    THR  28           H        THR  28   5.065   7.585  10.782
  204    HA   THR  28           HA       THR  28   5.392   4.593  11.164
  205    HB   THR  28           HB       THR  28   7.296   5.900  11.965
  206    HG1  THR  28           HG1      THR  28   5.837   4.787  14.128
  207   1HG2  THR  28          1HG2      THR  28   6.110   7.985  12.729
  208   2HG2  THR  28          2HG2      THR  28   5.415   7.051  14.078
  209   3HG2  THR  28          3HG2      THR  28   7.164   7.264  13.957
  210    H    ALA  29           H        ALA  29   3.619   7.514  12.246
  211    HA   ALA  29           HA       ALA  29   2.081   6.057  14.198
  212   1HB   ALA  29          1HB       ALA  29   2.577   8.429  14.378
  213   2HB   ALA  29          2HB       ALA  29   1.598   8.761  12.922
  214   3HB   ALA  29          3HB       ALA  29   0.822   8.129  14.397
  215    H    ASP  30           H        ASP  30   1.688   6.538  10.840
  216    HA   ASP  30           HA       ASP  30  -1.165   5.930  10.618
  217   1HB   ASP  30          1HB       ASP  30   0.796   7.285   9.217
  218   2HB   ASP  30          2HB       ASP  30   0.629   5.835   8.208
  219    H    TRP  31           H        TRP  31   1.914   4.298  10.652
  220    HA   TRP  31           HA       TRP  31   0.907   1.780   9.466
  221   1HB   TRP  31          1HB       TRP  31   3.679   2.756  10.176
  222   2HB   TRP  31          2HB       TRP  31   3.313   1.152   9.526
  223    HD1  TRP  31           HD1      TRP  31   2.823   4.844   8.536
  224    HE1  TRP  31           HE1      TRP  31   2.860   5.142   5.994
  225    HE3  TRP  31           HE3      TRP  31   3.576  -0.042   7.172
  226    HZ2  TRP  31           HZ2      TRP  31   3.177   3.501   3.720
  227    HZ3  TRP  31           HZ3      TRP  31   3.285  -0.640   4.772
  228    HH2  TRP  31           HH2      TRP  31   3.034   1.109   3.078
  229    H    GLU  32           H        GLU  32   2.138   3.114  12.592
  230    HA   GLU  32           HA       GLU  32   2.346   0.818  14.112
  231   1HB   GLU  32          1HB       GLU  32   1.530   3.658  14.660
  232   2HB   GLU  32          2HB       GLU  32   1.414   2.473  15.970
  233   1HG   GLU  32          1HG       GLU  32   3.734   2.022  15.943
  234   2HG   GLU  32          2HG       GLU  32   3.962   2.718  14.334
  235    HA   PRO  33           HA       PRO  33  -2.297   0.404  15.025
  236   1HB   PRO  33          1HB       PRO  33  -4.212   2.004  13.958
  237   2HB   PRO  33          2HB       PRO  33  -3.162   2.561  15.287
  238   1HG   PRO  33          1HG       PRO  33  -2.737   3.051  12.315
  239   2HG   PRO  33          2HG       PRO  33  -2.814   4.274  13.618
  240   1HD   PRO  33          1HD       PRO  33  -0.467   3.280  12.749
  241   2HD   PRO  33          2HD       PRO  33  -0.729   3.618  14.488
  242    H    ARG  34           H        ARG  34  -0.701  -0.086  12.355
  243    HA   ARG  34           HA       ARG  34  -2.825  -1.690  11.000
  244   1HB   ARG  34          1HB       ARG  34  -0.475  -0.210   9.763
  245   2HB   ARG  34          2HB       ARG  34  -1.595  -1.249   8.895
  246   1HG   ARG  34          1HG       ARG  34  -2.332   1.347  10.381
  247   2HG   ARG  34          2HG       ARG  34  -1.916   1.258   8.698
  248   1HD   ARG  34          1HD       ARG  34  -4.053   0.980   8.253
  249   2HD   ARG  34          2HD       ARG  34  -3.834  -0.685   8.830
  250    HE   ARG  34           HE       ARG  34  -4.337   0.470  11.166
  251   1HH1  ARG  34          2HH1      ARG  34  -6.169   0.687   8.176
  252   2HH1  ARG  34          1HH1      ARG  34  -7.603   1.316   8.943
  253   1HH2  ARG  34          1HH2      ARG  34  -6.144   1.314  12.150
  254   2HH2  ARG  34          2HH2      ARG  34  -7.603   1.620  11.240
  255    H    LEU  35           H        LEU  35   0.674  -1.351  11.681
  256    HA   LEU  35           HA       LEU  35   1.553  -3.986  11.234
  257   1HB   LEU  35          1HB       LEU  35   2.682  -1.555  11.893
  258   2HB   LEU  35          2HB       LEU  35   2.824  -2.385  13.430
  259    HG   LEU  35           HG       LEU  35   3.924  -3.275  10.730
  260   1HD1  LEU  35          1HD1      LEU  35   5.088  -1.346  11.686
  261   2HD1  LEU  35          2HD1      LEU  35   5.354  -2.245  13.197
  262   3HD1  LEU  35          3HD1      LEU  35   6.111  -2.788  11.684
  263   1HD2  LEU  35          1HD2      LEU  35   4.200  -4.603  13.446
  264   2HD2  LEU  35          2HD2      LEU  35   3.453  -5.287  11.975
  265   3HD2  LEU  35          3HD2      LEU  35   5.191  -4.980  12.020
  266    H    ALA  36           H        ALA  36  -0.504  -2.783  13.705
  267    HA   ALA  36           HA       ALA  36   0.278  -4.654  15.831
  268   1HB   ALA  36          1HB       ALA  36  -0.443  -2.360  16.397
  269   2HB   ALA  36          2HB       ALA  36  -2.004  -2.642  15.594
  270   3HB   ALA  36          3HB       ALA  36  -1.571  -3.567  17.049
  271    H    LYS  37           H        LYS  37  -1.961  -4.340  13.135
  272    HA   LYS  37           HA       LYS  37  -3.727  -6.469  14.042
  273   1HB   LYS  37          1HB       LYS  37  -3.444  -4.956  11.418
  274   2HB   LYS  37          2HB       LYS  37  -4.617  -6.245  11.664
  275   1HG   LYS  37          1HG       LYS  37  -4.563  -4.054  13.724
  276   2HG   LYS  37          2HG       LYS  37  -5.126  -3.591  12.125
  277   1HD   LYS  37          1HD       LYS  37  -6.218  -6.068  13.525
  278   2HD   LYS  37          2HD       LYS  37  -6.853  -4.453  13.881
  279   1HE   LYS  37          1HE       LYS  37  -7.361  -4.091  11.472
  280   2HE   LYS  37          2HE       LYS  37  -6.768  -5.712  11.086
  281   1HZ   LYS  37          1HZ       LYS  37  -8.506  -6.621  12.466
  282   2HZ   LYS  37          2HZ       LYS  37  -9.037  -5.121  12.883
  283   3HZ   LYS  37          3HZ       LYS  37  -9.171  -5.636  11.329
  284    H    GLY  38           H        GLY  38  -1.307  -5.963  11.497
  285   1HA   GLY  38          1HA       GLY  38   0.367  -8.119  11.809
  286   2HA   GLY  38          2HA       GLY  38  -0.980  -8.812  10.890
  287    H    VAL  39           H        VAL  39  -0.708  -8.761   8.747
  288    HA   VAL  39           HA       VAL  39   0.364  -6.369   7.392
  289    HB   VAL  39           HB       VAL  39   1.587  -8.334   5.901
  290   1HG1  VAL  39          1HG1      VAL  39   2.428  -6.167   6.707
  291   2HG1  VAL  39          2HG1      VAL  39   2.813  -6.922   8.265
  292   3HG1  VAL  39          3HG1      VAL  39   3.652  -7.455   6.780
  293   1HG2  VAL  39          1HG2      VAL  39   2.204  -9.133   8.789
  294   2HG2  VAL  39          2HG2      VAL  39   1.175 -10.090   7.723
  295   3HG2  VAL  39          3HG2      VAL  39   2.869  -9.821   7.299
  296    H    ASP  40           H        ASP  40  -0.725  -9.742   6.727
  297    HA   ASP  40           HA       ASP  40  -1.839  -9.103   4.261
  298   1HB   ASP  40          1HB       ASP  40  -2.749 -11.428   5.948
  299   2HB   ASP  40          2HB       ASP  40  -2.488 -11.351   4.197
  300    H    ASN  41           H        ASN  41  -2.922  -7.487   6.651
  301    HA   ASN  41           HA       ASN  41  -5.854  -7.950   6.381
  302   1HB   ASN  41          1HB       ASN  41  -4.986  -5.744   8.164
  303   2HB   ASN  41          2HB       ASN  41  -6.056  -7.067   8.540
  304   1HD2  ASN  41          1HD2      ASN  41  -2.917  -5.771   9.066
  305   2HD2  ASN  41          2HD2      ASN  41  -2.369  -7.165   9.962
  306    H    LEU  42           H        LEU  42  -3.233  -5.884   5.481
  307    HA   LEU  42           HA       LEU  42  -5.068  -3.700   4.572
  308   1HB   LEU  42          1HB       LEU  42  -2.078  -3.852   5.110
  309   2HB   LEU  42          2HB       LEU  42  -2.921  -2.479   4.431
  310    HG   LEU  42           HG       LEU  42  -2.763  -1.825   6.638
  311   1HD1  LEU  42          1HD1      LEU  42  -5.108  -1.688   6.020
  312   2HD1  LEU  42          2HD1      LEU  42  -5.421  -3.321   6.665
  313   3HD1  LEU  42          3HD1      LEU  42  -4.975  -2.037   7.743
  314   1HD2  LEU  42          1HD2      LEU  42  -3.186  -4.689   7.475
  315   2HD2  LEU  42          2HD2      LEU  42  -1.734  -3.717   7.662
  316   3HD2  LEU  42          3HD2      LEU  42  -3.165  -3.327   8.613
  317    H    VAL  43           H        VAL  43  -2.452  -5.856   3.405
  318    HA   VAL  43           HA       VAL  43  -2.595  -5.047   0.708
  319    HB   VAL  43           HB       VAL  43  -0.965  -6.650   1.915
  320   1HG1  VAL  43          1HG1      VAL  43  -2.792  -8.353   2.451
  321   2HG1  VAL  43          2HG1      VAL  43  -2.800  -8.771   0.728
  322   3HG1  VAL  43          3HG1      VAL  43  -1.326  -8.998   1.682
  323   1HG2  VAL  43          1HG2      VAL  43  -1.838  -7.208  -0.947
  324   2HG2  VAL  43          2HG2      VAL  43  -0.702  -5.947  -0.424
  325   3HG2  VAL  43          3HG2      VAL  43  -0.286  -7.654  -0.204
  326    H    LYS  44           H        LYS  44  -4.775  -7.177   2.605
  327    HA   LYS  44           HA       LYS  44  -6.301  -7.988   0.364
  328   1HB   LYS  44          1HB       LYS  44  -8.138  -8.457   1.945
  329   2HB   LYS  44          2HB       LYS  44  -6.600  -9.253   2.308
  330   1HG   LYS  44          1HG       LYS  44  -6.179  -8.013   4.144
  331   2HG   LYS  44          2HG       LYS  44  -7.059  -6.595   3.612
  332   1HD   LYS  44          1HD       LYS  44  -8.615  -9.090   4.229
  333   2HD   LYS  44          2HD       LYS  44  -8.002  -8.091   5.562
  334   1HE   LYS  44          1HE       LYS  44  -9.061  -6.100   4.778
  335   2HE   LYS  44          2HE       LYS  44  -9.533  -6.843   3.243
  336   1HZ   LYS  44          1HZ       LYS  44 -11.022  -8.286   4.431
  337   2HZ   LYS  44          2HZ       LYS  44 -10.557  -7.673   5.884
  338   3HZ   LYS  44          3HZ       LYS  44 -11.368  -6.723   4.812
  339    H    SER  45           H        SER  45  -6.516  -5.022   2.366
  340    HA   SER  45           HA       SER  45  -9.030  -4.124   1.188
  341   1HB   SER  45          1HB       SER  45  -6.931  -2.918   2.974
  342   2HB   SER  45          2HB       SER  45  -8.107  -1.881   2.155
  343    HG   SER  45           HG       SER  45  -8.937  -2.502   4.116
  344    H    VAL  46           H        VAL  46  -5.556  -3.805   0.526
  345    HA   VAL  46           HA       VAL  46  -5.738  -1.843  -1.471
  346    HB   VAL  46           HB       VAL  46  -3.801  -4.002  -0.901
  347   1HG1  VAL  46          1HG1      VAL  46  -3.618  -3.736  -3.301
  348   2HG1  VAL  46          2HG1      VAL  46  -3.514  -1.962  -3.106
  349   3HG1  VAL  46          3HG1      VAL  46  -2.215  -3.014  -2.500
  350   1HG2  VAL  46          1HG2      VAL  46  -3.457  -1.025  -0.736
  351   2HG2  VAL  46          2HG2      VAL  46  -3.934  -2.055   0.632
  352   3HG2  VAL  46          3HG2      VAL  46  -2.354  -2.279  -0.130
  353    H    LYS  47           H        LYS  47  -5.753  -5.400  -1.869
  354    HA   LYS  47           HA       LYS  47  -6.399  -5.401  -4.649
  355   1HB   LYS  47          1HB       LYS  47  -6.385  -7.598  -4.515
  356   2HB   LYS  47          2HB       LYS  47  -5.617  -7.170  -2.984
  357   1HG   LYS  47          1HG       LYS  47  -8.234  -7.325  -2.175
  358   2HG   LYS  47          2HG       LYS  47  -8.323  -8.391  -3.561
  359   1HD   LYS  47          1HD       LYS  47  -5.970  -8.756  -1.711
  360   2HD   LYS  47          2HD       LYS  47  -7.553  -9.029  -0.979
  361   1HE   LYS  47          1HE       LYS  47  -6.743 -10.417  -3.557
  362   2HE   LYS  47          2HE       LYS  47  -6.328 -11.065  -1.963
  363   1HZ   LYS  47          1HZ       LYS  47  -8.641 -11.083  -1.383
  364   2HZ   LYS  47          2HZ       LYS  47  -9.077 -10.458  -2.838
  365   3HZ   LYS  47          3HZ       LYS  47  -8.418 -11.967  -2.751
  366    H    THR  48           H        THR  48  -8.544  -5.140  -1.859
  367    HA   THR  48           HA       THR  48 -10.991  -5.323  -3.358
  368    HB   THR  48           HB       THR  48 -10.303  -4.168  -0.644
  369    HG1  THR  48           HG1      THR  48 -11.415  -6.118  -0.051
  370   1HG2  THR  48          1HG2      THR  48 -12.354  -3.035  -1.280
  371   2HG2  THR  48          2HG2      THR  48 -13.066  -4.567  -1.840
  372   3HG2  THR  48          3HG2      THR  48 -12.724  -4.307  -0.115
  373    H    GLY  49           H        GLY  49  -8.912  -2.485  -2.556
  374   1HA   GLY  49          1HA       GLY  49  -8.960  -0.408  -3.646
  375   2HA   GLY  49          2HA       GLY  49 -10.443  -0.841  -4.502
  376    H    LEU  50           H        LEU  50  -9.101   0.585  -1.660
  377    HA   LEU  50           HA       LEU  50 -11.444   0.933  -0.076
  378   1HB   LEU  50          1HB       LEU  50  -8.823   1.466   0.223
  379   2HB   LEU  50          2HB       LEU  50  -9.342   3.070  -0.239
  380    HG   LEU  50           HG       LEU  50 -11.049   2.800   1.759
  381   1HD1  LEU  50          1HD1      LEU  50 -10.804   0.358   2.086
  382   2HD1  LEU  50          2HD1      LEU  50  -9.064   0.552   2.337
  383   3HD1  LEU  50          3HD1      LEU  50 -10.204   1.222   3.514
  384   1HD2  LEU  50          1HD2      LEU  50  -8.037   2.960   2.078
  385   2HD2  LEU  50          2HD2      LEU  50  -9.163   4.296   1.775
  386   3HD2  LEU  50          3HD2      LEU  50  -9.203   3.446   3.337
  387    H    ASN  51           H        ASN  51 -12.384   3.130   0.320
  388    HA   ASN  51           HA       ASN  51 -14.040   3.857  -1.731
  389   1HB   ASN  51          1HB       ASN  51 -13.166   5.862   0.422
  390   2HB   ASN  51          2HB       ASN  51 -14.704   5.811  -0.430
  391   1HD2  ASN  51          1HD2      ASN  51 -12.659   4.458   2.063
  392   2HD2  ASN  51          2HD2      ASN  51 -13.614   3.031   2.378
  393    H    ALA  52           H        ALA  52 -11.343   5.795  -0.649
  394    HA   ALA  52           HA       ALA  52 -11.161   7.318  -3.191
  395   1HB   ALA  52          1HB       ALA  52 -11.231   8.508  -1.056
  396   2HB   ALA  52          2HB       ALA  52  -9.817   7.614  -0.481
  397   3HB   ALA  52          3HB       ALA  52  -9.667   8.757  -1.851
  398    H    MET  53           H        MET  53 -10.254   4.315  -2.686
  399    HA   MET  53           HA       MET  53  -7.624   4.774  -4.041
  400   1HB   MET  53          1HB       MET  53  -7.398   3.984  -1.672
  401   2HB   MET  53          2HB       MET  53  -8.202   2.475  -2.167
  402   1HG   MET  53          1HG       MET  53  -6.457   2.045  -3.820
  403   2HG   MET  53          2HG       MET  53  -5.753   3.622  -3.501
  404   1HE   MET  53          1HE       MET  53  -6.931   1.030  -0.787
  405   2HE   MET  53          2HE       MET  53  -6.236   0.035  -2.078
  406   3HE   MET  53          3HE       MET  53  -5.419   0.130  -0.493
  407    HA   PRO  54           HA       PRO  54  -9.464   2.299  -7.282
  408   1HB   PRO  54          1HB       PRO  54  -7.232   1.790  -8.850
  409   2HB   PRO  54          2HB       PRO  54  -8.085   3.361  -8.799
  410   1HG   PRO  54          1HG       PRO  54  -5.664   2.509  -7.202
  411   2HG   PRO  54          2HG       PRO  54  -5.845   3.992  -8.196
  412   1HD   PRO  54          1HD       PRO  54  -6.187   4.023  -5.557
  413   2HD   PRO  54          2HD       PRO  54  -7.330   4.944  -6.573
  414    HA   PRO  55           HA       PRO  55  -9.010  -1.850  -5.968
  415   1HB   PRO  55          1HB       PRO  55  -9.300  -3.380  -8.229
  416   2HB   PRO  55          2HB       PRO  55 -10.635  -2.473  -7.465
  417   1HG   PRO  55          1HG       PRO  55  -8.915  -1.609  -9.802
  418   2HG   PRO  55          2HG       PRO  55 -10.700  -1.565  -9.680
  419   1HD   PRO  55          1HD       PRO  55  -9.205   0.633  -9.210
  420   2HD   PRO  55          2HD       PRO  55 -10.635   0.295  -8.194
  421    H    GLY  56           H        GLY  56  -7.315  -3.171  -5.394
  422   1HA   GLY  56          1HA       GLY  56  -5.139  -3.984  -5.395
  423   2HA   GLY  56          2HA       GLY  56  -5.216  -3.839  -7.155
  424    H    GLY  57           H        GLY  57  -5.763  -1.060  -5.093
  425   1HA   GLY  57          1HA       GLY  57  -4.672   0.926  -4.851
  426   2HA   GLY  57          2HA       GLY  57  -3.256  -0.044  -4.461
  427    H    MET  58           H        MET  58  -4.895   0.042  -7.610
  428    HA   MET  58           HA       MET  58  -4.294   0.698  -9.664
  429   1HB   MET  58          1HB       MET  58  -3.764   2.888  -8.383
  430   2HB   MET  58          2HB       MET  58  -2.075   2.502  -8.637
  431   1HG   MET  58          1HG       MET  58  -4.005   2.574 -10.996
  432   2HG   MET  58          2HG       MET  58  -3.434   4.045 -10.237
  433   1HE   MET  58          1HE       MET  58  -2.198   0.841 -12.176
  434   2HE   MET  58          2HE       MET  58  -2.891   2.071 -13.254
  435   3HE   MET  58          3HE       MET  58  -1.151   1.712 -13.316
  436    H    CYS  59           H        CYS  59  -3.343  -1.686  -8.669
  437    HA   CYS  59           HA       CYS  59  -1.100  -1.993 -10.647
  438   1HB   CYS  59          1HB       CYS  59  -0.316  -2.469  -8.307
  439   2HB   CYS  59          2HB       CYS  59  -1.499  -3.779  -8.248
  440    H    THR  60           H        THR  60  -3.783  -3.765  -9.045
  441    HA   THR  60           HA       THR  60  -5.355  -5.165  -9.822
  442    HB   THR  60           HB       THR  60  -4.626  -4.340 -12.669
  443    HG1  THR  60           HG1      THR  60  -6.300  -2.836 -12.326
  444   1HG2  THR  60          1HG2      THR  60  -6.093  -6.342 -12.532
  445   2HG2  THR  60          2HG2      THR  60  -7.198  -5.442 -11.467
  446   3HG2  THR  60          3HG2      THR  60  -6.954  -4.923 -13.147
  447    H    ASP  61           H        ASP  61  -2.742  -5.500 -12.278
  448    HA   ASP  61           HA       ASP  61  -2.831  -8.439 -11.979
  449   1HB   ASP  61          1HB       ASP  61  -2.806  -7.271 -14.209
  450   2HB   ASP  61          2HB       ASP  61  -1.175  -6.681 -13.841
  451    H    CYS  62           H        CYS  62  -2.149  -7.642  -9.624
  452    HA   CYS  62           HA       CYS  62   0.831  -8.012  -9.340
  453   1HB   CYS  62          1HB       CYS  62  -1.089  -6.298  -7.825
  454   2HB   CYS  62          2HB       CYS  62   0.167  -7.156  -6.913
  455    H    THR  63           H        THR  63   1.487  -9.699  -8.094
  456    HA   THR  63           HA       THR  63  -0.577 -11.566  -7.007
  457    HB   THR  63           HB       THR  63   2.373 -11.972  -7.646
  458    HG1  THR  63           HG1      THR  63   1.692 -12.797  -9.514
  459   1HG2  THR  63          1HG2      THR  63   1.568 -13.596  -5.953
  460   2HG2  THR  63          2HG2      THR  63   0.165 -13.970  -6.985
  461   3HG2  THR  63          3HG2      THR  63   1.807 -14.381  -7.518
  462    H    ASP  64           H        ASP  64  -0.447 -12.214  -4.771
  463    HA   ASP  64           HA       ASP  64   0.226 -10.505  -2.812
  464   1HB   ASP  64          1HB       ASP  64  -0.015 -13.468  -3.010
  465   2HB   ASP  64          2HB       ASP  64   0.453 -12.733  -1.472
  466    H    GLU  65           H        GLU  65   2.640 -12.818  -4.161
  467    HA   GLU  65           HA       GLU  65   4.868 -12.328  -2.560
  468   1HB   GLU  65          1HB       GLU  65   4.461 -12.637  -5.554
  469   2HB   GLU  65          2HB       GLU  65   6.077 -12.478  -4.873
  470   1HG   GLU  65          1HG       GLU  65   4.262 -14.543  -3.609
  471   2HG   GLU  65          2HG       GLU  65   4.926 -14.874  -5.213
  472    H    ASP  66           H        ASP  66   4.057 -10.360  -5.478
  473    HA   ASP  66           HA       ASP  66   5.975  -8.313  -4.912
  474   1HB   ASP  66          1HB       ASP  66   3.630  -8.160  -6.826
  475   2HB   ASP  66          2HB       ASP  66   5.269  -7.513  -7.051
  476    H    TYR  67           H        TYR  67   2.453  -8.703  -4.499
  477    HA   TYR  67           HA       TYR  67   1.847  -6.011  -3.838
  478   1HB   TYR  67          1HB       TYR  67   0.547  -8.628  -3.820
  479   2HB   TYR  67          2HB       TYR  67   0.100  -7.772  -2.374
  480    HD1  TYR  67           HD1      TYR  67  -1.552  -8.750  -4.853
  481    HD2  TYR  67           HD2      TYR  67  -0.064  -4.922  -3.513
  482    HE1  TYR  67           HE1      TYR  67  -3.184  -7.591  -6.309
  483    HE2  TYR  67           HE2      TYR  67  -1.603  -3.788  -5.073
  484    HH   TYR  67           HH       TYR  67  -2.958  -4.067  -6.794
  485    H    LYS  68           H        LYS  68   2.462  -8.807  -1.703
  486    HA   LYS  68           HA       LYS  68   2.412  -7.348   0.737
  487   1HB   LYS  68          1HB       LYS  68   3.027  -9.223   1.866
  488   2HB   LYS  68          2HB       LYS  68   2.171  -9.881   0.473
  489   1HG   LYS  68          1HG       LYS  68   4.390 -10.369  -0.588
  490   2HG   LYS  68          2HG       LYS  68   5.230  -9.709   0.804
  491   1HD   LYS  68          1HD       LYS  68   3.220 -11.864   1.347
  492   2HD   LYS  68          2HD       LYS  68   4.687 -12.317   0.459
  493   1HE   LYS  68          1HE       LYS  68   6.094 -11.226   2.238
  494   2HE   LYS  68          2HE       LYS  68   4.622 -10.893   3.169
  495   1HZ   LYS  68          1HZ       LYS  68   4.249 -13.270   3.271
  496   2HZ   LYS  68          2HZ       LYS  68   5.588 -13.565   2.358
  497   3HZ   LYS  68          3HZ       LYS  68   5.747 -12.922   3.865
  498    H    ALA  69           H        ALA  69   5.134  -8.392  -1.454
  499    HA   ALA  69           HA       ALA  69   7.177  -7.196   0.058
  500   1HB   ALA  69          1HB       ALA  69   7.670  -8.690  -1.705
  501   2HB   ALA  69          2HB       ALA  69   6.929  -7.627  -2.905
  502   3HB   ALA  69          3HB       ALA  69   8.429  -7.133  -2.068
  503    H    ALA  70           H        ALA  70   4.586  -5.640  -1.642
  504    HA   ALA  70           HA       ALA  70   6.056  -3.077  -2.056
  505   1HB   ALA  70          1HB       ALA  70   4.796  -3.967  -3.979
  506   2HB   ALA  70          2HB       ALA  70   3.291  -3.848  -3.039
  507   3HB   ALA  70          3HB       ALA  70   4.216  -2.391  -3.432
  508    H    ILE  71           H        ILE  71   4.204  -4.525   0.312
  509    HA   ILE  71           HA       ILE  71   3.677  -1.860   1.592
  510    HB   ILE  71           HB       ILE  71   1.651  -2.846   1.583
  511   1HG1  ILE  71          1HG1      ILE  71   2.679  -2.593   3.971
  512   2HG1  ILE  71          2HG1      ILE  71   1.058  -3.265   3.672
  513   1HG2  ILE  71          1HG2      ILE  71   2.081  -4.964   0.588
  514   2HG2  ILE  71          2HG2      ILE  71   2.882  -5.525   2.089
  515   3HG2  ILE  71          3HG2      ILE  71   1.126  -5.211   2.036
  516   1HD1  ILE  71          1HD1      ILE  71   1.805  -5.524   4.140
  517   2HD1  ILE  71          2HD1      ILE  71   3.500  -4.995   4.254
  518   3HD1  ILE  71          3HD1      ILE  71   2.299  -4.467   5.427
  519    H    GLU  72           H        GLU  72   5.146  -5.057   1.987
  520    HA   GLU  72           HA       GLU  72   6.290  -4.608   4.524
  521   1HB   GLU  72          1HB       GLU  72   7.221  -6.618   4.389
  522   2HB   GLU  72          2HB       GLU  72   6.044  -6.794   3.102
  523   1HG   GLU  72          1HG       GLU  72   7.957  -7.639   2.120
  524   2HG   GLU  72          2HG       GLU  72   8.087  -5.961   1.569
  525    H    PHE  73           H        PHE  73   7.531  -3.825   1.283
  526    HA   PHE  73           HA       PHE  73  10.037  -2.840   1.992
  527   1HB   PHE  73          1HB       PHE  73   9.127  -3.052  -0.295
  528   2HB   PHE  73          2HB       PHE  73   8.108  -1.638  -0.036
  529    HD1  PHE  73           HD1      PHE  73  11.515  -2.911  -0.607
  530    HD2  PHE  73           HD2      PHE  73   9.183   0.640   0.127
  531    HE1  PHE  73           HE1      PHE  73  13.371  -1.505  -1.478
  532    HE2  PHE  73           HE2      PHE  73  11.070   2.040  -0.684
  533    HZ   PHE  73           HZ       PHE  73  13.122   0.966  -1.568
  534    H    MET  74           H        MET  74   6.891  -1.230   2.544
  535    HA   MET  74           HA       MET  74   8.153   1.296   3.322
  536   1HB   MET  74          1HB       MET  74   5.348   0.206   3.454
  537   2HB   MET  74          2HB       MET  74   5.806   1.777   4.183
  538   1HG   MET  74          1HG       MET  74   4.982   2.407   2.112
  539   2HG   MET  74          2HG       MET  74   6.713   2.336   1.807
  540   1HE   MET  74          1HE       MET  74   3.107   0.399   1.078
  541   2HE   MET  74          2HE       MET  74   3.456   2.038   0.455
  542   3HE   MET  74          3HE       MET  74   3.413   0.658  -0.633
  543    H    SER  75           H        SER  75   6.146  -1.126   5.145
  544    HA   SER  75           HA       SER  75   8.030  -1.111   7.343
  545   1HB   SER  75          1HB       SER  75   6.946   1.292   7.515
  546   2HB   SER  75          2HB       SER  75   5.552   0.426   8.163
  547    HG   SER  75           HG       SER  75   6.978   1.023   9.825
  548    H    LYS  76           H        LYS  76   6.614  -3.068   5.908
  549    HA   LYS  76           HA       LYS  76   4.922  -4.705   6.079
  550   1HB   LYS  76          1HB       LYS  76   5.542  -6.252   7.929
  551   2HB   LYS  76          2HB       LYS  76   6.839  -5.776   6.836
  552   1HG   LYS  76          1HG       LYS  76   7.704  -4.157   8.450
  553   2HG   LYS  76          2HG       LYS  76   6.412  -4.549   9.593
  554   1HD   LYS  76          1HD       LYS  76   8.485  -6.531   8.495
  555   2HD   LYS  76          2HD       LYS  76   8.701  -5.589   9.979
  556   1HE   LYS  76          1HE       LYS  76   6.542  -6.608  10.863
  557   2HE   LYS  76          2HE       LYS  76   6.537  -7.689   9.463
  558   1HZ   LYS  76          1HZ       LYS  76   8.687  -8.516  10.187
  559   2HZ   LYS  76          2HZ       LYS  76   8.685  -7.501  11.480
  560   3HZ   LYS  76          3HZ       LYS  76   7.571  -8.705  11.383
  561    H    ALA  77           H        ALA  77   3.537  -2.593   6.423
  562    HA   ALA  77           HA       ALA  77   1.432  -3.707   8.141
  563   1HB   ALA  77          1HB       ALA  77   2.595  -1.988   9.538
  564   2HB   ALA  77          2HB       ALA  77   2.014  -0.742   8.432
  565   3HB   ALA  77          3HB       ALA  77   0.865  -1.780   9.258
  566    H    LYS  78           H        LYS  78   1.498  -0.574   6.477
  567    HA   LYS  78           HA       LYS  78  -1.021  -1.398   5.138
  568   1HB   LYS  78          1HB       LYS  78  -1.940   0.649   5.763
  569   2HB   LYS  78          2HB       LYS  78  -0.897   0.214   7.093
  570   1HG   LYS  78          1HG       LYS  78  -0.069   2.296   6.946
  571   2HG   LYS  78          2HG       LYS  78   0.844   1.668   5.589
  572   1HD   LYS  78          1HD       LYS  78  -1.662   2.409   4.459
  573   2HD   LYS  78          2HD       LYS  78  -1.372   3.625   5.695
  574   1HE   LYS  78          1HE       LYS  78  -0.429   4.463   3.636
  575   2HE   LYS  78          2HE       LYS  78   0.910   4.048   4.659
  576   1HZ   LYS  78          1HZ       LYS  78   1.144   2.005   3.404
  577   2HZ   LYS  78          2HZ       LYS  78  -0.225   2.125   2.710
  578   3HZ   LYS  78          3HZ       LYS  78   0.997   3.177   2.245
  579    HHA  HEC  90           HHA      HEC  90  -5.955   4.170   3.191
  580    HHB  HEC  90           HHB      HEC  90  -1.462   0.083   1.017
  581    HHC  HEC  90           HHC      HEC  90  -1.657   2.973  -4.730
  582    HHD  HEC  90           HHD      HEC  90  -5.653   7.442  -2.329
  583   1HMA  HEC  90          1HMA      HEC  90  -4.154  -0.955   2.924
  584   2HMA  HEC  90          2HMA      HEC  90  -2.410  -0.850   2.675
  585   3HMA  HEC  90          3HMA      HEC  90  -3.108  -0.315   4.208
  586   1HAA  HEC  90          1HAA      HEC  90  -4.994   2.886   4.952
  587   2HAA  HEC  90          2HAA      HEC  90  -4.447   1.228   5.132
  588   1HBA  HEC  90          1HBA      HEC  90  -7.088   2.133   3.933
  589   2HBA  HEC  90          2HBA      HEC  90  -6.836   1.261   5.443
  590   1HMB  HEC  90          1HMB      HEC  90  -0.313  -1.455  -1.144
  591   2HMB  HEC  90          2HMB      HEC  90   1.102  -0.540  -1.675
  592   3HMB  HEC  90          3HMB      HEC  90   0.512  -0.334  -0.050
  593    HAB  HEC  90           HAB      HEC  90  -0.248   1.441  -4.860
  594   1HBB  HEC  90          1HBB      HEC  90  -1.084  -0.881  -4.699
  595   2HBB  HEC  90          2HBB      HEC  90   0.571  -0.763  -5.312
  596   3HBB  HEC  90          3HBB      HEC  90   0.286  -1.290  -3.650
  597   1HMC  HEC  90          1HMC      HEC  90  -3.666   5.002  -6.857
  598   2HMC  HEC  90          2HMC      HEC  90  -2.211   5.935  -6.415
  599   3HMC  HEC  90          3HMC      HEC  90  -2.225   4.181  -6.347
  600    HAC  HEC  90           HAC      HEC  90  -5.842   7.363  -4.574
  601   1HBC  HEC  90          1HBC      HEC  90  -5.340   6.407  -6.773
  602   2HBC  HEC  90          2HBC      HEC  90  -5.448   8.175  -6.751
  603   3HBC  HEC  90          3HBC      HEC  90  -3.857   7.425  -6.818
  604   1HMD  HEC  90          1HMD      HEC  90  -7.622   8.100  -0.965
  605   2HMD  HEC  90          2HMD      HEC  90  -7.619   8.567   0.750
  606   3HMD  HEC  90          3HMD      HEC  90  -6.262   8.989  -0.285
  607   1HAD  HEC  90          1HAD      HEC  90  -7.741   5.555   3.017
  608   2HAD  HEC  90          2HAD      HEC  90  -8.378   6.837   2.015
  609   1HBD  HEC  90          1HBD      HEC  90  -6.626   8.376   3.116
  610   2HBD  HEC  90          2HBD      HEC  90  -6.329   7.019   4.238
  Start of MODEL   16
    1   1H    ALA  -3          1H        ALA  -3   4.939  -0.131 -13.623
    2   2H    ALA  -3          2H        ALA  -3   3.623   0.687 -13.057
    3   3H    ALA  -3          3H        ALA  -3   4.030  -0.753 -12.397
    4    HA   ALA  -3           HA       ALA  -3   2.158  -1.062 -13.816
    5   1HB   ALA  -3          1HB       ALA  -3   2.525   1.004 -15.132
    6   2HB   ALA  -3          2HB       ALA  -3   3.883   0.224 -15.973
    7   3HB   ALA  -3          3HB       ALA  -3   2.232  -0.396 -16.174
    8    H    ASP  -2           H        ASP  -2   4.414  -2.686 -12.843
    9    HA   ASP  -2           HA       ASP  -2   4.208  -4.919 -14.600
   10   1HB   ASP  -2          1HB       ASP  -2   5.938  -3.535 -15.828
   11   2HB   ASP  -2          2HB       ASP  -2   6.942  -3.556 -14.369
   12    H    LEU  -1           H        LEU  -1   4.208  -6.592 -13.161
   13    HA   LEU  -1           HA       LEU  -1   4.944  -6.153 -10.371
   14   1HB   LEU  -1          1HB       LEU  -1   3.876  -8.145  -9.868
   15   2HB   LEU  -1          2HB       LEU  -1   2.906  -7.239 -11.005
   16    HG   LEU  -1           HG       LEU  -1   2.516  -9.231 -11.871
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.610  -8.285 -13.779
   18   2HD1  LEU  -1          2HD1      LEU  -1   5.213  -8.827 -13.206
   19   3HD1  LEU  -1          3HD1      LEU  -1   3.986 -10.000 -13.698
   20   1HD2  LEU  -1          1HD2      LEU  -1   5.137 -10.455 -11.001
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.607 -10.484 -10.106
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.726 -11.261 -11.681
   23    H    GLN   1           H        GLN   1   7.188  -5.909 -11.981
   24    HA   GLN   1           HA       GLN   1   8.702  -8.411 -11.545
   25   1HB   GLN   1          1HB       GLN   1   8.782  -6.117 -13.446
   26   2HB   GLN   1          2HB       GLN   1  10.377  -6.452 -12.807
   27   1HG   GLN   1          1HG       GLN   1   8.594  -8.558 -14.104
   28   2HG   GLN   1          2HG       GLN   1   9.881  -7.662 -14.917
   29   1HE2  GLN   1          1HE2      GLN   1   9.224 -10.238 -12.559
   30   2HE2  GLN   1          2HE2      GLN   1  10.908 -10.734 -12.435
   31    H    ASP   2           H        ASP   2   8.499  -5.234 -10.252
   32    HA   ASP   2           HA       ASP   2  10.371  -6.051  -8.146
   33   1HB   ASP   2          1HB       ASP   2  11.957  -4.841  -9.388
   34   2HB   ASP   2          2HB       ASP   2  10.774  -3.628  -9.902
   35    H    ALA   3           H        ALA   3   9.514  -5.645  -6.300
   36    HA   ALA   3           HA       ALA   3   6.882  -4.600  -5.919
   37   1HB   ALA   3          1HB       ALA   3   8.045  -6.317  -4.580
   38   2HB   ALA   3          2HB       ALA   3   9.111  -5.055  -3.905
   39   3HB   ALA   3          3HB       ALA   3   7.353  -4.987  -3.634
   40    H    GLU   4           H        GLU   4  10.185  -3.149  -5.718
   41    HA   GLU   4           HA       GLU   4   9.232  -0.710  -4.508
   42   1HB   GLU   4          1HB       GLU   4  11.481  -1.057  -4.175
   43   2HB   GLU   4          2HB       GLU   4  11.837  -1.352  -5.877
   44   1HG   GLU   4          1HG       GLU   4  11.681   0.908  -6.464
   45   2HG   GLU   4          2HG       GLU   4  10.578   1.303  -5.141
   46    H    ALA   5           H        ALA   5   9.923  -1.676  -7.870
   47    HA   ALA   5           HA       ALA   5   9.117   0.760  -9.075
   48   1HB   ALA   5          1HB       ALA   5  10.439  -0.987 -10.220
   49   2HB   ALA   5          2HB       ALA   5   9.021  -2.060 -10.238
   50   3HB   ALA   5          3HB       ALA   5   8.999  -0.541 -11.155
   51    H    ILE   6           H        ILE   6   7.237  -2.092  -8.063
   52    HA   ILE   6           HA       ILE   6   4.744  -1.188  -9.197
   53    HB   ILE   6           HB       ILE   6   5.626  -3.091  -7.055
   54   1HG1  ILE   6          1HG1      ILE   6   5.695  -3.926  -9.307
   55   2HG1  ILE   6          2HG1      ILE   6   4.419  -4.751  -8.416
   56   1HG2  ILE   6          1HG2      ILE   6   3.669  -2.239  -5.944
   57   2HG2  ILE   6          2HG2      ILE   6   2.714  -2.259  -7.438
   58   3HG2  ILE   6          3HG2      ILE   6   3.216  -3.777  -6.669
   59   1HD1  ILE   6          1HD1      ILE   6   2.777  -3.064  -9.533
   60   2HD1  ILE   6          2HD1      ILE   6   4.127  -2.675 -10.620
   61   3HD1  ILE   6          3HD1      ILE   6   3.497  -4.314 -10.553
   62    H    TYR   7           H        TYR   7   6.067  -0.700  -5.783
   63    HA   TYR   7           HA       TYR   7   3.770   0.957  -5.346
   64   1HB   TYR   7          1HB       TYR   7   4.419   1.356  -3.204
   65   2HB   TYR   7          2HB       TYR   7   5.229  -0.161  -3.538
   66    HD1  TYR   7           HD1      TYR   7   5.642   3.542  -3.209
   67    HD2  TYR   7           HD2      TYR   7   7.567  -0.298  -3.143
   68    HE1  TYR   7           HE1      TYR   7   7.846   4.650  -2.879
   69    HE2  TYR   7           HE2      TYR   7   9.789   0.830  -2.906
   70    HH   TYR   7           HH       TYR   7  10.915   2.902  -3.211
   71    H    ASN   8           H        ASN   8   6.974   1.714  -6.430
   72    HA   ASN   8           HA       ASN   8   6.849   4.554  -6.250
   73   1HB   ASN   8          1HB       ASN   8   8.895   3.153  -6.174
   74   2HB   ASN   8          2HB       ASN   8   8.640   2.715  -7.874
   75   1HD2  ASN   8          1HD2      ASN   8  10.593   3.587  -8.606
   76   2HD2  ASN   8          2HD2      ASN   8  10.901   5.320  -8.557
   77    H    LYS   9           H        LYS   9   5.753   2.268  -8.723
   78    HA   LYS   9           HA       LYS   9   4.967   4.571 -10.422
   79   1HB   LYS   9          1HB       LYS   9   5.906   2.119 -11.187
   80   2HB   LYS   9          2HB       LYS   9   4.171   1.862 -11.232
   81   1HG   LYS   9          1HG       LYS   9   4.850   2.723 -13.417
   82   2HG   LYS   9          2HG       LYS   9   4.119   4.111 -12.599
   83   1HD   LYS   9          1HD       LYS   9   6.918   3.962 -11.829
   84   2HD   LYS   9          2HD       LYS   9   6.882   3.717 -13.560
   85   1HE   LYS   9          1HE       LYS   9   5.481   6.059 -12.155
   86   2HE   LYS   9          2HE       LYS   9   7.185   6.101 -12.604
   87   1HZ   LYS   9          1HZ       LYS   9   6.582   5.774 -14.889
   88   2HZ   LYS   9          2HZ       LYS   9   4.979   5.701 -14.517
   89   3HZ   LYS   9          3HZ       LYS   9   5.818   7.098 -14.289
   90    H    ALA  10           H        ALA  10   3.545   2.450  -8.054
   91    HA   ALA  10           HA       ALA  10   0.770   3.087  -8.983
   92   1HB   ALA  10          1HB       ALA  10   1.332   0.697  -8.831
   93   2HB   ALA  10          2HB       ALA  10   1.733   0.888  -7.108
   94   3HB   ALA  10          3HB       ALA  10   0.097   1.153  -7.639
   95    H    CYS  11           H        CYS  11   2.307   2.467  -5.793
   96    HA   CYS  11           HA       CYS  11   0.336   4.116  -4.403
   97   1HB   CYS  11          1HB       CYS  11   2.695   3.047  -2.980
   98   2HB   CYS  11          2HB       CYS  11   1.000   3.025  -2.524
   99    H    THR  12           H        THR  12   1.662   5.632  -6.225
  100    HA   THR  12           HA       THR  12   3.730   7.235  -4.771
  101    HB   THR  12           HB       THR  12   4.550   5.632  -6.586
  102    HG1  THR  12           HG1      THR  12   4.836   8.398  -6.973
  103   1HG2  THR  12          1HG2      THR  12   2.601   5.963  -8.167
  104   2HG2  THR  12          2HG2      THR  12   3.131   7.633  -8.441
  105   3HG2  THR  12          3HG2      THR  12   4.160   6.307  -8.931
  106    H    VAL  13           H        VAL  13   0.723   7.436  -6.018
  107    HA   VAL  13           HA       VAL  13   1.018  10.164  -7.151
  108    HB   VAL  13           HB       VAL  13  -1.376   8.261  -6.987
  109   1HG1  VAL  13          1HG1      VAL  13  -1.948  10.632  -7.246
  110   2HG1  VAL  13          2HG1      VAL  13  -0.781  10.766  -8.584
  111   3HG1  VAL  13          3HG1      VAL  13  -2.243   9.755  -8.764
  112   1HG2  VAL  13          1HG2      VAL  13   0.614   8.709  -9.249
  113   2HG2  VAL  13          2HG2      VAL  13   0.351   7.194  -8.359
  114   3HG2  VAL  13          3HG2      VAL  13  -0.924   7.833  -9.394
  115    H    CYS  14           H        CYS  14  -0.954   8.350  -4.854
  116    HA   CYS  14           HA       CYS  14  -1.946  10.726  -3.508
  117   1HB   CYS  14          1HB       CYS  14  -2.440   7.793  -3.048
  118   2HB   CYS  14          2HB       CYS  14  -3.506   9.145  -2.585
  119    H    HIS  15           H        HIS  15  -0.235   7.727  -2.517
  120    HA   HIS  15           HA       HIS  15   0.110   8.524   0.235
  121   1HB   HIS  15          1HB       HIS  15   1.292   6.341  -1.538
  122   2HB   HIS  15          2HB       HIS  15   1.720   6.520   0.153
  123    HD1  HIS  15           HD1      HIS  15   0.565   4.934   1.593
  124    HD2  HIS  15           HD2      HIS  15  -1.597   5.955  -1.833
  125    HE1  HIS  15           HE1      HIS  15  -1.434   3.365   1.552
  126    H    SER  16           H        SER  16   1.969   9.246  -2.580
  127    HA   SER  16           HA       SER  16   4.600   9.412  -1.423
  128   1HB   SER  16          1HB       SER  16   4.310   9.234  -3.797
  129   2HB   SER  16          2HB       SER  16   3.437  10.784  -3.872
  130    HG   SER  16           HG       SER  16   5.714  10.940  -4.369
  131    H    MET  17           H        MET  17   2.114  11.858  -2.067
  132    HA   MET  17           HA       MET  17   3.489  13.758  -0.231
  133   1HB   MET  17          1HB       MET  17   2.939  14.100  -2.860
  134   2HB   MET  17          2HB       MET  17   1.418  14.679  -2.174
  135   1HG   MET  17          1HG       MET  17   2.846  16.543  -2.430
  136   2HG   MET  17          2HG       MET  17   2.846  16.236  -0.696
  137   1HE   MET  17          1HE       MET  17   5.027  16.899   0.396
  138   2HE   MET  17          2HE       MET  17   5.054  15.123   0.553
  139   3HE   MET  17          3HE       MET  17   6.520  15.994   0.062
  140    H    GLY  18           H        GLY  18   0.476  12.020  -0.735
  141   1HA   GLY  18          1HA       GLY  18  -1.258  11.709   0.744
  142   2HA   GLY  18          2HA       GLY  18  -0.597  12.916   1.830
  143    H    VAL  19           H        VAL  19  -1.935  12.781  -1.514
  144    HA   VAL  19           HA       VAL  19  -3.120  15.468  -1.211
  145    HB   VAL  19           HB       VAL  19  -3.174  13.540  -3.571
  146   1HG1  VAL  19          1HG1      VAL  19  -5.083  15.094  -3.713
  147   2HG1  VAL  19          2HG1      VAL  19  -4.017  16.470  -3.363
  148   3HG1  VAL  19          3HG1      VAL  19  -3.848  15.566  -4.879
  149   1HG2  VAL  19          1HG2      VAL  19  -1.488  16.028  -3.038
  150   2HG2  VAL  19          2HG2      VAL  19  -0.894  14.352  -3.077
  151   3HG2  VAL  19          3HG2      VAL  19  -1.514  15.105  -4.553
  152    H    ALA  20           H        ALA  20  -4.490  12.309  -1.952
  153    HA   ALA  20           HA       ALA  20  -7.228  13.282  -1.399
  154   1HB   ALA  20          1HB       ALA  20  -6.732  11.793  -3.274
  155   2HB   ALA  20          2HB       ALA  20  -6.087  10.575  -2.150
  156   3HB   ALA  20          3HB       ALA  20  -7.823  10.994  -2.110
  157    H    GLY  21           H        GLY  21  -5.279  13.382   0.724
  158   1HA   GLY  21          1HA       GLY  21  -5.026  12.878   2.982
  159   2HA   GLY  21          2HA       GLY  21  -6.636  12.142   2.952
  160    H    ALA  22           H        ALA  22  -4.139  10.982   0.769
  161    HA   ALA  22           HA       ALA  22  -4.255   8.327   1.821
  162   1HB   ALA  22          1HB       ALA  22  -3.872   8.564  -0.512
  163   2HB   ALA  22          2HB       ALA  22  -2.524   9.671  -0.244
  164   3HB   ALA  22          3HB       ALA  22  -2.359   7.946   0.140
  165    HA   PRO  23           HA       PRO  23  -1.294   8.663   5.083
  166   1HB   PRO  23          1HB       PRO  23  -0.579   6.120   5.502
  167   2HB   PRO  23          2HB       PRO  23  -2.284   6.674   5.648
  168   1HG   PRO  23          1HG       PRO  23  -0.998   5.381   3.257
  169   2HG   PRO  23          2HG       PRO  23  -2.487   4.805   4.048
  170   1HD   PRO  23          1HD       PRO  23  -2.675   6.416   1.919
  171   2HD   PRO  23          2HD       PRO  23  -3.740   6.673   3.331
  172    H    LYS  24           H        LYS  24   0.968   8.888   5.489
  173    HA   LYS  24           HA       LYS  24   2.411   9.417   3.082
  174   1HB   LYS  24          1HB       LYS  24   3.549   9.220   5.885
  175   2HB   LYS  24          2HB       LYS  24   4.329   9.937   4.481
  176   1HG   LYS  24          1HG       LYS  24   2.507  11.635   4.320
  177   2HG   LYS  24          2HG       LYS  24   1.797  10.975   5.807
  178   1HD   LYS  24          1HD       LYS  24   3.998  11.369   6.976
  179   2HD   LYS  24          2HD       LYS  24   4.622  12.116   5.503
  180   1HE   LYS  24          1HE       LYS  24   2.912  13.886   5.631
  181   2HE   LYS  24          2HE       LYS  24   2.162  13.103   7.031
  182   1HZ   LYS  24          1HZ       LYS  24   4.174  13.470   8.272
  183   2HZ   LYS  24          2HZ       LYS  24   4.911  14.179   6.986
  184   3HZ   LYS  24          3HZ       LYS  24   3.617  14.905   7.694
  185    H    SER  25           H        SER  25   3.812   8.304   1.907
  186    HA   SER  25           HA       SER  25   4.530   5.926   1.429
  187   1HB   SER  25          1HB       SER  25   6.626   8.045   2.053
  188   2HB   SER  25          2HB       SER  25   6.888   6.594   1.050
  189    HG   SER  25           HG       SER  25   6.317   8.471  -0.190
  190    H    HIS  26           H        HIS  26   6.040   7.359   4.371
  191    HA   HIS  26           HA       HIS  26   6.070   4.691   5.580
  192   1HB   HIS  26          1HB       HIS  26   8.425   4.667   6.146
  193   2HB   HIS  26          2HB       HIS  26   8.204   4.669   4.401
  194    HD1  HIS  26           HD1      HIS  26   8.676   7.147   3.183
  195    HD2  HIS  26           HD2      HIS  26   9.960   6.577   7.146
  196    HE1  HIS  26           HE1      HIS  26  10.299   9.052   3.707
  197    H    ASN  27           H        ASN  27   4.362   6.600   6.291
  198    HA   ASN  27           HA       ASN  27   5.151   8.129   8.599
  199   1HB   ASN  27          1HB       ASN  27   2.623   6.980   7.461
  200   2HB   ASN  27          2HB       ASN  27   2.672   7.047   9.233
  201   1HD2  ASN  27          1HD2      ASN  27   0.686   8.509   7.704
  202   2HD2  ASN  27          2HD2      ASN  27   1.105  10.176   8.016
  203    H    THR  28           H        THR  28   5.224   7.521  10.851
  204    HA   THR  28           HA       THR  28   5.496   4.560  11.374
  205    HB   THR  28           HB       THR  28   6.133   7.007  13.070
  206    HG1  THR  28           HG1      THR  28   7.840   5.190  11.736
  207   1HG2  THR  28          1HG2      THR  28   5.701   5.175  14.566
  208   2HG2  THR  28          2HG2      THR  28   6.616   4.033  13.560
  209   3HG2  THR  28          3HG2      THR  28   7.452   5.344  14.422
  210    H    ALA  29           H        ALA  29   3.536   7.393  12.245
  211    HA   ALA  29           HA       ALA  29   2.141   5.938  14.370
  212   1HB   ALA  29          1HB       ALA  29   2.693   8.301  14.579
  213   2HB   ALA  29          2HB       ALA  29   1.660   8.683  13.175
  214   3HB   ALA  29          3HB       ALA  29   0.937   8.032  14.667
  215    H    ASP  30           H        ASP  30   1.601   6.574  11.026
  216    HA   ASP  30           HA       ASP  30  -1.261   6.069  10.951
  217   1HB   ASP  30          1HB       ASP  30   0.336   7.609   9.591
  218   2HB   ASP  30          2HB       ASP  30   0.754   6.135   8.673
  219    H    TRP  31           H        TRP  31   1.789   4.367  10.503
  220    HA   TRP  31           HA       TRP  31   0.616   1.884   9.472
  221   1HB   TRP  31          1HB       TRP  31   3.444   2.773  10.053
  222   2HB   TRP  31          2HB       TRP  31   3.012   1.176   9.429
  223    HD1  TRP  31           HD1      TRP  31   2.632   4.862   8.373
  224    HE1  TRP  31           HE1      TRP  31   2.787   5.133   5.840
  225    HE3  TRP  31           HE3      TRP  31   3.208  -0.055   7.131
  226    HZ2  TRP  31           HZ2      TRP  31   2.947   3.432   3.580
  227    HZ3  TRP  31           HZ3      TRP  31   3.163  -0.694   4.711
  228    HH2  TRP  31           HH2      TRP  31   2.937   1.022   2.986
  229    H    GLU  32           H        GLU  32   2.062   3.087  12.599
  230    HA   GLU  32           HA       GLU  32   2.204   0.795  14.032
  231   1HB   GLU  32          1HB       GLU  32   1.982   3.559  14.685
  232   2HB   GLU  32          2HB       GLU  32   0.792   2.733  15.683
  233   1HG   GLU  32          1HG       GLU  32   2.717   2.758  16.968
  234   2HG   GLU  32          2HG       GLU  32   2.596   1.095  16.383
  235    HA   PRO  33           HA       PRO  33  -2.411   0.323  15.133
  236   1HB   PRO  33          1HB       PRO  33  -4.376   1.874  14.043
  237   2HB   PRO  33          2HB       PRO  33  -3.354   2.422  15.395
  238   1HG   PRO  33          1HG       PRO  33  -2.908   3.013  12.447
  239   2HG   PRO  33          2HG       PRO  33  -3.005   4.182  13.791
  240   1HD   PRO  33          1HD       PRO  33  -0.658   3.250  12.867
  241   2HD   PRO  33          2HD       PRO  33  -0.920   3.525  14.612
  242    H    ARG  34           H        ARG  34  -0.921  -0.108  12.319
  243    HA   ARG  34           HA       ARG  34  -3.072  -1.836  11.162
  244   1HB   ARG  34          1HB       ARG  34  -0.934  -0.133   9.807
  245   2HB   ARG  34          2HB       ARG  34  -1.628  -1.542   9.046
  246   1HG   ARG  34          1HG       ARG  34  -2.920   0.235   8.257
  247   2HG   ARG  34          2HG       ARG  34  -3.935  -0.580   9.442
  248   1HD   ARG  34          1HD       ARG  34  -2.334   1.574  10.638
  249   2HD   ARG  34          2HD       ARG  34  -3.310   2.133   9.273
  250    HE   ARG  34           HE       ARG  34  -4.553   0.498  11.442
  251   1HH1  ARG  34          2HH1      ARG  34  -4.097   3.762  10.269
  252   2HH1  ARG  34          1HH1      ARG  34  -5.661   4.328  10.797
  253   1HH2  ARG  34          1HH2      ARG  34  -6.584   1.204  12.125
  254   2HH2  ARG  34          2HH2      ARG  34  -7.042   2.878  11.951
  255    H    LEU  35           H        LEU  35   0.450  -1.416  11.648
  256    HA   LEU  35           HA       LEU  35   1.248  -4.111  11.391
  257   1HB   LEU  35          1HB       LEU  35   2.360  -1.574  12.397
  258   2HB   LEU  35          2HB       LEU  35   2.857  -2.908  13.411
  259    HG   LEU  35           HG       LEU  35   3.377  -2.642  10.435
  260   1HD1  LEU  35          1HD1      LEU  35   4.744  -1.254  11.967
  261   2HD1  LEU  35          2HD1      LEU  35   5.230  -2.725  12.839
  262   3HD1  LEU  35          3HD1      LEU  35   5.696  -2.498  11.138
  263   1HD2  LEU  35          1HD2      LEU  35   3.925  -4.950  12.365
  264   2HD2  LEU  35          2HD2      LEU  35   3.084  -5.040  10.801
  265   3HD2  LEU  35          3HD2      LEU  35   4.809  -4.721  10.849
  266    H    ALA  36           H        ALA  36  -0.928  -2.993  13.663
  267    HA   ALA  36           HA       ALA  36   0.084  -4.491  15.991
  268   1HB   ALA  36          1HB       ALA  36  -0.745  -2.204  16.345
  269   2HB   ALA  36          2HB       ALA  36  -2.310  -2.633  15.622
  270   3HB   ALA  36          3HB       ALA  36  -1.800  -3.382  17.152
  271    H    LYS  37           H        LYS  37  -2.480  -4.442  13.541
  272    HA   LYS  37           HA       LYS  37  -3.834  -6.773  14.694
  273   1HB   LYS  37          1HB       LYS  37  -4.322  -5.408  12.017
  274   2HB   LYS  37          2HB       LYS  37  -5.334  -6.629  12.810
  275   1HG   LYS  37          1HG       LYS  37  -5.420  -4.919  14.812
  276   2HG   LYS  37          2HG       LYS  37  -4.793  -3.758  13.638
  277   1HD   LYS  37          1HD       LYS  37  -7.051  -3.387  13.387
  278   2HD   LYS  37          2HD       LYS  37  -6.798  -4.606  12.125
  279   1HE   LYS  37          1HE       LYS  37  -7.550  -6.387  13.749
  280   2HE   LYS  37          2HE       LYS  37  -7.771  -5.144  14.989
  281   1HZ   LYS  37          1HZ       LYS  37  -9.431  -4.114  13.559
  282   2HZ   LYS  37          2HZ       LYS  37  -9.264  -5.318  12.452
  283   3HZ   LYS  37          3HZ       LYS  37  -9.848  -5.654  13.952
  284    H    GLY  38           H        GLY  38  -1.875  -5.942  11.806
  285   1HA   GLY  38          1HA       GLY  38  -0.078  -8.038  11.972
  286   2HA   GLY  38          2HA       GLY  38  -1.417  -8.720  11.037
  287    H    VAL  39           H        VAL  39  -0.986  -8.615   8.911
  288    HA   VAL  39           HA       VAL  39   0.077  -6.099   7.712
  289    HB   VAL  39           HB       VAL  39   1.267  -8.867   7.199
  290   1HG1  VAL  39          1HG1      VAL  39   1.169  -7.549   5.143
  291   2HG1  VAL  39          2HG1      VAL  39   1.865  -6.144   5.969
  292   3HG1  VAL  39          3HG1      VAL  39   2.837  -7.607   5.728
  293   1HG2  VAL  39          1HG2      VAL  39   2.283  -6.448   8.704
  294   2HG2  VAL  39          2HG2      VAL  39   2.188  -8.123   9.256
  295   3HG2  VAL  39          3HG2      VAL  39   3.384  -7.669   8.034
  296    H    ASP  40           H        ASP  40  -0.862  -9.449   6.725
  297    HA   ASP  40           HA       ASP  40  -1.620  -8.672   4.169
  298   1HB   ASP  40          1HB       ASP  40  -2.368 -10.812   3.838
  299   2HB   ASP  40          2HB       ASP  40  -1.258 -11.058   5.197
  300    H    ASN  41           H        ASN  41  -3.610  -8.771   7.082
  301    HA   ASN  41           HA       ASN  41  -6.112  -8.065   6.447
  302   1HB   ASN  41          1HB       ASN  41  -4.892  -5.949   8.166
  303   2HB   ASN  41          2HB       ASN  41  -6.362  -6.807   8.405
  304   1HD2  ASN  41          1HD2      ASN  41  -3.317  -6.309   9.537
  305   2HD2  ASN  41          2HD2      ASN  41  -3.262  -7.714  10.583
  306    H    LEU  42           H        LEU  42  -3.381  -5.845   5.833
  307    HA   LEU  42           HA       LEU  42  -5.085  -3.707   4.727
  308   1HB   LEU  42          1HB       LEU  42  -2.125  -4.176   5.059
  309   2HB   LEU  42          2HB       LEU  42  -2.782  -2.749   4.294
  310    HG   LEU  42           HG       LEU  42  -2.223  -2.089   6.497
  311   1HD1  LEU  42          1HD1      LEU  42  -4.438  -1.286   5.752
  312   2HD1  LEU  42          2HD1      LEU  42  -5.227  -2.640   6.591
  313   3HD1  LEU  42          3HD1      LEU  42  -4.349  -1.433   7.501
  314   1HD2  LEU  42          1HD2      LEU  42  -3.806  -4.331   7.670
  315   2HD2  LEU  42          2HD2      LEU  42  -2.038  -4.388   7.472
  316   3HD2  LEU  42          3HD2      LEU  42  -2.816  -3.206   8.540
  317    H    VAL  43           H        VAL  43  -2.752  -6.154   3.450
  318    HA   VAL  43           HA       VAL  43  -3.000  -5.360   0.747
  319    HB   VAL  43           HB       VAL  43  -1.456  -7.143   1.946
  320   1HG1  VAL  43          1HG1      VAL  43  -3.172  -8.914   2.207
  321   2HG1  VAL  43          2HG1      VAL  43  -3.431  -8.939   0.453
  322   3HG1  VAL  43          3HG1      VAL  43  -1.871  -9.408   1.150
  323   1HG2  VAL  43          1HG2      VAL  43  -2.310  -7.305  -0.975
  324   2HG2  VAL  43          2HG2      VAL  43  -1.172  -6.129  -0.293
  325   3HG2  VAL  43          3HG2      VAL  43  -0.765  -7.855  -0.289
  326    H    LYS  44           H        LYS  44  -5.118  -7.244   2.869
  327    HA   LYS  44           HA       LYS  44  -7.041  -7.933   0.885
  328   1HB   LYS  44          1HB       LYS  44  -7.688  -7.467   3.788
  329   2HB   LYS  44          2HB       LYS  44  -8.618  -8.385   2.622
  330   1HG   LYS  44          1HG       LYS  44  -5.936  -9.150   3.806
  331   2HG   LYS  44          2HG       LYS  44  -7.474  -9.812   4.227
  332   1HD   LYS  44          1HD       LYS  44  -7.384 -11.368   2.635
  333   2HD   LYS  44          2HD       LYS  44  -7.170 -10.159   1.386
  334   1HE   LYS  44          1HE       LYS  44  -5.063 -10.866   1.031
  335   2HE   LYS  44          2HE       LYS  44  -4.624 -10.343   2.656
  336   1HZ   LYS  44          1HZ       LYS  44  -4.982 -12.364   3.570
  337   2HZ   LYS  44          2HZ       LYS  44  -5.723 -12.997   2.192
  338   3HZ   LYS  44          3HZ       LYS  44  -4.122 -12.632   2.208
  339    H    SER  45           H        SER  45  -6.724  -4.919   2.861
  340    HA   SER  45           HA       SER  45  -9.163  -3.713   1.918
  341   1HB   SER  45          1HB       SER  45  -6.581  -2.419   2.882
  342   2HB   SER  45          2HB       SER  45  -8.146  -1.614   2.677
  343    HG   SER  45           HG       SER  45  -7.843  -2.227   4.849
  344    H    VAL  46           H        VAL  46  -5.817  -3.933   0.740
  345    HA   VAL  46           HA       VAL  46  -6.070  -1.994  -1.273
  346    HB   VAL  46           HB       VAL  46  -4.199  -4.198  -0.710
  347   1HG1  VAL  46          1HG1      VAL  46  -4.134  -4.267  -3.141
  348   2HG1  VAL  46          2HG1      VAL  46  -3.973  -2.490  -3.192
  349   3HG1  VAL  46          3HG1      VAL  46  -2.669  -3.495  -2.530
  350   1HG2  VAL  46          1HG2      VAL  46  -3.660  -1.269  -0.955
  351   2HG2  VAL  46          2HG2      VAL  46  -4.135  -2.106   0.549
  352   3HG2  VAL  46          3HG2      VAL  46  -2.615  -2.530  -0.255
  353    H    LYS  47           H        LYS  47  -6.231  -5.560  -1.569
  354    HA   LYS  47           HA       LYS  47  -6.993  -5.644  -4.301
  355   1HB   LYS  47          1HB       LYS  47  -7.251  -7.878  -4.008
  356   2HB   LYS  47          2HB       LYS  47  -6.281  -7.422  -2.597
  357   1HG   LYS  47          1HG       LYS  47  -8.665  -7.195  -1.441
  358   2HG   LYS  47          2HG       LYS  47  -9.215  -8.226  -2.750
  359   1HD   LYS  47          1HD       LYS  47  -6.727  -8.882  -1.129
  360   2HD   LYS  47          2HD       LYS  47  -8.315  -9.098  -0.380
  361   1HE   LYS  47          1HE       LYS  47  -7.663 -10.395  -3.052
  362   2HE   LYS  47          2HE       LYS  47  -7.266 -11.173  -1.514
  363   1HZ   LYS  47          1HZ       LYS  47  -9.581 -11.040  -0.883
  364   2HZ   LYS  47          2HZ       LYS  47  -9.981 -10.324  -2.302
  365   3HZ   LYS  47          3HZ       LYS  47  -9.428 -11.874  -2.290
  366    H    THR  48           H        THR  48  -8.956  -5.074  -1.439
  367    HA   THR  48           HA       THR  48 -11.523  -5.221  -2.727
  368    HB   THR  48           HB       THR  48 -10.535  -3.993  -0.135
  369    HG1  THR  48           HG1      THR  48 -11.548  -5.825   0.674
  370   1HG2  THR  48          1HG2      THR  48 -12.551  -2.730  -0.663
  371   2HG2  THR  48          2HG2      THR  48 -13.410  -4.227  -1.099
  372   3HG2  THR  48          3HG2      THR  48 -12.917  -3.929   0.580
  373    H    GLY  49           H        GLY  49  -9.144  -2.572  -2.508
  374   1HA   GLY  49          1HA       GLY  49  -9.187  -0.515  -3.572
  375   2HA   GLY  49          2HA       GLY  49 -10.711  -0.942  -4.360
  376    H    LEU  50           H        LEU  50  -9.232   0.664  -1.678
  377    HA   LEU  50           HA       LEU  50 -11.578   1.151  -0.115
  378   1HB   LEU  50          1HB       LEU  50  -9.103   1.288   0.464
  379   2HB   LEU  50          2HB       LEU  50  -9.084   2.884  -0.287
  380    HG   LEU  50           HG       LEU  50 -10.583   3.740   1.434
  381   1HD1  LEU  50          1HD1      LEU  50 -12.006   1.792   1.968
  382   2HD1  LEU  50          2HD1      LEU  50 -10.580   0.876   2.511
  383   3HD1  LEU  50          3HD1      LEU  50 -11.137   2.295   3.420
  384   1HD2  LEU  50          1HD2      LEU  50  -8.318   2.027   2.535
  385   2HD2  LEU  50          2HD2      LEU  50  -8.138   3.610   1.777
  386   3HD2  LEU  50          3HD2      LEU  50  -8.999   3.458   3.330
  387    H    ASN  51           H        ASN  51 -12.314   3.496   0.270
  388    HA   ASN  51           HA       ASN  51 -13.949   4.172  -1.773
  389   1HB   ASN  51          1HB       ASN  51 -12.937   6.373   0.099
  390   2HB   ASN  51          2HB       ASN  51 -14.528   6.197  -0.616
  391   1HD2  ASN  51          1HD2      ASN  51 -12.287   5.248   1.884
  392   2HD2  ASN  51          2HD2      ASN  51 -13.188   3.889   2.515
  393    H    ALA  52           H        ALA  52 -11.163   6.149  -0.959
  394    HA   ALA  52           HA       ALA  52 -10.924   7.251  -3.711
  395   1HB   ALA  52          1HB       ALA  52 -10.921   8.816  -1.862
  396   2HB   ALA  52          2HB       ALA  52  -9.598   7.949  -1.073
  397   3HB   ALA  52          3HB       ALA  52  -9.316   8.801  -2.612
  398    H    MET  53           H        MET  53 -10.144   4.336  -2.872
  399    HA   MET  53           HA       MET  53  -7.551   4.530  -4.359
  400   1HB   MET  53          1HB       MET  53  -7.236   3.996  -1.918
  401   2HB   MET  53          2HB       MET  53  -8.089   2.464  -2.226
  402   1HG   MET  53          1HG       MET  53  -6.421   1.855  -3.925
  403   2HG   MET  53          2HG       MET  53  -5.634   3.410  -3.725
  404   1HE   MET  53          1HE       MET  53  -6.885   1.134  -0.676
  405   2HE   MET  53          2HE       MET  53  -6.419  -0.025  -1.948
  406   3HE   MET  53          3HE       MET  53  -5.450   0.083  -0.471
  407    HA   PRO  54           HA       PRO  54  -9.744   1.822  -7.156
  408   1HB   PRO  54          1HB       PRO  54  -7.690   1.137  -8.903
  409   2HB   PRO  54          2HB       PRO  54  -8.566   2.696  -8.915
  410   1HG   PRO  54          1HG       PRO  54  -5.954   2.021  -7.588
  411   2HG   PRO  54          2HG       PRO  54  -6.299   3.429  -8.629
  412   1HD   PRO  54          1HD       PRO  54  -6.291   3.603  -5.942
  413   2HD   PRO  54          2HD       PRO  54  -7.536   4.487  -6.878
  414    HA   PRO  55           HA       PRO  55  -9.256  -2.220  -5.568
  415   1HB   PRO  55          1HB       PRO  55 -10.011  -3.890  -7.583
  416   2HB   PRO  55          2HB       PRO  55 -11.144  -2.762  -6.783
  417   1HG   PRO  55          1HG       PRO  55  -9.615  -2.303  -9.364
  418   2HG   PRO  55          2HG       PRO  55 -11.374  -2.114  -9.097
  419   1HD   PRO  55          1HD       PRO  55  -9.724   0.011  -8.975
  420   2HD   PRO  55          2HD       PRO  55 -11.040  -0.151  -7.777
  421    H    GLY  56           H        GLY  56  -7.513  -3.427  -5.062
  422   1HA   GLY  56          1HA       GLY  56  -5.439  -4.453  -5.304
  423   2HA   GLY  56          2HA       GLY  56  -5.589  -4.327  -7.056
  424    H    GLY  57           H        GLY  57  -6.057  -1.412  -5.130
  425   1HA   GLY  57          1HA       GLY  57  -4.642   0.213  -4.354
  426   2HA   GLY  57          2HA       GLY  57  -3.246  -0.769  -4.766
  427    H    MET  58           H        MET  58  -3.604  -1.074  -7.483
  428    HA   MET  58           HA       MET  58  -4.413   1.080  -9.024
  429   1HB   MET  58          1HB       MET  58  -2.048   1.858  -7.800
  430   2HB   MET  58          2HB       MET  58  -1.420   1.080  -9.247
  431   1HG   MET  58          1HG       MET  58  -3.616   2.867  -9.948
  432   2HG   MET  58          2HG       MET  58  -2.452   3.682  -8.913
  433   1HE   MET  58          1HE       MET  58  -2.171   1.128 -11.974
  434   2HE   MET  58          2HE       MET  58  -3.260   2.465 -12.433
  435   3HE   MET  58          3HE       MET  58  -1.664   2.310 -13.201
  436    H    CYS  59           H        CYS  59  -1.887  -1.373  -8.737
  437    HA   CYS  59           HA       CYS  59  -1.983  -2.282 -11.517
  438   1HB   CYS  59          1HB       CYS  59   0.096  -2.316 -10.157
  439   2HB   CYS  59          2HB       CYS  59  -0.717  -3.338  -8.968
  440    H    THR  60           H        THR  60  -3.287  -3.890 -12.284
  441    HA   THR  60           HA       THR  60  -5.033  -5.460 -10.448
  442    HB   THR  60           HB       THR  60  -4.906  -5.282 -13.490
  443    HG1  THR  60           HG1      THR  60  -6.890  -4.154 -13.108
  444   1HG2  THR  60          1HG2      THR  60  -5.843  -7.462 -12.816
  445   2HG2  THR  60          2HG2      THR  60  -6.904  -6.662 -11.634
  446   3HG2  THR  60          3HG2      THR  60  -7.144  -6.401 -13.373
  447    H    ASP  61           H        ASP  61  -2.548  -5.914 -12.970
  448    HA   ASP  61           HA       ASP  61  -2.303  -8.795 -12.602
  449   1HB   ASP  61          1HB       ASP  61  -0.607  -8.396 -14.450
  450   2HB   ASP  61          2HB       ASP  61  -2.283  -8.025 -14.835
  451    H    CYS  62           H        CYS  62  -1.907  -8.017 -10.245
  452    HA   CYS  62           HA       CYS  62   1.022  -8.305  -9.763
  453   1HB   CYS  62          1HB       CYS  62  -0.897  -6.340  -8.453
  454   2HB   CYS  62          2HB       CYS  62   0.546  -6.956  -7.641
  455    H    THR  63           H        THR  63   1.581  -9.591  -7.989
  456    HA   THR  63           HA       THR  63  -0.588 -11.361  -6.954
  457    HB   THR  63           HB       THR  63   2.396 -11.834  -7.352
  458    HG1  THR  63           HG1      THR  63   1.810 -12.912  -9.124
  459   1HG2  THR  63          1HG2      THR  63   1.513 -13.334  -5.586
  460   2HG2  THR  63          2HG2      THR  63   0.139 -13.765  -6.638
  461   3HG2  THR  63          3HG2      THR  63   1.794 -14.226  -7.078
  462    H    ASP  64           H        ASP  64  -0.414 -12.046  -4.713
  463    HA   ASP  64           HA       ASP  64  -0.077 -10.144  -2.765
  464   1HB   ASP  64          1HB       ASP  64  -0.090 -13.096  -2.935
  465   2HB   ASP  64          2HB       ASP  64   0.471 -12.424  -1.411
  466    H    GLU  65           H        GLU  65   2.512 -12.305  -4.029
  467    HA   GLU  65           HA       GLU  65   4.464 -11.672  -2.072
  468   1HB   GLU  65          1HB       GLU  65   6.058 -12.618  -3.639
  469   2HB   GLU  65          2HB       GLU  65   4.585 -13.589  -3.569
  470   1HG   GLU  65          1HG       GLU  65   3.828 -12.330  -5.701
  471   2HG   GLU  65          2HG       GLU  65   5.485 -11.722  -5.796
  472    H    ASP  66           H        ASP  66   3.768 -10.094  -5.236
  473    HA   ASP  66           HA       ASP  66   5.868  -8.139  -4.916
  474   1HB   ASP  66          1HB       ASP  66   3.560  -7.489  -6.700
  475   2HB   ASP  66          2HB       ASP  66   5.301  -7.416  -7.018
  476    H    TYR  67           H        TYR  67   2.329  -8.202  -4.363
  477    HA   TYR  67           HA       TYR  67   2.011  -5.463  -3.545
  478   1HB   TYR  67          1HB       TYR  67   0.548  -8.015  -2.796
  479   2HB   TYR  67          2HB       TYR  67   0.147  -6.464  -2.078
  480    HD1  TYR  67           HD1      TYR  67  -0.978  -8.593  -4.525
  481    HD2  TYR  67           HD2      TYR  67  -0.243  -4.458  -3.657
  482    HE1  TYR  67           HE1      TYR  67  -2.606  -7.933  -6.284
  483    HE2  TYR  67           HE2      TYR  67  -1.779  -3.792  -5.480
  484    HH   TYR  67           HH       TYR  67  -3.183  -4.599  -7.288
  485    H    LYS  68           H        LYS  68   2.873  -8.333  -1.643
  486    HA   LYS  68           HA       LYS  68   2.836  -6.922   0.890
  487   1HB   LYS  68          1HB       LYS  68   3.821  -9.692   0.132
  488   2HB   LYS  68          2HB       LYS  68   3.968  -9.008   1.758
  489   1HG   LYS  68          1HG       LYS  68   1.502  -8.593   1.828
  490   2HG   LYS  68          2HG       LYS  68   1.351  -9.299   0.223
  491   1HD   LYS  68          1HD       LYS  68   0.779 -11.098   1.512
  492   2HD   LYS  68          2HD       LYS  68   2.507 -11.405   1.275
  493   1HE   LYS  68          1HE       LYS  68   2.994 -10.400   3.514
  494   2HE   LYS  68          2HE       LYS  68   1.282  -9.992   3.713
  495   1HZ   LYS  68          1HZ       LYS  68   0.766 -12.337   3.643
  496   2HZ   LYS  68          2HZ       LYS  68   2.358 -12.726   3.497
  497   3HZ   LYS  68          3HZ       LYS  68   1.807 -12.012   4.873
  498    H    ALA  69           H        ALA  69   5.520  -8.222  -1.234
  499    HA   ALA  69           HA       ALA  69   7.679  -7.057   0.099
  500   1HB   ALA  69          1HB       ALA  69   7.944  -8.525  -1.781
  501   2HB   ALA  69          2HB       ALA  69   7.127  -7.378  -2.855
  502   3HB   ALA  69          3HB       ALA  69   8.725  -6.979  -2.167
  503    H    ALA  70           H        ALA  70   5.328  -5.437  -2.041
  504    HA   ALA  70           HA       ALA  70   6.740  -2.902  -2.186
  505   1HB   ALA  70          1HB       ALA  70   5.215  -3.436  -3.936
  506   2HB   ALA  70          2HB       ALA  70   3.881  -3.734  -2.810
  507   3HB   ALA  70          3HB       ALA  70   4.481  -2.098  -3.034
  508    H    ILE  71           H        ILE  71   3.942  -4.010  -0.306
  509    HA   ILE  71           HA       ILE  71   3.613  -1.740   1.417
  510    HB   ILE  71           HB       ILE  71   2.815  -4.635   1.389
  511   1HG1  ILE  71          1HG1      ILE  71   1.082  -2.205   1.325
  512   2HG1  ILE  71          2HG1      ILE  71   1.809  -2.908  -0.107
  513   1HG2  ILE  71          1HG2      ILE  71   3.166  -4.271   3.744
  514   2HG2  ILE  71          2HG2      ILE  71   2.253  -2.747   3.658
  515   3HG2  ILE  71          3HG2      ILE  71   1.450  -4.318   3.380
  516   1HD1  ILE  71          1HD1      ILE  71   0.716  -5.063   0.378
  517   2HD1  ILE  71          2HD1      ILE  71  -0.104  -4.339   1.781
  518   3HD1  ILE  71          3HD1      ILE  71  -0.442  -3.737   0.151
  519    H    GLU  72           H        GLU  72   5.700  -4.551   1.645
  520    HA   GLU  72           HA       GLU  72   6.793  -4.059   4.279
  521   1HB   GLU  72          1HB       GLU  72   7.648  -5.882   2.034
  522   2HB   GLU  72          2HB       GLU  72   8.491  -5.734   3.579
  523   1HG   GLU  72          1HG       GLU  72   6.360  -6.320   4.781
  524   2HG   GLU  72          2HG       GLU  72   5.593  -6.640   3.241
  525    H    PHE  73           H        PHE  73   7.829  -3.205   0.972
  526    HA   PHE  73           HA       PHE  73  10.270  -2.008   1.660
  527   1HB   PHE  73          1HB       PHE  73   9.125  -2.280  -0.630
  528   2HB   PHE  73          2HB       PHE  73   8.333  -0.747  -0.299
  529    HD1  PHE  73           HD1      PHE  73  11.347  -2.399  -1.423
  530    HD2  PHE  73           HD2      PHE  73   9.834   1.325   0.150
  531    HE1  PHE  73           HE1      PHE  73  13.362  -1.207  -2.261
  532    HE2  PHE  73           HE2      PHE  73  11.856   2.489  -0.691
  533    HZ   PHE  73           HZ       PHE  73  13.622   1.215  -1.870
  534    H    MET  74           H        MET  74   7.003  -0.736   2.212
  535    HA   MET  74           HA       MET  74   7.945   1.900   3.067
  536   1HB   MET  74          1HB       MET  74   5.257   0.523   2.956
  537   2HB   MET  74          2HB       MET  74   5.485   2.156   3.642
  538   1HG   MET  74          1HG       MET  74   6.556   2.802   1.438
  539   2HG   MET  74          2HG       MET  74   6.184   1.215   0.782
  540   1HE   MET  74          1HE       MET  74   4.056   0.781  -0.631
  541   2HE   MET  74          2HE       MET  74   3.344   0.442   0.960
  542   3HE   MET  74          3HE       MET  74   2.480   1.481  -0.184
  543    H    SER  75           H        SER  75   5.883  -0.424   4.867
  544    HA   SER  75           HA       SER  75   7.773  -0.662   7.015
  545   1HB   SER  75          1HB       SER  75   6.884   1.708   7.462
  546   2HB   SER  75          2HB       SER  75   5.346   0.941   7.876
  547    HG   SER  75           HG       SER  75   6.572   1.110   9.741
  548    H    LYS  76           H        LYS  76   6.490  -2.469   5.460
  549    HA   LYS  76           HA       LYS  76   5.077  -4.311   5.444
  550   1HB   LYS  76          1HB       LYS  76   5.751  -5.930   7.097
  551   2HB   LYS  76          2HB       LYS  76   7.157  -5.068   6.458
  552   1HG   LYS  76          1HG       LYS  76   7.650  -4.024   8.433
  553   2HG   LYS  76          2HG       LYS  76   5.977  -3.966   8.974
  554   1HD   LYS  76          1HD       LYS  76   7.257  -5.505  10.348
  555   2HD   LYS  76          2HD       LYS  76   5.946  -6.336   9.496
  556   1HE   LYS  76          1HE       LYS  76   7.388  -7.475   8.029
  557   2HE   LYS  76          2HE       LYS  76   8.693  -6.297   8.216
  558   1HZ   LYS  76          1HZ       LYS  76   9.093  -7.104  10.409
  559   2HZ   LYS  76          2HZ       LYS  76   7.824  -8.150  10.339
  560   3HZ   LYS  76          3HZ       LYS  76   9.134  -8.376   9.367
  561    H    ALA  77           H        ALA  77   3.279  -2.623   5.703
  562    HA   ALA  77           HA       ALA  77   1.279  -4.179   7.052
  563   1HB   ALA  77          1HB       ALA  77   1.783  -3.146   9.059
  564   2HB   ALA  77          2HB       ALA  77   1.958  -1.530   8.338
  565   3HB   ALA  77          3HB       ALA  77   0.363  -2.306   8.467
  566    H    LYS  78           H        LYS  78   1.209  -0.706   6.328
  567    HA   LYS  78           HA       LYS  78  -1.173  -1.273   4.685
  568   1HB   LYS  78          1HB       LYS  78  -1.970   0.828   5.311
  569   2HB   LYS  78          2HB       LYS  78  -1.280   0.115   6.765
  570   1HG   LYS  78          1HG       LYS  78   0.365   1.698   6.941
  571   2HG   LYS  78          2HG       LYS  78   0.657   1.707   5.202
  572   1HD   LYS  78          1HD       LYS  78  -0.159   3.814   5.474
  573   2HD   LYS  78          2HD       LYS  78  -1.569   2.903   4.919
  574   1HE   LYS  78          1HE       LYS  78  -1.842   2.503   7.604
  575   2HE   LYS  78          2HE       LYS  78  -0.824   3.950   7.657
  576   1HZ   LYS  78          1HZ       LYS  78  -2.633   4.829   6.052
  577   2HZ   LYS  78          2HZ       LYS  78  -3.589   3.690   6.762
  578   3HZ   LYS  78          3HZ       LYS  78  -2.831   4.892   7.652
  579    HHA  HEC  90           HHA      HEC  90  -6.030   3.874   2.989
  580    HHB  HEC  90           HHB      HEC  90  -1.451  -0.237   0.814
  581    HHC  HEC  90           HHC      HEC  90  -1.656   2.788  -4.901
  582    HHD  HEC  90           HHD      HEC  90  -5.399   7.356  -2.324
  583   1HMA  HEC  90          1HMA      HEC  90  -3.994  -1.340   2.713
  584   2HMA  HEC  90          2HMA      HEC  90  -2.258  -0.994   2.660
  585   3HMA  HEC  90          3HMA      HEC  90  -3.209  -0.535   4.079
  586   1HAA  HEC  90          1HAA      HEC  90  -5.575   2.446   4.574
  587   2HAA  HEC  90          2HAA      HEC  90  -4.355   1.267   5.004
  588   1HBA  HEC  90          1HBA      HEC  90  -5.783  -0.517   3.936
  589   2HBA  HEC  90          2HBA      HEC  90  -7.042   0.689   3.697
  590   1HMB  HEC  90          1HMB      HEC  90  -0.420  -1.729  -1.392
  591   2HMB  HEC  90          2HMB      HEC  90   1.026  -0.866  -1.953
  592   3HMB  HEC  90          3HMB      HEC  90   0.473  -0.630  -0.315
  593    HAB  HEC  90           HAB      HEC  90  -0.218   1.273  -5.045
  594   1HBB  HEC  90          1HBB      HEC  90  -1.062  -1.027  -5.068
  595   2HBB  HEC  90          2HBB      HEC  90   0.641  -0.946  -5.532
  596   3HBB  HEC  90          3HBB      HEC  90   0.192  -1.522  -3.924
  597   1HMC  HEC  90          1HMC      HEC  90  -3.575   4.858  -6.904
  598   2HMC  HEC  90          2HMC      HEC  90  -2.223   5.958  -6.517
  599   3HMC  HEC  90          3HMC      HEC  90  -2.022   4.211  -6.431
  600    HAC  HEC  90           HAC      HEC  90  -5.515   7.546  -4.390
  601   1HBC  HEC  90          1HBC      HEC  90  -5.639   6.096  -6.418
  602   2HBC  HEC  90          2HBC      HEC  90  -5.764   7.860  -6.628
  603   3HBC  HEC  90          3HBC      HEC  90  -4.251   7.046  -7.039
  604   1HMD  HEC  90          1HMD      HEC  90  -7.343   8.008  -1.129
  605   2HMD  HEC  90          2HMD      HEC  90  -7.505   8.400   0.586
  606   3HMD  HEC  90          3HMD      HEC  90  -6.048   8.859  -0.280
  607   1HAD  HEC  90          1HAD      HEC  90  -7.097   7.430   2.665
  608   2HAD  HEC  90          2HAD      HEC  90  -7.230   5.789   3.261
  609   1HBD  HEC  90          1HBD      HEC  90  -9.285   5.467   2.258
  610   2HBD  HEC  90          2HBD      HEC  90  -8.855   6.366   0.804
  Start of MODEL   17
    1   1H    ALA  -3          1H        ALA  -3   1.300  -7.107 -15.315
    2   2H    ALA  -3          2H        ALA  -3   0.049  -7.071 -16.324
    3   3H    ALA  -3          3H        ALA  -3   1.590  -6.953 -16.924
    4    HA   ALA  -3           HA       ALA  -3   0.751  -4.762 -17.006
    5   1HB   ALA  -3          1HB       ALA  -3  -1.095  -5.028 -15.519
    6   2HB   ALA  -3          2HB       ALA  -3  -0.038  -5.236 -14.109
    7   3HB   ALA  -3          3HB       ALA  -3  -0.114  -3.667 -14.949
    8    H    ASP  -2           H        ASP  -2   1.964  -4.897 -13.642
    9    HA   ASP  -2           HA       ASP  -2   4.753  -4.428 -14.358
   10   1HB   ASP  -2          1HB       ASP  -2   3.675  -2.176 -14.693
   11   2HB   ASP  -2          2HB       ASP  -2   3.147  -2.214 -13.003
   12    H    LEU  -1           H        LEU  -1   5.350  -6.065 -13.070
   13    HA   LEU  -1           HA       LEU  -1   4.986  -5.846 -10.182
   14   1HB   LEU  -1          1HB       LEU  -1   4.034  -7.984  -9.812
   15   2HB   LEU  -1          2HB       LEU  -1   3.036  -7.069 -10.917
   16    HG   LEU  -1           HG       LEU  -1   2.872  -9.029 -11.985
   17   1HD1  LEU  -1          1HD1      LEU  -1   4.050  -7.772 -13.694
   18   2HD1  LEU  -1          2HD1      LEU  -1   5.612  -8.417 -13.112
   19   3HD1  LEU  -1          3HD1      LEU  -1   4.390  -9.500 -13.790
   20   1HD2  LEU  -1          1HD2      LEU  -1   5.525 -10.094 -11.045
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.966 -10.265 -10.212
   22   3HD2  LEU  -1          3HD2      LEU  -1   4.192 -10.958 -11.817
   23    H    GLN   1           H        GLN   1   7.206  -5.479 -11.874
   24    HA   GLN   1           HA       GLN   1   8.835  -7.925 -11.463
   25   1HB   GLN   1          1HB       GLN   1   8.596  -5.933 -13.529
   26   2HB   GLN   1          2HB       GLN   1  10.208  -5.730 -12.862
   27   1HG   GLN   1          1HG       GLN   1   9.128  -8.446 -13.755
   28   2HG   GLN   1          2HG       GLN   1   9.899  -7.303 -14.855
   29   1HE2  GLN   1          1HE2      GLN   1  10.537  -9.760 -12.465
   30   2HE2  GLN   1          2HE2      GLN   1  12.283  -9.555 -12.538
   31    H    ASP   2           H        ASP   2   8.458  -4.775 -10.114
   32    HA   ASP   2           HA       ASP   2  10.459  -5.431  -8.098
   33   1HB   ASP   2          1HB       ASP   2  11.707  -4.074  -9.752
   34   2HB   ASP   2          2HB       ASP   2  10.508  -2.783  -9.613
   35    H    ALA   3           H        ALA   3   9.524  -5.128  -6.221
   36    HA   ALA   3           HA       ALA   3   6.914  -4.142  -5.664
   37   1HB   ALA   3          1HB       ALA   3   8.154  -5.653  -4.265
   38   2HB   ALA   3          2HB       ALA   3   9.433  -4.449  -3.986
   39   3HB   ALA   3          3HB       ALA   3   7.806  -4.171  -3.339
   40    H    GLU   4           H        GLU   4  10.105  -2.487  -5.784
   41    HA   GLU   4           HA       GLU   4   9.135   0.026  -4.784
   42   1HB   GLU   4          1HB       GLU   4  11.449  -0.427  -4.724
   43   2HB   GLU   4          2HB       GLU   4  11.566  -0.627  -6.475
   44   1HG   GLU   4          1HG       GLU   4  11.192   1.680  -6.898
   45   2HG   GLU   4          2HG       GLU   4  10.486   1.970  -5.311
   46    H    ALA   5           H        ALA   5   9.270  -1.445  -8.050
   47    HA   ALA   5           HA       ALA   5   8.460   1.008  -9.401
   48   1HB   ALA   5          1HB       ALA   5   9.721  -0.734 -10.580
   49   2HB   ALA   5          2HB       ALA   5   8.358  -1.867 -10.384
   50   3HB   ALA   5          3HB       ALA   5   8.162  -0.404 -11.362
   51    H    ILE   6           H        ILE   6   6.778  -1.851  -8.060
   52    HA   ILE   6           HA       ILE   6   4.182  -1.196  -9.077
   53    HB   ILE   6           HB       ILE   6   5.140  -2.646  -6.587
   54   1HG1  ILE   6          1HG1      ILE   6   3.582  -3.792  -8.902
   55   2HG1  ILE   6          2HG1      ILE   6   5.335  -3.601  -9.030
   56   1HG2  ILE   6          1HG2      ILE   6   2.920  -1.780  -5.965
   57   2HG2  ILE   6          2HG2      ILE   6   2.263  -2.226  -7.555
   58   3HG2  ILE   6          3HG2      ILE   6   2.711  -3.471  -6.384
   59   1HD1  ILE   6          1HD1      ILE   6   5.789  -5.215  -7.438
   60   2HD1  ILE   6          2HD1      ILE   6   4.258  -5.009  -6.573
   61   3HD1  ILE   6          3HD1      ILE   6   4.281  -5.861  -8.114
   62    H    TYR   7           H        TYR   7   5.700  -0.321  -5.835
   63    HA   TYR   7           HA       TYR   7   3.376   1.301  -5.354
   64   1HB   TYR   7          1HB       TYR   7   4.066   1.697  -3.251
   65   2HB   TYR   7          2HB       TYR   7   5.004   0.257  -3.584
   66    HD1  TYR   7           HD1      TYR   7   7.394   0.398  -3.436
   67    HD2  TYR   7           HD2      TYR   7   5.037   3.999  -3.392
   68    HE1  TYR   7           HE1      TYR   7   9.466   1.772  -3.302
   69    HE2  TYR   7           HE2      TYR   7   7.102   5.356  -3.206
   70    HH   TYR   7           HH       TYR   7   9.397   5.322  -3.323
   71    H    ASN   8           H        ASN   8   6.558   2.068  -6.596
   72    HA   ASN   8           HA       ASN   8   6.261   4.898  -6.604
   73   1HB   ASN   8          1HB       ASN   8   8.390   3.596  -6.643
   74   2HB   ASN   8          2HB       ASN   8   8.025   3.106  -8.312
   75   1HD2  ASN   8          1HD2      ASN   8   9.850   4.047  -9.226
   76   2HD2  ASN   8          2HD2      ASN   8  10.109   5.785  -9.208
   77    H    LYS   9           H        LYS   9   5.124   2.449  -8.902
   78    HA   LYS   9           HA       LYS   9   4.203   4.593 -10.728
   79   1HB   LYS   9          1HB       LYS   9   5.232   2.282 -11.394
   80   2HB   LYS   9          2HB       LYS   9   3.633   1.647 -11.016
   81   1HG   LYS   9          1HG       LYS   9   3.079   2.166 -13.126
   82   2HG   LYS   9          2HG       LYS   9   3.096   3.873 -12.685
   83   1HD   LYS   9          1HD       LYS   9   5.429   2.196 -13.742
   84   2HD   LYS   9          2HD       LYS   9   4.489   3.333 -14.697
   85   1HE   LYS   9          1HE       LYS   9   5.559   4.716 -12.338
   86   2HE   LYS   9          2HE       LYS   9   6.857   3.820 -13.107
   87   1HZ   LYS   9          1HZ       LYS   9   6.324   4.954 -15.159
   88   2HZ   LYS   9          2HZ       LYS   9   5.059   5.737 -14.449
   89   3HZ   LYS   9          3HZ       LYS   9   6.596   6.056 -13.967
   90    H    ALA  10           H        ALA  10   2.891   2.656  -8.137
   91    HA   ALA  10           HA       ALA  10   0.090   3.363  -8.982
   92   1HB   ALA  10          1HB       ALA  10   0.555   0.959  -8.861
   93   2HB   ALA  10          2HB       ALA  10   1.022   1.120  -7.153
   94   3HB   ALA  10          3HB       ALA  10  -0.630   1.489  -7.647
   95    H    CYS  11           H        CYS  11   1.773   2.727  -5.863
   96    HA   CYS  11           HA       CYS  11  -0.096   4.439  -4.409
   97   1HB   CYS  11          1HB       CYS  11   2.347   3.418  -3.098
   98   2HB   CYS  11          2HB       CYS  11   0.685   3.393  -2.540
   99    H    THR  12           H        THR  12   1.079   5.962  -6.310
  100    HA   THR  12           HA       THR  12   3.407   7.404  -5.079
  101    HB   THR  12           HB       THR  12   3.787   5.872  -6.995
  102    HG1  THR  12           HG1      THR  12   4.271   8.633  -7.372
  103   1HG2  THR  12          1HG2      THR  12   1.774   6.366  -8.378
  104   2HG2  THR  12          2HG2      THR  12   2.407   8.006  -8.669
  105   3HG2  THR  12          3HG2      THR  12   3.290   6.606  -9.258
  106    H    VAL  13           H        VAL  13   0.238   7.850  -6.170
  107    HA   VAL  13           HA       VAL  13   0.648  10.658  -7.079
  108    HB   VAL  13           HB       VAL  13  -1.308  10.482  -8.276
  109   1HG1  VAL  13          1HG1      VAL  13   0.242   8.618  -9.078
  110   2HG1  VAL  13          2HG1      VAL  13  -0.741   7.500  -8.062
  111   3HG1  VAL  13          3HG1      VAL  13  -1.486   8.361  -9.403
  112   1HG2  VAL  13          1HG2      VAL  13  -2.172   8.315  -6.360
  113   2HG2  VAL  13          2HG2      VAL  13  -2.902   9.953  -6.603
  114   3HG2  VAL  13          3HG2      VAL  13  -3.062   8.711  -7.843
  115    H    CYS  14           H        CYS  14  -0.727   8.657  -4.630
  116    HA   CYS  14           HA       CYS  14  -1.995  10.814  -3.068
  117   1HB   CYS  14          1HB       CYS  14  -2.113   7.800  -3.213
  118   2HB   CYS  14          2HB       CYS  14  -3.027   8.768  -2.034
  119    H    HIS  15           H        HIS  15  -0.084   7.840  -2.481
  120    HA   HIS  15           HA       HIS  15   0.407   8.591   0.264
  121   1HB   HIS  15          1HB       HIS  15   1.336   6.308  -1.507
  122   2HB   HIS  15          2HB       HIS  15   1.899   6.494   0.144
  123    HD1  HIS  15           HD1      HIS  15   0.705   5.087   1.733
  124    HD2  HIS  15           HD2      HIS  15  -1.556   6.101  -1.633
  125    HE1  HIS  15           HE1      HIS  15  -1.367   3.624   1.827
  126    H    SER  16           H        SER  16   2.187   9.205  -2.600
  127    HA   SER  16           HA       SER  16   4.863   9.375  -1.566
  128   1HB   SER  16          1HB       SER  16   4.395   9.283  -3.949
  129   2HB   SER  16          2HB       SER  16   3.514  10.823  -3.888
  130    HG   SER  16           HG       SER  16   5.754  11.000  -4.556
  131    H    MET  17           H        MET  17   2.339  11.836  -2.022
  132    HA   MET  17           HA       MET  17   3.814  13.795  -0.303
  133   1HB   MET  17          1HB       MET  17   1.820  14.032  -2.574
  134   2HB   MET  17          2HB       MET  17   2.290  15.414  -1.568
  135   1HG   MET  17          1HG       MET  17   4.409  13.715  -2.927
  136   2HG   MET  17          2HG       MET  17   3.554  14.980  -3.807
  137   1HE   MET  17          1HE       MET  17   6.789  14.679  -3.287
  138   2HE   MET  17          2HE       MET  17   5.982  15.807  -4.411
  139   3HE   MET  17          3HE       MET  17   7.140  16.423  -3.206
  140    H    GLY  18           H        GLY  18   1.012  11.748  -0.288
  141   1HA   GLY  18          1HA       GLY  18  -0.502  11.423   1.390
  142   2HA   GLY  18          2HA       GLY  18   0.061  12.847   2.267
  143    H    VAL  19           H        VAL  19  -1.210  12.310  -1.036
  144    HA   VAL  19           HA       VAL  19  -3.066  14.618  -0.778
  145    HB   VAL  19           HB       VAL  19  -2.068  13.050  -3.183
  146   1HG1  VAL  19          1HG1      VAL  19  -4.326  13.772  -3.743
  147   2HG1  VAL  19          2HG1      VAL  19  -4.006  15.401  -3.088
  148   3HG1  VAL  19          3HG1      VAL  19  -3.171  14.830  -4.543
  149   1HG2  VAL  19          1HG2      VAL  19  -1.608  15.923  -2.270
  150   2HG2  VAL  19          2HG2      VAL  19  -0.426  14.607  -2.153
  151   3HG2  VAL  19          3HG2      VAL  19  -0.955  15.174  -3.743
  152    H    ALA  20           H        ALA  20  -5.235  14.343  -1.629
  153    HA   ALA  20           HA       ALA  20  -7.326  13.486  -1.365
  154   1HB   ALA  20          1HB       ALA  20  -6.554  12.119  -3.271
  155   2HB   ALA  20          2HB       ALA  20  -6.045  10.845  -2.142
  156   3HB   ALA  20          3HB       ALA  20  -7.759  11.283  -2.274
  157    H    GLY  21           H        GLY  21  -5.363  13.303   0.987
  158   1HA   GLY  21          1HA       GLY  21  -5.822  12.924   3.261
  159   2HA   GLY  21          2HA       GLY  21  -7.136  11.822   2.845
  160    H    ALA  22           H        ALA  22  -4.310  11.072   1.019
  161    HA   ALA  22           HA       ALA  22  -4.199   8.536   2.253
  162   1HB   ALA  22          1HB       ALA  22  -3.818   8.977  -0.111
  163   2HB   ALA  22          2HB       ALA  22  -2.310   9.830   0.254
  164   3HB   ALA  22          3HB       ALA  22  -2.444   8.087   0.554
  165    HA   PRO  23           HA       PRO  23  -1.040   8.913   5.472
  166   1HB   PRO  23          1HB       PRO  23  -0.090   6.452   5.513
  167   2HB   PRO  23          2HB       PRO  23  -1.789   6.795   6.023
  168   1HG   PRO  23          1HG       PRO  23  -0.810   5.792   3.375
  169   2HG   PRO  23          2HG       PRO  23  -2.116   5.072   4.365
  170   1HD   PRO  23          1HD       PRO  23  -2.706   6.750   2.355
  171   2HD   PRO  23          2HD       PRO  23  -3.586   6.882   3.907
  172    H    LYS  24           H        LYS  24   1.366   8.658   5.682
  173    HA   LYS  24           HA       LYS  24   2.587   9.445   3.092
  174   1HB   LYS  24          1HB       LYS  24   3.667   9.449   5.901
  175   2HB   LYS  24          2HB       LYS  24   4.587   9.975   4.492
  176   1HG   LYS  24          1HG       LYS  24   3.152  11.799   4.024
  177   2HG   LYS  24          2HG       LYS  24   1.847  11.149   5.023
  178   1HD   LYS  24          1HD       LYS  24   3.347  11.438   7.047
  179   2HD   LYS  24          2HD       LYS  24   4.485  12.316   6.021
  180   1HE   LYS  24          1HE       LYS  24   2.825  14.041   5.543
  181   2HE   LYS  24          2HE       LYS  24   1.519  13.069   6.232
  182   1HZ   LYS  24          1HZ       LYS  24   2.525  13.281   8.387
  183   2HZ   LYS  24          2HZ       LYS  24   3.752  14.194   7.785
  184   3HZ   LYS  24          3HZ       LYS  24   2.206  14.765   7.758
  185    H    SER  25           H        SER  25   4.003   8.360   1.934
  186    HA   SER  25           HA       SER  25   4.515   5.695   1.887
  187   1HB   SER  25          1HB       SER  25   5.218   7.566   0.270
  188   2HB   SER  25          2HB       SER  25   6.715   7.676   1.220
  189    HG   SER  25           HG       SER  25   6.713   6.156  -0.630
  190    H    HIS  26           H        HIS  26   5.986   7.882   4.213
  191    HA   HIS  26           HA       HIS  26   6.892   5.544   5.667
  192   1HB   HIS  26          1HB       HIS  26   9.013   6.234   6.236
  193   2HB   HIS  26          2HB       HIS  26   8.952   6.478   4.494
  194    HD1  HIS  26           HD1      HIS  26  10.386   8.089   7.296
  195    HD2  HIS  26           HD2      HIS  26   7.917   9.398   4.149
  196    HE1  HIS  26           HE1      HIS  26  10.673  10.621   7.144
  197    H    ASN  27           H        ASN  27   5.895   5.625   7.557
  198    HA   ASN  27           HA       ASN  27   5.870   7.996   9.235
  199   1HB   ASN  27          1HB       ASN  27   3.454   6.929   7.780
  200   2HB   ASN  27          2HB       ASN  27   3.293   7.038   9.538
  201   1HD2  ASN  27          1HD2      ASN  27   1.499   8.499   7.904
  202   2HD2  ASN  27          2HD2      ASN  27   1.965  10.163   8.104
  203    H    THR  28           H        THR  28   5.521   7.278  11.486
  204    HA   THR  28           HA       THR  28   5.654   4.273  11.844
  205    HB   THR  28           HB       THR  28   6.376   6.524  13.754
  206    HG1  THR  28           HG1      THR  28   8.169   4.738  12.538
  207   1HG2  THR  28          1HG2      THR  28   5.765   4.484  14.989
  208   2HG2  THR  28          2HG2      THR  28   6.789   3.500  13.921
  209   3HG2  THR  28          3HG2      THR  28   7.520   4.699  15.008
  210    H    ALA  29           H        ALA  29   3.937   7.229  12.961
  211    HA   ALA  29           HA       ALA  29   2.215   5.804  14.765
  212   1HB   ALA  29          1HB       ALA  29   2.815   8.159  15.030
  213   2HB   ALA  29          2HB       ALA  29   1.957   8.562  13.519
  214   3HB   ALA  29          3HB       ALA  29   1.053   7.947  14.924
  215    H    ASP  30           H        ASP  30   2.000   6.637  11.361
  216    HA   ASP  30           HA       ASP  30  -0.836   6.240  11.036
  217   1HB   ASP  30          1HB       ASP  30   0.939   7.715   9.810
  218   2HB   ASP  30          2HB       ASP  30   1.356   6.229   8.908
  219    H    TRP  31           H        TRP  31   2.102   4.362  10.757
  220    HA   TRP  31           HA       TRP  31   0.882   1.962   9.582
  221   1HB   TRP  31          1HB       TRP  31   3.684   2.751  10.376
  222   2HB   TRP  31          2HB       TRP  31   3.260   1.145   9.754
  223    HD1  TRP  31           HD1      TRP  31   3.185   4.849   8.630
  224    HE1  TRP  31           HE1      TRP  31   3.365   5.033   6.088
  225    HE3  TRP  31           HE3      TRP  31   3.259  -0.140   7.504
  226    HZ2  TRP  31           HZ2      TRP  31   3.407   3.253   3.856
  227    HZ3  TRP  31           HZ3      TRP  31   3.173  -0.835   5.078
  228    HH2  TRP  31           HH2      TRP  31   3.239   0.814   3.330
  229    H    GLU  32           H        GLU  32   2.091   3.019  12.832
  230    HA   GLU  32           HA       GLU  32   2.083   0.748  14.289
  231   1HB   GLU  32          1HB       GLU  32   1.317   3.560  14.811
  232   2HB   GLU  32          2HB       GLU  32   0.576   2.417  15.929
  233   1HG   GLU  32          1HG       GLU  32   2.775   1.440  16.460
  234   2HG   GLU  32          2HG       GLU  32   3.557   2.631  15.398
  235    HA   PRO  33           HA       PRO  33  -2.633   0.344  15.030
  236   1HB   PRO  33          1HB       PRO  33  -4.432   1.629  13.379
  237   2HB   PRO  33          2HB       PRO  33  -3.754   2.338  14.871
  238   1HG   PRO  33          1HG       PRO  33  -2.760   2.754  12.039
  239   2HG   PRO  33          2HG       PRO  33  -3.134   4.002  13.262
  240   1HD   PRO  33          1HD       PRO  33  -0.630   3.177  12.884
  241   2HD   PRO  33          2HD       PRO  33  -1.220   3.430  14.551
  242    H    ARG  34           H        ARG  34  -1.090   0.280  11.933
  243    HA   ARG  34           HA       ARG  34  -2.979  -1.654  10.733
  244   1HB   ARG  34          1HB       ARG  34  -0.384  -0.492   9.630
  245   2HB   ARG  34          2HB       ARG  34  -1.666  -1.277   8.720
  246   1HG   ARG  34          1HG       ARG  34  -2.000   1.364  10.241
  247   2HG   ARG  34          2HG       ARG  34  -1.586   1.249   8.554
  248   1HD   ARG  34          1HD       ARG  34  -3.634   0.332   7.928
  249   2HD   ARG  34          2HD       ARG  34  -4.045  -0.210   9.566
  250    HE   ARG  34           HE       ARG  34  -3.902   2.538   9.826
  251   1HH1  ARG  34          2HH1      ARG  34  -5.849   0.267   7.963
  252   2HH1  ARG  34          1HH1      ARG  34  -6.639   3.572   8.163
  253   1HH2  ARG  34          1HH2      ARG  34  -5.650   3.987   9.506
  254   2HH2  ARG  34          2HH2      ARG  34  -7.129   1.433   7.696
  255    H    LEU  35           H        LEU  35   0.425  -1.401  11.694
  256    HA   LEU  35           HA       LEU  35   1.131  -4.135  11.415
  257   1HB   LEU  35          1HB       LEU  35   2.378  -1.694  12.192
  258   2HB   LEU  35          2HB       LEU  35   2.527  -2.728  13.598
  259    HG   LEU  35           HG       LEU  35   3.563  -3.231  10.786
  260   1HD1  LEU  35          1HD1      LEU  35   4.848  -1.669  12.184
  261   2HD1  LEU  35          2HD1      LEU  35   4.940  -2.882  13.479
  262   3HD1  LEU  35          3HD1      LEU  35   5.750  -3.173  11.931
  263   1HD2  LEU  35          1HD2      LEU  35   3.608  -5.120  13.173
  264   2HD2  LEU  35          2HD2      LEU  35   2.871  -5.431  11.576
  265   3HD2  LEU  35          3HD2      LEU  35   4.616  -5.301  11.724
  266    H    ALA  36           H        ALA  36  -0.974  -2.719  13.683
  267    HA   ALA  36           HA       ALA  36  -0.301  -4.472  15.971
  268   1HB   ALA  36          1HB       ALA  36  -0.633  -2.076  16.399
  269   2HB   ALA  36          2HB       ALA  36  -2.248  -2.145  15.657
  270   3HB   ALA  36          3HB       ALA  36  -1.920  -3.029  17.163
  271    H    LYS  37           H        LYS  37  -2.860  -3.725  13.624
  272    HA   LYS  37           HA       LYS  37  -4.711  -5.757  14.471
  273   1HB   LYS  37          1HB       LYS  37  -4.214  -4.364  11.819
  274   2HB   LYS  37          2HB       LYS  37  -5.549  -5.488  12.068
  275   1HG   LYS  37          1HG       LYS  37  -5.173  -3.029  13.837
  276   2HG   LYS  37          2HG       LYS  37  -5.928  -2.935  12.259
  277   1HD   LYS  37          1HD       LYS  37  -7.862  -3.387  13.204
  278   2HD   LYS  37          2HD       LYS  37  -7.337  -5.062  13.375
  279   1HE   LYS  37          1HE       LYS  37  -6.680  -4.736  15.662
  280   2HE   LYS  37          2HE       LYS  37  -6.698  -2.972  15.509
  281   1HZ   LYS  37          1HZ       LYS  37  -9.062  -3.028  15.254
  282   2HZ   LYS  37          2HZ       LYS  37  -9.104  -4.668  15.362
  283   3HZ   LYS  37          3HZ       LYS  37  -8.644  -3.766  16.658
  284    H    GLY  38           H        GLY  38  -2.219  -5.592  11.879
  285   1HA   GLY  38          1HA       GLY  38  -0.849  -7.931  12.341
  286   2HA   GLY  38          2HA       GLY  38  -2.246  -8.482  11.405
  287    H    VAL  39           H        VAL  39  -1.566  -8.803   9.350
  288    HA   VAL  39           HA       VAL  39  -0.180  -6.576   7.900
  289    HB   VAL  39           HB       VAL  39   0.563  -9.504   7.510
  290   1HG1  VAL  39          1HG1      VAL  39   1.040  -7.880   5.651
  291   2HG1  VAL  39          2HG1      VAL  39   1.976  -6.891   6.800
  292   3HG1  VAL  39          3HG1      VAL  39   2.520  -8.525   6.384
  293   1HG2  VAL  39          1HG2      VAL  39   1.981  -7.467   9.275
  294   2HG2  VAL  39          2HG2      VAL  39   1.260  -9.010   9.795
  295   3HG2  VAL  39          3HG2      VAL  39   2.668  -9.013   8.737
  296    H    ASP  40           H        ASP  40  -1.636  -9.822   7.325
  297    HA   ASP  40           HA       ASP  40  -2.542  -9.253   4.760
  298   1HB   ASP  40          1HB       ASP  40  -3.712 -11.342   6.612
  299   2HB   ASP  40          2HB       ASP  40  -3.468 -11.414   4.857
  300    H    ASN  41           H        ASN  41  -3.630  -7.382   6.911
  301    HA   ASN  41           HA       ASN  41  -6.539  -7.481   6.416
  302   1HB   ASN  41          1HB       ASN  41  -5.140  -5.379   8.085
  303   2HB   ASN  41          2HB       ASN  41  -6.708  -6.071   8.398
  304   1HD2  ASN  41          1HD2      ASN  41  -3.920  -5.689   9.826
  305   2HD2  ASN  41          2HD2      ASN  41  -3.827  -7.201  10.702
  306    H    LEU  42           H        LEU  42  -3.560  -5.853   5.639
  307    HA   LEU  42           HA       LEU  42  -4.952  -3.515   4.454
  308   1HB   LEU  42          1HB       LEU  42  -2.048  -4.213   4.948
  309   2HB   LEU  42          2HB       LEU  42  -2.632  -2.730   4.214
  310    HG   LEU  42           HG       LEU  42  -2.359  -2.000   6.383
  311   1HD1  LEU  42          1HD1      LEU  42  -4.755  -1.645   5.871
  312   2HD1  LEU  42          2HD1      LEU  42  -5.147  -3.154   6.728
  313   3HD1  LEU  42          3HD1      LEU  42  -4.424  -1.813   7.602
  314   1HD2  LEU  42          1HD2      LEU  42  -3.074  -4.751   7.430
  315   2HD2  LEU  42          2HD2      LEU  42  -1.483  -3.992   7.355
  316   3HD2  LEU  42          3HD2      LEU  42  -2.727  -3.341   8.432
  317    H    VAL  43           H        VAL  43  -2.669  -6.096   3.437
  318    HA   VAL  43           HA       VAL  43  -2.689  -5.644   0.767
  319    HB   VAL  43           HB       VAL  43  -1.416  -7.397   2.156
  320   1HG1  VAL  43          1HG1      VAL  43  -3.489  -8.752   2.712
  321   2HG1  VAL  43          2HG1      VAL  43  -3.570  -9.218   0.999
  322   3HG1  VAL  43          3HG1      VAL  43  -2.167  -9.678   1.969
  323   1HG2  VAL  43          1HG2      VAL  43  -2.264  -7.867  -0.739
  324   2HG2  VAL  43          2HG2      VAL  43  -0.915  -6.874  -0.155
  325   3HG2  VAL  43          3HG2      VAL  43  -0.872  -8.629   0.041
  326    H    LYS  44           H        LYS  44  -5.286  -7.193   2.675
  327    HA   LYS  44           HA       LYS  44  -6.857  -7.915   0.354
  328   1HB   LYS  44          1HB       LYS  44  -8.726  -8.159   1.891
  329   2HB   LYS  44          2HB       LYS  44  -7.297  -9.123   2.280
  330   1HG   LYS  44          1HG       LYS  44  -6.677  -7.812   4.082
  331   2HG   LYS  44          2HG       LYS  44  -7.640  -6.420   3.582
  332   1HD   LYS  44          1HD       LYS  44  -8.996  -9.012   4.276
  333   2HD   LYS  44          2HD       LYS  44  -8.469  -7.904   5.556
  334   1HE   LYS  44          1HE       LYS  44  -9.680  -6.046   4.665
  335   2HE   LYS  44          2HE       LYS  44 -10.109  -6.914   3.186
  336   1HZ   LYS  44          1HZ       LYS  44 -11.432  -8.429   4.541
  337   2HZ   LYS  44          2HZ       LYS  44 -11.067  -7.586   5.903
  338   3HZ   LYS  44          3HZ       LYS  44 -11.960  -6.882   4.716
  339    H    SER  45           H        SER  45  -6.538  -4.942   2.246
  340    HA   SER  45           HA       SER  45  -9.019  -3.728   1.367
  341   1HB   SER  45          1HB       SER  45  -7.849  -3.488   3.585
  342   2HB   SER  45          2HB       SER  45  -6.761  -2.324   2.795
  343    HG   SER  45           HG       SER  45  -8.793  -1.477   3.781
  344    H    VAL  46           H        VAL  46  -5.556  -3.551   0.655
  345    HA   VAL  46           HA       VAL  46  -5.747  -1.535  -1.399
  346    HB   VAL  46           HB       VAL  46  -3.652  -2.146  -0.144
  347   1HG1  VAL  46          1HG1      VAL  46  -4.053  -4.512  -0.274
  348   2HG1  VAL  46          2HG1      VAL  46  -3.549  -4.586  -1.979
  349   3HG1  VAL  46          3HG1      VAL  46  -2.397  -4.085  -0.734
  350   1HG2  VAL  46          1HG2      VAL  46  -3.447  -2.548  -3.142
  351   2HG2  VAL  46          2HG2      VAL  46  -3.399  -0.959  -2.304
  352   3HG2  VAL  46          3HG2      VAL  46  -2.125  -2.180  -2.003
  353    H    LYS  47           H        LYS  47  -5.749  -5.169  -1.487
  354    HA   LYS  47           HA       LYS  47  -5.897  -5.123  -4.306
  355   1HB   LYS  47          1HB       LYS  47  -5.764  -7.334  -4.302
  356   2HB   LYS  47          2HB       LYS  47  -5.182  -6.973  -2.697
  357   1HG   LYS  47          1HG       LYS  47  -6.552  -8.862  -2.521
  358   2HG   LYS  47          2HG       LYS  47  -7.479  -7.551  -1.786
  359   1HD   LYS  47          1HD       LYS  47  -9.061  -7.535  -3.491
  360   2HD   LYS  47          2HD       LYS  47  -7.872  -7.993  -4.724
  361   1HE   LYS  47          1HE       LYS  47  -7.921 -10.335  -3.820
  362   2HE   LYS  47          2HE       LYS  47  -9.126  -9.828  -2.620
  363   1HZ   LYS  47          1HZ       LYS  47 -10.585  -9.226  -4.457
  364   2HZ   LYS  47          2HZ       LYS  47  -9.462  -9.704  -5.553
  365   3HZ   LYS  47          3HZ       LYS  47 -10.164 -10.816  -4.564
  366    H    THR  48           H        THR  48  -8.382  -5.168  -1.820
  367    HA   THR  48           HA       THR  48 -10.617  -5.364  -3.687
  368    HB   THR  48           HB       THR  48 -10.556  -5.959  -1.176
  369    HG1  THR  48           HG1      THR  48 -12.793  -5.279  -1.046
  370   1HG2  THR  48          1HG2      THR  48  -9.974  -3.569  -0.506
  371   2HG2  THR  48          2HG2      THR  48 -11.625  -3.109  -0.914
  372   3HG2  THR  48          3HG2      THR  48 -11.323  -4.297   0.374
  373    H    GLY  49           H        GLY  49  -8.742  -2.636  -2.364
  374   1HA   GLY  49          1HA       GLY  49  -8.669  -0.484  -3.221
  375   2HA   GLY  49          2HA       GLY  49 -10.160  -0.707  -4.129
  376    H    LEU  50           H        LEU  50  -8.850   0.727  -1.422
  377    HA   LEU  50           HA       LEU  50 -11.347   1.021   0.085
  378   1HB   LEU  50          1HB       LEU  50  -8.828   1.066   0.863
  379   2HB   LEU  50          2HB       LEU  50  -8.896   2.745   0.382
  380    HG   LEU  50           HG       LEU  50 -11.228   2.391   1.969
  381   1HD1  LEU  50          1HD1      LEU  50 -10.471   0.142   2.608
  382   2HD1  LEU  50          2HD1      LEU  50  -8.939   0.830   3.215
  383   3HD1  LEU  50          3HD1      LEU  50 -10.479   1.251   3.994
  384   1HD2  LEU  50          1HD2      LEU  50  -8.438   3.312   2.790
  385   2HD2  LEU  50          2HD2      LEU  50  -9.741   4.265   2.040
  386   3HD2  LEU  50          3HD2      LEU  50  -9.942   3.642   3.687
  387    H    ASN  51           H        ASN  51 -11.589   3.707   0.581
  388    HA   ASN  51           HA       ASN  51 -13.415   4.266  -1.376
  389   1HB   ASN  51          1HB       ASN  51 -12.242   6.561   0.251
  390   2HB   ASN  51          2HB       ASN  51 -13.888   6.336  -0.313
  391   1HD2  ASN  51          1HD2      ASN  51 -11.458   5.626   2.041
  392   2HD2  ASN  51          2HD2      ASN  51 -12.323   4.386   2.940
  393    H    ALA  52           H        ALA  52 -10.595   6.397  -0.916
  394    HA   ALA  52           HA       ALA  52 -10.687   7.403  -3.662
  395   1HB   ALA  52          1HB       ALA  52 -10.001   8.768  -1.690
  396   2HB   ALA  52          2HB       ALA  52  -8.617   7.672  -1.479
  397   3HB   ALA  52          3HB       ALA  52  -8.724   8.693  -2.927
  398    H    MET  53           H        MET  53  -9.876   4.353  -2.725
  399    HA   MET  53           HA       MET  53  -7.338   4.295  -4.241
  400   1HB   MET  53          1HB       MET  53  -8.245   3.056  -1.838
  401   2HB   MET  53          2HB       MET  53  -7.927   1.754  -2.990
  402   1HG   MET  53          1HG       MET  53  -5.636   2.282  -3.122
  403   2HG   MET  53          2HG       MET  53  -5.958   3.977  -2.719
  404   1HE   MET  53          1HE       MET  53  -6.609   0.508  -0.855
  405   2HE   MET  53          2HE       MET  53  -4.911   0.592  -1.402
  406   3HE   MET  53          3HE       MET  53  -5.303   0.637   0.330
  407    HA   PRO  54           HA       PRO  54  -9.228   2.215  -7.635
  408   1HB   PRO  54          1HB       PRO  54  -7.014   1.103  -8.862
  409   2HB   PRO  54          2HB       PRO  54  -7.443   2.835  -8.933
  410   1HG   PRO  54          1HG       PRO  54  -5.508   1.505  -7.021
  411   2HG   PRO  54          2HG       PRO  54  -5.242   2.978  -8.006
  412   1HD   PRO  54          1HD       PRO  54  -5.931   3.046  -5.401
  413   2HD   PRO  54          2HD       PRO  54  -6.605   4.247  -6.548
  414    HA   PRO  55           HA       PRO  55  -9.806  -1.881  -5.883
  415   1HB   PRO  55          1HB       PRO  55 -11.143  -3.140  -7.876
  416   2HB   PRO  55          2HB       PRO  55 -11.863  -1.816  -6.917
  417   1HG   PRO  55          1HG       PRO  55 -10.528  -1.599  -9.631
  418   2HG   PRO  55          2HG       PRO  55 -12.126  -0.960  -9.147
  419   1HD   PRO  55          1HD       PRO  55  -9.903   0.595  -9.145
  420   2HD   PRO  55          2HD       PRO  55 -11.134   0.768  -7.854
  421    H    GLY  56           H        GLY  56  -7.835  -2.767  -5.562
  422   1HA   GLY  56          1HA       GLY  56  -6.405  -4.658  -6.267
  423   2HA   GLY  56          2HA       GLY  56  -6.503  -4.079  -7.883
  424    H    GLY  57           H        GLY  57  -6.153  -1.456  -5.652
  425   1HA   GLY  57          1HA       GLY  57  -4.380  -0.016  -5.278
  426   2HA   GLY  57          2HA       GLY  57  -3.360  -1.464  -5.203
  427    H    MET  58           H        MET  58  -5.252  -0.503  -7.964
  428    HA   MET  58           HA       MET  58  -4.874   0.150 -10.036
  429   1HB   MET  58          1HB       MET  58  -3.409   1.905  -8.837
  430   2HB   MET  58          2HB       MET  58  -2.024   0.972  -9.408
  431   1HG   MET  58          1HG       MET  58  -4.040   1.592 -11.504
  432   2HG   MET  58          2HG       MET  58  -3.288   3.005 -10.783
  433   1HE   MET  58          1HE       MET  58  -3.141   0.607 -13.572
  434   2HE   MET  58          2HE       MET  58  -3.224   2.373 -13.826
  435   3HE   MET  58          3HE       MET  58  -1.818   1.448 -14.412
  436    H    CYS  59           H        CYS  59  -3.276  -2.465  -8.687
  437    HA   CYS  59           HA       CYS  59  -1.857  -3.189 -11.210
  438   1HB   CYS  59          1HB       CYS  59  -0.621  -3.071  -9.021
  439   2HB   CYS  59          2HB       CYS  59  -1.598  -4.446  -8.483
  440    H    THR  60           H        THR  60  -3.014  -4.443 -12.565
  441    HA   THR  60           HA       THR  60  -5.200  -6.171 -11.765
  442    HB   THR  60           HB       THR  60  -5.010  -6.856 -14.194
  443    HG1  THR  60           HG1      THR  60  -3.465  -5.803 -15.416
  444   1HG2  THR  60          1HG2      THR  60  -6.390  -4.874 -13.503
  445   2HG2  THR  60          2HG2      THR  60  -4.970  -3.830 -13.713
  446   3HG2  THR  60          3HG2      THR  60  -5.669  -4.664 -15.112
  447    H    ASP  61           H        ASP  61  -1.936  -6.704 -13.016
  448    HA   ASP  61           HA       ASP  61  -1.859  -9.539 -12.111
  449   1HB   ASP  61          1HB       ASP  61   0.077  -8.019 -13.890
  450   2HB   ASP  61          2HB       ASP  61   0.028  -9.765 -13.612
  451    H    CYS  62           H        CYS  62  -1.686  -8.489  -9.862
  452    HA   CYS  62           HA       CYS  62   1.272  -8.527  -9.270
  453   1HB   CYS  62          1HB       CYS  62  -0.873  -6.916  -7.870
  454   2HB   CYS  62          2HB       CYS  62   0.581  -7.477  -7.049
  455    H    THR  63           H        THR  63   1.984 -10.222  -8.033
  456    HA   THR  63           HA       THR  63   0.041 -12.135  -6.977
  457    HB   THR  63           HB       THR  63   1.918 -13.429  -6.427
  458    HG1  THR  63           HG1      THR  63   3.837 -11.520  -7.050
  459   1HG2  THR  63          1HG2      THR  63   1.527 -13.329  -8.866
  460   2HG2  THR  63          2HG2      THR  63   2.740 -12.038  -9.008
  461   3HG2  THR  63          3HG2      THR  63   3.226 -13.646  -8.457
  462    H    ASP  64           H        ASP  64   0.141 -12.759  -4.631
  463    HA   ASP  64           HA       ASP  64   0.176 -10.642  -2.764
  464   1HB   ASP  64          1HB       ASP  64   0.062 -13.574  -2.741
  465   2HB   ASP  64          2HB       ASP  64   0.768 -12.886  -1.278
  466    H    GLU  65           H        GLU  65   2.873 -12.790  -3.816
  467    HA   GLU  65           HA       GLU  65   4.785 -11.927  -1.907
  468   1HB   GLU  65          1HB       GLU  65   5.213 -12.794  -4.807
  469   2HB   GLU  65          2HB       GLU  65   6.463 -12.623  -3.570
  470   1HG   GLU  65          1HG       GLU  65   5.176 -14.308  -2.151
  471   2HG   GLU  65          2HG       GLU  65   4.148 -14.610  -3.564
  472    H    ASP  66           H        ASP  66   4.070 -10.605  -5.187
  473    HA   ASP  66           HA       ASP  66   5.924  -8.430  -4.837
  474   1HB   ASP  66          1HB       ASP  66   3.709  -8.681  -6.905
  475   2HB   ASP  66          2HB       ASP  66   5.165  -7.669  -6.984
  476    H    TYR  67           H        TYR  67   2.370  -8.685  -4.242
  477    HA   TYR  67           HA       TYR  67   1.945  -5.881  -3.691
  478   1HB   TYR  67          1HB       TYR  67   0.583  -8.468  -2.918
  479   2HB   TYR  67          2HB       TYR  67   0.155  -6.987  -2.095
  480    HD1  TYR  67           HD1      TYR  67  -1.015  -9.029  -4.573
  481    HD2  TYR  67           HD2      TYR  67  -0.304  -4.879  -3.654
  482    HE1  TYR  67           HE1      TYR  67  -2.959  -8.383  -5.961
  483    HE2  TYR  67           HE2      TYR  67  -2.251  -4.242  -5.054
  484    HH   TYR  67           HH       TYR  67  -3.759  -5.052  -6.696
  485    H    LYS  68           H        LYS  68   2.811  -8.631  -1.593
  486    HA   LYS  68           HA       LYS  68   2.767  -7.113   0.867
  487   1HB   LYS  68          1HB       LYS  68   3.884  -9.843   0.144
  488   2HB   LYS  68          2HB       LYS  68   4.065  -9.124   1.749
  489   1HG   LYS  68          1HG       LYS  68   1.704  -8.952   2.092
  490   2HG   LYS  68          2HG       LYS  68   1.346  -9.431   0.421
  491   1HD   LYS  68          1HD       LYS  68   2.083 -11.634   0.706
  492   2HD   LYS  68          2HD       LYS  68   2.916 -11.308   2.229
  493   1HE   LYS  68          1HE       LYS  68  -0.117 -11.032   1.891
  494   2HE   LYS  68          2HE       LYS  68   0.650 -12.553   2.339
  495   1HZ   LYS  68          1HZ       LYS  68   1.596 -11.480   4.275
  496   2HZ   LYS  68          2HZ       LYS  68   0.819 -10.066   3.919
  497   3HZ   LYS  68          3HZ       LYS  68  -0.024 -11.431   4.267
  498    H    ALA  69           H        ALA  69   5.435  -8.232  -1.308
  499    HA   ALA  69           HA       ALA  69   7.586  -6.907  -0.085
  500   1HB   ALA  69          1HB       ALA  69   7.797  -8.427  -1.956
  501   2HB   ALA  69          2HB       ALA  69   6.992  -7.261  -3.026
  502   3HB   ALA  69          3HB       ALA  69   8.575  -6.874  -2.302
  503    H    ALA  70           H        ALA  70   4.998  -5.559  -2.148
  504    HA   ALA  70           HA       ALA  70   6.239  -2.922  -2.405
  505   1HB   ALA  70          1HB       ALA  70   4.778  -3.802  -4.154
  506   2HB   ALA  70          2HB       ALA  70   3.394  -3.767  -3.043
  507   3HB   ALA  70          3HB       ALA  70   4.197  -2.258  -3.511
  508    H    ILE  71           H        ILE  71   3.697  -4.275  -0.322
  509    HA   ILE  71           HA       ILE  71   3.231  -1.823   1.167
  510    HB   ILE  71           HB       ILE  71   2.465  -4.695   1.300
  511   1HG1  ILE  71          1HG1      ILE  71   0.289  -3.380   2.124
  512   2HG1  ILE  71          2HG1      ILE  71   1.074  -2.098   1.201
  513   1HG2  ILE  71          1HG2      ILE  71   3.296  -4.690   3.521
  514   2HG2  ILE  71          2HG2      ILE  71   2.502  -3.142   3.873
  515   3HG2  ILE  71          3HG2      ILE  71   1.551  -4.614   3.550
  516   1HD1  ILE  71          1HD1      ILE  71   1.248  -3.565  -0.758
  517   2HD1  ILE  71          2HD1      ILE  71   0.473  -4.886   0.160
  518   3HD1  ILE  71          3HD1      ILE  71  -0.420  -3.398  -0.188
  519    H    GLU  72           H        GLU  72   5.202  -4.718   1.981
  520    HA   GLU  72           HA       GLU  72   6.268  -3.512   4.316
  521   1HB   GLU  72          1HB       GLU  72   7.561  -5.476   4.606
  522   2HB   GLU  72          2HB       GLU  72   6.000  -5.956   3.928
  523   1HG   GLU  72          1HG       GLU  72   7.290  -7.171   2.484
  524   2HG   GLU  72          2HG       GLU  72   7.435  -5.622   1.637
  525    H    PHE  73           H        PHE  73   7.397  -3.276   0.960
  526    HA   PHE  73           HA       PHE  73   9.939  -2.270   1.261
  527   1HB   PHE  73          1HB       PHE  73   8.747  -2.293  -0.869
  528   2HB   PHE  73          2HB       PHE  73   7.626  -1.060  -0.306
  529    HD1  PHE  73           HD1      PHE  73   8.435   1.306   0.105
  530    HD2  PHE  73           HD2      PHE  73  10.904  -1.693  -1.772
  531    HE1  PHE  73           HE1      PHE  73  10.104   3.038  -0.467
  532    HE2  PHE  73           HE2      PHE  73  12.486   0.083  -2.491
  533    HZ   PHE  73           HZ       PHE  73  12.113   2.432  -1.815
  534    H    MET  74           H        MET  74   6.909  -0.501   2.059
  535    HA   MET  74           HA       MET  74   8.317   1.871   2.900
  536   1HB   MET  74          1HB       MET  74   5.494   0.863   3.198
  537   2HB   MET  74          2HB       MET  74   6.011   2.421   3.881
  538   1HG   MET  74          1HG       MET  74   5.117   3.113   1.859
  539   2HG   MET  74          2HG       MET  74   6.811   2.930   1.445
  540   1HE   MET  74          1HE       MET  74   3.208   0.988   1.239
  541   2HE   MET  74          2HE       MET  74   3.321   2.458   0.242
  542   3HE   MET  74          3HE       MET  74   3.262   0.855  -0.512
  543    H    SER  75           H        SER  75   6.704  -0.785   4.650
  544    HA   SER  75           HA       SER  75   8.496  -0.421   6.929
  545   1HB   SER  75          1HB       SER  75   5.970   0.918   6.999
  546   2HB   SER  75          2HB       SER  75   5.896  -0.389   8.196
  547    HG   SER  75           HG       SER  75   6.962   1.846   8.641
  548    H    LYS  76           H        LYS  76   5.273  -1.917   6.707
  549    HA   LYS  76           HA       LYS  76   5.476  -4.466   6.101
  550   1HB   LYS  76          1HB       LYS  76   5.891  -5.696   8.127
  551   2HB   LYS  76          2HB       LYS  76   7.327  -5.028   7.422
  552   1HG   LYS  76          1HG       LYS  76   6.412  -3.084   9.325
  553   2HG   LYS  76          2HG       LYS  76   6.101  -4.627  10.087
  554   1HD   LYS  76          1HD       LYS  76   8.329  -5.100  10.403
  555   2HD   LYS  76          2HD       LYS  76   8.813  -4.421   8.849
  556   1HE   LYS  76          1HE       LYS  76   8.451  -2.101   9.747
  557   2HE   LYS  76          2HE       LYS  76   8.158  -2.804  11.349
  558   1HZ   LYS  76          1HZ       LYS  76  10.397  -3.729  11.234
  559   2HZ   LYS  76          2HZ       LYS  76  10.619  -3.078   9.737
  560   3HZ   LYS  76          3HZ       LYS  76  10.444  -2.094  11.041
  561    H    ALA  77           H        ALA  77   3.435  -2.744   6.033
  562    HA   ALA  77           HA       ALA  77   1.392  -4.282   7.273
  563   1HB   ALA  77          1HB       ALA  77   1.880  -3.138   9.319
  564   2HB   ALA  77          2HB       ALA  77   1.808  -1.554   8.531
  565   3HB   ALA  77          3HB       ALA  77   0.347  -2.563   8.686
  566    H    LYS  78           H        LYS  78   1.225  -0.791   6.618
  567    HA   LYS  78           HA       LYS  78  -0.990  -1.355   4.762
  568   1HB   LYS  78          1HB       LYS  78  -1.614   0.958   4.999
  569   2HB   LYS  78          2HB       LYS  78  -1.432   0.217   6.585
  570   1HG   LYS  78          1HG       LYS  78   0.478   1.479   7.085
  571   2HG   LYS  78          2HG       LYS  78   0.961   1.511   5.403
  572   1HD   LYS  78          1HD       LYS  78   0.389   3.542   5.176
  573   2HD   LYS  78          2HD       LYS  78  -1.289   3.079   5.220
  574   1HE   LYS  78          1HE       LYS  78   0.141   3.490   7.855
  575   2HE   LYS  78          2HE       LYS  78  -0.063   4.893   6.876
  576   1HZ   LYS  78          1HZ       LYS  78  -2.557   4.420   6.883
  577   2HZ   LYS  78          2HZ       LYS  78  -2.220   3.263   8.005
  578   3HZ   LYS  78          3HZ       LYS  78  -1.849   4.840   8.263
  579    HHA  HEC  90           HHA      HEC  90  -5.823   4.181   3.508
  580    HHB  HEC  90           HHB      HEC  90  -1.415   0.041   1.129
  581    HHC  HEC  90           HHC      HEC  90  -2.017   2.964  -4.597
  582    HHD  HEC  90           HHD      HEC  90  -5.373   7.712  -1.839
  583   1HMA  HEC  90          1HMA      HEC  90  -3.833  -1.111   2.855
  584   2HMA  HEC  90          2HMA      HEC  90  -2.129  -0.663   3.037
  585   3HMA  HEC  90          3HMA      HEC  90  -3.251  -0.433   4.395
  586   1HAA  HEC  90          1HAA      HEC  90  -5.061   0.803   5.026
  587   2HAA  HEC  90          2HAA      HEC  90  -6.072   2.145   4.526
  588   1HBA  HEC  90          1HBA      HEC  90  -3.534   3.311   5.007
  589   2HBA  HEC  90          2HBA      HEC  90  -3.689   2.112   6.290
  590   1HMB  HEC  90          1HMB      HEC  90  -0.212  -1.375  -1.152
  591   2HMB  HEC  90          2HMB      HEC  90   1.060  -0.274  -1.687
  592   3HMB  HEC  90          3HMB      HEC  90   0.480  -0.172  -0.047
  593    HAB  HEC  90           HAB      HEC  90  -0.702   1.373  -4.858
  594   1HBB  HEC  90          1HBB      HEC  90  -1.341  -1.011  -4.413
  595   2HBB  HEC  90          2HBB      HEC  90   0.153  -0.774  -5.335
  596   3HBB  HEC  90          3HBB      HEC  90   0.229  -1.231  -3.628
  597   1HMC  HEC  90          1HMC      HEC  90  -4.074   5.088  -6.491
  598   2HMC  HEC  90          2HMC      HEC  90  -2.578   6.025  -6.246
  599   3HMC  HEC  90          3HMC      HEC  90  -2.565   4.274  -6.157
  600    HAC  HEC  90           HAC      HEC  90  -5.668   7.752  -3.968
  601   1HBC  HEC  90          1HBC      HEC  90  -5.912   6.577  -5.982
  602   2HBC  HEC  90          2HBC      HEC  90  -5.806   8.340  -6.148
  603   3HBC  HEC  90          3HBC      HEC  90  -4.417   7.346  -6.599
  604   1HMD  HEC  90          1HMD      HEC  90  -7.655   8.405   0.255
  605   2HMD  HEC  90          2HMD      HEC  90  -6.596   9.085   1.456
  606   3HMD  HEC  90          3HMD      HEC  90  -6.102   9.101  -0.236
  607   1HAD  HEC  90          1HAD      HEC  90  -6.839   7.790   3.365
  608   2HAD  HEC  90          2HAD      HEC  90  -6.814   6.127   3.896
  609   1HBD  HEC  90          1HBD      HEC  90  -9.047   6.129   3.495
  610   2HBD  HEC  90          2HBD      HEC  90  -8.549   5.945   1.789
  Start of MODEL   18
    1   1H    ALA  -3          1H        ALA  -3   0.288  -4.953 -17.044
    2   2H    ALA  -3          2H        ALA  -3  -0.191  -3.519 -17.727
    3   3H    ALA  -3          3H        ALA  -3   1.217  -4.271 -18.214
    4    HA   ALA  -3           HA       ALA  -3   1.560  -2.323 -16.723
    5   1HB   ALA  -3          1HB       ALA  -3  -0.332  -2.944 -15.202
    6   2HB   ALA  -3          2HB       ALA  -3   0.591  -4.362 -14.663
    7   3HB   ALA  -3          3HB       ALA  -3   1.189  -2.730 -14.331
    8    H    ASP  -2           H        ASP  -2   3.080  -3.538 -14.395
    9    HA   ASP  -2           HA       ASP  -2   4.743  -5.615 -15.537
   10   1HB   ASP  -2          1HB       ASP  -2   6.820  -4.268 -15.539
   11   2HB   ASP  -2          2HB       ASP  -2   5.678  -3.832 -16.807
   12    H    LEU  -1           H        LEU  -1   4.877  -6.907 -13.898
   13    HA   LEU  -1           HA       LEU  -1   5.314  -5.915 -11.128
   14   1HB   LEU  -1          1HB       LEU  -1   3.113  -6.948 -11.443
   15   2HB   LEU  -1          2HB       LEU  -1   3.875  -8.375 -12.128
   16    HG   LEU  -1           HG       LEU  -1   5.223  -8.172  -9.693
   17   1HD1  LEU  -1          1HD1      LEU  -1   4.126  -6.818  -8.347
   18   2HD1  LEU  -1          2HD1      LEU  -1   2.667  -6.763  -9.328
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.934  -8.109  -8.206
   20   1HD2  LEU  -1          1HD2      LEU  -1   2.736  -9.811 -10.224
   21   2HD2  LEU  -1          2HD2      LEU  -1   4.386 -10.207 -10.733
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.998 -10.113  -9.013
   23    H    GLN   1           H        GLN   1   7.582  -5.911 -11.529
   24    HA   GLN   1           HA       GLN   1   8.789  -8.630 -11.517
   25   1HB   GLN   1          1HB       GLN   1   9.274  -6.481 -13.259
   26   2HB   GLN   1          2HB       GLN   1  10.620  -6.372 -12.117
   27   1HG   GLN   1          1HG       GLN   1  11.144  -8.770 -12.552
   28   2HG   GLN   1          2HG       GLN   1   9.767  -8.865 -13.670
   29   1HE2  GLN   1          1HE2      GLN   1  12.428  -9.508 -14.445
   30   2HE2  GLN   1          2HE2      GLN   1  12.905  -8.290 -15.627
   31    H    ASP   2           H        ASP   2   8.318  -6.008  -9.443
   32    HA   ASP   2           HA       ASP   2  10.117  -7.105  -7.431
   33   1HB   ASP   2          1HB       ASP   2  11.506  -5.558  -8.886
   34   2HB   ASP   2          2HB       ASP   2  10.416  -4.232  -8.465
   35    H    ALA   3           H        ALA   3   9.860  -4.871  -5.776
   36    HA   ALA   3           HA       ALA   3   6.934  -4.581  -5.160
   37   1HB   ALA   3          1HB       ALA   3   8.043  -6.022  -3.593
   38   2HB   ALA   3          2HB       ALA   3   9.455  -4.950  -3.471
   39   3HB   ALA   3          3HB       ALA   3   7.909  -4.423  -2.805
   40    H    GLU   4           H        GLU   4  10.200  -3.014  -5.188
   41    HA   GLU   4           HA       GLU   4   9.230  -0.513  -4.234
   42   1HB   GLU   4          1HB       GLU   4  11.563  -0.848  -4.203
   43   2HB   GLU   4          2HB       GLU   4  11.638  -1.198  -5.933
   44   1HG   GLU   4          1HG       GLU   4  11.604   1.023  -6.520
   45   2HG   GLU   4          2HG       GLU   4  10.370   1.442  -5.334
   46    H    ALA   5           H        ALA   5   9.535  -1.921  -7.480
   47    HA   ALA   5           HA       ALA   5   8.751   0.458  -8.895
   48   1HB   ALA   5          1HB       ALA   5  10.011  -1.372  -9.927
   49   2HB   ALA   5          2HB       ALA   5   8.617  -2.462  -9.735
   50   3HB   ALA   5          3HB       ALA   5   8.506  -1.053 -10.818
   51    H    ILE   6           H        ILE   6   6.914  -2.137  -7.369
   52    HA   ILE   6           HA       ILE   6   4.363  -1.584  -8.650
   53    HB   ILE   6           HB       ILE   6   5.316  -3.058  -6.193
   54   1HG1  ILE   6          1HG1      ILE   6   4.545  -4.986  -7.205
   55   2HG1  ILE   6          2HG1      ILE   6   3.560  -4.138  -8.411
   56   1HG2  ILE   6          1HG2      ILE   6   3.191  -2.109  -5.402
   57   2HG2  ILE   6          2HG2      ILE   6   2.395  -2.552  -6.927
   58   3HG2  ILE   6          3HG2      ILE   6   2.947  -3.807  -5.799
   59   1HD1  ILE   6          1HD1      ILE   6   5.454  -3.549  -9.719
   60   2HD1  ILE   6          2HD1      ILE   6   6.594  -3.917  -8.404
   61   3HD1  ILE   6          3HD1      ILE   6   5.733  -5.225  -9.193
   62    H    TYR   7           H        TYR   7   5.771  -0.688  -5.379
   63    HA   TYR   7           HA       TYR   7   3.486   1.020  -5.017
   64   1HB   TYR   7          1HB       TYR   7   4.182   1.608  -2.963
   65   2HB   TYR   7          2HB       TYR   7   5.004   0.071  -3.146
   66    HD1  TYR   7           HD1      TYR   7   5.332   3.780  -3.129
   67    HD2  TYR   7           HD2      TYR   7   7.440   0.030  -3.079
   68    HE1  TYR   7           HE1      TYR   7   7.504   4.996  -3.059
   69    HE2  TYR   7           HE2      TYR   7   9.618   1.283  -3.056
   70    HH   TYR   7           HH       TYR   7  10.597   3.367  -3.409
   71    H    ASN   8           H        ASN   8   6.711   1.674  -6.215
   72    HA   ASN   8           HA       ASN   8   6.442   4.488  -6.384
   73   1HB   ASN   8          1HB       ASN   8   8.560   3.147  -6.208
   74   2HB   ASN   8          2HB       ASN   8   8.314   2.611  -7.880
   75   1HD2  ASN   8          1HD2      ASN   8  10.240   3.553  -8.660
   76   2HD2  ASN   8          2HD2      ASN   8  10.415   5.306  -8.736
   77    H    LYS   9           H        LYS   9   5.416   1.959  -8.636
   78    HA   LYS   9           HA       LYS   9   4.669   4.036 -10.617
   79   1HB   LYS   9          1HB       LYS   9   5.720   1.897 -11.215
   80   2HB   LYS   9          2HB       LYS   9   4.237   1.049 -10.744
   81   1HG   LYS   9          1HG       LYS   9   3.217   1.584 -12.695
   82   2HG   LYS   9          2HG       LYS   9   3.595   3.294 -12.524
   83   1HD   LYS   9          1HD       LYS   9   4.556   2.386 -14.579
   84   2HD   LYS   9          2HD       LYS   9   5.820   2.983 -13.489
   85   1HE   LYS   9          1HE       LYS   9   6.537   0.789 -12.888
   86   2HE   LYS   9          2HE       LYS   9   5.016   0.049 -13.400
   87   1HZ   LYS   9          1HZ       LYS   9   5.623   0.048 -15.527
   88   2HZ   LYS   9          2HZ       LYS   9   6.794   1.264 -15.416
   89   3HZ   LYS   9          3HZ       LYS   9   6.974  -0.288 -14.811
   90    H    ALA  10           H        ALA  10   3.142   2.182  -8.041
   91    HA   ALA  10           HA       ALA  10   0.415   2.766  -9.180
   92   1HB   ALA  10          1HB       ALA  10   1.049   0.375  -8.939
   93   2HB   ALA  10          2HB       ALA  10   1.134   0.605  -7.176
   94   3HB   ALA  10          3HB       ALA  10  -0.390   0.858  -8.030
   95    H    CYS  11           H        CYS  11   1.825   2.299  -5.889
   96    HA   CYS  11           HA       CYS  11  -0.177   4.019  -4.670
   97   1HB   CYS  11          1HB       CYS  11   2.303   3.249  -3.243
   98   2HB   CYS  11          2HB       CYS  11   0.643   3.271  -2.660
   99    H    THR  12           H        THR  12   1.372   5.333  -6.736
  100    HA   THR  12           HA       THR  12   3.331   7.030  -5.277
  101    HB   THR  12           HB       THR  12   4.103   5.450  -7.055
  102    HG1  THR  12           HG1      THR  12   4.405   8.203  -7.527
  103   1HG2  THR  12          1HG2      THR  12   2.170   5.763  -8.649
  104   2HG2  THR  12          2HG2      THR  12   2.716   7.423  -8.954
  105   3HG2  THR  12          3HG2      THR  12   3.741   6.069  -9.409
  106    H    VAL  13           H        VAL  13   0.312   7.372  -6.072
  107    HA   VAL  13           HA       VAL  13   0.494  10.046  -7.393
  108    HB   VAL  13           HB       VAL  13  -1.869   8.137  -7.079
  109   1HG1  VAL  13          1HG1      VAL  13  -2.459  10.485  -7.478
  110   2HG1  VAL  13          2HG1      VAL  13  -1.329  10.536  -8.855
  111   3HG1  VAL  13          3HG1      VAL  13  -2.786   9.508  -8.926
  112   1HG2  VAL  13          1HG2      VAL  13   0.065   8.455  -9.418
  113   2HG2  VAL  13          2HG2      VAL  13  -0.179   6.987  -8.446
  114   3HG2  VAL  13          3HG2      VAL  13  -1.477   7.576  -9.481
  115    H    CYS  14           H        CYS  14  -1.065   8.230  -4.820
  116    HA   CYS  14           HA       CYS  14  -2.088  10.588  -3.394
  117   1HB   CYS  14          1HB       CYS  14  -2.353   7.598  -3.330
  118   2HB   CYS  14          2HB       CYS  14  -3.063   8.603  -2.062
  119    H    HIS  15           H        HIS  15  -0.268   7.639  -2.478
  120    HA   HIS  15           HA       HIS  15   0.237   8.623   0.170
  121   1HB   HIS  15          1HB       HIS  15   1.236   6.241  -1.428
  122   2HB   HIS  15          2HB       HIS  15   1.698   6.534   0.235
  123    HD1  HIS  15           HD1      HIS  15   0.135   5.748   2.047
  124    HD2  HIS  15           HD2      HIS  15  -1.499   5.722  -1.813
  125    HE1  HIS  15           HE1      HIS  15  -1.802   4.082   2.099
  126    H    SER  16           H        SER  16   2.050   8.891  -2.743
  127    HA   SER  16           HA       SER  16   4.719   9.037  -1.797
  128   1HB   SER  16          1HB       SER  16   3.902   8.828  -4.172
  129   2HB   SER  16          2HB       SER  16   3.577  10.568  -4.182
  130    HG   SER  16           HG       SER  16   5.752   9.718  -4.910
  131    H    MET  17           H        MET  17   2.285  11.570  -2.275
  132    HA   MET  17           HA       MET  17   3.911  13.536  -0.697
  133   1HB   MET  17          1HB       MET  17   1.834  13.896  -2.888
  134   2HB   MET  17          2HB       MET  17   2.530  15.226  -1.943
  135   1HG   MET  17          1HG       MET  17   4.164  13.279  -3.628
  136   2HG   MET  17          2HG       MET  17   3.634  14.871  -4.164
  137   1HE   MET  17          1HE       MET  17   6.668  13.574  -4.050
  138   2HE   MET  17          2HE       MET  17   6.208  15.086  -4.881
  139   3HE   MET  17          3HE       MET  17   7.545  15.084  -3.704
  140    H    GLY  18           H        GLY  18   0.915  11.709  -0.706
  141   1HA   GLY  18          1HA       GLY  18  -0.526  11.495   1.117
  142   2HA   GLY  18          2HA       GLY  18   0.101  12.967   1.860
  143    H    VAL  19           H        VAL  19  -1.317  12.186  -1.335
  144    HA   VAL  19           HA       VAL  19  -3.142  14.533  -1.182
  145    HB   VAL  19           HB       VAL  19  -2.298  12.783  -3.526
  146   1HG1  VAL  19          1HG1      VAL  19  -4.527  13.614  -4.019
  147   2HG1  VAL  19          2HG1      VAL  19  -4.091  15.246  -3.446
  148   3HG1  VAL  19          3HG1      VAL  19  -3.362  14.576  -4.916
  149   1HG2  VAL  19          1HG2      VAL  19  -1.593  15.653  -2.778
  150   2HG2  VAL  19          2HG2      VAL  19  -0.495  14.260  -2.706
  151   3HG2  VAL  19          3HG2      VAL  19  -1.104  14.814  -4.267
  152    H    ALA  20           H        ALA  20  -5.357  14.159  -1.979
  153    HA   ALA  20           HA       ALA  20  -7.425  13.303  -1.553
  154   1HB   ALA  20          1HB       ALA  20  -6.693  11.738  -3.325
  155   2HB   ALA  20          2HB       ALA  20  -6.130  10.607  -2.078
  156   3HB   ALA  20          3HB       ALA  20  -7.853  11.008  -2.200
  157    H    GLY  21           H        GLY  21  -5.390  13.442   0.708
  158   1HA   GLY  21          1HA       GLY  21  -5.446  13.152   2.998
  159   2HA   GLY  21          2HA       GLY  21  -6.995  12.312   2.859
  160    H    ALA  22           H        ALA  22  -4.192  11.196   0.963
  161    HA   ALA  22           HA       ALA  22  -4.458   8.637   2.127
  162   1HB   ALA  22          1HB       ALA  22  -3.954   8.968  -0.189
  163   2HB   ALA  22          2HB       ALA  22  -2.377   9.688   0.195
  164   3HB   ALA  22          3HB       ALA  22  -2.685   7.973   0.542
  165    HA   PRO  23           HA       PRO  23  -1.531   8.748   5.511
  166   1HB   PRO  23          1HB       PRO  23  -1.380   6.146   6.023
  167   2HB   PRO  23          2HB       PRO  23  -2.927   7.015   6.148
  168   1HG   PRO  23          1HG       PRO  23  -1.874   5.345   3.863
  169   2HG   PRO  23          2HG       PRO  23  -3.448   5.162   4.684
  170   1HD   PRO  23          1HD       PRO  23  -3.239   6.627   2.401
  171   2HD   PRO  23          2HD       PRO  23  -4.261   7.171   3.768
  172    H    LYS  24           H        LYS  24   0.624   8.927   5.730
  173    HA   LYS  24           HA       LYS  24   2.027   9.173   3.255
  174   1HB   LYS  24          1HB       LYS  24   2.283  10.484   5.491
  175   2HB   LYS  24          2HB       LYS  24   3.398   9.168   5.921
  176   1HG   LYS  24          1HG       LYS  24   4.689   9.707   3.794
  177   2HG   LYS  24          2HG       LYS  24   3.718  11.176   3.664
  178   1HD   LYS  24          1HD       LYS  24   5.399  10.363   6.087
  179   2HD   LYS  24          2HD       LYS  24   5.981  11.425   4.804
  180   1HE   LYS  24          1HE       LYS  24   4.240  13.089   5.366
  181   2HE   LYS  24          2HE       LYS  24   3.573  12.006   6.602
  182   1HZ   LYS  24          1HZ       LYS  24   5.603  12.107   7.797
  183   2HZ   LYS  24          2HZ       LYS  24   6.311  13.074   6.661
  184   3HZ   LYS  24          3HZ       LYS  24   5.053  13.643   7.555
  185    H    SER  25           H        SER  25   3.620   7.970   2.229
  186    HA   SER  25           HA       SER  25   3.999   5.287   2.608
  187   1HB   SER  25          1HB       SER  25   5.997   7.301   1.509
  188   2HB   SER  25          2HB       SER  25   6.062   5.539   1.276
  189    HG   SER  25           HG       SER  25   4.933   6.496  -0.459
  190    H    HIS  26           H        HIS  26   6.270   7.779   3.959
  191    HA   HIS  26           HA       HIS  26   7.264   5.687   5.855
  192   1HB   HIS  26          1HB       HIS  26   9.344   6.604   5.890
  193   2HB   HIS  26          2HB       HIS  26   8.908   6.542   4.186
  194    HD1  HIS  26           HD1      HIS  26  10.194   8.844   6.778
  195    HD2  HIS  26           HD2      HIS  26   7.880   9.159   3.282
  196    HE1  HIS  26           HE1      HIS  26  10.119  11.321   6.175
  197    H    ASN  27           H        ASN  27   5.834   5.892   7.489
  198    HA   ASN  27           HA       ASN  27   6.014   8.329   9.172
  199   1HB   ASN  27          1HB       ASN  27   3.574   7.211   7.823
  200   2HB   ASN  27          2HB       ASN  27   3.418   7.384   9.570
  201   1HD2  ASN  27          1HD2      ASN  27   1.632   8.786   7.929
  202   2HD2  ASN  27          2HD2      ASN  27   2.054  10.468   8.148
  203    H    THR  28           H        THR  28   5.436   7.777  11.463
  204    HA   THR  28           HA       THR  28   5.812   4.827  12.050
  205    HB   THR  28           HB       THR  28   6.106   7.280  13.831
  206    HG1  THR  28           HG1      THR  28   8.105   5.572  12.792
  207   1HG2  THR  28          1HG2      THR  28   5.567   5.326  15.188
  208   2HG2  THR  28          2HG2      THR  28   6.763   4.340  14.320
  209   3HG2  THR  28          3HG2      THR  28   7.287   5.696  15.345
  210    H    ALA  29           H        ALA  29   3.757   7.680  12.841
  211    HA   ALA  29           HA       ALA  29   2.005   6.118  14.520
  212   1HB   ALA  29          1HB       ALA  29   2.516   8.458  14.924
  213   2HB   ALA  29          2HB       ALA  29   1.706   8.913  13.400
  214   3HB   ALA  29          3HB       ALA  29   0.769   8.189  14.732
  215    H    ASP  30           H        ASP  30   2.070   6.695  11.151
  216    HA   ASP  30           HA       ASP  30  -0.762   6.237  10.639
  217   1HB   ASP  30          1HB       ASP  30   1.082   7.816   9.598
  218   2HB   ASP  30          2HB       ASP  30   1.501   6.392   8.605
  219    H    TRP  31           H        TRP  31   2.211   4.466  10.875
  220    HA   TRP  31           HA       TRP  31   1.162   1.996   9.614
  221   1HB   TRP  31          1HB       TRP  31   3.937   2.863  10.441
  222   2HB   TRP  31          2HB       TRP  31   3.531   1.256   9.831
  223    HD1  TRP  31           HD1      TRP  31   3.762   4.911   8.626
  224    HE1  TRP  31           HE1      TRP  31   3.913   5.018   6.094
  225    HE3  TRP  31           HE3      TRP  31   3.249  -0.079   7.566
  226    HZ2  TRP  31           HZ2      TRP  31   3.461   3.270   3.889
  227    HZ3  TRP  31           HZ3      TRP  31   3.091  -0.782   5.146
  228    HH2  TRP  31           HH2      TRP  31   3.114   0.873   3.382
  229    H    GLU  32           H        GLU  32   2.271   3.276  12.844
  230    HA   GLU  32           HA       GLU  32   2.178   1.020  14.394
  231   1HB   GLU  32          1HB       GLU  32   1.418   3.885  14.844
  232   2HB   GLU  32          2HB       GLU  32   0.969   2.708  16.085
  233   1HG   GLU  32          1HG       GLU  32   3.276   1.974  16.331
  234   2HG   GLU  32          2HG       GLU  32   3.805   3.065  15.043
  235    HA   PRO  33           HA       PRO  33  -2.548   0.803  14.928
  236   1HB   PRO  33          1HB       PRO  33  -4.297   2.411  13.609
  237   2HB   PRO  33          2HB       PRO  33  -3.363   2.992  15.014
  238   1HG   PRO  33          1HG       PRO  33  -2.616   3.319  12.081
  239   2HG   PRO  33          2HG       PRO  33  -2.791   4.614  13.304
  240   1HD   PRO  33          1HD       PRO  33  -0.392   3.547  12.767
  241   2HD   PRO  33          2HD       PRO  33  -0.853   3.900  14.462
  242    H    ARG  34           H        ARG  34  -0.788   0.265  12.292
  243    HA   ARG  34           HA       ARG  34  -2.895  -1.303  10.863
  244   1HB   ARG  34          1HB       ARG  34  -0.289  -0.157   9.784
  245   2HB   ARG  34          2HB       ARG  34  -1.524  -1.009   8.865
  246   1HG   ARG  34          1HG       ARG  34  -2.050   1.629  10.317
  247   2HG   ARG  34          2HG       ARG  34  -1.502   1.526   8.670
  248   1HD   ARG  34          1HD       ARG  34  -3.551   0.962   7.860
  249   2HD   ARG  34          2HD       ARG  34  -3.801  -0.252   9.093
  250    HE   ARG  34           HE       ARG  34  -4.989   1.200  10.396
  251   1HH1  ARG  34          2HH1      ARG  34  -3.052   3.269   8.381
  252   2HH1  ARG  34          1HH1      ARG  34  -6.151   4.387   9.519
  253   1HH2  ARG  34          1HH2      ARG  34  -6.520   2.918  10.378
  254   2HH2  ARG  34          2HH2      ARG  34  -4.192   4.586   8.330
  255    H    LEU  35           H        LEU  35   0.497  -1.204  11.944
  256    HA   LEU  35           HA       LEU  35   1.095  -4.001  11.942
  257   1HB   LEU  35          1HB       LEU  35   2.144  -1.441  13.096
  258   2HB   LEU  35          2HB       LEU  35   2.546  -2.844  14.041
  259    HG   LEU  35           HG       LEU  35   3.009  -3.300  11.164
  260   1HD1  LEU  35          1HD1      LEU  35   3.542  -0.907  11.219
  261   2HD1  LEU  35          2HD1      LEU  35   4.626  -1.164  12.606
  262   3HD1  LEU  35          3HD1      LEU  35   5.007  -1.875  11.024
  263   1HD2  LEU  35          1HD2      LEU  35   4.839  -3.525  13.573
  264   2HD2  LEU  35          2HD2      LEU  35   3.694  -4.784  13.050
  265   3HD2  LEU  35          3HD2      LEU  35   5.025  -4.315  11.992
  266    H    ALA  36           H        ALA  36  -1.529  -2.884  13.460
  267    HA   ALA  36           HA       ALA  36  -1.141  -4.200  16.064
  268   1HB   ALA  36          1HB       ALA  36  -2.260  -2.009  16.018
  269   2HB   ALA  36          2HB       ALA  36  -3.487  -2.643  14.899
  270   3HB   ALA  36          3HB       ALA  36  -3.374  -3.285  16.554
  271    H    LYS  37           H        LYS  37  -2.606  -4.579  12.875
  272    HA   LYS  37           HA       LYS  37  -4.022  -7.058  13.677
  273   1HB   LYS  37          1HB       LYS  37  -3.861  -5.545  11.056
  274   2HB   LYS  37          2HB       LYS  37  -4.763  -7.048  11.272
  275   1HG   LYS  37          1HG       LYS  37  -5.411  -4.840  13.214
  276   2HG   LYS  37          2HG       LYS  37  -5.775  -4.521  11.525
  277   1HD   LYS  37          1HD       LYS  37  -7.741  -5.400  12.491
  278   2HD   LYS  37          2HD       LYS  37  -7.105  -6.626  11.386
  279   1HE   LYS  37          1HE       LYS  37  -6.228  -7.937  13.273
  280   2HE   LYS  37          2HE       LYS  37  -6.612  -6.635  14.410
  281   1HZ   LYS  37          1HZ       LYS  37  -8.944  -6.976  13.937
  282   2HZ   LYS  37          2HZ       LYS  37  -8.605  -8.175  12.867
  283   3HZ   LYS  37          3HZ       LYS  37  -8.271  -8.376  14.463
  284    H    GLY  38           H        GLY  38  -1.642  -6.001  11.225
  285   1HA   GLY  38          1HA       GLY  38   0.493  -7.613  11.755
  286   2HA   GLY  38          2HA       GLY  38  -0.557  -8.698  10.827
  287    H    VAL  39           H        VAL  39   0.017  -8.748   8.736
  288    HA   VAL  39           HA       VAL  39   0.616  -6.213   7.273
  289    HB   VAL  39           HB       VAL  39   2.101  -8.379   6.084
  290   1HG1  VAL  39          1HG1      VAL  39   2.526  -5.952   5.923
  291   2HG1  VAL  39          2HG1      VAL  39   3.025  -5.959   7.637
  292   3HG1  VAL  39          3HG1      VAL  39   3.976  -6.853   6.430
  293   1HG2  VAL  39          1HG2      VAL  39   2.861  -8.027   9.017
  294   2HG2  VAL  39          2HG2      VAL  39   2.198  -9.513   8.288
  295   3HG2  VAL  39          3HG2      VAL  39   3.772  -8.898   7.774
  296    H    ASP  40           H        ASP  40   0.069  -9.679   6.643
  297    HA   ASP  40           HA       ASP  40  -0.967  -9.227   4.094
  298   1HB   ASP  40          1HB       ASP  40  -1.417 -11.690   5.781
  299   2HB   ASP  40          2HB       ASP  40  -1.161 -11.574   4.030
  300    H    ASN  41           H        ASN  41  -2.519  -7.708   5.897
  301    HA   ASN  41           HA       ASN  41  -5.318  -8.755   5.673
  302   1HB   ASN  41          1HB       ASN  41  -4.818  -6.427   7.452
  303   2HB   ASN  41          2HB       ASN  41  -5.745  -7.871   7.765
  304   1HD2  ASN  41          1HD2      ASN  41  -3.042  -6.148   8.706
  305   2HD2  ASN  41          2HD2      ASN  41  -2.296  -7.469   9.586
  306    H    LEU  42           H        LEU  42  -3.325  -5.840   5.707
  307    HA   LEU  42           HA       LEU  42  -5.263  -4.147   4.449
  308   1HB   LEU  42          1HB       LEU  42  -2.295  -3.980   5.014
  309   2HB   LEU  42          2HB       LEU  42  -3.256  -2.615   4.463
  310    HG   LEU  42           HG       LEU  42  -4.363  -4.086   6.850
  311   1HD1  LEU  42          1HD1      LEU  42  -1.966  -4.113   7.379
  312   2HD1  LEU  42          2HD1      LEU  42  -1.902  -2.358   7.099
  313   3HD1  LEU  42          3HD1      LEU  42  -2.873  -3.016   8.439
  314   1HD2  LEU  42          1HD2      LEU  42  -3.955  -1.121   6.458
  315   2HD2  LEU  42          2HD2      LEU  42  -5.368  -2.003   5.831
  316   3HD2  LEU  42          3HD2      LEU  42  -5.046  -1.950   7.574
  317    H    VAL  43           H        VAL  43  -2.620  -6.185   3.260
  318    HA   VAL  43           HA       VAL  43  -2.502  -5.462   0.596
  319    HB   VAL  43           HB       VAL  43  -1.181  -7.108   2.063
  320   1HG1  VAL  43          1HG1      VAL  43  -3.142  -8.628   2.473
  321   2HG1  VAL  43          2HG1      VAL  43  -3.055  -9.122   0.764
  322   3HG1  VAL  43          3HG1      VAL  43  -1.696  -9.445   1.840
  323   1HG2  VAL  43          1HG2      VAL  43  -1.697  -7.915  -0.828
  324   2HG2  VAL  43          2HG2      VAL  43  -0.709  -6.516  -0.366
  325   3HG2  VAL  43          3HG2      VAL  43  -0.211  -8.138   0.110
  326    H    LYS  44           H        LYS  44  -5.152  -6.919   2.283
  327    HA   LYS  44           HA       LYS  44  -6.452  -7.734  -0.244
  328   1HB   LYS  44          1HB       LYS  44  -7.329  -8.131   2.555
  329   2HB   LYS  44          2HB       LYS  44  -8.261  -8.626   1.141
  330   1HG   LYS  44          1HG       LYS  44  -6.632 -10.155   0.339
  331   2HG   LYS  44          2HG       LYS  44  -5.352  -9.489   1.333
  332   1HD   LYS  44          1HD       LYS  44  -7.621 -11.260   2.262
  333   2HD   LYS  44          2HD       LYS  44  -5.854 -11.550   2.230
  334   1HE   LYS  44          1HE       LYS  44  -5.744  -9.395   3.666
  335   2HE   LYS  44          2HE       LYS  44  -7.445  -9.722   4.051
  336   1HZ   LYS  44          1HZ       LYS  44  -6.552 -12.058   4.656
  337   2HZ   LYS  44          2HZ       LYS  44  -5.064 -11.303   4.685
  338   3HZ   LYS  44          3HZ       LYS  44  -6.234 -10.826   5.708
  339    H    SER  45           H        SER  45  -6.890  -5.251   2.332
  340    HA   SER  45           HA       SER  45  -9.317  -4.164   1.364
  341   1HB   SER  45          1HB       SER  45  -7.217  -2.690   2.847
  342   2HB   SER  45          2HB       SER  45  -8.947  -2.370   2.802
  343    HG   SER  45           HG       SER  45  -8.473  -3.542   4.691
  344    H    VAL  46           H        VAL  46  -5.853  -3.701   0.687
  345    HA   VAL  46           HA       VAL  46  -6.250  -1.607  -1.240
  346    HB   VAL  46           HB       VAL  46  -4.114  -2.135   0.073
  347   1HG1  VAL  46          1HG1      VAL  46  -4.227  -4.521  -0.414
  348   2HG1  VAL  46          2HG1      VAL  46  -3.742  -4.246  -2.087
  349   3HG1  VAL  46          3HG1      VAL  46  -2.627  -3.820  -0.782
  350   1HG2  VAL  46          1HG2      VAL  46  -3.713  -2.085  -2.923
  351   2HG2  VAL  46          2HG2      VAL  46  -3.954  -0.627  -1.914
  352   3HG2  VAL  46          3HG2      VAL  46  -2.540  -1.690  -1.650
  353    H    LYS  47           H        LYS  47  -6.233  -5.168  -1.563
  354    HA   LYS  47           HA       LYS  47  -6.156  -4.946  -4.424
  355   1HB   LYS  47          1HB       LYS  47  -5.989  -7.144  -4.563
  356   2HB   LYS  47          2HB       LYS  47  -5.542  -6.867  -2.882
  357   1HG   LYS  47          1HG       LYS  47  -8.111  -7.355  -2.433
  358   2HG   LYS  47          2HG       LYS  47  -8.095  -8.074  -4.039
  359   1HD   LYS  47          1HD       LYS  47  -5.831  -8.785  -2.207
  360   2HD   LYS  47          2HD       LYS  47  -7.437  -9.247  -1.647
  361   1HE   LYS  47          1HE       LYS  47  -7.641 -10.965  -3.096
  362   2HE   LYS  47          2HE       LYS  47  -6.961 -10.070  -4.451
  363   1HZ   LYS  47          1HZ       LYS  47  -4.726 -10.596  -3.660
  364   2HZ   LYS  47          2HZ       LYS  47  -5.272 -11.296  -2.317
  365   3HZ   LYS  47          3HZ       LYS  47  -5.578 -11.972  -3.764
  366    H    THR  48           H        THR  48  -8.728  -5.091  -2.068
  367    HA   THR  48           HA       THR  48 -10.929  -5.169  -3.999
  368    HB   THR  48           HB       THR  48 -11.179  -6.031  -1.741
  369    HG1  THR  48           HG1      THR  48 -12.888  -4.175  -1.220
  370   1HG2  THR  48          1HG2      THR  48  -9.824  -4.323  -0.628
  371   2HG2  THR  48          2HG2      THR  48 -11.126  -3.137  -0.762
  372   3HG2  THR  48          3HG2      THR  48 -11.355  -4.618   0.203
  373    H    GLY  49           H        GLY  49  -9.144  -2.497  -2.388
  374   1HA   GLY  49          1HA       GLY  49  -9.209  -0.234  -2.931
  375   2HA   GLY  49          2HA       GLY  49 -10.599  -0.451  -3.993
  376    H    LEU  50           H        LEU  50  -9.689   0.754  -1.090
  377    HA   LEU  50           HA       LEU  50 -12.307   0.663   0.220
  378   1HB   LEU  50          1HB       LEU  50  -9.926   1.057   1.232
  379   2HB   LEU  50          2HB       LEU  50 -10.131   2.693   0.680
  380    HG   LEU  50           HG       LEU  50 -12.530   2.272   2.034
  381   1HD1  LEU  50          1HD1      LEU  50 -11.782  -0.019   2.677
  382   2HD1  LEU  50          2HD1      LEU  50 -10.381   0.691   3.509
  383   3HD1  LEU  50          3HD1      LEU  50 -12.023   1.035   4.087
  384   1HD2  LEU  50          1HD2      LEU  50  -9.892   3.116   3.314
  385   2HD2  LEU  50          2HD2      LEU  50 -10.950   4.184   2.371
  386   3HD2  LEU  50          3HD2      LEU  50 -11.517   3.504   3.909
  387    H    ASN  51           H        ASN  51 -12.393   3.709   0.603
  388    HA   ASN  51           HA       ASN  51 -14.221   4.114  -1.603
  389   1HB   ASN  51          1HB       ASN  51 -13.384   6.321   0.314
  390   2HB   ASN  51          2HB       ASN  51 -14.901   6.096  -0.539
  391   1HD2  ASN  51          1HD2      ASN  51 -12.902   5.242   2.218
  392   2HD2  ASN  51          2HD2      ASN  51 -14.054   4.172   2.972
  393    H    ALA  52           H        ALA  52 -11.574   6.242  -0.578
  394    HA   ALA  52           HA       ALA  52 -11.192   7.410  -3.245
  395   1HB   ALA  52          1HB       ALA  52 -11.036   8.810  -1.286
  396   2HB   ALA  52          2HB       ALA  52  -9.856   7.720  -0.543
  397   3HB   ALA  52          3HB       ALA  52  -9.405   8.675  -1.984
  398    H    MET  53           H        MET  53 -10.082   4.602  -1.634
  399    HA   MET  53           HA       MET  53  -7.519   4.398  -3.039
  400   1HB   MET  53          1HB       MET  53  -9.169   2.735  -1.193
  401   2HB   MET  53          2HB       MET  53  -7.991   1.886  -2.188
  402   1HG   MET  53          1HG       MET  53  -6.987   4.343  -0.892
  403   2HG   MET  53          2HG       MET  53  -7.386   3.052   0.232
  404   1HE   MET  53          1HE       MET  53  -6.024   1.317   0.895
  405   2HE   MET  53          2HE       MET  53  -6.659   0.417  -0.476
  406   3HE   MET  53          3HE       MET  53  -4.916   0.368  -0.104
  407    HA   PRO  54           HA       PRO  54  -9.566   2.829  -6.703
  408   1HB   PRO  54          1HB       PRO  54  -7.394   2.057  -8.200
  409   2HB   PRO  54          2HB       PRO  54  -7.843   3.766  -7.927
  410   1HG   PRO  54          1HG       PRO  54  -5.797   2.134  -6.410
  411   2HG   PRO  54          2HG       PRO  54  -5.606   3.768  -7.109
  412   1HD   PRO  54          1HD       PRO  54  -6.188   3.326  -4.481
  413   2HD   PRO  54          2HD       PRO  54  -6.861   4.741  -5.347
  414    HA   PRO  55           HA       PRO  55  -9.790  -1.531  -5.618
  415   1HB   PRO  55          1HB       PRO  55 -10.882  -2.616  -7.871
  416   2HB   PRO  55          2HB       PRO  55 -11.805  -1.565  -6.760
  417   1HG   PRO  55          1HG       PRO  55 -10.408  -0.746  -9.321
  418   2HG   PRO  55          2HG       PRO  55 -12.092  -0.389  -8.831
  419   1HD   PRO  55          1HD       PRO  55 -10.094   1.405  -8.462
  420   2HD   PRO  55          2HD       PRO  55 -11.367   1.208  -7.219
  421    H    GLY  56           H        GLY  56  -8.148  -3.103  -5.512
  422   1HA   GLY  56          1HA       GLY  56  -6.342  -4.312  -6.354
  423   2HA   GLY  56          2HA       GLY  56  -6.720  -3.680  -7.912
  424    H    GLY  57           H        GLY  57  -6.244  -1.498  -5.222
  425   1HA   GLY  57          1HA       GLY  57  -4.838   0.306  -4.962
  426   2HA   GLY  57          2HA       GLY  57  -3.651  -0.991  -4.910
  427    H    MET  58           H        MET  58  -5.358   0.018  -7.833
  428    HA   MET  58           HA       MET  58  -4.682   0.762  -9.824
  429   1HB   MET  58          1HB       MET  58  -3.843   2.689  -8.089
  430   2HB   MET  58          2HB       MET  58  -2.304   2.313  -8.851
  431   1HG   MET  58          1HG       MET  58  -4.914   3.017 -10.263
  432   2HG   MET  58          2HG       MET  58  -3.577   4.138  -9.996
  433   1HE   MET  58          1HE       MET  58  -5.248   3.090 -12.766
  434   2HE   MET  58          2HE       MET  58  -4.259   4.571 -12.634
  435   3HE   MET  58          3HE       MET  58  -3.910   3.370 -13.905
  436    H    CYS  59           H        CYS  59  -3.820  -1.751  -9.049
  437    HA   CYS  59           HA       CYS  59  -1.354  -2.152 -10.672
  438   1HB   CYS  59          1HB       CYS  59  -1.560  -2.501  -7.993
  439   2HB   CYS  59          2HB       CYS  59  -2.113  -4.091  -8.504
  440    H    THR  60           H        THR  60  -1.398  -4.007 -12.045
  441    HA   THR  60           HA       THR  60  -4.123  -5.206 -12.524
  442    HB   THR  60           HB       THR  60  -1.999  -4.555 -14.602
  443    HG1  THR  60           HG1      THR  60  -3.811  -3.182 -15.282
  444   1HG2  THR  60          1HG2      THR  60  -3.300  -6.581 -15.218
  445   2HG2  THR  60          2HG2      THR  60  -4.810  -5.709 -14.875
  446   3HG2  THR  60          3HG2      THR  60  -3.760  -5.202 -16.215
  447    H    ASP  61           H        ASP  61  -0.889  -6.029 -13.819
  448    HA   ASP  61           HA       ASP  61  -1.414  -8.824 -13.516
  449   1HB   ASP  61          1HB       ASP  61   1.147  -7.381 -14.316
  450   2HB   ASP  61          2HB       ASP  61   0.626  -9.007 -14.778
  451    H    CYS  62           H        CYS  62  -1.559  -7.905 -10.929
  452    HA   CYS  62           HA       CYS  62   1.043  -8.463  -9.570
  453   1HB   CYS  62          1HB       CYS  62  -1.097  -6.577  -8.557
  454   2HB   CYS  62          2HB       CYS  62   0.592  -6.672  -8.119
  455    H    THR  63           H        THR  63   0.992  -9.808  -7.666
  456    HA   THR  63           HA       THR  63  -1.711 -11.094  -7.266
  457    HB   THR  63           HB       THR  63   1.047 -12.339  -7.050
  458    HG1  THR  63           HG1      THR  63   0.380 -13.333  -8.965
  459   1HG2  THR  63          1HG2      THR  63  -0.724 -13.500  -5.636
  460   2HG2  THR  63          2HG2      THR  63  -1.771 -13.545  -7.064
  461   3HG2  THR  63          3HG2      THR  63  -0.252 -14.458  -7.042
  462    H    ASP  64           H        ASP  64   0.802 -11.972  -5.119
  463    HA   ASP  64           HA       ASP  64  -0.080 -10.109  -3.008
  464   1HB   ASP  64          1HB       ASP  64  -0.646 -12.983  -3.330
  465   2HB   ASP  64          2HB       ASP  64   0.053 -12.559  -1.787
  466    H    GLU  65           H        GLU  65   2.320 -12.757  -3.877
  467    HA   GLU  65           HA       GLU  65   4.282 -12.179  -2.080
  468   1HB   GLU  65          1HB       GLU  65   4.703 -12.773  -5.047
  469   2HB   GLU  65          2HB       GLU  65   5.919 -12.862  -3.770
  470   1HG   GLU  65          1HG       GLU  65   4.179 -14.461  -2.569
  471   2HG   GLU  65          2HG       GLU  65   3.534 -14.673  -4.210
  472    H    ASP  66           H        ASP  66   4.120 -10.351  -5.273
  473    HA   ASP  66           HA       ASP  66   6.216  -8.560  -4.249
  474   1HB   ASP  66          1HB       ASP  66   4.606  -8.787  -6.816
  475   2HB   ASP  66          2HB       ASP  66   5.606  -7.372  -6.486
  476    H    TYR  67           H        TYR  67   2.702  -8.618  -4.313
  477    HA   TYR  67           HA       TYR  67   2.273  -5.864  -3.783
  478   1HB   TYR  67          1HB       TYR  67   0.764  -8.113  -4.396
  479   2HB   TYR  67          2HB       TYR  67   0.388  -7.906  -2.692
  480    HD1  TYR  67           HD1      TYR  67   0.931  -5.289  -5.400
  481    HD2  TYR  67           HD2      TYR  67  -1.931  -7.497  -3.067
  482    HE1  TYR  67           HE1      TYR  67  -0.802  -3.602  -5.928
  483    HE2  TYR  67           HE2      TYR  67  -3.685  -5.889  -3.720
  484    HH   TYR  67           HH       TYR  67  -4.088  -3.807  -4.546
  485    H    LYS  68           H        LYS  68   2.848  -8.562  -1.580
  486    HA   LYS  68           HA       LYS  68   2.395  -7.118   0.923
  487   1HB   LYS  68          1HB       LYS  68   3.842  -9.718   0.212
  488   2HB   LYS  68          2HB       LYS  68   4.020  -8.945   1.776
  489   1HG   LYS  68          1HG       LYS  68   2.443 -10.343   2.375
  490   2HG   LYS  68          2HG       LYS  68   1.396  -9.009   1.908
  491   1HD   LYS  68          1HD       LYS  68   0.847 -10.075  -0.197
  492   2HD   LYS  68          2HD       LYS  68   2.168 -11.240  -0.041
  493   1HE   LYS  68          1HE       LYS  68  -0.206 -11.136   1.863
  494   2HE   LYS  68          2HE       LYS  68  -0.161 -12.143   0.417
  495   1HZ   LYS  68          1HZ       LYS  68   1.914 -13.136   1.361
  496   2HZ   LYS  68          2HZ       LYS  68   1.584 -12.314   2.764
  497   3HZ   LYS  68          3HZ       LYS  68   0.545 -13.433   2.244
  498    H    ALA  69           H        ALA  69   5.310  -8.208  -0.892
  499    HA   ALA  69           HA       ALA  69   7.235  -6.869   0.621
  500   1HB   ALA  69          1HB       ALA  69   7.807  -8.521  -1.003
  501   2HB   ALA  69          2HB       ALA  69   7.136  -7.550  -2.319
  502   3HB   ALA  69          3HB       ALA  69   8.608  -7.005  -1.465
  503    H    ALA  70           H        ALA  70   5.118  -5.503  -1.880
  504    HA   ALA  70           HA       ALA  70   6.410  -2.913  -2.063
  505   1HB   ALA  70          1HB       ALA  70   4.847  -3.776  -3.761
  506   2HB   ALA  70          2HB       ALA  70   3.505  -3.629  -2.606
  507   3HB   ALA  70          3HB       ALA  70   4.370  -2.183  -3.148
  508    H    ILE  71           H        ILE  71   3.698  -4.089  -0.077
  509    HA   ILE  71           HA       ILE  71   3.324  -1.676   1.490
  510    HB   ILE  71           HB       ILE  71   2.489  -4.545   1.585
  511   1HG1  ILE  71          1HG1      ILE  71   0.409  -2.932   2.477
  512   2HG1  ILE  71          2HG1      ILE  71   1.198  -1.991   1.203
  513   1HG2  ILE  71          1HG2      ILE  71   3.317  -4.414   3.854
  514   2HG2  ILE  71          2HG2      ILE  71   2.440  -2.884   4.095
  515   3HG2  ILE  71          3HG2      ILE  71   1.562  -4.411   3.827
  516   1HD1  ILE  71          1HD1      ILE  71   0.927  -3.800  -0.372
  517   2HD1  ILE  71          2HD1      ILE  71   0.299  -4.870   0.915
  518   3HD1  ILE  71          3HD1      ILE  71  -0.627  -3.447   0.404
  519    H    GLU  72           H        GLU  72   5.331  -4.583   2.024
  520    HA   GLU  72           HA       GLU  72   6.480  -3.651   4.467
  521   1HB   GLU  72          1HB       GLU  72   7.589  -5.702   2.517
  522   2HB   GLU  72          2HB       GLU  72   8.187  -5.361   4.140
  523   1HG   GLU  72          1HG       GLU  72   5.645  -5.819   4.842
  524   2HG   GLU  72          2HG       GLU  72   5.651  -6.772   3.354
  525    H    PHE  73           H        PHE  73   7.561  -3.135   1.099
  526    HA   PHE  73           HA       PHE  73  10.098  -2.079   1.611
  527   1HB   PHE  73          1HB       PHE  73   9.125  -2.365  -0.627
  528   2HB   PHE  73          2HB       PHE  73   7.999  -1.047  -0.337
  529    HD1  PHE  73           HD1      PHE  73  11.318  -1.921  -1.483
  530    HD2  PHE  73           HD2      PHE  73   8.938   1.332   0.064
  531    HE1  PHE  73           HE1      PHE  73  13.073  -0.286  -2.144
  532    HE2  PHE  73           HE2      PHE  73  10.754   2.915  -0.476
  533    HZ   PHE  73           HZ       PHE  73  12.816   2.105  -1.593
  534    H    MET  74           H        MET  74   6.971  -0.358   1.810
  535    HA   MET  74           HA       MET  74   8.105   2.162   2.606
  536   1HB   MET  74          1HB       MET  74   5.337   0.956   2.735
  537   2HB   MET  74          2HB       MET  74   5.687   2.604   3.309
  538   1HG   MET  74          1HG       MET  74   6.549   3.186   1.068
  539   2HG   MET  74          2HG       MET  74   6.207   1.565   0.465
  540   1HE   MET  74          1HE       MET  74   3.839   0.805  -0.459
  541   2HE   MET  74          2HE       MET  74   3.475   0.698   1.271
  542   3HE   MET  74          3HE       MET  74   2.337   1.515   0.187
  543    H    SER  75           H        SER  75   6.661  -0.533   4.484
  544    HA   SER  75           HA       SER  75   8.430   0.124   6.647
  545   1HB   SER  75          1HB       SER  75   6.180   1.665   6.796
  546   2HB   SER  75          2HB       SER  75   5.703   0.302   7.824
  547    HG   SER  75           HG       SER  75   7.047   2.210   8.672
  548    H    LYS  76           H        LYS  76   5.231  -1.469   6.598
  549    HA   LYS  76           HA       LYS  76   5.409  -4.001   6.254
  550   1HB   LYS  76          1HB       LYS  76   5.984  -5.156   8.218
  551   2HB   LYS  76          2HB       LYS  76   7.392  -4.430   7.509
  552   1HG   LYS  76          1HG       LYS  76   6.847  -2.485   9.347
  553   2HG   LYS  76          2HG       LYS  76   5.914  -3.784  10.067
  554   1HD   LYS  76          1HD       LYS  76   7.975  -3.839  11.167
  555   2HD   LYS  76          2HD       LYS  76   8.008  -5.219  10.049
  556   1HE   LYS  76          1HE       LYS  76   9.412  -3.955   8.469
  557   2HE   LYS  76          2HE       LYS  76   9.209  -2.468   9.411
  558   1HZ   LYS  76          1HZ       LYS  76  10.418  -3.497  11.198
  559   2HZ   LYS  76          2HZ       LYS  76  10.613  -4.885  10.327
  560   3HZ   LYS  76          3HZ       LYS  76  11.317  -3.485   9.820
  561    H    ALA  77           H        ALA  77   3.335  -2.502   6.101
  562    HA   ALA  77           HA       ALA  77   1.417  -4.038   7.459
  563   1HB   ALA  77          1HB       ALA  77   1.843  -2.727   9.450
  564   2HB   ALA  77          2HB       ALA  77   1.610  -1.222   8.556
  565   3HB   ALA  77          3HB       ALA  77   0.262  -2.366   8.801
  566    H    LYS  78           H        LYS  78   1.228  -0.604   6.591
  567    HA   LYS  78           HA       LYS  78  -1.110  -1.196   4.890
  568   1HB   LYS  78          1HB       LYS  78  -1.760   1.104   5.265
  569   2HB   LYS  78          2HB       LYS  78  -1.466   0.285   6.794
  570   1HG   LYS  78          1HG       LYS  78   0.435   1.605   7.249
  571   2HG   LYS  78          2HG       LYS  78   0.821   1.811   5.540
  572   1HD   LYS  78          1HD       LYS  78  -1.149   3.324   5.256
  573   2HD   LYS  78          2HD       LYS  78  -1.412   3.225   7.004
  574   1HE   LYS  78          1HE       LYS  78  -0.012   5.037   7.068
  575   2HE   LYS  78          2HE       LYS  78   1.177   3.801   7.104
  576   1HZ   LYS  78          1HZ       LYS  78   1.324   3.989   4.638
  577   2HZ   LYS  78          2HZ       LYS  78   0.328   5.299   4.667
  578   3HZ   LYS  78          3HZ       LYS  78   1.766   5.383   5.391
  579    HHA  HEC  90           HHA      HEC  90  -5.898   4.185   3.575
  580    HHB  HEC  90           HHB      HEC  90  -1.486   0.067   1.248
  581    HHC  HEC  90           HHC      HEC  90  -2.149   2.839  -4.551
  582    HHD  HEC  90           HHD      HEC  90  -5.617   7.582  -1.863
  583   1HMA  HEC  90          1HMA      HEC  90  -4.063  -0.954   3.025
  584   2HMA  HEC  90          2HMA      HEC  90  -2.299  -0.744   3.083
  585   3HMA  HEC  90          3HMA      HEC  90  -3.291  -0.365   4.508
  586   1HAA  HEC  90          1HAA      HEC  90  -5.120   2.930   5.213
  587   2HAA  HEC  90          2HAA      HEC  90  -4.325   1.411   5.528
  588   1HBA  HEC  90          1HBA      HEC  90  -7.074   1.843   5.401
  589   2HBA  HEC  90          2HBA      HEC  90  -6.269   0.271   5.402
  590   1HMB  HEC  90          1HMB      HEC  90  -0.407  -1.453  -0.954
  591   2HMB  HEC  90          2HMB      HEC  90   0.906  -0.470  -1.613
  592   3HMB  HEC  90          3HMB      HEC  90   0.401  -0.221   0.036
  593    HAB  HEC  90           HAB      HEC  90  -0.797   1.233  -4.773
  594   1HBB  HEC  90          1HBB      HEC  90  -1.560  -1.116  -4.246
  595   2HBB  HEC  90          2HBB      HEC  90  -0.093  -0.969  -5.226
  596   3HBB  HEC  90          3HBB      HEC  90   0.023  -1.397  -3.512
  597   1HMC  HEC  90          1HMC      HEC  90  -3.846   5.165  -6.564
  598   2HMC  HEC  90          2HMC      HEC  90  -2.439   6.085  -5.983
  599   3HMC  HEC  90          3HMC      HEC  90  -2.406   4.332  -6.035
  600    HAC  HEC  90           HAC      HEC  90  -5.995   7.508  -4.084
  601   1HBC  HEC  90          1HBC      HEC  90  -5.697   6.459  -6.305
  602   2HBC  HEC  90          2HBC      HEC  90  -5.806   8.226  -6.295
  603   3HBC  HEC  90          3HBC      HEC  90  -4.229   7.471  -6.505
  604   1HMD  HEC  90          1HMD      HEC  90  -7.832   8.266   0.097
  605   2HMD  HEC  90          2HMD      HEC  90  -6.911   8.951   1.441
  606   3HMD  HEC  90          3HMD      HEC  90  -6.244   8.990  -0.182
  607   1HAD  HEC  90          1HAD      HEC  90  -7.571   7.604   3.061
  608   2HAD  HEC  90          2HAD      HEC  90  -6.406   6.675   3.968
  609   1HBD  HEC  90          1HBD      HEC  90  -8.041   4.653   2.991
  610   2HBD  HEC  90          2HBD      HEC  90  -9.172   5.991   3.154
  Start of MODEL   19
    1   1H    ALA  -3          1H        ALA  -3  -1.124  -3.508 -16.619
    2   2H    ALA  -3          2H        ALA  -3  -1.213  -1.882 -16.919
    3   3H    ALA  -3          3H        ALA  -3  -0.071  -2.839 -17.666
    4    HA   ALA  -3           HA       ALA  -3   0.898  -1.510 -15.885
    5   1HB   ALA  -3          1HB       ALA  -3  -1.104  -1.597 -14.395
    6   2HB   ALA  -3          2HB       ALA  -3  -0.828  -3.334 -14.148
    7   3HB   ALA  -3          3HB       ALA  -3   0.357  -2.146 -13.565
    8    H    ASP  -2           H        ASP  -2   2.275  -3.006 -13.977
    9    HA   ASP  -2           HA       ASP  -2   2.869  -5.643 -14.935
   10   1HB   ASP  -2          1HB       ASP  -2   4.074  -4.337 -16.668
   11   2HB   ASP  -2          2HB       ASP  -2   4.953  -3.460 -15.398
   12    H    LEU  -1           H        LEU  -1   3.728  -6.793 -13.361
   13    HA   LEU  -1           HA       LEU  -1   4.546  -5.546 -10.766
   14   1HB   LEU  -1          1HB       LEU  -1   2.291  -6.459 -10.602
   15   2HB   LEU  -1          2HB       LEU  -1   2.829  -7.981 -11.301
   16    HG   LEU  -1           HG       LEU  -1   4.547  -7.513  -9.057
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.049  -5.917  -8.082
   18   2HD1  LEU  -1          2HD1      LEU  -1   1.642  -6.904  -8.428
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.821  -7.435  -7.211
   20   1HD2  LEU  -1          1HD2      LEU  -1   2.163  -9.361  -9.478
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.854  -9.692  -9.888
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.375  -9.536  -8.193
   23    H    GLN   1           H        GLN   1   6.521  -5.629 -12.047
   24    HA   GLN   1           HA       GLN   1   7.962  -8.249 -11.778
   25   1HB   GLN   1          1HB       GLN   1   8.379  -5.773 -13.485
   26   2HB   GLN   1          2HB       GLN   1   9.797  -6.699 -12.977
   27   1HG   GLN   1          1HG       GLN   1   8.781  -8.772 -13.897
   28   2HG   GLN   1          2HG       GLN   1   7.442  -7.813 -14.548
   29   1HE2  GLN   1          1HE2      GLN   1   8.008  -6.137 -16.235
   30   2HE2  GLN   1          2HE2      GLN   1   9.469  -6.427 -17.185
   31    H    ASP   2           H        ASP   2   7.728  -5.065 -10.399
   32    HA   ASP   2           HA       ASP   2   9.569  -5.888  -8.271
   33   1HB   ASP   2          1HB       ASP   2  11.021  -4.833  -9.975
   34   2HB   ASP   2          2HB       ASP   2  10.040  -3.358  -9.893
   35    H    ALA   3           H        ALA   3   8.137  -5.745  -6.707
   36    HA   ALA   3           HA       ALA   3   6.235  -4.123  -5.796
   37   1HB   ALA   3          1HB       ALA   3   7.350  -5.830  -4.564
   38   2HB   ALA   3          2HB       ALA   3   8.824  -4.849  -4.381
   39   3HB   ALA   3          3HB       ALA   3   7.322  -4.344  -3.589
   40    H    GLU   4           H        GLU   4   9.675  -2.929  -5.993
   41    HA   GLU   4           HA       GLU   4   9.108  -0.342  -4.849
   42   1HB   GLU   4          1HB       GLU   4  11.363  -1.074  -4.913
   43   2HB   GLU   4          2HB       GLU   4  11.363  -1.248  -6.671
   44   1HG   GLU   4          1HG       GLU   4  11.224   1.124  -7.015
   45   2HG   GLU   4          2HG       GLU   4  10.714   1.425  -5.353
   46    H    ALA   5           H        ALA   5   9.081  -1.659  -8.160
   47    HA   ALA   5           HA       ALA   5   8.622   0.947  -9.415
   48   1HB   ALA   5          1HB       ALA   5   9.726  -0.910 -10.615
   49   2HB   ALA   5          2HB       ALA   5   8.211  -1.845 -10.550
   50   3HB   ALA   5          3HB       ALA   5   8.274  -0.321 -11.454
   51    H    ILE   6           H        ILE   6   6.626  -1.755  -8.257
   52    HA   ILE   6           HA       ILE   6   4.117  -0.770  -9.264
   53    HB   ILE   6           HB       ILE   6   4.972  -2.652  -7.069
   54   1HG1  ILE   6          1HG1      ILE   6   4.937  -3.129  -9.633
   55   2HG1  ILE   6          2HG1      ILE   6   4.331  -4.316  -8.503
   56   1HG2  ILE   6          1HG2      ILE   6   3.033  -1.728  -6.029
   57   2HG2  ILE   6          2HG2      ILE   6   2.105  -1.773  -7.540
   58   3HG2  ILE   6          3HG2      ILE   6   2.575  -3.281  -6.717
   59   1HD1  ILE   6          1HD1      ILE   6   1.987  -3.624  -8.986
   60   2HD1  ILE   6          2HD1      ILE   6   2.585  -2.333 -10.056
   61   3HD1  ILE   6          3HD1      ILE   6   2.818  -4.035 -10.474
   62    H    TYR   7           H        TYR   7   5.677  -0.325  -5.950
   63    HA   TYR   7           HA       TYR   7   3.502   1.425  -5.353
   64   1HB   TYR   7          1HB       TYR   7   4.279   1.671  -3.241
   65   2HB   TYR   7          2HB       TYR   7   5.143   0.212  -3.679
   66    HD1  TYR   7           HD1      TYR   7   7.519   0.249  -3.470
   67    HD2  TYR   7           HD2      TYR   7   5.332   3.950  -3.360
   68    HE1  TYR   7           HE1      TYR   7   9.656   1.520  -3.344
   69    HE2  TYR   7           HE2      TYR   7   7.455   5.208  -3.165
   70    HH   TYR   7           HH       TYR   7   9.730   5.084  -3.304
   71    H    ASN   8           H        ASN   8   6.706   2.061  -6.614
   72    HA   ASN   8           HA       ASN   8   6.563   4.893  -6.549
   73   1HB   ASN   8          1HB       ASN   8   8.592   3.430  -6.630
   74   2HB   ASN   8          2HB       ASN   8   8.182   3.014  -8.310
   75   1HD2  ASN   8          1HD2      ASN   8  10.183   3.778  -9.044
   76   2HD2  ASN   8          2HD2      ASN   8  10.556   5.493  -9.036
   77    H    LYS   9           H        LYS   9   5.281   2.581  -8.935
   78    HA   LYS   9           HA       LYS   9   4.497   4.768 -10.732
   79   1HB   LYS   9          1HB       LYS   9   5.473   2.711 -11.580
   80   2HB   LYS   9          2HB       LYS   9   4.150   1.756 -10.909
   81   1HG   LYS   9          1HG       LYS   9   3.348   4.056 -12.624
   82   2HG   LYS   9          2HG       LYS   9   4.275   2.800 -13.459
   83   1HD   LYS   9          1HD       LYS   9   2.637   1.177 -13.230
   84   2HD   LYS   9          2HD       LYS   9   2.088   1.786 -11.668
   85   1HE   LYS   9          1HE       LYS   9   0.345   2.142 -13.292
   86   2HE   LYS   9          2HE       LYS   9   0.972   3.656 -12.619
   87   1HZ   LYS   9          1HZ       LYS   9   2.257   3.962 -14.627
   88   2HZ   LYS   9          2HZ       LYS   9   1.736   2.537 -15.256
   89   3HZ   LYS   9          3HZ       LYS   9   0.677   3.779 -15.031
   90    H    ALA  10           H        ALA  10   3.082   2.853  -8.142
   91    HA   ALA  10           HA       ALA  10   0.328   3.737  -8.926
   92   1HB   ALA  10          1HB       ALA  10   0.678   1.299  -8.998
   93   2HB   ALA  10          2HB       ALA  10   1.056   1.311  -7.260
   94   3HB   ALA  10          3HB       ALA  10  -0.542   1.812  -7.814
   95    H    CYS  11           H        CYS  11   2.021   2.852  -5.830
   96    HA   CYS  11           HA       CYS  11   0.189   4.560  -4.311
   97   1HB   CYS  11          1HB       CYS  11   2.599   3.496  -2.986
   98   2HB   CYS  11          2HB       CYS  11   0.924   3.486  -2.467
   99    H    THR  12           H        THR  12   1.360   6.126  -6.179
  100    HA   THR  12           HA       THR  12   3.682   7.545  -4.911
  101    HB   THR  12           HB       THR  12   4.194   6.005  -6.803
  102    HG1  THR  12           HG1      THR  12   4.610   8.750  -7.249
  103   1HG2  THR  12          1HG2      THR  12   2.155   6.452  -8.223
  104   2HG2  THR  12          2HG2      THR  12   2.756   8.102  -8.512
  105   3HG2  THR  12          3HG2      THR  12   3.672   6.723  -9.092
  106    H    VAL  13           H        VAL  13   0.535   8.002  -6.143
  107    HA   VAL  13           HA       VAL  13   1.013  10.858  -6.900
  108    HB   VAL  13           HB       VAL  13  -1.132  10.796  -7.959
  109   1HG1  VAL  13          1HG1      VAL  13   0.877   9.896  -9.177
  110   2HG1  VAL  13          2HG1      VAL  13   0.350   8.254  -8.737
  111   3HG1  VAL  13          3HG1      VAL  13  -0.673   9.266  -9.766
  112   1HG2  VAL  13          1HG2      VAL  13  -1.429   7.954  -6.904
  113   2HG2  VAL  13          2HG2      VAL  13  -2.487   9.348  -6.571
  114   3HG2  VAL  13          3HG2      VAL  13  -2.425   8.654  -8.190
  115    H    CYS  14           H        CYS  14  -0.923   8.772  -4.848
  116    HA   CYS  14           HA       CYS  14  -2.038  10.915  -3.193
  117   1HB   CYS  14          1HB       CYS  14  -2.152   7.896  -3.438
  118   2HB   CYS  14          2HB       CYS  14  -2.874   8.725  -2.065
  119    H    HIS  15           H        HIS  15  -0.099   7.991  -2.535
  120    HA   HIS  15           HA       HIS  15   0.277   8.719   0.214
  121   1HB   HIS  15          1HB       HIS  15   1.365   6.564  -1.613
  122   2HB   HIS  15          2HB       HIS  15   1.913   6.718   0.046
  123    HD1  HIS  15           HD1      HIS  15   0.654   5.397   1.707
  124    HD2  HIS  15           HD2      HIS  15  -1.457   6.162  -1.825
  125    HE1  HIS  15           HE1      HIS  15  -1.395   3.859   1.752
  126    H    SER  16           H        SER  16   2.238   9.341  -2.579
  127    HA   SER  16           HA       SER  16   4.834   9.551  -1.438
  128   1HB   SER  16          1HB       SER  16   4.503   9.517  -3.832
  129   2HB   SER  16          2HB       SER  16   3.584  11.040  -3.786
  130    HG   SER  16           HG       SER  16   5.840  11.280  -4.349
  131    H    MET  17           H        MET  17   2.302  12.036  -1.878
  132    HA   MET  17           HA       MET  17   3.756  13.842   0.039
  133   1HB   MET  17          1HB       MET  17   2.020  14.417  -2.377
  134   2HB   MET  17          2HB       MET  17   2.498  15.656  -1.201
  135   1HG   MET  17          1HG       MET  17   4.513  13.912  -2.676
  136   2HG   MET  17          2HG       MET  17   3.956  15.471  -3.278
  137   1HE   MET  17          1HE       MET  17   7.030  14.402  -2.603
  138   2HE   MET  17          2HE       MET  17   6.603  15.873  -3.519
  139   3HE   MET  17          3HE       MET  17   7.696  15.978  -2.116
  140    H    GLY  18           H        GLY  18   0.963  11.854  -0.249
  141   1HA   GLY  18          1HA       GLY  18  -0.607  11.482   1.401
  142   2HA   GLY  18          2HA       GLY  18  -0.087  12.913   2.298
  143    H    VAL  19           H        VAL  19  -1.186  12.466  -1.066
  144    HA   VAL  19           HA       VAL  19  -3.107  14.708  -0.822
  145    HB   VAL  19           HB       VAL  19  -2.085  13.190  -3.259
  146   1HG1  VAL  19          1HG1      VAL  19  -4.255  14.148  -3.815
  147   2HG1  VAL  19          2HG1      VAL  19  -3.817  15.691  -3.034
  148   3HG1  VAL  19          3HG1      VAL  19  -3.001  15.162  -4.516
  149   1HG2  VAL  19          1HG2      VAL  19  -1.364  15.933  -2.139
  150   2HG2  VAL  19          2HG2      VAL  19  -0.306  14.509  -2.180
  151   3HG2  VAL  19          3HG2      VAL  19  -0.805  15.273  -3.690
  152    H    ALA  20           H        ALA  20  -5.236  14.381  -1.818
  153    HA   ALA  20           HA       ALA  20  -7.305  13.457  -1.659
  154   1HB   ALA  20          1HB       ALA  20  -6.394  12.124  -3.524
  155   2HB   ALA  20          2HB       ALA  20  -5.941  10.853  -2.366
  156   3HB   ALA  20          3HB       ALA  20  -7.648  11.271  -2.604
  157    H    GLY  21           H        GLY  21  -5.444  13.322   0.779
  158   1HA   GLY  21          1HA       GLY  21  -5.923  12.921   3.023
  159   2HA   GLY  21          2HA       GLY  21  -7.271  11.870   2.583
  160    H    ALA  22           H        ALA  22  -4.335  11.094   0.880
  161    HA   ALA  22           HA       ALA  22  -4.330   8.515   2.054
  162   1HB   ALA  22          1HB       ALA  22  -3.816   8.973  -0.221
  163   2HB   ALA  22          2HB       ALA  22  -2.358   9.901   0.212
  164   3HB   ALA  22          3HB       ALA  22  -2.412   8.149   0.490
  165    HA   PRO  23           HA       PRO  23  -1.552   8.908   5.412
  166   1HB   PRO  23          1HB       PRO  23  -0.637   6.400   5.791
  167   2HB   PRO  23          2HB       PRO  23  -2.383   6.787   5.909
  168   1HG   PRO  23          1HG       PRO  23  -0.911   5.695   3.505
  169   2HG   PRO  23          2HG       PRO  23  -2.395   5.021   4.240
  170   1HD   PRO  23          1HD       PRO  23  -2.574   6.677   2.129
  171   2HD   PRO  23          2HD       PRO  23  -3.727   6.783   3.482
  172    H    LYS  24           H        LYS  24   0.514   9.520   5.801
  173    HA   LYS  24           HA       LYS  24   2.187  10.231   3.761
  174   1HB   LYS  24          1HB       LYS  24   2.165  10.450   6.561
  175   2HB   LYS  24          2HB       LYS  24   3.719   9.717   6.220
  176   1HG   LYS  24          1HG       LYS  24   4.016  11.656   4.474
  177   2HG   LYS  24          2HG       LYS  24   2.610  12.370   5.280
  178   1HD   LYS  24          1HD       LYS  24   4.351  13.300   6.547
  179   2HD   LYS  24          2HD       LYS  24   3.952  11.865   7.502
  180   1HE   LYS  24          1HE       LYS  24   5.805  10.679   5.990
  181   2HE   LYS  24          2HE       LYS  24   6.271  12.328   5.570
  182   1HZ   LYS  24          1HZ       LYS  24   6.572  12.733   7.966
  183   2HZ   LYS  24          2HZ       LYS  24   6.229  11.154   8.278
  184   3HZ   LYS  24          3HZ       LYS  24   7.561  11.544   7.402
  185    H    SER  25           H        SER  25   3.508   9.252   2.461
  186    HA   SER  25           HA       SER  25   4.459   7.181   1.587
  187   1HB   SER  25          1HB       SER  25   6.835   7.855   1.643
  188   2HB   SER  25          2HB       SER  25   5.765   9.249   1.408
  189    HG   SER  25           HG       SER  25   7.395   9.627   3.018
  190    H    HIS  26           H        HIS  26   6.473   7.605   4.440
  191    HA   HIS  26           HA       HIS  26   5.591   5.047   5.525
  192   1HB   HIS  26          1HB       HIS  26   7.514   3.846   5.534
  193   2HB   HIS  26          2HB       HIS  26   7.433   4.465   3.886
  194    HD1  HIS  26           HD1      HIS  26   9.831   3.955   6.532
  195    HD2  HIS  26           HD2      HIS  26   9.047   6.992   3.727
  196    HE1  HIS  26           HE1      HIS  26  11.937   5.403   6.411
  197    H    ASN  27           H        ASN  27   5.004   5.665   7.442
  198    HA   ASN  27           HA       ASN  27   6.914   7.071   9.240
  199   1HB   ASN  27          1HB       ASN  27   4.932   8.105  10.248
  200   2HB   ASN  27          2HB       ASN  27   5.170   8.685   8.588
  201   1HD2  ASN  27          1HD2      ASN  27   3.570   7.582   6.873
  202   2HD2  ASN  27          2HD2      ASN  27   2.015   7.239   7.587
  203    H    THR  28           H        THR  28   5.955   6.716  11.642
  204    HA   THR  28           HA       THR  28   5.256   3.803  11.893
  205    HB   THR  28           HB       THR  28   7.225   4.533  13.091
  206    HG1  THR  28           HG1      THR  28   5.207   3.980  14.979
  207   1HG2  THR  28          1HG2      THR  28   6.625   6.874  13.703
  208   2HG2  THR  28          2HG2      THR  28   5.358   6.262  14.788
  209   3HG2  THR  28          3HG2      THR  28   7.051   5.892  15.116
  210    H    ALA  29           H        ALA  29   3.995   7.068  12.655
  211    HA   ALA  29           HA       ALA  29   2.097   6.339  14.535
  212   1HB   ALA  29          1HB       ALA  29   2.754   8.631  14.029
  213   2HB   ALA  29          2HB       ALA  29   1.966   8.529  12.434
  214   3HB   ALA  29          3HB       ALA  29   0.986   8.453  13.919
  215    H    ASP  30           H        ASP  30   1.472   6.665  11.013
  216    HA   ASP  30           HA       ASP  30  -1.297   5.761  11.315
  217   1HB   ASP  30          1HB       ASP  30  -0.562   7.581   9.752
  218   2HB   ASP  30          2HB       ASP  30   0.326   6.367   8.813
  219    H    TRP  31           H        TRP  31   1.824   4.366  10.703
  220    HA   TRP  31           HA       TRP  31   0.781   1.849   9.565
  221   1HB   TRP  31          1HB       TRP  31   3.486   2.837  10.371
  222   2HB   TRP  31          2HB       TRP  31   3.199   1.194   9.755
  223    HD1  TRP  31           HD1      TRP  31   3.064   4.897   8.662
  224    HE1  TRP  31           HE1      TRP  31   3.130   5.143   6.138
  225    HE3  TRP  31           HE3      TRP  31   3.118  -0.056   7.399
  226    HZ2  TRP  31           HZ2      TRP  31   3.109   3.420   3.843
  227    HZ3  TRP  31           HZ3      TRP  31   2.941  -0.702   4.988
  228    HH2  TRP  31           HH2      TRP  31   2.941   1.002   3.247
  229    H    GLU  32           H        GLU  32   1.618   3.078  12.809
  230    HA   GLU  32           HA       GLU  32   1.969   0.787  14.264
  231   1HB   GLU  32          1HB       GLU  32   0.906   3.510  14.819
  232   2HB   GLU  32          2HB       GLU  32   0.560   2.307  16.055
  233   1HG   GLU  32          1HG       GLU  32   2.808   1.922  16.544
  234   2HG   GLU  32          2HG       GLU  32   3.369   2.493  14.966
  235    HA   PRO  33           HA       PRO  33  -2.627  -0.128  15.168
  236   1HB   PRO  33          1HB       PRO  33  -4.616   0.967  13.621
  237   2HB   PRO  33          2HB       PRO  33  -3.964   1.739  15.093
  238   1HG   PRO  33          1HG       PRO  33  -3.135   2.279  12.227
  239   2HG   PRO  33          2HG       PRO  33  -3.611   3.474  13.467
  240   1HD   PRO  33          1HD       PRO  33  -1.032   2.959  12.996
  241   2HD   PRO  33          2HD       PRO  33  -1.584   3.140  14.680
  242    H    ARG  34           H        ARG  34  -1.182   0.100  12.029
  243    HA   ARG  34           HA       ARG  34  -2.847  -1.965  10.763
  244   1HB   ARG  34          1HB       ARG  34  -0.291  -0.700   9.738
  245   2HB   ARG  34          2HB       ARG  34  -1.548  -1.466   8.809
  246   1HG   ARG  34          1HG       ARG  34  -2.110   1.092  10.431
  247   2HG   ARG  34          2HG       ARG  34  -1.375   1.146   8.867
  248   1HD   ARG  34          1HD       ARG  34  -3.306   0.613   7.749
  249   2HD   ARG  34          2HD       ARG  34  -3.781  -0.561   8.959
  250    HE   ARG  34           HE       ARG  34  -5.275   0.932   9.665
  251   1HH1  ARG  34          2HH1      ARG  34  -2.562   3.149   9.250
  252   2HH1  ARG  34          1HH1      ARG  34  -3.540   4.451   8.702
  253   1HH2  ARG  34          1HH2      ARG  34  -6.553   2.652   9.008
  254   2HH2  ARG  34          2HH2      ARG  34  -5.837   4.237   9.028
  255    H    LEU  35           H        LEU  35   0.452  -1.456  11.974
  256    HA   LEU  35           HA       LEU  35   1.436  -4.134  11.779
  257   1HB   LEU  35          1HB       LEU  35   2.374  -1.557  12.617
  258   2HB   LEU  35          2HB       LEU  35   2.610  -2.616  13.993
  259    HG   LEU  35           HG       LEU  35   3.606  -3.220  11.174
  260   1HD1  LEU  35          1HD1      LEU  35   4.679  -1.192  12.104
  261   2HD1  LEU  35          2HD1      LEU  35   5.120  -2.102  13.566
  262   3HD1  LEU  35          3HD1      LEU  35   5.815  -2.546  11.992
  263   1HD2  LEU  35          1HD2      LEU  35   4.275  -4.493  13.847
  264   2HD2  LEU  35          2HD2      LEU  35   3.346  -5.244  12.526
  265   3HD2  LEU  35          3HD2      LEU  35   5.053  -4.844  12.286
  266    H    ALA  36           H        ALA  36  -0.910  -2.790  13.883
  267    HA   ALA  36           HA       ALA  36  -0.443  -4.627  16.138
  268   1HB   ALA  36          1HB       ALA  36  -1.187  -2.301  16.551
  269   2HB   ALA  36          2HB       ALA  36  -2.658  -2.605  15.600
  270   3HB   ALA  36          3HB       ALA  36  -2.380  -3.491  17.112
  271    H    LYS  37           H        LYS  37  -2.474  -4.196  13.258
  272    HA   LYS  37           HA       LYS  37  -4.110  -6.513  13.888
  273   1HB   LYS  37          1HB       LYS  37  -3.894  -4.776  11.401
  274   2HB   LYS  37          2HB       LYS  37  -4.933  -6.212  11.523
  275   1HG   LYS  37          1HG       LYS  37  -5.960  -5.224  13.602
  276   2HG   LYS  37          2HG       LYS  37  -5.091  -3.723  13.292
  277   1HD   LYS  37          1HD       LYS  37  -7.007  -5.045  11.303
  278   2HD   LYS  37          2HD       LYS  37  -7.530  -3.880  12.530
  279   1HE   LYS  37          1HE       LYS  37  -5.973  -2.173  11.593
  280   2HE   LYS  37          2HE       LYS  37  -5.487  -3.315  10.332
  281   1HZ   LYS  37          1HZ       LYS  37  -7.779  -3.347   9.567
  282   2HZ   LYS  37          2HZ       LYS  37  -8.229  -2.288  10.738
  283   3HZ   LYS  37          3HZ       LYS  37  -7.205  -1.809   9.545
  284    H    GLY  38           H        GLY  38  -1.532  -5.789  11.506
  285   1HA   GLY  38          1HA       GLY  38   0.203  -7.769  12.059
  286   2HA   GLY  38          2HA       GLY  38  -0.972  -8.692  11.115
  287    H    VAL  39           H        VAL  39  -0.873  -8.625   8.927
  288    HA   VAL  39           HA       VAL  39   0.402  -6.396   7.521
  289    HB   VAL  39           HB       VAL  39   1.472  -8.752   6.254
  290   1HG1  VAL  39          1HG1      VAL  39   2.243  -6.436   6.051
  291   2HG1  VAL  39          2HG1      VAL  39   2.825  -6.493   7.733
  292   3HG1  VAL  39          3HG1      VAL  39   3.562  -7.542   6.497
  293   1HG2  VAL  39          1HG2      VAL  39   2.417  -8.572   9.138
  294   2HG2  VAL  39          2HG2      VAL  39   1.441  -9.898   8.452
  295   3HG2  VAL  39          3HG2      VAL  39   3.069  -9.588   7.842
  296    H    ASP  40           H        ASP  40  -0.625  -9.761   6.833
  297    HA   ASP  40           HA       ASP  40  -1.679  -9.118   4.347
  298   1HB   ASP  40          1HB       ASP  40  -2.317 -11.588   5.950
  299   2HB   ASP  40          2HB       ASP  40  -2.153 -11.407   4.191
  300    H    ASN  41           H        ASN  41  -2.982  -7.489   6.198
  301    HA   ASN  41           HA       ASN  41  -5.866  -8.343   6.241
  302   1HB   ASN  41          1HB       ASN  41  -5.201  -5.983   7.876
  303   2HB   ASN  41          2HB       ASN  41  -5.969  -7.456   8.369
  304   1HD2  ASN  41          1HD2      ASN  41  -3.282  -5.558   9.053
  305   2HD2  ASN  41          2HD2      ASN  41  -2.345  -6.868   9.712
  306    H    LEU  42           H        LEU  42  -3.611  -5.591   5.884
  307    HA   LEU  42           HA       LEU  42  -5.602  -3.916   4.538
  308   1HB   LEU  42          1HB       LEU  42  -2.680  -3.633   5.268
  309   2HB   LEU  42          2HB       LEU  42  -3.612  -2.419   4.392
  310    HG   LEU  42           HG       LEU  42  -3.651  -1.549   6.502
  311   1HD1  LEU  42          1HD1      LEU  42  -5.988  -1.798   5.694
  312   2HD1  LEU  42          2HD1      LEU  42  -6.136  -3.290   6.662
  313   3HD1  LEU  42          3HD1      LEU  42  -5.842  -1.736   7.458
  314   1HD2  LEU  42          1HD2      LEU  42  -3.940  -4.326   7.637
  315   2HD2  LEU  42          2HD2      LEU  42  -2.514  -3.306   7.702
  316   3HD2  LEU  42          3HD2      LEU  42  -3.963  -2.847   8.602
  317    H    VAL  43           H        VAL  43  -2.739  -5.863   3.585
  318    HA   VAL  43           HA       VAL  43  -2.774  -5.080   0.851
  319    HB   VAL  43           HB       VAL  43  -1.101  -6.427   2.319
  320   1HG1  VAL  43          1HG1      VAL  43  -2.690  -8.330   2.579
  321   2HG1  VAL  43          2HG1      VAL  43  -2.389  -8.741   0.866
  322   3HG1  VAL  43          3HG1      VAL  43  -1.056  -8.781   2.028
  323   1HG2  VAL  43          1HG2      VAL  43  -1.491  -6.999  -0.658
  324   2HG2  VAL  43          2HG2      VAL  43  -0.595  -5.629   0.034
  325   3HG2  VAL  43          3HG2      VAL  43   0.007  -7.280   0.248
  326    H    LYS  44           H        LYS  44  -5.063  -6.859   2.678
  327    HA   LYS  44           HA       LYS  44  -6.368  -8.013   0.293
  328   1HB   LYS  44          1HB       LYS  44  -7.703  -7.625   2.944
  329   2HB   LYS  44          2HB       LYS  44  -8.109  -8.761   1.672
  330   1HG   LYS  44          1HG       LYS  44  -5.612  -8.877   3.420
  331   2HG   LYS  44          2HG       LYS  44  -7.099  -9.732   3.717
  332   1HD   LYS  44          1HD       LYS  44  -6.082 -11.447   2.759
  333   2HD   LYS  44          2HD       LYS  44  -6.635 -10.724   1.241
  334   1HE   LYS  44          1HE       LYS  44  -4.429  -9.766   0.848
  335   2HE   LYS  44          2HE       LYS  44  -3.929 -10.116   2.520
  336   1HZ   LYS  44          1HZ       LYS  44  -3.832 -12.396   2.075
  337   2HZ   LYS  44          2HZ       LYS  44  -4.432 -12.232   0.546
  338   3HZ   LYS  44          3HZ       LYS  44  -2.974 -11.650   0.901
  339    H    SER  45           H        SER  45  -6.738  -5.037   2.335
  340    HA   SER  45           HA       SER  45  -9.152  -4.154   1.040
  341   1HB   SER  45          1HB       SER  45  -7.065  -2.560   2.583
  342   2HB   SER  45          2HB       SER  45  -8.715  -2.052   2.164
  343    HG   SER  45           HG       SER  45  -8.706  -2.892   4.264
  344    H    VAL  46           H        VAL  46  -5.657  -3.641   0.559
  345    HA   VAL  46           HA       VAL  46  -5.832  -1.654  -1.377
  346    HB   VAL  46           HB       VAL  46  -3.793  -2.767  -0.059
  347   1HG1  VAL  46          1HG1      VAL  46  -4.008  -4.936  -1.327
  348   2HG1  VAL  46          2HG1      VAL  46  -3.512  -4.062  -2.778
  349   3HG1  VAL  46          3HG1      VAL  46  -2.395  -4.211  -1.406
  350   1HG2  VAL  46          1HG2      VAL  46  -3.602  -1.521  -2.807
  351   2HG2  VAL  46          2HG2      VAL  46  -3.382  -0.780  -1.189
  352   3HG2  VAL  46          3HG2      VAL  46  -2.192  -1.929  -1.800
  353    H    LYS  47           H        LYS  47  -6.135  -5.131  -1.746
  354    HA   LYS  47           HA       LYS  47  -6.204  -4.984  -4.604
  355   1HB   LYS  47          1HB       LYS  47  -6.047  -7.232  -4.638
  356   2HB   LYS  47          2HB       LYS  47  -5.425  -6.836  -3.026
  357   1HG   LYS  47          1HG       LYS  47  -8.003  -7.270  -2.360
  358   2HG   LYS  47          2HG       LYS  47  -7.994  -8.224  -3.825
  359   1HD   LYS  47          1HD       LYS  47  -5.750  -8.455  -1.778
  360   2HD   LYS  47          2HD       LYS  47  -7.297  -9.209  -1.421
  361   1HE   LYS  47          1HE       LYS  47  -5.896  -9.766  -4.069
  362   2HE   LYS  47          2HE       LYS  47  -5.343 -10.577  -2.602
  363   1HZ   LYS  47          1HZ       LYS  47  -7.550 -11.436  -2.267
  364   2HZ   LYS  47          2HZ       LYS  47  -8.114 -10.675  -3.607
  365   3HZ   LYS  47          3HZ       LYS  47  -7.004 -11.884  -3.750
  366    H    THR  48           H        THR  48  -8.555  -5.019  -2.038
  367    HA   THR  48           HA       THR  48 -10.904  -5.276  -3.691
  368    HB   THR  48           HB       THR  48 -10.511  -4.113  -0.913
  369    HG1  THR  48           HG1      THR  48 -11.257  -6.206  -0.353
  370   1HG2  THR  48          1HG2      THR  48 -12.664  -3.323  -1.742
  371   2HG2  THR  48          2HG2      THR  48 -13.059  -4.943  -2.362
  372   3HG2  THR  48          3HG2      THR  48 -12.938  -4.655  -0.614
  373    H    GLY  49           H        GLY  49  -8.916  -2.380  -2.801
  374   1HA   GLY  49          1HA       GLY  49  -9.082  -0.301  -3.800
  375   2HA   GLY  49          2HA       GLY  49 -10.658  -0.609  -4.497
  376    H    LEU  50           H        LEU  50  -9.081   0.897  -2.147
  377    HA   LEU  50           HA       LEU  50 -11.276   1.331  -0.257
  378   1HB   LEU  50          1HB       LEU  50  -8.441   1.789  -0.459
  379   2HB   LEU  50          2HB       LEU  50  -9.161   3.338  -0.425
  380    HG   LEU  50           HG       LEU  50  -8.443   2.527   1.780
  381   1HD1  LEU  50          1HD1      LEU  50 -10.354   3.955   1.905
  382   2HD1  LEU  50          2HD1      LEU  50 -11.485   2.596   1.652
  383   3HD1  LEU  50          3HD1      LEU  50 -10.506   2.688   3.129
  384   1HD2  LEU  50          1HD2      LEU  50 -10.357   0.183   1.444
  385   2HD2  LEU  50          2HD2      LEU  50  -8.592   0.126   1.254
  386   3HD2  LEU  50          3HD2      LEU  50  -9.305   0.527   2.828
  387    H    ASN  51           H        ASN  51 -11.311   4.207  -0.266
  388    HA   ASN  51           HA       ASN  51 -13.365   4.462  -2.259
  389   1HB   ASN  51          1HB       ASN  51 -12.292   6.838  -0.705
  390   2HB   ASN  51          2HB       ASN  51 -13.915   6.525  -1.301
  391   1HD2  ASN  51          1HD2      ASN  51 -11.548   6.012   1.202
  392   2HD2  ASN  51          2HD2      ASN  51 -12.472   4.890   2.168
  393    H    ALA  52           H        ALA  52 -10.617   6.675  -1.825
  394    HA   ALA  52           HA       ALA  52 -10.585   7.701  -4.515
  395   1HB   ALA  52          1HB       ALA  52  -9.654   8.838  -2.484
  396   2HB   ALA  52          2HB       ALA  52  -8.378   7.604  -2.411
  397   3HB   ALA  52          3HB       ALA  52  -8.471   8.716  -3.797
  398    H    MET  53           H        MET  53  -9.007   5.037  -2.888
  399    HA   MET  53           HA       MET  53  -6.966   4.521  -4.685
  400   1HB   MET  53          1HB       MET  53  -7.683   3.844  -2.154
  401   2HB   MET  53          2HB       MET  53  -8.092   2.323  -2.942
  402   1HG   MET  53          1HG       MET  53  -5.801   1.925  -3.474
  403   2HG   MET  53          2HG       MET  53  -5.458   3.643  -3.382
  404   1HE   MET  53          1HE       MET  53  -6.571   0.552  -1.065
  405   2HE   MET  53          2HE       MET  53  -4.983   0.513  -1.857
  406   3HE   MET  53          3HE       MET  53  -5.098   0.630  -0.078
  407    HA   PRO  54           HA       PRO  54  -9.366   2.225  -7.729
  408   1HB   PRO  54          1HB       PRO  54  -7.351   1.162  -9.275
  409   2HB   PRO  54          2HB       PRO  54  -7.804   2.892  -9.306
  410   1HG   PRO  54          1HG       PRO  54  -5.596   1.601  -7.681
  411   2HG   PRO  54          2HG       PRO  54  -5.467   3.036  -8.744
  412   1HD   PRO  54          1HD       PRO  54  -5.783   3.213  -6.062
  413   2HD   PRO  54          2HD       PRO  54  -6.608   4.380  -7.148
  414    HA   PRO  55           HA       PRO  55  -9.327  -1.858  -5.807
  415   1HB   PRO  55          1HB       PRO  55 -10.679  -3.346  -7.650
  416   2HB   PRO  55          2HB       PRO  55 -11.485  -2.113  -6.639
  417   1HG   PRO  55          1HG       PRO  55 -10.469  -1.767  -9.467
  418   2HG   PRO  55          2HG       PRO  55 -12.082  -1.342  -8.820
  419   1HD   PRO  55          1HD       PRO  55 -10.116   0.505  -9.060
  420   2HD   PRO  55          2HD       PRO  55 -11.203   0.528  -7.636
  421    H    GLY  56           H        GLY  56  -7.603  -3.194  -5.643
  422   1HA   GLY  56          1HA       GLY  56  -6.087  -4.827  -6.621
  423   2HA   GLY  56          2HA       GLY  56  -6.411  -4.127  -8.147
  424    H    GLY  57           H        GLY  57  -5.629  -1.986  -5.474
  425   1HA   GLY  57          1HA       GLY  57  -4.031  -0.329  -5.360
  426   2HA   GLY  57          2HA       GLY  57  -2.948  -1.717  -5.481
  427    H    MET  58           H        MET  58  -5.033  -0.539  -8.073
  428    HA   MET  58           HA       MET  58  -4.756   0.296 -10.118
  429   1HB   MET  58          1HB       MET  58  -3.253   2.011  -8.788
  430   2HB   MET  58          2HB       MET  58  -1.933   1.186  -9.629
  431   1HG   MET  58          1HG       MET  58  -3.388   1.623 -11.791
  432   2HG   MET  58          2HG       MET  58  -4.205   2.815 -10.802
  433   1HE   MET  58          1HE       MET  58  -3.089   5.120 -10.107
  434   2HE   MET  58          2HE       MET  58  -1.989   4.140  -9.104
  435   3HE   MET  58          3HE       MET  58  -1.331   5.392 -10.188
  436    H    CYS  59           H        CYS  59  -3.000  -2.332  -9.088
  437    HA   CYS  59           HA       CYS  59  -1.761  -2.831 -11.773
  438   1HB   CYS  59          1HB       CYS  59   0.027  -3.316 -10.658
  439   2HB   CYS  59          2HB       CYS  59  -0.762  -3.202  -9.089
  440    H    THR  60           H        THR  60  -3.984  -4.194  -9.396
  441    HA   THR  60           HA       THR  60  -5.529  -5.805  -9.461
  442    HB   THR  60           HB       THR  60  -5.350  -5.670 -12.496
  443    HG1  THR  60           HG1      THR  60  -7.277  -4.373 -12.020
  444   1HG2  THR  60          1HG2      THR  60  -6.492  -7.725 -11.769
  445   2HG2  THR  60          2HG2      THR  60  -7.477  -6.791 -10.616
  446   3HG2  THR  60          3HG2      THR  60  -7.672  -6.552 -12.365
  447    H    ASP  61           H        ASP  61  -3.193  -6.752 -12.013
  448    HA   ASP  61           HA       ASP  61  -3.361  -9.573 -11.264
  449   1HB   ASP  61          1HB       ASP  61  -1.627  -8.056 -13.259
  450   2HB   ASP  61          2HB       ASP  61  -1.750  -9.817 -13.136
  451    H    CYS  62           H        CYS  62  -2.750  -8.554  -9.014
  452    HA   CYS  62           HA       CYS  62   0.205  -8.500  -8.601
  453   1HB   CYS  62          1HB       CYS  62  -1.793  -7.577  -6.594
  454   2HB   CYS  62          2HB       CYS  62  -0.160  -6.981  -6.869
  455    H    THR  63           H        THR  63   1.180 -10.149  -7.515
  456    HA   THR  63           HA       THR  63  -0.517 -12.070  -5.983
  457    HB   THR  63           HB       THR  63   0.774 -13.279  -7.505
  458    HG1  THR  63           HG1      THR  63   2.378 -14.230  -6.008
  459   1HG2  THR  63          1HG2      THR  63   2.418 -11.701  -8.307
  460   2HG2  THR  63          2HG2      THR  63   3.204 -11.618  -6.710
  461   3HG2  THR  63          3HG2      THR  63   3.260 -13.109  -7.663
  462    H    ASP  64           H        ASP  64  -0.471 -12.055  -3.794
  463    HA   ASP  64           HA       ASP  64   0.422 -10.328  -2.028
  464   1HB   ASP  64          1HB       ASP  64   0.305 -13.345  -1.948
  465   2HB   ASP  64          2HB       ASP  64   0.574 -12.343  -0.525
  466    H    GLU  65           H        GLU  65   2.574 -12.826  -3.408
  467    HA   GLU  65           HA       GLU  65   4.947 -12.453  -2.052
  468   1HB   GLU  65          1HB       GLU  65   4.631 -12.706  -5.073
  469   2HB   GLU  65          2HB       GLU  65   6.091 -13.030  -4.132
  470   1HG   GLU  65          1HG       GLU  65   4.801 -14.793  -2.846
  471   2HG   GLU  65          2HG       GLU  65   3.455 -14.569  -3.970
  472    H    ASP  66           H        ASP  66   4.013 -10.356  -4.907
  473    HA   ASP  66           HA       ASP  66   6.177  -8.501  -4.070
  474   1HB   ASP  66          1HB       ASP  66   4.879  -9.067  -6.646
  475   2HB   ASP  66          2HB       ASP  66   5.116  -7.343  -6.303
  476    H    TYR  67           H        TYR  67   2.665  -8.798  -3.981
  477    HA   TYR  67           HA       TYR  67   2.024  -6.109  -3.535
  478   1HB   TYR  67          1HB       TYR  67   0.725  -8.595  -3.533
  479   2HB   TYR  67          2HB       TYR  67   0.503  -8.073  -1.880
  480    HD1  TYR  67           HD1      TYR  67   0.253  -4.946  -3.225
  481    HD2  TYR  67           HD2      TYR  67  -1.703  -8.789  -3.488
  482    HE1  TYR  67           HE1      TYR  67  -1.587  -3.936  -4.532
  483    HE2  TYR  67           HE2      TYR  67  -3.631  -7.719  -4.591
  484    HH   TYR  67           HH       TYR  67  -4.284  -5.894  -5.760
  485    H    LYS  68           H        LYS  68   3.174  -8.591  -1.309
  486    HA   LYS  68           HA       LYS  68   2.943  -6.982   1.079
  487   1HB   LYS  68          1HB       LYS  68   3.787  -8.685   2.321
  488   2HB   LYS  68          2HB       LYS  68   2.749  -9.440   1.110
  489   1HG   LYS  68          1HG       LYS  68   4.755 -10.156  -0.151
  490   2HG   LYS  68          2HG       LYS  68   5.812  -9.331   0.982
  491   1HD   LYS  68          1HD       LYS  68   3.825 -11.306   2.089
  492   2HD   LYS  68          2HD       LYS  68   5.195 -11.959   1.201
  493   1HE   LYS  68          1HE       LYS  68   5.442  -9.983   3.535
  494   2HE   LYS  68          2HE       LYS  68   5.558 -11.742   3.701
  495   1HZ   LYS  68          1HZ       LYS  68   7.448 -11.569   2.071
  496   2HZ   LYS  68          2HZ       LYS  68   7.368  -9.900   2.261
  497   3HZ   LYS  68          3HZ       LYS  68   7.736 -10.839   3.520
  498    H    ALA  69           H        ALA  69   5.599  -8.031  -1.128
  499    HA   ALA  69           HA       ALA  69   7.797  -6.787   0.020
  500   1HB   ALA  69          1HB       ALA  69   7.970  -8.235  -1.828
  501   2HB   ALA  69          2HB       ALA  69   7.152  -7.044  -2.854
  502   3HB   ALA  69          3HB       ALA  69   8.746  -6.671  -2.171
  503    H    ALA  70           H        ALA  70   5.177  -5.386  -1.891
  504    HA   ALA  70           HA       ALA  70   6.364  -2.776  -2.326
  505   1HB   ALA  70          1HB       ALA  70   4.666  -3.726  -3.827
  506   2HB   ALA  70          2HB       ALA  70   3.447  -3.606  -2.538
  507   3HB   ALA  70          3HB       ALA  70   4.190  -2.138  -3.205
  508    H    ILE  71           H        ILE  71   4.007  -3.966   0.170
  509    HA   ILE  71           HA       ILE  71   3.921  -1.352   1.412
  510    HB   ILE  71           HB       ILE  71   2.749  -2.583   3.118
  511   1HG1  ILE  71          1HG1      ILE  71   2.614  -4.944   1.320
  512   2HG1  ILE  71          2HG1      ILE  71   3.662  -4.870   2.763
  513   1HG2  ILE  71          1HG2      ILE  71   1.615  -1.420   1.277
  514   2HG2  ILE  71          2HG2      ILE  71   1.757  -2.845   0.225
  515   3HG2  ILE  71          3HG2      ILE  71   0.677  -2.870   1.620
  516   1HD1  ILE  71          1HD1      ILE  71   1.689  -4.514   4.194
  517   2HD1  ILE  71          2HD1      ILE  71   0.629  -4.723   2.785
  518   3HD1  ILE  71          3HD1      ILE  71   1.650  -6.061   3.324
  519    H    GLU  72           H        GLU  72   5.661  -4.405   1.978
  520    HA   GLU  72           HA       GLU  72   6.853  -3.465   4.406
  521   1HB   GLU  72          1HB       GLU  72   8.048  -5.423   4.580
  522   2HB   GLU  72          2HB       GLU  72   6.542  -5.899   3.763
  523   1HG   GLU  72          1HG       GLU  72   7.852  -5.611   1.629
  524   2HG   GLU  72          2HG       GLU  72   9.305  -5.486   2.578
  525    H    PHE  73           H        PHE  73   7.744  -2.995   1.013
  526    HA   PHE  73           HA       PHE  73  10.259  -1.795   1.339
  527   1HB   PHE  73          1HB       PHE  73   8.882  -2.001  -0.779
  528   2HB   PHE  73          2HB       PHE  73   7.981  -0.582  -0.269
  529    HD1  PHE  73           HD1      PHE  73  10.879  -1.772  -2.017
  530    HD2  PHE  73           HD2      PHE  73   9.336   1.628   0.154
  531    HE1  PHE  73           HE1      PHE  73  12.633  -0.326  -3.009
  532    HE2  PHE  73           HE2      PHE  73  11.113   3.046  -0.818
  533    HZ   PHE  73           HZ       PHE  73  12.725   2.081  -2.454
  534    H    MET  74           H        MET  74   7.069  -0.431   2.244
  535    HA   MET  74           HA       MET  74   8.271   2.099   3.161
  536   1HB   MET  74          1HB       MET  74   5.445   0.998   3.059
  537   2HB   MET  74          2HB       MET  74   5.829   2.564   3.791
  538   1HG   MET  74          1HG       MET  74   6.771   3.366   1.690
  539   2HG   MET  74          2HG       MET  74   6.508   1.817   0.891
  540   1HE   MET  74          1HE       MET  74   4.310   1.209  -0.408
  541   2HE   MET  74          2HE       MET  74   3.675   0.883   1.221
  542   3HE   MET  74          3HE       MET  74   2.723   1.857   0.087
  543    H    SER  75           H        SER  75   6.335  -0.542   4.544
  544    HA   SER  75           HA       SER  75   7.926  -1.101   6.787
  545   1HB   SER  75          1HB       SER  75   7.339   1.043   7.743
  546   2HB   SER  75          2HB       SER  75   5.632   0.817   7.339
  547    HG   SER  75           HG       SER  75   6.088   0.297   9.544
  548    H    LYS  76           H        LYS  76   7.382  -3.200   6.940
  549    HA   LYS  76           HA       LYS  76   5.127  -4.490   5.891
  550   1HB   LYS  76          1HB       LYS  76   5.717  -6.313   7.667
  551   2HB   LYS  76          2HB       LYS  76   6.816  -5.969   6.354
  552   1HG   LYS  76          1HG       LYS  76   8.410  -4.996   7.655
  553   2HG   LYS  76          2HG       LYS  76   7.268  -4.370   8.856
  554   1HD   LYS  76          1HD       LYS  76   7.615  -7.360   8.633
  555   2HD   LYS  76          2HD       LYS  76   8.888  -6.399   9.412
  556   1HE   LYS  76          1HE       LYS  76   7.241  -5.353  10.932
  557   2HE   LYS  76          2HE       LYS  76   5.926  -6.270  10.183
  558   1HZ   LYS  76          1HZ       LYS  76   6.941  -8.281  10.973
  559   2HZ   LYS  76          2HZ       LYS  76   8.232  -7.466  11.589
  560   3HZ   LYS  76          3HZ       LYS  76   6.736  -7.253  12.240
  561    H    ALA  77           H        ALA  77   3.361  -3.061   6.468
  562    HA   ALA  77           HA       ALA  77   1.857  -4.161   8.750
  563   1HB   ALA  77          1HB       ALA  77   3.364  -1.960   9.276
  564   2HB   ALA  77          2HB       ALA  77   1.866  -1.178   8.738
  565   3HB   ALA  77          3HB       ALA  77   1.821  -2.335  10.046
  566    H    LYS  78           H        LYS  78   1.521  -1.378   6.538
  567    HA   LYS  78           HA       LYS  78  -1.308  -2.165   6.113
  568   1HB   LYS  78          1HB       LYS  78  -1.936  -0.026   5.753
  569   2HB   LYS  78          2HB       LYS  78  -0.785   0.094   7.065
  570   1HG   LYS  78          1HG       LYS  78   0.751   1.237   5.813
  571   2HG   LYS  78          2HG       LYS  78   0.205   0.641   4.254
  572   1HD   LYS  78          1HD       LYS  78  -0.355   2.903   4.296
  573   2HD   LYS  78          2HD       LYS  78  -1.845   1.989   4.466
  574   1HE   LYS  78          1HE       LYS  78  -2.009   3.761   6.004
  575   2HE   LYS  78          2HE       LYS  78  -1.743   2.321   6.961
  576   1HZ   LYS  78          1HZ       LYS  78   0.535   2.981   7.283
  577   2HZ   LYS  78          2HZ       LYS  78   0.404   4.188   6.158
  578   3HZ   LYS  78          3HZ       LYS  78  -0.460   4.287   7.543
  579    HHA  HEC  90           HHA      HEC  90  -5.909   4.296   3.262
  580    HHB  HEC  90           HHB      HEC  90  -1.528   0.110   1.034
  581    HHC  HEC  90           HHC      HEC  90  -1.734   3.048  -4.707
  582    HHD  HEC  90           HHD      HEC  90  -5.443   7.574  -2.279
  583   1HMA  HEC  90          1HMA      HEC  90  -3.293  -0.969   2.602
  584   2HMA  HEC  90          2HMA      HEC  90  -1.941  -0.147   3.386
  585   3HMA  HEC  90          3HMA      HEC  90  -3.513  -0.299   4.233
  586   1HAA  HEC  90          1HAA      HEC  90  -4.896   3.131   4.983
  587   2HAA  HEC  90          2HAA      HEC  90  -4.175   1.569   5.291
  588   1HBA  HEC  90          1HBA      HEC  90  -6.231   0.431   4.532
  589   2HBA  HEC  90          2HBA      HEC  90  -6.970   2.000   4.177
  590   1HMB  HEC  90          1HMB      HEC  90  -0.195  -1.293  -0.864
  591   2HMB  HEC  90          2HMB      HEC  90   1.083  -0.430  -1.728
  592   3HMB  HEC  90          3HMB      HEC  90   0.670   0.047  -0.104
  593    HAB  HEC  90           HAB      HEC  90  -0.358   1.512  -4.869
  594   1HBB  HEC  90          1HBB      HEC  90  -1.082  -0.826  -4.664
  595   2HBB  HEC  90          2HBB      HEC  90   0.545  -0.639  -5.336
  596   3HBB  HEC  90          3HBB      HEC  90   0.333  -1.182  -3.664
  597   1HMC  HEC  90          1HMC      HEC  90  -3.997   4.974  -6.634
  598   2HMC  HEC  90          2HMC      HEC  90  -2.564   6.007  -6.508
  599   3HMC  HEC  90          3HMC      HEC  90  -2.412   4.265  -6.337
  600    HAC  HEC  90           HAC      HEC  90  -3.997   7.565  -5.604
  601   1HBC  HEC  90          1HBC      HEC  90  -6.710   7.409  -4.498
  602   2HBC  HEC  90          2HBC      HEC  90  -6.180   8.339  -5.919
  603   3HBC  HEC  90          3HBC      HEC  90  -6.078   6.574  -5.935
  604   1HMD  HEC  90          1HMD      HEC  90  -7.816   8.286  -0.215
  605   2HMD  HEC  90          2HMD      HEC  90  -6.680   9.110   0.867
  606   3HMD  HEC  90          3HMD      HEC  90  -6.277   8.914  -0.843
  607   1HAD  HEC  90          1HAD      HEC  90  -7.943   5.969   2.759
  608   2HAD  HEC  90          2HAD      HEC  90  -7.727   7.672   2.391
  609   1HBD  HEC  90          1HBD      HEC  90  -5.760   7.749   3.942
  610   2HBD  HEC  90          2HBD      HEC  90  -6.123   6.095   4.445
  Start of MODEL   20
    1   1H    ALA  -3          1H        ALA  -3   5.911   1.015 -16.405
    2   2H    ALA  -3          2H        ALA  -3   7.156   1.886 -17.053
    3   3H    ALA  -3          3H        ALA  -3   6.567   0.538 -17.825
    4    HA   ALA  -3           HA       ALA  -3   8.638   0.030 -16.828
    5   1HB   ALA  -3          1HB       ALA  -3   8.414   1.699 -14.963
    6   2HB   ALA  -3          2HB       ALA  -3   7.276   0.601 -14.159
    7   3HB   ALA  -3          3HB       ALA  -3   8.958   0.102 -14.442
    8    H    ASP  -2           H        ASP  -2   7.898  -1.709 -14.290
    9    HA   ASP  -2           HA       ASP  -2   6.029  -3.605 -15.378
   10   1HB   ASP  -2          1HB       ASP  -2   8.193  -3.907 -16.740
   11   2HB   ASP  -2          2HB       ASP  -2   8.936  -4.490 -15.239
   12    H    LEU  -1           H        LEU  -1   5.553  -5.237 -13.911
   13    HA   LEU  -1           HA       LEU  -1   5.798  -4.252 -11.111
   14   1HB   LEU  -1          1HB       LEU  -1   3.884  -5.463 -10.549
   15   2HB   LEU  -1          2HB       LEU  -1   3.581  -4.541 -11.997
   16    HG   LEU  -1           HG       LEU  -1   2.401  -6.353 -12.455
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.944  -6.312 -14.318
   18   2HD1  LEU  -1          2HD1      LEU  -1   5.068  -7.400 -13.448
   19   3HD1  LEU  -1          3HD1      LEU  -1   3.470  -7.972 -13.949
   20   1HD2  LEU  -1          1HD2      LEU  -1   4.217  -8.421 -11.201
   21   2HD2  LEU  -1          2HD2      LEU  -1   2.945  -7.551 -10.322
   22   3HD2  LEU  -1          3HD2      LEU  -1   2.564  -8.555 -11.729
   23    H    GLN   1           H        GLN   1   8.145  -5.081 -11.755
   24    HA   GLN   1           HA       GLN   1   8.444  -7.971 -11.341
   25   1HB   GLN   1          1HB       GLN   1   9.492  -6.294 -13.157
   26   2HB   GLN   1          2HB       GLN   1  10.750  -6.134 -11.938
   27   1HG   GLN   1          1HG       GLN   1  11.662  -8.071 -12.649
   28   2HG   GLN   1          2HG       GLN   1  10.207  -8.967 -12.227
   29   1HE2  GLN   1          1HE2      GLN   1   8.908  -9.760 -13.940
   30   2HE2  GLN   1          2HE2      GLN   1   9.208  -9.298 -15.613
   31    H    ASP   2           H        ASP   2   8.706  -5.211  -9.351
   32    HA   ASP   2           HA       ASP   2  10.114  -6.584  -7.228
   33   1HB   ASP   2          1HB       ASP   2  11.863  -5.311  -8.547
   34   2HB   ASP   2          2HB       ASP   2  10.942  -3.823  -8.281
   35    H    ALA   3           H        ALA   3  10.030  -4.505  -5.507
   36    HA   ALA   3           HA       ALA   3   7.161  -3.916  -5.043
   37   1HB   ALA   3          1HB       ALA   3   8.233  -5.027  -3.272
   38   2HB   ALA   3          2HB       ALA   3   9.721  -4.071  -3.423
   39   3HB   ALA   3          3HB       ALA   3   8.266  -3.308  -2.773
   40    H    GLU   4           H        GLU   4  10.436  -2.391  -5.273
   41    HA   GLU   4           HA       GLU   4   9.596   0.259  -4.619
   42   1HB   GLU   4          1HB       GLU   4  11.894  -0.203  -4.591
   43   2HB   GLU   4          2HB       GLU   4  11.935  -0.758  -6.268
   44   1HG   GLU   4          1HG       GLU   4  11.757   1.458  -7.105
   45   2HG   GLU   4          2HG       GLU   4  11.005   2.070  -5.619
   46    H    ALA   5           H        ALA   5   9.855  -1.420  -7.702
   47    HA   ALA   5           HA       ALA   5   9.012   0.866  -9.297
   48   1HB   ALA   5          1HB       ALA   5  10.485  -0.834 -10.215
   49   2HB   ALA   5          2HB       ALA   5   9.213  -2.071 -10.035
   50   3HB   ALA   5          3HB       ALA   5   8.985  -0.707 -11.158
   51    H    ILE   6           H        ILE   6   7.312  -1.861  -7.729
   52    HA   ILE   6           HA       ILE   6   4.844  -1.369  -9.173
   53    HB   ILE   6           HB       ILE   6   5.758  -3.274  -7.270
   54   1HG1  ILE   6          1HG1      ILE   6   2.923  -3.159  -8.320
   55   2HG1  ILE   6          2HG1      ILE   6   4.286  -3.483  -9.403
   56   1HG2  ILE   6          1HG2      ILE   6   4.814  -2.040  -5.415
   57   2HG2  ILE   6          2HG2      ILE   6   3.242  -1.882  -6.242
   58   3HG2  ILE   6          3HG2      ILE   6   3.818  -3.449  -5.706
   59   1HD1  ILE   6          1HD1      ILE   6   4.914  -5.454  -8.263
   60   2HD1  ILE   6          2HD1      ILE   6   3.800  -5.168  -6.911
   61   3HD1  ILE   6          3HD1      ILE   6   3.155  -5.557  -8.493
   62    H    TYR   7           H        TYR   7   6.066  -0.298  -5.892
   63    HA   TYR   7           HA       TYR   7   3.641   1.196  -5.575
   64   1HB   TYR   7          1HB       TYR   7   4.258   1.709  -3.490
   65   2HB   TYR   7          2HB       TYR   7   5.305   0.328  -3.742
   66    HD1  TYR   7           HD1      TYR   7   5.121   4.077  -3.781
   67    HD2  TYR   7           HD2      TYR   7   7.671   0.623  -3.435
   68    HE1  TYR   7           HE1      TYR   7   7.110   5.557  -3.643
   69    HE2  TYR   7           HE2      TYR   7   9.654   2.117  -3.275
   70    HH   TYR   7           HH       TYR   7  10.421   4.222  -3.536
   71    H    ASN   8           H        ASN   8   6.883   2.095  -6.714
   72    HA   ASN   8           HA       ASN   8   6.376   4.889  -6.918
   73   1HB   ASN   8          1HB       ASN   8   8.572   3.730  -6.700
   74   2HB   ASN   8          2HB       ASN   8   8.398   3.152  -8.371
   75   1HD2  ASN   8          1HD2      ASN   8  10.371   4.232  -8.916
   76   2HD2  ASN   8          2HD2      ASN   8  10.380   5.981  -9.080
   77    H    LYS   9           H        LYS   9   5.674   2.194  -9.144
   78    HA   LYS   9           HA       LYS   9   4.705   4.051 -11.226
   79   1HB   LYS   9          1HB       LYS   9   5.734   1.805 -11.663
   80   2HB   LYS   9          2HB       LYS   9   4.264   1.066 -10.994
   81   1HG   LYS   9          1HG       LYS   9   2.964   2.374 -12.803
   82   2HG   LYS   9          2HG       LYS   9   4.534   2.906 -13.409
   83   1HD   LYS   9          1HD       LYS   9   4.256   1.014 -14.748
   84   2HD   LYS   9          2HD       LYS   9   5.091   0.301 -13.363
   85   1HE   LYS   9          1HE       LYS   9   3.337  -1.195 -13.666
   86   2HE   LYS   9          2HE       LYS   9   2.707  -0.143 -12.394
   87   1HZ   LYS   9          1HZ       LYS   9   1.542   1.099 -14.158
   88   2HZ   LYS   9          2HZ       LYS   9   2.087   0.025 -15.282
   89   3HZ   LYS   9          3HZ       LYS   9   1.066  -0.471 -14.098
   90    H    ALA  10           H        ALA  10   3.335   2.374  -8.428
   91    HA   ALA  10           HA       ALA  10   0.583   2.743  -9.501
   92   1HB   ALA  10          1HB       ALA  10   1.316   0.404  -9.156
   93   2HB   ALA  10          2HB       ALA  10   1.568   0.733  -7.427
   94   3HB   ALA  10          3HB       ALA  10  -0.043   0.835  -8.099
   95    H    CYS  11           H        CYS  11   1.996   2.420  -6.225
   96    HA   CYS  11           HA       CYS  11  -0.097   3.995  -4.965
   97   1HB   CYS  11          1HB       CYS  11   2.421   3.237  -3.602
   98   2HB   CYS  11          2HB       CYS  11   0.770   3.240  -2.987
   99    H    THR  12           H        THR  12   1.350   5.451  -6.992
  100    HA   THR  12           HA       THR  12   3.277   7.177  -5.520
  101    HB   THR  12           HB       THR  12   4.141   5.729  -7.352
  102    HG1  THR  12           HG1      THR  12   4.155   8.477  -7.905
  103   1HG2  THR  12          1HG2      THR  12   2.158   5.773  -8.877
  104   2HG2  THR  12          2HG2      THR  12   2.408   7.506  -9.161
  105   3HG2  THR  12          3HG2      THR  12   3.606   6.345  -9.707
  106    H    VAL  13           H        VAL  13   0.227   7.400  -6.201
  107    HA   VAL  13           HA       VAL  13   0.256  10.141  -7.388
  108    HB   VAL  13           HB       VAL  13  -2.094   8.230  -7.184
  109   1HG1  VAL  13          1HG1      VAL  13  -2.501  10.635  -7.725
  110   2HG1  VAL  13          2HG1      VAL  13  -1.374  10.488  -9.094
  111   3HG1  VAL  13          3HG1      VAL  13  -2.897   9.568  -9.089
  112   1HG2  VAL  13          1HG2      VAL  13  -0.024   8.346  -9.413
  113   2HG2  VAL  13          2HG2      VAL  13  -0.431   6.936  -8.408
  114   3HG2  VAL  13          3HG2      VAL  13  -1.616   7.571  -9.544
  115    H    CYS  14           H        CYS  14  -1.238   8.103  -4.899
  116    HA   CYS  14           HA       CYS  14  -2.209  10.388  -3.308
  117   1HB   CYS  14          1HB       CYS  14  -2.519   7.426  -3.403
  118   2HB   CYS  14          2HB       CYS  14  -2.965   8.305  -1.941
  119    H    HIS  15           H        HIS  15  -0.309   7.409  -2.621
  120    HA   HIS  15           HA       HIS  15   0.323   8.324   0.017
  121   1HB   HIS  15          1HB       HIS  15   1.289   5.999  -1.687
  122   2HB   HIS  15          2HB       HIS  15   1.823   6.273  -0.044
  123    HD1  HIS  15           HD1      HIS  15   0.633   4.741   1.565
  124    HD2  HIS  15           HD2      HIS  15  -1.646   5.795  -1.810
  125    HE1  HIS  15           HE1      HIS  15  -1.461   3.411   1.711
  126    H    SER  16           H        SER  16   1.998   8.659  -2.996
  127    HA   SER  16           HA       SER  16   4.703   8.933  -2.182
  128   1HB   SER  16          1HB       SER  16   3.089   9.688  -4.561
  129   2HB   SER  16          2HB       SER  16   4.488  10.727  -4.294
  130    HG   SER  16           HG       SER  16   4.983   8.808  -5.539
  131    H    MET  17           H        MET  17   2.231  11.463  -2.619
  132    HA   MET  17           HA       MET  17   3.908  13.384  -1.072
  133   1HB   MET  17          1HB       MET  17   3.119  13.745  -3.506
  134   2HB   MET  17          2HB       MET  17   1.523  14.061  -2.814
  135   1HG   MET  17          1HG       MET  17   2.541  15.917  -1.462
  136   2HG   MET  17          2HG       MET  17   4.127  15.471  -2.109
  137   1HE   MET  17          1HE       MET  17   4.351  18.104  -2.566
  138   2HE   MET  17          2HE       MET  17   5.193  16.998  -3.687
  139   3HE   MET  17          3HE       MET  17   4.319  18.409  -4.323
  140    H    GLY  18           H        GLY  18   0.955  11.510  -0.897
  141   1HA   GLY  18          1HA       GLY  18  -0.377  11.231   0.997
  142   2HA   GLY  18          2HA       GLY  18   0.261  12.702   1.729
  143    H    VAL  19           H        VAL  19  -1.430  11.857  -1.321
  144    HA   VAL  19           HA       VAL  19  -3.243  14.206  -1.040
  145    HB   VAL  19           HB       VAL  19  -2.790  12.424  -3.466
  146   1HG1  VAL  19          1HG1      VAL  19  -4.923  13.530  -3.672
  147   2HG1  VAL  19          2HG1      VAL  19  -4.222  15.082  -3.138
  148   3HG1  VAL  19          3HG1      VAL  19  -3.766  14.366  -4.695
  149   1HG2  VAL  19          1HG2      VAL  19  -1.569  15.119  -2.760
  150   2HG2  VAL  19          2HG2      VAL  19  -0.707  13.575  -2.951
  151   3HG2  VAL  19          3HG2      VAL  19  -1.464  14.330  -4.350
  152    H    ALA  20           H        ALA  20  -5.532  13.782  -1.642
  153    HA   ALA  20           HA       ALA  20  -7.538  12.861  -1.114
  154   1HB   ALA  20          1HB       ALA  20  -6.854  11.279  -2.880
  155   2HB   ALA  20          2HB       ALA  20  -6.219  10.186  -1.629
  156   3HB   ALA  20          3HB       ALA  20  -7.949  10.560  -1.685
  157    H    GLY  21           H        GLY  21  -5.337  13.028   1.066
  158   1HA   GLY  21          1HA       GLY  21  -5.289  12.728   3.356
  159   2HA   GLY  21          2HA       GLY  21  -6.852  11.904   3.298
  160    H    ALA  22           H        ALA  22  -4.278  10.755   1.180
  161    HA   ALA  22           HA       ALA  22  -4.233   8.157   2.311
  162   1HB   ALA  22          1HB       ALA  22  -3.799   8.747  -0.032
  163   2HB   ALA  22          2HB       ALA  22  -2.292   9.565   0.423
  164   3HB   ALA  22          3HB       ALA  22  -2.447   7.812   0.582
  165    HA   PRO  23           HA       PRO  23  -1.246   8.485   5.545
  166   1HB   PRO  23          1HB       PRO  23   0.011   6.083   5.581
  167   2HB   PRO  23          2HB       PRO  23  -1.715   6.272   5.953
  168   1HG   PRO  23          1HG       PRO  23  -0.445   5.371   3.413
  169   2HG   PRO  23          2HG       PRO  23  -1.882   4.670   4.197
  170   1HD   PRO  23          1HD       PRO  23  -1.959   6.467   2.105
  171   2HD   PRO  23          2HD       PRO  23  -3.287   6.278   3.261
  172    H    LYS  24           H        LYS  24   1.036   8.430   6.066
  173    HA   LYS  24           HA       LYS  24   2.470   9.782   3.914
  174   1HB   LYS  24          1HB       LYS  24   2.441  10.062   6.598
  175   2HB   LYS  24          2HB       LYS  24   3.921   9.106   6.419
  176   1HG   LYS  24          1HG       LYS  24   4.523  11.395   6.411
  177   2HG   LYS  24          2HG       LYS  24   4.736  10.821   4.755
  178   1HD   LYS  24          1HD       LYS  24   3.193  12.302   3.953
  179   2HD   LYS  24          2HD       LYS  24   1.987  11.798   5.146
  180   1HE   LYS  24          1HE       LYS  24   2.971  13.261   6.854
  181   2HE   LYS  24          2HE       LYS  24   4.260  13.750   5.740
  182   1HZ   LYS  24          1HZ       LYS  24   2.581  14.719   4.313
  183   2HZ   LYS  24          2HZ       LYS  24   1.376  14.242   5.322
  184   3HZ   LYS  24          3HZ       LYS  24   2.467  15.364   5.822
  185    H    SER  25           H        SER  25   3.754   8.953   2.507
  186    HA   SER  25           HA       SER  25   4.356   6.526   1.725
  187   1HB   SER  25          1HB       SER  25   5.120   8.661   0.643
  188   2HB   SER  25          2HB       SER  25   6.500   8.696   1.751
  189    HG   SER  25           HG       SER  25   6.804   7.636  -0.394
  190    H    HIS  26           H        HIS  26   6.265   8.008   4.319
  191    HA   HIS  26           HA       HIS  26   6.498   5.378   5.420
  192   1HB   HIS  26          1HB       HIS  26   8.756   5.241   5.894
  193   2HB   HIS  26          2HB       HIS  26   8.735   5.741   4.205
  194    HD1  HIS  26           HD1      HIS  26   8.809   8.746   4.190
  195    HD2  HIS  26           HD2      HIS  26  10.468   6.507   7.337
  196    HE1  HIS  26           HE1      HIS  26  10.405  10.307   5.438
  197    H    ASN  27           H        ASN  27   5.878   5.526   7.474
  198    HA   ASN  27           HA       ASN  27   6.647   7.780   9.164
  199   1HB   ASN  27          1HB       ASN  27   3.941   7.464   8.068
  200   2HB   ASN  27          2HB       ASN  27   3.883   7.114   9.795
  201   1HD2  ASN  27          1HD2      ASN  27   2.521   9.258   8.613
  202   2HD2  ASN  27          2HD2      ASN  27   3.263  10.705   9.292
  203    H    THR  28           H        THR  28   6.154   7.211  11.510
  204    HA   THR  28           HA       THR  28   5.948   4.212  11.890
  205    HB   THR  28           HB       THR  28   7.972   5.283  12.774
  206    HG1  THR  28           HG1      THR  28   6.302   4.280  14.829
  207   1HG2  THR  28          1HG2      THR  28   6.986   7.472  13.544
  208   2HG2  THR  28          2HG2      THR  28   6.160   6.593  14.853
  209   3HG2  THR  28          3HG2      THR  28   7.924   6.619  14.781
  210    H    ALA  29           H        ALA  29   4.576   7.369  13.002
  211    HA   ALA  29           HA       ALA  29   2.719   6.080  14.742
  212   1HB   ALA  29          1HB       ALA  29   3.565   8.320  15.078
  213   2HB   ALA  29          2HB       ALA  29   2.724   8.880  13.604
  214   3HB   ALA  29          3HB       ALA  29   1.787   8.301  15.006
  215    H    ASP  30           H        ASP  30   2.509   6.797  11.360
  216    HA   ASP  30           HA       ASP  30  -0.416   6.685  11.179
  217   1HB   ASP  30          1HB       ASP  30   1.274   8.138   9.869
  218   2HB   ASP  30          2HB       ASP  30   1.642   6.683   8.920
  219    H    TRP  31           H        TRP  31   2.410   4.645  10.705
  220    HA   TRP  31           HA       TRP  31   0.937   2.366   9.588
  221   1HB   TRP  31          1HB       TRP  31   3.846   2.816  10.256
  222   2HB   TRP  31          2HB       TRP  31   3.190   1.372   9.469
  223    HD1  TRP  31           HD1      TRP  31   3.476   5.162   8.823
  224    HE1  TRP  31           HE1      TRP  31   3.664   5.662   6.305
  225    HE3  TRP  31           HE3      TRP  31   3.073   0.396   7.028
  226    HZ2  TRP  31           HZ2      TRP  31   3.657   4.211   3.885
  227    HZ3  TRP  31           HZ3      TRP  31   2.947   0.035   4.568
  228    HH2  TRP  31           HH2      TRP  31   3.158   1.948   3.017
  229    H    GLU  32           H        GLU  32   2.395   3.302  12.758
  230    HA   GLU  32           HA       GLU  32   2.353   0.951  14.182
  231   1HB   GLU  32          1HB       GLU  32   1.903   3.833  14.827
  232   2HB   GLU  32          2HB       GLU  32   1.452   2.674  16.074
  233   1HG   GLU  32          1HG       GLU  32   3.623   1.813  16.302
  234   2HG   GLU  32          2HG       GLU  32   4.177   2.490  14.763
  235    HA   PRO  33           HA       PRO  33  -2.274   1.160  15.340
  236   1HB   PRO  33          1HB       PRO  33  -4.036   2.714  13.891
  237   2HB   PRO  33          2HB       PRO  33  -3.135   3.279  15.326
  238   1HG   PRO  33          1HG       PRO  33  -2.378   3.666  12.417
  239   2HG   PRO  33          2HG       PRO  33  -2.445   4.901  13.709
  240   1HD   PRO  33          1HD       PRO  33  -0.137   3.755  13.029
  241   2HD   PRO  33          2HD       PRO  33  -0.497   4.044  14.752
  242    H    ARG  34           H        ARG  34  -0.923   0.712  12.244
  243    HA   ARG  34           HA       ARG  34  -3.167  -1.014  11.312
  244   1HB   ARG  34          1HB       ARG  34  -0.812   0.275   9.897
  245   2HB   ARG  34          2HB       ARG  34  -1.958  -0.822   9.121
  246   1HG   ARG  34          1HG       ARG  34  -2.797   1.742  10.550
  247   2HG   ARG  34          2HG       ARG  34  -2.327   1.694   8.870
  248   1HD   ARG  34          1HD       ARG  34  -4.228   0.665   8.150
  249   2HD   ARG  34          2HD       ARG  34  -4.381  -0.329   9.606
  250    HE   ARG  34           HE       ARG  34  -4.866   2.450  10.190
  251   1HH1  ARG  34          2HH1      ARG  34  -6.608  -0.013   8.381
  252   2HH1  ARG  34          1HH1      ARG  34  -8.023   0.083   9.346
  253   1HH2  ARG  34          1HH2      ARG  34  -6.914   2.918  11.053
  254   2HH2  ARG  34          2HH2      ARG  34  -8.277   1.917  10.638
  255    H    LEU  35           H        LEU  35   0.375  -0.988  11.805
  256    HA   LEU  35           HA       LEU  35   0.913  -3.792  11.675
  257   1HB   LEU  35          1HB       LEU  35   2.115  -1.368  13.016
  258   2HB   LEU  35          2HB       LEU  35   2.738  -2.946  13.454
  259    HG   LEU  35           HG       LEU  35   2.552  -2.248  10.535
  260   1HD1  LEU  35          1HD1      LEU  35   3.680  -0.326  11.466
  261   2HD1  LEU  35          2HD1      LEU  35   4.717  -1.355  12.479
  262   3HD1  LEU  35          3HD1      LEU  35   4.900  -1.361  10.716
  263   1HD2  LEU  35          1HD2      LEU  35   4.381  -4.020  12.213
  264   2HD2  LEU  35          2HD2      LEU  35   3.135  -4.554  11.055
  265   3HD2  LEU  35          3HD2      LEU  35   4.581  -3.702  10.489
  266    H    ALA  36           H        ALA  36  -1.351  -2.459  13.720
  267    HA   ALA  36           HA       ALA  36  -0.587  -3.873  16.186
  268   1HB   ALA  36          1HB       ALA  36  -1.335  -1.559  16.393
  269   2HB   ALA  36          2HB       ALA  36  -2.825  -1.924  15.504
  270   3HB   ALA  36          3HB       ALA  36  -2.546  -2.645  17.107
  271    H    LYS  37           H        LYS  37  -2.850  -3.953  13.445
  272    HA   LYS  37           HA       LYS  37  -4.358  -6.202  14.628
  273   1HB   LYS  37          1HB       LYS  37  -4.530  -4.851  11.904
  274   2HB   LYS  37          2HB       LYS  37  -5.366  -6.342  12.335
  275   1HG   LYS  37          1HG       LYS  37  -6.989  -4.798  12.612
  276   2HG   LYS  37          2HG       LYS  37  -6.471  -5.108  14.263
  277   1HD   LYS  37          1HD       LYS  37  -5.085  -2.853  12.818
  278   2HD   LYS  37          2HD       LYS  37  -6.803  -2.602  13.062
  279   1HE   LYS  37          1HE       LYS  37  -5.005  -3.421  15.382
  280   2HE   LYS  37          2HE       LYS  37  -5.115  -1.737  14.849
  281   1HZ   LYS  37          1HZ       LYS  37  -7.452  -1.776  15.254
  282   2HZ   LYS  37          2HZ       LYS  37  -7.423  -3.361  15.693
  283   3HZ   LYS  37          3HZ       LYS  37  -6.663  -2.234  16.617
  284    H    GLY  38           H        GLY  38  -2.216  -5.599  11.813
  285   1HA   GLY  38          1HA       GLY  38  -0.436  -7.717  12.101
  286   2HA   GLY  38          2HA       GLY  38  -1.817  -8.398  11.227
  287    H    VAL  39           H        VAL  39  -1.225  -8.508   9.128
  288    HA   VAL  39           HA       VAL  39  -0.098  -6.121   7.712
  289    HB   VAL  39           HB       VAL  39   1.094  -8.941   7.665
  290   1HG1  VAL  39          1HG1      VAL  39   1.271  -7.885   5.465
  291   2HG1  VAL  39          2HG1      VAL  39   1.847  -6.377   6.213
  292   3HG1  VAL  39          3HG1      VAL  39   2.849  -7.847   6.261
  293   1HG2  VAL  39          1HG2      VAL  39   2.149  -6.343   8.850
  294   2HG2  VAL  39          2HG2      VAL  39   1.774  -7.839   9.728
  295   3HG2  VAL  39          3HG2      VAL  39   3.121  -7.807   8.596
  296    H    ASP  40           H        ASP  40  -0.993  -9.558   7.129
  297    HA   ASP  40           HA       ASP  40  -1.844  -9.065   4.514
  298   1HB   ASP  40          1HB       ASP  40  -2.404 -11.390   6.387
  299   2HB   ASP  40          2HB       ASP  40  -2.647 -11.413   4.637
  300    H    ASN  41           H        ASN  41  -3.316  -7.611   6.849
  301    HA   ASN  41           HA       ASN  41  -6.151  -8.168   6.296
  302   1HB   ASN  41          1HB       ASN  41  -5.261  -5.879   8.016
  303   2HB   ASN  41          2HB       ASN  41  -6.519  -7.036   8.386
  304   1HD2  ASN  41          1HD2      ASN  41  -4.285  -5.824   9.953
  305   2HD2  ASN  41          2HD2      ASN  41  -3.525  -7.234  10.674
  306    H    LEU  42           H        LEU  42  -3.606  -5.955   5.452
  307    HA   LEU  42           HA       LEU  42  -5.588  -4.004   4.370
  308   1HB   LEU  42          1HB       LEU  42  -2.666  -3.371   4.562
  309   2HB   LEU  42          2HB       LEU  42  -4.138  -2.386   4.568
  310    HG   LEU  42           HG       LEU  42  -4.658  -3.549   6.866
  311   1HD1  LEU  42          1HD1      LEU  42  -2.852  -5.086   7.182
  312   2HD1  LEU  42          2HD1      LEU  42  -1.649  -3.943   6.545
  313   3HD1  LEU  42          3HD1      LEU  42  -2.374  -3.694   8.139
  314   1HD2  LEU  42          1HD2      LEU  42  -2.556  -1.379   6.633
  315   2HD2  LEU  42          2HD2      LEU  42  -4.314  -1.159   6.487
  316   3HD2  LEU  42          3HD2      LEU  42  -3.631  -1.739   8.005
  317    H    VAL  43           H        VAL  43  -3.001  -6.169   3.481
  318    HA   VAL  43           HA       VAL  43  -2.745  -5.530   0.724
  319    HB   VAL  43           HB       VAL  43  -1.236  -7.000   2.190
  320   1HG1  VAL  43          1HG1      VAL  43  -3.127  -8.623   2.784
  321   2HG1  VAL  43          2HG1      VAL  43  -3.013  -9.246   1.132
  322   3HG1  VAL  43          3HG1      VAL  43  -1.615  -9.366   2.205
  323   1HG2  VAL  43          1HG2      VAL  43  -1.957  -7.975  -0.621
  324   2HG2  VAL  43          2HG2      VAL  43  -0.898  -6.608  -0.251
  325   3HG2  VAL  43          3HG2      VAL  43  -0.433  -8.242   0.236
  326    H    LYS  44           H        LYS  44  -5.135  -7.312   2.592
  327    HA   LYS  44           HA       LYS  44  -6.501  -8.256   0.234
  328   1HB   LYS  44          1HB       LYS  44  -8.223  -9.050   1.601
  329   2HB   LYS  44          2HB       LYS  44  -6.667  -9.366   2.369
  330   1HG   LYS  44          1HG       LYS  44  -7.808  -8.592   4.198
  331   2HG   LYS  44          2HG       LYS  44  -7.126  -7.082   3.564
  332   1HD   LYS  44          1HD       LYS  44  -9.285  -6.827   2.218
  333   2HD   LYS  44          2HD       LYS  44  -9.956  -8.147   3.156
  334   1HE   LYS  44          1HE       LYS  44  -8.823  -5.528   4.265
  335   2HE   LYS  44          2HE       LYS  44 -10.528  -5.762   3.869
  336   1HZ   LYS  44          1HZ       LYS  44 -10.590  -7.552   5.496
  337   2HZ   LYS  44          2HZ       LYS  44  -9.006  -7.276   5.882
  338   3HZ   LYS  44          3HZ       LYS  44 -10.142  -6.129   6.193
  339    H    SER  45           H        SER  45  -6.736  -5.260   2.189
  340    HA   SER  45           HA       SER  45  -9.181  -4.446   0.868
  341   1HB   SER  45          1HB       SER  45  -7.701  -3.569   3.163
  342   2HB   SER  45          2HB       SER  45  -8.272  -2.196   2.201
  343    HG   SER  45           HG       SER  45  -9.930  -2.770   3.561
  344    H    VAL  46           H        VAL  46  -5.752  -3.951   0.437
  345    HA   VAL  46           HA       VAL  46  -5.963  -1.779  -1.405
  346    HB   VAL  46           HB       VAL  46  -3.945  -2.669  -0.019
  347   1HG1  VAL  46          1HG1      VAL  46  -4.073  -4.933  -0.940
  348   2HG1  VAL  46          2HG1      VAL  46  -3.638  -4.338  -2.526
  349   3HG1  VAL  46          3HG1      VAL  46  -2.463  -4.235  -1.208
  350   1HG2  VAL  46          1HG2      VAL  46  -3.547  -1.875  -2.908
  351   2HG2  VAL  46          2HG2      VAL  46  -3.655  -0.812  -1.473
  352   3HG2  VAL  46          3HG2      VAL  46  -2.314  -1.955  -1.617
  353    H    LYS  47           H        LYS  47  -6.059  -5.307  -1.812
  354    HA   LYS  47           HA       LYS  47  -6.011  -5.164  -4.677
  355   1HB   LYS  47          1HB       LYS  47  -5.925  -7.409  -4.684
  356   2HB   LYS  47          2HB       LYS  47  -5.401  -7.053  -3.035
  357   1HG   LYS  47          1HG       LYS  47  -8.103  -7.372  -2.649
  358   2HG   LYS  47          2HG       LYS  47  -7.902  -8.399  -4.059
  359   1HD   LYS  47          1HD       LYS  47  -5.926  -8.624  -1.804
  360   2HD   LYS  47          2HD       LYS  47  -7.601  -9.107  -1.470
  361   1HE   LYS  47          1HE       LYS  47  -7.540 -10.805  -3.188
  362   2HE   LYS  47          2HE       LYS  47  -5.942 -10.273  -3.748
  363   1HZ   LYS  47          1HZ       LYS  47  -4.990 -10.978  -1.675
  364   2HZ   LYS  47          2HZ       LYS  47  -6.464 -11.345  -1.042
  365   3HZ   LYS  47          3HZ       LYS  47  -5.843 -12.229  -2.279
  366    H    THR  48           H        THR  48  -8.509  -5.129  -2.271
  367    HA   THR  48           HA       THR  48 -10.740  -5.322  -4.186
  368    HB   THR  48           HB       THR  48 -10.518  -6.300  -1.785
  369    HG1  THR  48           HG1      THR  48 -12.773  -5.696  -1.385
  370   1HG2  THR  48          1HG2      THR  48 -10.129  -3.909  -0.872
  371   2HG2  THR  48          2HG2      THR  48 -11.856  -3.671  -1.032
  372   3HG2  THR  48          3HG2      THR  48 -11.245  -4.962   0.029
  373    H    GLY  49           H        GLY  49  -8.882  -2.705  -2.671
  374   1HA   GLY  49          1HA       GLY  49  -9.055  -0.460  -3.091
  375   2HA   GLY  49          2HA       GLY  49 -10.648  -0.637  -3.825
  376    H    LEU  50           H        LEU  50  -9.075   0.486  -1.146
  377    HA   LEU  50           HA       LEU  50 -11.183   0.100   0.848
  378   1HB   LEU  50          1HB       LEU  50  -8.674   0.557   1.234
  379   2HB   LEU  50          2HB       LEU  50  -9.039   2.222   0.844
  380    HG   LEU  50           HG       LEU  50 -10.997   1.588   2.791
  381   1HD1  LEU  50          1HD1      LEU  50 -10.078  -0.602   3.174
  382   2HD1  LEU  50          2HD1      LEU  50  -8.473   0.076   3.506
  383   3HD1  LEU  50          3HD1      LEU  50  -9.828   0.427   4.595
  384   1HD2  LEU  50          1HD2      LEU  50  -8.212   2.766   3.149
  385   2HD2  LEU  50          2HD2      LEU  50  -9.707   3.649   2.825
  386   3HD2  LEU  50          3HD2      LEU  50  -9.498   2.825   4.376
  387    H    ASN  51           H        ASN  51 -11.265   3.058   1.605
  388    HA   ASN  51           HA       ASN  51 -13.707   3.654   0.197
  389   1HB   ASN  51          1HB       ASN  51 -11.924   5.493   1.929
  390   2HB   ASN  51          2HB       ASN  51 -13.621   5.796   1.500
  391   1HD2  ASN  51          1HD2      ASN  51 -15.010   3.746   1.947
  392   2HD2  ASN  51          2HD2      ASN  51 -13.946   2.520   2.424
  393    H    ALA  52           H        ALA  52 -10.716   5.424   0.298
  394    HA   ALA  52           HA       ALA  52 -11.351   6.829  -2.256
  395   1HB   ALA  52          1HB       ALA  52 -11.100   8.136  -0.269
  396   2HB   ALA  52          2HB       ALA  52  -9.594   7.335   0.156
  397   3HB   ALA  52          3HB       ALA  52  -9.652   8.424  -1.278
  398    H    MET  53           H        MET  53 -10.664   4.151  -2.454
  399    HA   MET  53           HA       MET  53  -8.082   4.317  -3.894
  400   1HB   MET  53          1HB       MET  53  -8.561   2.958  -1.396
  401   2HB   MET  53          2HB       MET  53  -8.298   1.717  -2.627
  402   1HG   MET  53          1HG       MET  53  -6.133   2.572  -3.172
  403   2HG   MET  53          2HG       MET  53  -6.517   4.112  -2.375
  404   1HE   MET  53          1HE       MET  53  -6.844   0.341  -0.995
  405   2HE   MET  53          2HE       MET  53  -5.383   0.522  -2.001
  406   3HE   MET  53          3HE       MET  53  -5.245   0.286  -0.227
  407    HA   PRO  54           HA       PRO  54 -10.596   2.067  -6.815
  408   1HB   PRO  54          1HB       PRO  54  -8.772   1.573  -8.793
  409   2HB   PRO  54          2HB       PRO  54  -9.398   3.212  -8.442
  410   1HG   PRO  54          1HG       PRO  54  -6.802   1.972  -7.522
  411   2HG   PRO  54          2HG       PRO  54  -7.053   3.594  -8.228
  412   1HD   PRO  54          1HD       PRO  54  -6.878   3.105  -5.518
  413   2HD   PRO  54          2HD       PRO  54  -7.850   4.448  -6.197
  414    HA   PRO  55           HA       PRO  55  -9.827  -2.142  -5.701
  415   1HB   PRO  55          1HB       PRO  55 -10.959  -3.588  -7.741
  416   2HB   PRO  55          2HB       PRO  55 -11.911  -2.631  -6.573
  417   1HG   PRO  55          1HG       PRO  55 -11.043  -1.796  -9.344
  418   2HG   PRO  55          2HG       PRO  55 -12.669  -1.664  -8.610
  419   1HD   PRO  55          1HD       PRO  55 -10.936   0.434  -8.669
  420   2HD   PRO  55          2HD       PRO  55 -12.010   0.166  -7.265
  421    H    GLY  56           H        GLY  56  -7.847  -3.167  -5.656
  422   1HA   GLY  56          1HA       GLY  56  -6.072  -4.334  -6.628
  423   2HA   GLY  56          2HA       GLY  56  -6.512  -3.743  -8.199
  424    H    GLY  57           H        GLY  57  -5.993  -1.768  -5.301
  425   1HA   GLY  57          1HA       GLY  57  -4.492  -0.124  -4.749
  426   2HA   GLY  57          2HA       GLY  57  -3.324  -1.239  -5.471
  427    H    MET  58           H        MET  58  -2.765  -0.978  -7.634
  428    HA   MET  58           HA       MET  58  -3.802   0.611  -9.538
  429   1HB   MET  58          1HB       MET  58  -2.236   2.285  -7.735
  430   2HB   MET  58          2HB       MET  58  -1.473   2.285  -9.310
  431   1HG   MET  58          1HG       MET  58  -4.427   2.782  -8.996
  432   2HG   MET  58          2HG       MET  58  -3.171   4.017  -8.994
  433   1HE   MET  58          1HE       MET  58  -5.718   3.861 -10.998
  434   2HE   MET  58          2HE       MET  58  -4.544   5.207 -10.954
  435   3HE   MET  58          3HE       MET  58  -4.932   4.410 -12.500
  436    H    CYS  59           H        CYS  59  -2.777  -1.931  -9.375
  437    HA   CYS  59           HA       CYS  59  -0.471  -1.904 -11.290
  438   1HB   CYS  59          1HB       CYS  59   0.125  -4.148 -10.057
  439   2HB   CYS  59          2HB       CYS  59   0.675  -2.579  -9.470
  440    H    THR  60           H        THR  60  -0.409  -3.534 -12.839
  441    HA   THR  60           HA       THR  60  -3.063  -4.127 -13.795
  442    HB   THR  60           HB       THR  60  -1.179  -3.473 -15.258
  443    HG1  THR  60           HG1      THR  60  -1.747  -5.097 -16.857
  444   1HG2  THR  60          1HG2      THR  60   0.616  -5.011 -14.295
  445   2HG2  THR  60          2HG2      THR  60  -0.229  -6.366 -15.083
  446   3HG2  THR  60          3HG2      THR  60   0.446  -5.062 -16.056
  447    H    ASP  61           H        ASP  61  -0.406  -6.243 -12.742
  448    HA   ASP  61           HA       ASP  61  -2.388  -8.371 -12.064
  449   1HB   ASP  61          1HB       ASP  61  -1.004  -8.876 -14.099
  450   2HB   ASP  61          2HB       ASP  61   0.458  -8.737 -13.108
  451    H    CYS  62           H        CYS  62  -2.435  -7.084 -10.021
  452    HA   CYS  62           HA       CYS  62  -0.029  -6.897  -8.409
  453   1HB   CYS  62          1HB       CYS  62  -2.828  -6.937  -7.316
  454   2HB   CYS  62          2HB       CYS  62  -1.361  -6.166  -6.688
  455    H    THR  63           H        THR  63   0.974  -9.020  -8.293
  456    HA   THR  63           HA       THR  63  -0.538 -11.332  -7.367
  457    HB   THR  63           HB       THR  63   1.590 -12.411  -7.533
  458    HG1  THR  63           HG1      THR  63   3.324 -10.425  -8.065
  459   1HG2  THR  63          1HG2      THR  63   0.558 -11.687  -9.733
  460   2HG2  THR  63          2HG2      THR  63   1.710 -10.338  -9.758
  461   3HG2  THR  63          3HG2      THR  63   2.307 -11.999  -9.775
  462    H    ASP  64           H        ASP  64  -0.327 -12.241  -5.123
  463    HA   ASP  64           HA       ASP  64   0.223 -10.412  -3.019
  464   1HB   ASP  64          1HB       ASP  64  -0.213 -13.343  -3.313
  465   2HB   ASP  64          2HB       ASP  64   0.502 -12.771  -1.817
  466    H    GLU  65           H        GLU  65   2.411 -12.634  -4.757
  467    HA   GLU  65           HA       GLU  65   4.626 -12.425  -3.024
  468   1HB   GLU  65          1HB       GLU  65   6.025 -13.084  -4.869
  469   2HB   GLU  65          2HB       GLU  65   4.579 -14.083  -4.758
  470   1HG   GLU  65          1HG       GLU  65   3.593 -12.898  -6.665
  471   2HG   GLU  65          2HG       GLU  65   5.028 -11.855  -6.796
  472    H    ASP  66           H        ASP  66   3.678 -10.164  -5.757
  473    HA   ASP  66           HA       ASP  66   5.852  -8.382  -4.918
  474   1HB   ASP  66          1HB       ASP  66   3.627  -7.869  -6.902
  475   2HB   ASP  66          2HB       ASP  66   5.173  -7.003  -6.676
  476    H    TYR  67           H        TYR  67   2.266  -8.465  -4.427
  477    HA   TYR  67           HA       TYR  67   1.978  -5.852  -3.479
  478   1HB   TYR  67          1HB       TYR  67   0.443  -8.335  -3.481
  479   2HB   TYR  67          2HB       TYR  67   0.256  -7.595  -1.941
  480    HD1  TYR  67           HD1      TYR  67   0.257  -4.611  -2.969
  481    HD2  TYR  67           HD2      TYR  67  -1.851  -8.229  -4.024
  482    HE1  TYR  67           HE1      TYR  67  -1.474  -3.282  -4.134
  483    HE2  TYR  67           HE2      TYR  67  -3.664  -6.867  -5.008
  484    HH   TYR  67           HH       TYR  67  -4.003  -4.742  -6.023
  485    H    LYS  68           H        LYS  68   2.864  -8.801  -1.730
  486    HA   LYS  68           HA       LYS  68   2.787  -7.557   0.900
  487   1HB   LYS  68          1HB       LYS  68   3.908 -10.201  -0.081
  488   2HB   LYS  68          2HB       LYS  68   3.892  -9.694   1.621
  489   1HG   LYS  68          1HG       LYS  68   1.464  -9.583   1.682
  490   2HG   LYS  68          2HG       LYS  68   1.372  -9.643  -0.071
  491   1HD   LYS  68          1HD       LYS  68   0.679 -11.684   0.316
  492   2HD   LYS  68          2HD       LYS  68   2.387 -12.038   0.099
  493   1HE   LYS  68          1HE       LYS  68   0.880 -11.674   2.755
  494   2HE   LYS  68          2HE       LYS  68   1.238 -13.234   2.025
  495   1HZ   LYS  68          1HZ       LYS  68   3.576 -12.761   2.280
  496   2HZ   LYS  68          2HZ       LYS  68   3.243 -11.286   2.940
  497   3HZ   LYS  68          3HZ       LYS  68   2.796 -12.655   3.736
  498    H    ALA  69           H        ALA  69   5.412  -8.395  -1.427
  499    HA   ALA  69           HA       ALA  69   7.585  -7.233  -0.046
  500   1HB   ALA  69          1HB       ALA  69   7.728  -8.597  -2.098
  501   2HB   ALA  69          2HB       ALA  69   7.066  -7.240  -3.031
  502   3HB   ALA  69          3HB       ALA  69   8.630  -7.076  -2.207
  503    H    ALA  70           H        ALA  70   5.036  -5.699  -2.012
  504    HA   ALA  70           HA       ALA  70   6.332  -3.071  -1.992
  505   1HB   ALA  70          1HB       ALA  70   5.131  -3.815  -3.901
  506   2HB   ALA  70          2HB       ALA  70   3.608  -3.922  -2.976
  507   3HB   ALA  70          3HB       ALA  70   4.393  -2.341  -3.228
  508    H    ILE  71           H        ILE  71   3.590  -4.446  -0.203
  509    HA   ILE  71           HA       ILE  71   3.179  -1.964   1.317
  510    HB   ILE  71           HB       ILE  71   2.070  -4.757   1.369
  511   1HG1  ILE  71          1HG1      ILE  71   0.716  -2.032   1.483
  512   2HG1  ILE  71          2HG1      ILE  71   1.325  -2.702  -0.040
  513   1HG2  ILE  71          1HG2      ILE  71   2.354  -4.445   3.721
  514   2HG2  ILE  71          2HG2      ILE  71   1.786  -2.751   3.636
  515   3HG2  ILE  71          3HG2      ILE  71   0.672  -4.101   3.370
  516   1HD1  ILE  71          1HD1      ILE  71  -0.137  -4.568   0.056
  517   2HD1  ILE  71          2HD1      ILE  71  -0.735  -4.141   1.677
  518   3HD1  ILE  71          3HD1      ILE  71  -1.090  -3.092   0.298
  519    H    GLU  72           H        GLU  72   5.096  -4.939   1.779
  520    HA   GLU  72           HA       GLU  72   6.008  -4.094   4.365
  521   1HB   GLU  72          1HB       GLU  72   7.145  -6.008   4.597
  522   2HB   GLU  72          2HB       GLU  72   5.831  -6.478   3.532
  523   1HG   GLU  72          1HG       GLU  72   7.590  -7.468   2.412
  524   2HG   GLU  72          2HG       GLU  72   7.735  -5.861   1.689
  525    H    PHE  73           H        PHE  73   7.311  -3.505   1.151
  526    HA   PHE  73           HA       PHE  73   9.789  -2.512   1.572
  527   1HB   PHE  73          1HB       PHE  73   8.498  -2.453  -0.546
  528   2HB   PHE  73          2HB       PHE  73   7.558  -1.098   0.047
  529    HD1  PHE  73           HD1      PHE  73  10.651  -2.172  -1.519
  530    HD2  PHE  73           HD2      PHE  73   8.748   1.145   0.477
  531    HE1  PHE  73           HE1      PHE  73  12.408  -0.640  -2.365
  532    HE2  PHE  73           HE2      PHE  73  10.484   2.671  -0.398
  533    HZ   PHE  73           HZ       PHE  73  12.298   1.787  -1.869
  534    H    MET  74           H        MET  74   6.790  -0.727   2.364
  535    HA   MET  74           HA       MET  74   8.283   1.495   3.480
  536   1HB   MET  74          1HB       MET  74   5.346   0.816   3.319
  537   2HB   MET  74          2HB       MET  74   5.977   2.304   4.096
  538   1HG   MET  74          1HG       MET  74   5.390   3.019   1.942
  539   2HG   MET  74          2HG       MET  74   7.124   2.751   1.834
  540   1HE   MET  74          1HE       MET  74   3.672   0.655   1.251
  541   2HE   MET  74          2HE       MET  74   3.677   2.194   0.339
  542   3HE   MET  74          3HE       MET  74   3.790   0.650  -0.519
  543    H    SER  75           H        SER  75   5.649  -0.389   5.009
  544    HA   SER  75           HA       SER  75   7.273  -1.120   7.297
  545   1HB   SER  75          1HB       SER  75   6.409   1.466   7.504
  546   2HB   SER  75          2HB       SER  75   5.046   0.630   8.250
  547    HG   SER  75           HG       SER  75   6.770   1.164   9.714
  548    H    LYS  76           H        LYS  76   5.622  -2.442   5.371
  549    HA   LYS  76           HA       LYS  76   3.916  -3.893   5.114
  550   1HB   LYS  76          1HB       LYS  76   4.044  -5.829   6.495
  551   2HB   LYS  76          2HB       LYS  76   5.626  -5.191   6.129
  552   1HG   LYS  76          1HG       LYS  76   5.662  -4.125   8.431
  553   2HG   LYS  76          2HG       LYS  76   4.159  -5.008   8.745
  554   1HD   LYS  76          1HD       LYS  76   6.032  -6.230   9.661
  555   2HD   LYS  76          2HD       LYS  76   5.364  -7.157   8.305
  556   1HE   LYS  76          1HE       LYS  76   7.191  -6.503   6.840
  557   2HE   LYS  76          2HE       LYS  76   7.749  -5.267   7.977
  558   1HZ   LYS  76          1HZ       LYS  76   8.399  -7.034   9.459
  559   2HZ   LYS  76          2HZ       LYS  76   7.799  -8.180   8.437
  560   3HZ   LYS  76          3HZ       LYS  76   9.082  -7.263   7.978
  561    H    ALA  77           H        ALA  77   2.716  -1.623   5.642
  562    HA   ALA  77           HA       ALA  77   0.245  -2.569   6.876
  563   1HB   ALA  77          1HB       ALA  77   1.891  -1.554   8.653
  564   2HB   ALA  77          2HB       ALA  77   1.153  -0.029   8.178
  565   3HB   ALA  77          3HB       ALA  77   0.152  -1.384   8.748
  566    H    LYS  78           H        LYS  78   0.873   0.920   6.461
  567    HA   LYS  78           HA       LYS  78  -0.892   0.878   4.088
  568   1HB   LYS  78          1HB       LYS  78  -2.406   2.370   4.906
  569   2HB   LYS  78          2HB       LYS  78  -2.226   1.130   6.186
  570   1HG   LYS  78          1HG       LYS  78  -0.998   2.756   7.549
  571   2HG   LYS  78          2HG       LYS  78  -1.027   3.930   6.258
  572   1HD   LYS  78          1HD       LYS  78  -3.383   4.178   6.211
  573   2HD   LYS  78          2HD       LYS  78  -3.631   2.954   7.453
  574   1HE   LYS  78          1HE       LYS  78  -2.939   4.365   9.162
  575   2HE   LYS  78          2HE       LYS  78  -1.624   5.007   8.183
  576   1HZ   LYS  78          1HZ       LYS  78  -3.266   6.364   7.005
  577   2HZ   LYS  78          2HZ       LYS  78  -4.424   5.958   8.022
  578   3HZ   LYS  78          3HZ       LYS  78  -2.990   6.745   8.556
  579    HHA  HEC  90           HHA      HEC  90  -5.666   3.769   3.578
  580    HHB  HEC  90           HHB      HEC  90  -1.512  -0.249   0.749
  581    HHC  HEC  90           HHC      HEC  90  -2.200   2.887  -4.791
  582    HHD  HEC  90           HHD      HEC  90  -5.753   7.366  -1.741
  583   1HMA  HEC  90          1HMA      HEC  90  -3.373  -1.474   2.687
  584   2HMA  HEC  90          2HMA      HEC  90  -1.737  -0.817   2.834
  585   3HMA  HEC  90          3HMA      HEC  90  -2.830  -0.698   4.204
  586   1HAA  HEC  90          1HAA      HEC  90  -4.703   2.364   5.102
  587   2HAA  HEC  90          2HAA      HEC  90  -4.083   0.730   5.208
  588   1HBA  HEC  90          1HBA      HEC  90  -6.188  -0.164   4.294
  589   2HBA  HEC  90          2HBA      HEC  90  -6.841   1.495   4.316
  590   1HMB  HEC  90          1HMB      HEC  90  -0.202  -1.532  -1.541
  591   2HMB  HEC  90          2HMB      HEC  90   1.049  -0.386  -1.998
  592   3HMB  HEC  90          3HMB      HEC  90   0.450  -0.374  -0.367
  593    HAB  HEC  90           HAB      HEC  90  -0.755   1.348  -5.115
  594   1HBB  HEC  90          1HBB      HEC  90  -1.497  -1.047  -4.440
  595   2HBB  HEC  90          2HBB      HEC  90  -0.264  -0.851  -5.710
  596   3HBB  HEC  90          3HBB      HEC  90   0.205  -1.309  -4.063
  597   1HMC  HEC  90          1HMC      HEC  90  -4.455   4.786  -6.535
  598   2HMC  HEC  90          2HMC      HEC  90  -3.102   5.946  -6.383
  599   3HMC  HEC  90          3HMC      HEC  90  -2.817   4.241  -6.257
  600    HAC  HEC  90           HAC      HEC  90  -6.193   7.375  -4.140
  601   1HBC  HEC  90          1HBC      HEC  90  -5.518   6.742  -6.463
  602   2HBC  HEC  90          2HBC      HEC  90  -5.728   8.469  -6.165
  603   3HBC  HEC  90          3HBC      HEC  90  -4.101   7.828  -6.246
  604   1HMD  HEC  90          1HMD      HEC  90  -7.518   8.033  -0.104
  605   2HMD  HEC  90          2HMD      HEC  90  -7.274   8.437   1.610
  606   3HMD  HEC  90          3HMD      HEC  90  -6.037   8.824   0.415
  607   1HAD  HEC  90          1HAD      HEC  90  -7.471   5.249   3.518
  608   2HAD  HEC  90          2HAD      HEC  90  -7.689   6.948   3.192
  609   1HBD  HEC  90          1HBD      HEC  90  -5.928   7.604   4.578
  610   2HBD  HEC  90          2HBD      HEC  90  -5.062   6.077   4.388
  Start of MODEL   21
    1   1H    ALA  -3          1H        ALA  -3   7.012   0.219 -14.795
    2   2H    ALA  -3          2H        ALA  -3   6.233   1.567 -14.272
    3   3H    ALA  -3          3H        ALA  -3   6.007   0.146 -13.493
    4    HA   ALA  -3           HA       ALA  -3   4.081   0.503 -14.830
    5   1HB   ALA  -3          1HB       ALA  -3   5.129   2.199 -16.306
    6   2HB   ALA  -3          2HB       ALA  -3   6.023   0.908 -17.135
    7   3HB   ALA  -3          3HB       ALA  -3   4.251   0.968 -17.222
    8    H    ASP  -2           H        ASP  -2   5.422  -1.815 -13.766
    9    HA   ASP  -2           HA       ASP  -2   4.493  -3.854 -15.518
   10   1HB   ASP  -2          1HB       ASP  -2   6.648  -3.201 -16.670
   11   2HB   ASP  -2          2HB       ASP  -2   7.520  -3.534 -15.160
   12    H    LEU  -1           H        LEU  -1   4.101  -5.680 -14.261
   13    HA   LEU  -1           HA       LEU  -1   4.603  -5.453 -11.358
   14   1HB   LEU  -1          1HB       LEU  -1   2.391  -6.106 -12.102
   15   2HB   LEU  -1          2HB       LEU  -1   3.088  -7.498 -12.951
   16    HG   LEU  -1           HG       LEU  -1   4.123  -7.840 -10.375
   17   1HD1  LEU  -1          1HD1      LEU  -1   2.771  -5.896  -9.598
   18   2HD1  LEU  -1          2HD1      LEU  -1   1.322  -6.862  -9.999
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.475  -7.428  -8.765
   20   1HD2  LEU  -1          1HD2      LEU  -1   1.507  -8.843 -11.524
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.100  -9.595 -11.724
   22   3HD2  LEU  -1          3HD2      LEU  -1   2.343  -9.554 -10.120
   23    H    GLN   1           H        GLN   1   6.969  -5.533 -12.131
   24    HA   GLN   1           HA       GLN   1   7.896  -8.375 -12.109
   25   1HB   GLN   1          1HB       GLN   1   8.583  -6.100 -13.772
   26   2HB   GLN   1          2HB       GLN   1   9.980  -6.416 -12.748
   27   1HG   GLN   1          1HG       GLN   1  10.241  -7.634 -14.786
   28   2HG   GLN   1          2HG       GLN   1   9.926  -8.819 -13.506
   29   1HE2  GLN   1          1HE2      GLN   1   9.622  -9.596 -16.150
   30   2HE2  GLN   1          2HE2      GLN   1   7.893  -9.730 -16.485
   31    H    ASP   2           H        ASP   2   7.750  -5.698 -10.113
   32    HA   ASP   2           HA       ASP   2   9.693  -6.895  -8.202
   33   1HB   ASP   2          1HB       ASP   2  10.851  -5.280  -9.747
   34   2HB   ASP   2          2HB       ASP   2   9.801  -3.992  -9.154
   35    H    ALA   3           H        ALA   3   9.406  -4.224  -6.857
   36    HA   ALA   3           HA       ALA   3   6.730  -4.223  -5.596
   37   1HB   ALA   3          1HB       ALA   3   7.990  -5.721  -4.287
   38   2HB   ALA   3          2HB       ALA   3   9.475  -4.749  -4.374
   39   3HB   ALA   3          3HB       ALA   3   8.102  -4.157  -3.432
   40    H    GLU   4           H        GLU   4  10.076  -2.762  -5.774
   41    HA   GLU   4           HA       GLU   4   9.373  -0.173  -4.841
   42   1HB   GLU   4          1HB       GLU   4  11.657  -0.824  -4.992
   43   2HB   GLU   4          2HB       GLU   4  11.555  -1.135  -6.730
   44   1HG   GLU   4          1HG       GLU   4  11.183   1.249  -7.188
   45   2HG   GLU   4          2HG       GLU   4  11.024   1.605  -5.462
   46    H    ALA   5           H        ALA   5   9.473  -1.603  -8.102
   47    HA   ALA   5           HA       ALA   5   8.669   0.808  -9.470
   48   1HB   ALA   5          1HB       ALA   5   9.911  -1.009 -10.560
   49   2HB   ALA   5          2HB       ALA   5   8.511  -2.093 -10.372
   50   3HB   ALA   5          3HB       ALA   5   8.394  -0.657 -11.415
   51    H    ILE   6           H        ILE   6   6.892  -1.803  -7.941
   52    HA   ILE   6           HA       ILE   6   4.309  -1.265  -9.171
   53    HB   ILE   6           HB       ILE   6   5.290  -2.821  -6.770
   54   1HG1  ILE   6          1HG1      ILE   6   4.455  -4.748  -7.948
   55   2HG1  ILE   6          2HG1      ILE   6   3.734  -3.744  -9.218
   56   1HG2  ILE   6          1HG2      ILE   6   3.113  -1.955  -6.028
   57   2HG2  ILE   6          2HG2      ILE   6   2.379  -2.389  -7.588
   58   3HG2  ILE   6          3HG2      ILE   6   2.937  -3.650  -6.471
   59   1HD1  ILE   6          1HD1      ILE   6   5.864  -3.202 -10.134
   60   2HD1  ILE   6          2HD1      ILE   6   6.723  -3.741  -8.676
   61   3HD1  ILE   6          3HD1      ILE   6   5.952  -4.927  -9.727
   62    H    TYR   7           H        TYR   7   5.798  -0.436  -5.909
   63    HA   TYR   7           HA       TYR   7   3.513   1.221  -5.420
   64   1HB   TYR   7          1HB       TYR   7   4.291   1.681  -3.354
   65   2HB   TYR   7          2HB       TYR   7   5.189   0.211  -3.671
   66    HD1  TYR   7           HD1      TYR   7   7.591   0.302  -3.569
   67    HD2  TYR   7           HD2      TYR   7   5.315   3.955  -3.613
   68    HE1  TYR   7           HE1      TYR   7   9.700   1.638  -3.473
   69    HE2  TYR   7           HE2      TYR   7   7.412   5.269  -3.488
   70    HH   TYR   7           HH       TYR   7   9.693   5.188  -3.584
   71    H    ASN   8           H        ASN   8   6.713   1.927  -6.687
   72    HA   ASN   8           HA       ASN   8   6.441   4.744  -6.770
   73   1HB   ASN   8          1HB       ASN   8   8.548   3.416  -6.754
   74   2HB   ASN   8          2HB       ASN   8   8.208   2.906  -8.421
   75   1HD2  ASN   8          1HD2      ASN   8  10.213   3.812  -9.110
   76   2HD2  ASN   8          2HD2      ASN   8  10.371   5.556  -9.239
   77    H    LYS   9           H        LYS   9   5.306   2.279  -9.071
   78    HA   LYS   9           HA       LYS   9   4.338   4.453 -10.844
   79   1HB   LYS   9          1HB       LYS   9   5.262   2.230 -11.711
   80   2HB   LYS   9          2HB       LYS   9   3.771   1.494 -11.103
   81   1HG   LYS   9          1HG       LYS   9   3.399   1.980 -13.419
   82   2HG   LYS   9          2HG       LYS   9   2.473   3.150 -12.534
   83   1HD   LYS   9          1HD       LYS   9   5.047   4.359 -12.850
   84   2HD   LYS   9          2HD       LYS   9   4.772   3.576 -14.382
   85   1HE   LYS   9          1HE       LYS   9   2.631   5.338 -13.093
   86   2HE   LYS   9          2HE       LYS   9   3.985   6.051 -13.966
   87   1HZ   LYS   9          1HZ       LYS   9   3.358   4.879 -15.925
   88   2HZ   LYS   9          2HZ       LYS   9   2.132   4.091 -15.154
   89   3HZ   LYS   9          3HZ       LYS   9   2.061   5.720 -15.375
   90    H    ALA  10           H        ALA  10   3.046   2.503  -8.226
   91    HA   ALA  10           HA       ALA  10   0.242   3.165  -9.081
   92   1HB   ALA  10          1HB       ALA  10   0.854   0.768  -9.019
   93   2HB   ALA  10          2HB       ALA  10   1.165   0.909  -7.272
   94   3HB   ALA  10          3HB       ALA  10  -0.452   1.199  -7.905
   95    H    CYS  11           H        CYS  11   1.915   2.515  -5.942
   96    HA   CYS  11           HA       CYS  11   0.026   4.236  -4.515
   97   1HB   CYS  11          1HB       CYS  11   2.466   3.302  -3.144
   98   2HB   CYS  11          2HB       CYS  11   0.789   3.255  -2.628
   99    H    THR  12           H        THR  12   1.220   5.714  -6.503
  100    HA   THR  12           HA       THR  12   3.493   7.213  -5.258
  101    HB   THR  12           HB       THR  12   4.042   5.710  -7.158
  102    HG1  THR  12           HG1      THR  12   4.360   8.490  -7.443
  103   1HG2  THR  12          1HG2      THR  12   1.969   6.150  -8.553
  104   2HG2  THR  12          2HG2      THR  12   2.579   7.793  -8.855
  105   3HG2  THR  12          3HG2      THR  12   3.491   6.407  -9.427
  106    H    VAL  13           H        VAL  13   0.270   7.686  -6.181
  107    HA   VAL  13           HA       VAL  13   0.740  10.546  -6.956
  108    HB   VAL  13           HB       VAL  13  -1.483  10.462  -7.920
  109   1HG1  VAL  13          1HG1      VAL  13   0.531   9.825  -9.275
  110   2HG1  VAL  13          2HG1      VAL  13   0.188   8.117  -8.923
  111   3HG1  VAL  13          3HG1      VAL  13  -0.972   9.080  -9.848
  112   1HG2  VAL  13          1HG2      VAL  13  -1.512   7.519  -7.112
  113   2HG2  VAL  13          2HG2      VAL  13  -2.648   8.785  -6.586
  114   3HG2  VAL  13          3HG2      VAL  13  -2.628   8.255  -8.267
  115    H    CYS  14           H        CYS  14  -1.110   8.359  -4.885
  116    HA   CYS  14           HA       CYS  14  -2.153  10.509  -3.191
  117   1HB   CYS  14          1HB       CYS  14  -2.355   7.489  -3.398
  118   2HB   CYS  14          2HB       CYS  14  -3.084   8.394  -2.062
  119    H    HIS  15           H        HIS  15  -0.252   7.537  -2.588
  120    HA   HIS  15           HA       HIS  15   0.340   8.309   0.111
  121   1HB   HIS  15          1HB       HIS  15   1.286   6.080  -1.715
  122   2HB   HIS  15          2HB       HIS  15   1.778   6.227  -0.036
  123    HD1  HIS  15           HD1      HIS  15  -0.244   6.164   1.790
  124    HD2  HIS  15           HD2      HIS  15  -1.073   4.954  -2.145
  125    HE1  HIS  15           HE1      HIS  15  -2.298   4.589   1.901
  126    H    SER  16           H        SER  16   2.167   8.773  -2.824
  127    HA   SER  16           HA       SER  16   4.802   9.012  -1.728
  128   1HB   SER  16          1HB       SER  16   4.541   8.781  -4.088
  129   2HB   SER  16          2HB       SER  16   3.506  10.227  -4.194
  130    HG   SER  16           HG       SER  16   5.697  10.632  -4.805
  131    H    MET  17           H        MET  17   2.346  11.525  -2.420
  132    HA   MET  17           HA       MET  17   3.898  13.504  -0.782
  133   1HB   MET  17          1HB       MET  17   1.746  13.799  -2.882
  134   2HB   MET  17          2HB       MET  17   2.439  15.145  -1.964
  135   1HG   MET  17          1HG       MET  17   4.105  13.301  -3.759
  136   2HG   MET  17          2HG       MET  17   3.316  14.780  -4.278
  137   1HE   MET  17          1HE       MET  17   5.981  13.643  -1.437
  138   2HE   MET  17          2HE       MET  17   6.567  13.320  -3.088
  139   3HE   MET  17          3HE       MET  17   7.304  14.608  -2.110
  140    H    GLY  18           H        GLY  18   1.005  11.528  -0.710
  141   1HA   GLY  18          1HA       GLY  18  -0.343  11.198   1.152
  142   2HA   GLY  18          2HA       GLY  18   0.322  12.636   1.933
  143    H    VAL  19           H        VAL  19  -1.324  12.008  -1.161
  144    HA   VAL  19           HA       VAL  19  -3.088  14.382  -0.799
  145    HB   VAL  19           HB       VAL  19  -2.262  12.840  -3.293
  146   1HG1  VAL  19          1HG1      VAL  19  -4.465  13.769  -3.732
  147   2HG1  VAL  19          2HG1      VAL  19  -4.000  15.327  -2.995
  148   3HG1  VAL  19          3HG1      VAL  19  -3.270  14.790  -4.517
  149   1HG2  VAL  19          1HG2      VAL  19  -1.503  15.621  -2.295
  150   2HG2  VAL  19          2HG2      VAL  19  -0.436  14.206  -2.330
  151   3HG2  VAL  19          3HG2      VAL  19  -1.017  14.902  -3.845
  152    H    ALA  20           H        ALA  20  -5.306  14.104  -1.680
  153    HA   ALA  20           HA       ALA  20  -7.374  13.212  -1.424
  154   1HB   ALA  20          1HB       ALA  20  -6.611  11.824  -3.288
  155   2HB   ALA  20          2HB       ALA  20  -6.058  10.583  -2.144
  156   3HB   ALA  20          3HB       ALA  20  -7.783  10.982  -2.259
  157    H    GLY  21           H        GLY  21  -5.424  13.163   0.908
  158   1HA   GLY  21          1HA       GLY  21  -5.748  12.825   3.193
  159   2HA   GLY  21          2HA       GLY  21  -7.152  11.801   2.873
  160    H    ALA  22           H        ALA  22  -4.406  10.884   0.951
  161    HA   ALA  22           HA       ALA  22  -4.317   8.380   2.216
  162   1HB   ALA  22          1HB       ALA  22  -3.886   8.731  -0.118
  163   2HB   ALA  22          2HB       ALA  22  -2.390   9.627   0.236
  164   3HB   ALA  22          3HB       ALA  22  -2.503   7.894   0.609
  165    HA   PRO  23           HA       PRO  23  -1.155   9.050   5.359
  166   1HB   PRO  23          1HB       PRO  23  -0.672   6.530   6.086
  167   2HB   PRO  23          2HB       PRO  23  -2.342   7.211   6.213
  168   1HG   PRO  23          1HG       PRO  23  -1.224   5.600   3.943
  169   2HG   PRO  23          2HG       PRO  23  -2.685   5.241   4.966
  170   1HD   PRO  23          1HD       PRO  23  -2.994   6.585   2.619
  171   2HD   PRO  23          2HD       PRO  23  -3.842   7.076   4.102
  172    H    LYS  24           H        LYS  24   1.116   8.802   5.686
  173    HA   LYS  24           HA       LYS  24   2.502   8.606   3.047
  174   1HB   LYS  24          1HB       LYS  24   3.285  10.109   5.566
  175   2HB   LYS  24          2HB       LYS  24   4.066  10.180   3.979
  176   1HG   LYS  24          1HG       LYS  24   2.744  11.989   3.624
  177   2HG   LYS  24          2HG       LYS  24   1.495  10.798   3.266
  178   1HD   LYS  24          1HD       LYS  24   0.878  10.884   5.777
  179   2HD   LYS  24          2HD       LYS  24   2.023  12.223   5.924
  180   1HE   LYS  24          1HE       LYS  24   0.715  13.484   4.176
  181   2HE   LYS  24          2HE       LYS  24  -0.421  12.126   4.085
  182   1HZ   LYS  24          1HZ       LYS  24  -0.945  12.475   6.403
  183   2HZ   LYS  24          2HZ       LYS  24   0.060  13.780   6.469
  184   3HZ   LYS  24          3HZ       LYS  24  -1.274  13.811   5.503
  185    H    SER  25           H        SER  25   4.411   7.440   2.754
  186    HA   SER  25           HA       SER  25   5.075   5.338   4.665
  187   1HB   SER  25          1HB       SER  25   6.817   4.915   2.840
  188   2HB   SER  25          2HB       SER  25   5.092   4.809   2.404
  189    HG   SER  25           HG       SER  25   6.445   6.107   0.925
  190    H    HIS  26           H        HIS  26   5.398   7.386   6.171
  191    HA   HIS  26           HA       HIS  26   8.288   7.388   6.679
  192   1HB   HIS  26          1HB       HIS  26   8.816   9.613   6.578
  193   2HB   HIS  26          2HB       HIS  26   7.740   9.477   5.192
  194    HD1  HIS  26           HD1      HIS  26   5.361  10.794   5.465
  195    HD2  HIS  26           HD2      HIS  26   7.978  10.980   8.750
  196    HE1  HIS  26           HE1      HIS  26   4.374  12.499   7.097
  197    H    ASN  27           H        ASN  27   5.144   8.464   7.822
  198    HA   ASN  27           HA       ASN  27   6.040   8.998  10.560
  199   1HB   ASN  27          1HB       ASN  27   3.422   9.002  10.873
  200   2HB   ASN  27          2HB       ASN  27   4.209  10.331   9.996
  201   1HD2  ASN  27          1HD2      ASN  27   3.401   7.021   8.842
  202   2HD2  ASN  27          2HD2      ASN  27   2.464   7.606   7.482
  203    H    THR  28           H        THR  28   5.627   7.602  12.370
  204    HA   THR  28           HA       THR  28   5.207   4.746  11.579
  205    HB   THR  28           HB       THR  28   7.141   5.223  12.879
  206    HG1  THR  28           HG1      THR  28   5.487   3.951  14.718
  207   1HG2  THR  28          1HG2      THR  28   6.559   7.174  14.214
  208   2HG2  THR  28          2HG2      THR  28   5.254   6.287  15.033
  209   3HG2  THR  28          3HG2      THR  28   6.940   5.823  15.293
  210    H    ALA  29           H        ALA  29   3.586   7.337  13.405
  211    HA   ALA  29           HA       ALA  29   1.728   5.754  14.794
  212   1HB   ALA  29          1HB       ALA  29   2.151   8.107  15.249
  213   2HB   ALA  29          2HB       ALA  29   1.392   8.558  13.695
  214   3HB   ALA  29          3HB       ALA  29   0.420   7.796  14.980
  215    H    ASP  30           H        ASP  30   1.604   6.721  11.356
  216    HA   ASP  30           HA       ASP  30  -1.188   5.995  11.034
  217   1HB   ASP  30          1HB       ASP  30   0.449   7.654   9.727
  218   2HB   ASP  30          2HB       ASP  30   0.809   6.200   8.777
  219    H    TRP  31           H        TRP  31   1.918   4.407  10.890
  220    HA   TRP  31           HA       TRP  31   0.908   1.986   9.516
  221   1HB   TRP  31          1HB       TRP  31   3.635   3.072  10.218
  222   2HB   TRP  31          2HB       TRP  31   3.393   1.405   9.632
  223    HD1  TRP  31           HD1      TRP  31   3.065   5.065   8.607
  224    HE1  TRP  31           HE1      TRP  31   3.079   5.394   6.136
  225    HE3  TRP  31           HE3      TRP  31   3.167   0.141   7.242
  226    HZ2  TRP  31           HZ2      TRP  31   2.910   3.728   3.783
  227    HZ3  TRP  31           HZ3      TRP  31   3.173  -0.430   4.824
  228    HH2  TRP  31           HH2      TRP  31   2.687   1.342   3.144
  229    H    GLU  32           H        GLU  32   1.910   2.997  12.798
  230    HA   GLU  32           HA       GLU  32   2.202   0.542  14.068
  231   1HB   GLU  32          1HB       GLU  32   1.261   3.277  14.898
  232   2HB   GLU  32          2HB       GLU  32   1.153   1.950  16.063
  233   1HG   GLU  32          1HG       GLU  32   3.489   1.543  16.022
  234   2HG   GLU  32          2HG       GLU  32   3.720   2.484  14.542
  235    HA   PRO  33           HA       PRO  33  -2.464   0.045  14.997
  236   1HB   PRO  33          1HB       PRO  33  -4.357   1.474  13.626
  237   2HB   PRO  33          2HB       PRO  33  -3.551   2.081  15.100
  238   1HG   PRO  33          1HG       PRO  33  -2.774   2.667  12.224
  239   2HG   PRO  33          2HG       PRO  33  -3.067   3.846  13.535
  240   1HD   PRO  33          1HD       PRO  33  -0.598   3.041  12.936
  241   2HD   PRO  33          2HD       PRO  33  -1.067   3.230  14.653
  242    H    ARG  34           H        ARG  34  -0.837   0.020  12.030
  243    HA   ARG  34           HA       ARG  34  -2.768  -1.836  10.742
  244   1HB   ARG  34          1HB       ARG  34  -0.312  -0.449   9.596
  245   2HB   ARG  34          2HB       ARG  34  -1.528  -1.349   8.714
  246   1HG   ARG  34          1HG       ARG  34  -2.204   1.181  10.310
  247   2HG   ARG  34          2HG       ARG  34  -1.653   1.241   8.661
  248   1HD   ARG  34          1HD       ARG  34  -3.601   0.316   7.784
  249   2HD   ARG  34          2HD       ARG  34  -3.899  -0.646   9.224
  250    HE   ARG  34           HE       ARG  34  -5.160   0.964  10.147
  251   1HH1  ARG  34          2HH1      ARG  34  -3.260   2.727   7.809
  252   2HH1  ARG  34          1HH1      ARG  34  -4.498   3.919   7.481
  253   1HH2  ARG  34          1HH2      ARG  34  -6.752   2.514   9.766
  254   2HH2  ARG  34          2HH2      ARG  34  -6.431   3.821   8.663
  255    H    LEU  35           H        LEU  35   0.721  -1.484  11.504
  256    HA   LEU  35           HA       LEU  35   1.439  -4.213  11.175
  257   1HB   LEU  35          1HB       LEU  35   2.703  -1.725  12.007
  258   2HB   LEU  35          2HB       LEU  35   3.090  -2.945  13.198
  259    HG   LEU  35           HG       LEU  35   3.756  -2.958  10.255
  260   1HD1  LEU  35          1HD1      LEU  35   5.173  -1.635  11.760
  261   2HD1  LEU  35          2HD1      LEU  35   5.485  -3.087  12.739
  262   3HD1  LEU  35          3HD1      LEU  35   6.044  -3.006  11.056
  263   1HD2  LEU  35          1HD2      LEU  35   4.087  -5.244  12.252
  264   2HD2  LEU  35          2HD2      LEU  35   3.211  -5.308  10.702
  265   3HD2  LEU  35          3HD2      LEU  35   4.952  -5.127  10.706
  266    H    ALA  36           H        ALA  36  -0.562  -2.998  13.559
  267    HA   ALA  36           HA       ALA  36   0.485  -4.597  15.817
  268   1HB   ALA  36          1HB       ALA  36  -0.262  -2.319  16.293
  269   2HB   ALA  36          2HB       ALA  36  -1.855  -2.655  15.578
  270   3HB   ALA  36          3HB       ALA  36  -1.352  -3.483  17.068
  271    H    LYS  37           H        LYS  37  -2.210  -4.354  13.550
  272    HA   LYS  37           HA       LYS  37  -3.616  -6.665  14.613
  273   1HB   LYS  37          1HB       LYS  37  -3.934  -4.879  12.186
  274   2HB   LYS  37          2HB       LYS  37  -4.938  -6.309  12.402
  275   1HG   LYS  37          1HG       LYS  37  -4.696  -4.305  14.659
  276   2HG   LYS  37          2HG       LYS  37  -5.724  -3.918  13.292
  277   1HD   LYS  37          1HD       LYS  37  -6.009  -6.447  15.011
  278   2HD   LYS  37          2HD       LYS  37  -6.917  -4.956  15.212
  279   1HE   LYS  37          1HE       LYS  37  -8.467  -5.879  13.873
  280   2HE   LYS  37          2HE       LYS  37  -7.411  -5.371  12.557
  281   1HZ   LYS  37          1HZ       LYS  37  -6.413  -7.619  12.658
  282   2HZ   LYS  37          2HZ       LYS  37  -7.487  -8.041  13.826
  283   3HZ   LYS  37          3HZ       LYS  37  -8.015  -7.666  12.317
  284    H    GLY  38           H        GLY  38  -1.602  -5.926  11.728
  285   1HA   GLY  38          1HA       GLY  38  -0.120  -8.265  11.587
  286   2HA   GLY  38          2HA       GLY  38  -1.624  -8.672  10.752
  287    H    VAL  39           H        VAL  39  -1.027  -8.659   8.586
  288    HA   VAL  39           HA       VAL  39  -0.067  -6.052   7.457
  289    HB   VAL  39           HB       VAL  39   1.164  -8.782   6.843
  290   1HG1  VAL  39          1HG1      VAL  39   1.060  -7.372   4.836
  291   2HG1  VAL  39          2HG1      VAL  39   1.750  -6.007   5.729
  292   3HG1  VAL  39          3HG1      VAL  39   2.728  -7.451   5.428
  293   1HG2  VAL  39          1HG2      VAL  39   2.249  -6.383   8.353
  294   2HG2  VAL  39          2HG2      VAL  39   2.070  -8.043   8.945
  295   3HG2  VAL  39          3HG2      VAL  39   3.275  -7.679   7.706
  296    H    ASP  40           H        ASP  40  -1.084  -9.347   6.622
  297    HA   ASP  40           HA       ASP  40  -2.167  -8.999   4.075
  298   1HB   ASP  40          1HB       ASP  40  -3.497 -11.035   4.835
  299   2HB   ASP  40          2HB       ASP  40  -1.744 -11.156   5.011
  300    H    ASN  41           H        ASN  41  -3.600  -8.301   7.262
  301    HA   ASN  41           HA       ASN  41  -6.240  -7.743   6.614
  302   1HB   ASN  41          1HB       ASN  41  -4.684  -5.680   8.214
  303   2HB   ASN  41          2HB       ASN  41  -6.306  -6.207   8.527
  304   1HD2  ASN  41          1HD2      ASN  41  -3.359  -6.158   9.779
  305   2HD2  ASN  41          2HD2      ASN  41  -3.453  -7.599  10.773
  306    H    LEU  42           H        LEU  42  -3.473  -5.879   5.633
  307    HA   LEU  42           HA       LEU  42  -5.164  -3.702   4.505
  308   1HB   LEU  42          1HB       LEU  42  -2.202  -4.056   5.057
  309   2HB   LEU  42          2HB       LEU  42  -2.873  -2.722   4.185
  310    HG   LEU  42           HG       LEU  42  -2.772  -1.757   6.277
  311   1HD1  LEU  42          1HD1      LEU  42  -5.181  -1.743   5.704
  312   2HD1  LEU  42          2HD1      LEU  42  -5.405  -3.189   6.722
  313   3HD1  LEU  42          3HD1      LEU  42  -4.872  -1.677   7.437
  314   1HD2  LEU  42          1HD2      LEU  42  -3.047  -4.528   7.432
  315   2HD2  LEU  42          2HD2      LEU  42  -1.663  -3.449   7.452
  316   3HD2  LEU  42          3HD2      LEU  42  -3.093  -3.065   8.429
  317    H    VAL  43           H        VAL  43  -2.870  -6.270   3.520
  318    HA   VAL  43           HA       VAL  43  -2.864  -5.617   0.760
  319    HB   VAL  43           HB       VAL  43  -1.576  -7.491   2.145
  320   1HG1  VAL  43          1HG1      VAL  43  -3.596  -9.067   2.245
  321   2HG1  VAL  43          2HG1      VAL  43  -3.528  -9.150   0.479
  322   3HG1  VAL  43          3HG1      VAL  43  -2.166  -9.727   1.447
  323   1HG2  VAL  43          1HG2      VAL  43  -2.161  -7.629  -0.837
  324   2HG2  VAL  43          2HG2      VAL  43  -0.946  -6.594  -0.073
  325   3HG2  VAL  43          3HG2      VAL  43  -0.771  -8.351  -0.009
  326    H    LYS  44           H        LYS  44  -5.277  -7.369   2.780
  327    HA   LYS  44           HA       LYS  44  -7.031  -7.912   0.614
  328   1HB   LYS  44          1HB       LYS  44  -8.842  -8.155   2.253
  329   2HB   LYS  44          2HB       LYS  44  -7.437  -9.207   2.454
  330   1HG   LYS  44          1HG       LYS  44  -6.842  -8.342   4.417
  331   2HG   LYS  44          2HG       LYS  44  -7.228  -6.683   3.927
  332   1HD   LYS  44          1HD       LYS  44  -9.417  -8.675   4.557
  333   2HD   LYS  44          2HD       LYS  44  -8.551  -7.831   5.857
  334   1HE   LYS  44          1HE       LYS  44  -9.103  -5.645   4.975
  335   2HE   LYS  44          2HE       LYS  44  -9.889  -6.345   3.551
  336   1HZ   LYS  44          1HZ       LYS  44 -11.534  -7.326   5.015
  337   2HZ   LYS  44          2HZ       LYS  44 -10.784  -6.706   6.341
  338   3HZ   LYS  44          3HZ       LYS  44 -11.477  -5.696   5.245
  339    H    SER  45           H        SER  45  -6.778  -4.923   2.608
  340    HA   SER  45           HA       SER  45  -9.219  -3.768   1.551
  341   1HB   SER  45          1HB       SER  45  -6.799  -2.448   2.844
  342   2HB   SER  45          2HB       SER  45  -8.379  -1.695   2.543
  343    HG   SER  45           HG       SER  45  -8.243  -2.499   4.674
  344    H    VAL  46           H        VAL  46  -5.812  -3.896   0.626
  345    HA   VAL  46           HA       VAL  46  -5.892  -1.958  -1.429
  346    HB   VAL  46           HB       VAL  46  -4.106  -4.257  -0.722
  347   1HG1  VAL  46          1HG1      VAL  46  -3.937  -4.278  -3.111
  348   2HG1  VAL  46          2HG1      VAL  46  -3.807  -2.500  -3.176
  349   3HG1  VAL  46          3HG1      VAL  46  -2.505  -3.466  -2.442
  350   1HG2  VAL  46          1HG2      VAL  46  -3.522  -1.332  -0.986
  351   2HG2  VAL  46          2HG2      VAL  46  -4.134  -2.079   0.517
  352   3HG2  VAL  46          3HG2      VAL  46  -2.564  -2.575  -0.148
  353    H    LYS  47           H        LYS  47  -6.114  -5.534  -1.674
  354    HA   LYS  47           HA       LYS  47  -6.681  -5.608  -4.425
  355   1HB   LYS  47          1HB       LYS  47  -6.977  -7.808  -4.211
  356   2HB   LYS  47          2HB       LYS  47  -6.153  -7.406  -2.699
  357   1HG   LYS  47          1HG       LYS  47  -8.708  -7.165  -1.846
  358   2HG   LYS  47          2HG       LYS  47  -9.044  -8.222  -3.202
  359   1HD   LYS  47          1HD       LYS  47  -6.783  -8.819  -1.270
  360   2HD   LYS  47          2HD       LYS  47  -8.464  -8.966  -0.709
  361   1HE   LYS  47          1HE       LYS  47  -8.747 -10.477  -2.898
  362   2HE   LYS  47          2HE       LYS  47  -6.990 -10.641  -2.755
  363   1HZ   LYS  47          1HZ       LYS  47  -7.371 -11.417  -0.469
  364   2HZ   LYS  47          2HZ       LYS  47  -8.997 -11.292  -0.685
  365   3HZ   LYS  47          3HZ       LYS  47  -8.135 -12.383  -1.560
  366    H    THR  48           H        THR  48  -8.884  -5.069  -1.723
  367    HA   THR  48           HA       THR  48 -11.324  -5.131  -3.205
  368    HB   THR  48           HB       THR  48 -10.502  -3.917  -0.544
  369    HG1  THR  48           HG1      THR  48 -11.713  -5.760   0.153
  370   1HG2  THR  48          1HG2      THR  48 -12.497  -2.677  -1.183
  371   2HG2  THR  48          2HG2      THR  48 -13.318  -4.181  -1.659
  372   3HG2  THR  48          3HG2      THR  48 -12.913  -3.873   0.044
  373    H    GLY  49           H        GLY  49  -9.005  -2.456  -2.612
  374   1HA   GLY  49          1HA       GLY  49  -9.002  -0.309  -3.480
  375   2HA   GLY  49          2HA       GLY  49 -10.484  -0.593  -4.391
  376    H    LEU  50           H        LEU  50  -9.229   0.978  -1.793
  377    HA   LEU  50           HA       LEU  50 -11.688   1.251  -0.253
  378   1HB   LEU  50          1HB       LEU  50  -9.310   1.539   0.527
  379   2HB   LEU  50          2HB       LEU  50  -9.243   3.076  -0.309
  380    HG   LEU  50           HG       LEU  50 -10.815   4.058   1.242
  381   1HD1  LEU  50          1HD1      LEU  50 -12.447   2.218   1.608
  382   2HD1  LEU  50          2HD1      LEU  50 -11.174   1.227   2.357
  383   3HD1  LEU  50          3HD1      LEU  50 -11.745   2.704   3.154
  384   1HD2  LEU  50          1HD2      LEU  50  -8.936   2.229   2.763
  385   2HD2  LEU  50          2HD2      LEU  50  -8.424   3.675   1.877
  386   3HD2  LEU  50          3HD2      LEU  50  -9.525   3.824   3.273
  387    H    ASN  51           H        ASN  51 -12.152   3.979  -0.134
  388    HA   ASN  51           HA       ASN  51 -13.942   4.121  -2.305
  389   1HB   ASN  51          1HB       ASN  51 -13.232   6.531  -0.583
  390   2HB   ASN  51          2HB       ASN  51 -14.763   6.134  -1.351
  391   1HD2  ASN  51          1HD2      ASN  51 -12.588   5.625   1.328
  392   2HD2  ASN  51          2HD2      ASN  51 -13.430   4.295   2.080
  393    H    ALA  52           H        ALA  52 -11.416   6.474  -1.604
  394    HA   ALA  52           HA       ALA  52 -11.225   7.633  -4.242
  395   1HB   ALA  52          1HB       ALA  52 -10.543   8.789  -2.176
  396   2HB   ALA  52          2HB       ALA  52  -9.286   7.568  -1.895
  397   3HB   ALA  52          3HB       ALA  52  -9.165   8.662  -3.293
  398    H    MET  53           H        MET  53  -9.441   5.080  -2.558
  399    HA   MET  53           HA       MET  53  -7.324   4.743  -4.386
  400   1HB   MET  53          1HB       MET  53  -7.397   4.335  -1.961
  401   2HB   MET  53          2HB       MET  53  -8.450   2.941  -2.260
  402   1HG   MET  53          1HG       MET  53  -6.730   1.695  -3.264
  403   2HG   MET  53          2HG       MET  53  -5.687   3.098  -3.449
  404   1HE   MET  53          1HE       MET  53  -6.557   0.131  -1.286
  405   2HE   MET  53          2HE       MET  53  -4.971   0.259  -2.100
  406   3HE   MET  53          3HE       MET  53  -5.074   0.193  -0.318
  407    HA   PRO  54           HA       PRO  54  -9.756   2.277  -7.296
  408   1HB   PRO  54          1HB       PRO  54  -7.774   1.482  -9.055
  409   2HB   PRO  54          2HB       PRO  54  -8.415   3.152  -8.980
  410   1HG   PRO  54          1HG       PRO  54  -5.993   2.048  -7.544
  411   2HG   PRO  54          2HG       PRO  54  -6.048   3.489  -8.616
  412   1HD   PRO  54          1HD       PRO  54  -6.194   3.736  -5.958
  413   2HD   PRO  54          2HD       PRO  54  -7.304   4.709  -6.987
  414    HA   PRO  55           HA       PRO  55  -9.450  -1.904  -5.810
  415   1HB   PRO  55          1HB       PRO  55 -10.135  -3.428  -7.978
  416   2HB   PRO  55          2HB       PRO  55 -11.296  -2.406  -7.082
  417   1HG   PRO  55          1HG       PRO  55  -9.793  -1.678  -9.614
  418   2HG   PRO  55          2HG       PRO  55 -11.555  -1.554  -9.318
  419   1HD   PRO  55          1HD       PRO  55  -9.968   0.587  -9.026
  420   2HD   PRO  55          2HD       PRO  55 -11.245   0.282  -7.814
  421    H    GLY  56           H        GLY  56  -7.833  -3.500  -5.515
  422   1HA   GLY  56          1HA       GLY  56  -5.783  -4.477  -5.872
  423   2HA   GLY  56          2HA       GLY  56  -5.909  -4.059  -7.564
  424    H    GLY  57           H        GLY  57  -6.154  -1.497  -5.193
  425   1HA   GLY  57          1HA       GLY  57  -4.917   0.414  -4.916
  426   2HA   GLY  57          2HA       GLY  57  -3.557  -0.682  -4.668
  427    H    MET  58           H        MET  58  -5.244  -0.406  -7.760
  428    HA   MET  58           HA       MET  58  -4.729   0.384  -9.769
  429   1HB   MET  58          1HB       MET  58  -3.906   2.478  -8.287
  430   2HB   MET  58          2HB       MET  58  -2.339   1.987  -8.907
  431   1HG   MET  58          1HG       MET  58  -3.390   2.001 -11.236
  432   2HG   MET  58          2HG       MET  58  -4.811   2.738 -10.496
  433   1HE   MET  58          1HE       MET  58  -3.570   3.986 -12.928
  434   2HE   MET  58          2HE       MET  58  -4.855   4.808 -12.005
  435   3HE   MET  58          3HE       MET  58  -3.389   5.701 -12.480
  436    H    CYS  59           H        CYS  59  -3.348  -2.049  -8.591
  437    HA   CYS  59           HA       CYS  59  -0.837  -2.164 -10.159
  438   1HB   CYS  59          1HB       CYS  59  -1.005  -2.940  -7.802
  439   2HB   CYS  59          2HB       CYS  59  -2.135  -4.200  -8.335
  440    H    THR  60           H        THR  60  -0.375  -3.833 -11.708
  441    HA   THR  60           HA       THR  60  -2.489  -4.493 -13.499
  442    HB   THR  60           HB       THR  60   0.365  -5.559 -13.413
  443    HG1  THR  60           HG1      THR  60   0.540  -3.855 -15.030
  444   1HG2  THR  60          1HG2      THR  60  -1.080  -6.889 -14.938
  445   2HG2  THR  60          2HG2      THR  60  -1.671  -5.388 -15.682
  446   3HG2  THR  60          3HG2      THR  60   0.031  -5.864 -15.853
  447    H    ASP  61           H        ASP  61  -0.306  -7.061 -12.226
  448    HA   ASP  61           HA       ASP  61  -2.694  -8.764 -11.680
  449   1HB   ASP  61          1HB       ASP  61  -1.516  -9.169 -13.897
  450   2HB   ASP  61          2HB       ASP  61  -0.077  -9.642 -12.986
  451    H    CYS  62           H        CYS  62  -1.585  -7.242  -9.669
  452    HA   CYS  62           HA       CYS  62   0.561  -8.425  -8.197
  453   1HB   CYS  62          1HB       CYS  62  -1.782  -6.663  -7.443
  454   2HB   CYS  62          2HB       CYS  62  -0.767  -7.416  -6.212
  455    H    THR  63           H        THR  63   0.764 -10.272  -7.020
  456    HA   THR  63           HA       THR  63  -1.721 -11.869  -6.513
  457    HB   THR  63           HB       THR  63   1.222 -12.598  -6.727
  458    HG1  THR  63           HG1      THR  63   0.565 -12.968  -8.676
  459   1HG2  THR  63          1HG2      THR  63   0.281 -14.084  -4.997
  460   2HG2  THR  63          2HG2      THR  63  -1.177 -14.337  -5.987
  461   3HG2  THR  63          3HG2      THR  63   0.397 -14.953  -6.529
  462    H    ASP  64           H        ASP  64   1.329 -11.894  -4.728
  463    HA   ASP  64           HA       ASP  64   0.320 -10.609  -2.349
  464   1HB   ASP  64          1HB       ASP  64   0.222 -13.524  -2.695
  465   2HB   ASP  64          2HB       ASP  64   1.271 -13.060  -1.380
  466    H    GLU  65           H        GLU  65   2.874 -12.796  -3.664
  467    HA   GLU  65           HA       GLU  65   4.962 -11.932  -2.003
  468   1HB   GLU  65          1HB       GLU  65   6.441 -12.869  -3.714
  469   2HB   GLU  65          2HB       GLU  65   5.069 -13.922  -3.361
  470   1HG   GLU  65          1HG       GLU  65   3.942 -13.066  -5.481
  471   2HG   GLU  65          2HG       GLU  65   5.433 -12.182  -5.841
  472    H    ASP  66           H        ASP  66   3.783 -10.546  -5.059
  473    HA   ASP  66           HA       ASP  66   5.818  -8.500  -5.301
  474   1HB   ASP  66          1HB       ASP  66   3.210  -7.845  -6.543
  475   2HB   ASP  66          2HB       ASP  66   4.770  -8.193  -7.315
  476    H    TYR  67           H        TYR  67   2.490  -8.688  -4.129
  477    HA   TYR  67           HA       TYR  67   2.031  -5.969  -3.652
  478   1HB   TYR  67          1HB       TYR  67   0.644  -8.467  -3.450
  479   2HB   TYR  67          2HB       TYR  67   0.517  -7.796  -1.852
  480    HD1  TYR  67           HD1      TYR  67  -1.778  -8.546  -3.387
  481    HD2  TYR  67           HD2      TYR  67   0.302  -4.761  -3.341
  482    HE1  TYR  67           HE1      TYR  67  -3.581  -7.520  -4.739
  483    HE2  TYR  67           HE2      TYR  67  -1.394  -3.825  -4.869
  484    HH   TYR  67           HH       TYR  67  -3.167  -4.317  -6.233
  485    H    LYS  68           H        LYS  68   2.976  -8.521  -1.440
  486    HA   LYS  68           HA       LYS  68   3.061  -6.880   0.945
  487   1HB   LYS  68          1HB       LYS  68   3.500  -9.752   0.321
  488   2HB   LYS  68          2HB       LYS  68   4.578  -9.109   1.556
  489   1HG   LYS  68          1HG       LYS  68   2.785  -8.323   2.907
  490   2HG   LYS  68          2HG       LYS  68   1.579  -8.634   1.638
  491   1HD   LYS  68          1HD       LYS  68   1.846 -11.008   1.811
  492   2HD   LYS  68          2HD       LYS  68   3.264 -10.853   2.874
  493   1HE   LYS  68          1HE       LYS  68   1.925  -9.918   4.675
  494   2HE   LYS  68          2HE       LYS  68   0.502  -9.775   3.629
  495   1HZ   LYS  68          1HZ       LYS  68   0.401 -12.151   3.494
  496   2HZ   LYS  68          2HZ       LYS  68   1.745 -12.327   4.429
  497   3HZ   LYS  68          3HZ       LYS  68   0.370 -11.694   5.075
  498    H    ALA  69           H        ALA  69   5.524  -8.178  -1.429
  499    HA   ALA  69           HA       ALA  69   7.757  -6.957  -0.267
  500   1HB   ALA  69          1HB       ALA  69   7.975  -8.495  -2.045
  501   2HB   ALA  69          2HB       ALA  69   7.122  -7.419  -3.173
  502   3HB   ALA  69          3HB       ALA  69   8.719  -6.963  -2.526
  503    H    ALA  70           H        ALA  70   5.158  -5.472  -2.170
  504    HA   ALA  70           HA       ALA  70   6.488  -2.869  -2.483
  505   1HB   ALA  70          1HB       ALA  70   4.798  -3.671  -4.089
  506   2HB   ALA  70          2HB       ALA  70   3.549  -3.567  -2.833
  507   3HB   ALA  70          3HB       ALA  70   4.379  -2.102  -3.378
  508    H    ILE  71           H        ILE  71   3.939  -4.154  -0.398
  509    HA   ILE  71           HA       ILE  71   3.563  -1.803   1.229
  510    HB   ILE  71           HB       ILE  71   2.739  -4.655   1.237
  511   1HG1  ILE  71          1HG1      ILE  71   1.084  -2.173   1.432
  512   2HG1  ILE  71          2HG1      ILE  71   1.659  -2.901  -0.060
  513   1HG2  ILE  71          1HG2      ILE  71   3.310  -4.579   3.527
  514   2HG2  ILE  71          2HG2      ILE  71   2.551  -2.998   3.744
  515   3HG2  ILE  71          3HG2      ILE  71   1.564  -4.432   3.396
  516   1HD1  ILE  71          1HD1      ILE  71   0.553  -5.027   0.533
  517   2HD1  ILE  71          2HD1      ILE  71  -0.156  -4.250   1.972
  518   3HD1  ILE  71          3HD1      ILE  71  -0.572  -3.672   0.351
  519    H    GLU  72           H        GLU  72   5.811  -4.510   1.513
  520    HA   GLU  72           HA       GLU  72   6.815  -3.722   4.117
  521   1HB   GLU  72          1HB       GLU  72   8.115  -5.575   4.146
  522   2HB   GLU  72          2HB       GLU  72   6.786  -6.112   3.120
  523   1HG   GLU  72          1HG       GLU  72   8.260  -5.490   1.157
  524   2HG   GLU  72          2HG       GLU  72   9.551  -5.115   2.272
  525    H    PHE  73           H        PHE  73   7.645  -3.035   0.759
  526    HA   PHE  73           HA       PHE  73  10.080  -1.723   1.228
  527   1HB   PHE  73          1HB       PHE  73   8.681  -2.126  -0.948
  528   2HB   PHE  73          2HB       PHE  73   8.024  -0.534  -0.631
  529    HD1  PHE  73           HD1      PHE  73  10.843  -2.507  -1.810
  530    HD2  PHE  73           HD2      PHE  73   9.736   1.437  -0.457
  531    HE1  PHE  73           HE1      PHE  73  12.893  -1.568  -2.851
  532    HE2  PHE  73           HE2      PHE  73  11.785   2.365  -1.507
  533    HZ   PHE  73           HZ       PHE  73  13.336   0.865  -2.749
  534    H    MET  74           H        MET  74   6.846  -0.635   2.190
  535    HA   MET  74           HA       MET  74   7.850   2.057   2.918
  536   1HB   MET  74          1HB       MET  74   5.115   0.786   2.922
  537   2HB   MET  74          2HB       MET  74   5.440   2.411   3.602
  538   1HG   MET  74          1HG       MET  74   6.301   3.144   1.426
  539   2HG   MET  74          2HG       MET  74   6.125   1.541   0.729
  540   1HE   MET  74          1HE       MET  74   3.996   0.628  -0.401
  541   2HE   MET  74          2HE       MET  74   3.377   0.439   1.256
  542   3HE   MET  74          3HE       MET  74   2.364   1.206   0.015
  543    H    SER  75           H        SER  75   5.798  -0.259   4.757
  544    HA   SER  75           HA       SER  75   7.749  -0.408   6.891
  545   1HB   SER  75          1HB       SER  75   6.438   1.925   7.131
  546   2HB   SER  75          2HB       SER  75   5.279   0.891   7.979
  547    HG   SER  75           HG       SER  75   6.916   1.722   9.360
  548    H    LYS  76           H        LYS  76   6.407  -2.235   5.288
  549    HA   LYS  76           HA       LYS  76   5.175  -4.204   5.358
  550   1HB   LYS  76          1HB       LYS  76   6.160  -5.745   6.997
  551   2HB   LYS  76          2HB       LYS  76   7.339  -4.824   6.076
  552   1HG   LYS  76          1HG       LYS  76   7.833  -3.347   7.874
  553   2HG   LYS  76          2HG       LYS  76   6.547  -4.016   8.892
  554   1HD   LYS  76          1HD       LYS  76   8.779  -5.754   7.753
  555   2HD   LYS  76          2HD       LYS  76   9.042  -4.799   9.221
  556   1HE   LYS  76          1HE       LYS  76   7.252  -5.901  10.403
  557   2HE   LYS  76          2HE       LYS  76   6.697  -6.742   8.950
  558   1HZ   LYS  76          1HZ       LYS  76   8.744  -7.972   8.919
  559   2HZ   LYS  76          2HZ       LYS  76   9.322  -7.163  10.229
  560   3HZ   LYS  76          3HZ       LYS  76   8.020  -8.158  10.383
  561    H    ALA  77           H        ALA  77   3.317  -2.652   5.817
  562    HA   ALA  77           HA       ALA  77   1.505  -4.383   7.235
  563   1HB   ALA  77          1HB       ALA  77   1.977  -3.311   9.193
  564   2HB   ALA  77          2HB       ALA  77   2.073  -1.686   8.468
  565   3HB   ALA  77          3HB       ALA  77   0.509  -2.530   8.640
  566    H    LYS  78           H        LYS  78   1.248  -0.925   6.527
  567    HA   LYS  78           HA       LYS  78  -1.074  -1.539   4.803
  568   1HB   LYS  78          1HB       LYS  78  -1.953   0.533   5.378
  569   2HB   LYS  78          2HB       LYS  78  -1.234  -0.078   6.826
  570   1HG   LYS  78          1HG       LYS  78   0.108   1.686   7.077
  571   2HG   LYS  78          2HG       LYS  78   0.728   1.507   5.450
  572   1HD   LYS  78          1HD       LYS  78  -1.859   2.928   6.137
  573   2HD   LYS  78          2HD       LYS  78  -0.328   3.741   5.841
  574   1HE   LYS  78          1HE       LYS  78  -1.772   1.936   3.853
  575   2HE   LYS  78          2HE       LYS  78  -1.919   3.622   3.823
  576   1HZ   LYS  78          1HZ       LYS  78   0.699   3.484   3.619
  577   2HZ   LYS  78          2HZ       LYS  78   0.326   1.911   3.221
  578   3HZ   LYS  78          3HZ       LYS  78  -0.224   3.100   2.287
  579    HHA  HEC  90           HHA      HEC  90  -5.954   3.929   3.231
  580    HHB  HEC  90           HHB      HEC  90  -1.509  -0.219   0.938
  581    HHC  HEC  90           HHC      HEC  90  -1.986   2.713  -4.833
  582    HHD  HEC  90           HHD      HEC  90  -5.587   7.277  -2.241
  583   1HMA  HEC  90          1HMA      HEC  90  -4.124  -1.263   2.724
  584   2HMA  HEC  90          2HMA      HEC  90  -2.370  -0.991   2.820
  585   3HMA  HEC  90          3HMA      HEC  90  -3.412  -0.610   4.201
  586   1HAA  HEC  90          1HAA      HEC  90  -4.986   2.652   4.972
  587   2HAA  HEC  90          2HAA      HEC  90  -4.538   0.970   5.130
  588   1HBA  HEC  90          1HBA      HEC  90  -6.686   0.514   3.672
  589   2HBA  HEC  90          2HBA      HEC  90  -7.146   2.147   4.192
  590   1HMB  HEC  90          1HMB      HEC  90  -0.363  -1.695  -1.378
  591   2HMB  HEC  90          2HMB      HEC  90   1.006  -0.670  -1.840
  592   3HMB  HEC  90          3HMB      HEC  90   0.387  -0.584  -0.217
  593    HAB  HEC  90           HAB      HEC  90  -0.463   1.291  -4.974
  594   1HBB  HEC  90          1HBB      HEC  90  -1.173  -1.068  -4.832
  595   2HBB  HEC  90          2HBB      HEC  90   0.451  -0.843  -5.500
  596   3HBB  HEC  90          3HBB      HEC  90   0.257  -1.426  -3.843
  597   1HMC  HEC  90          1HMC      HEC  90  -4.202   4.748  -6.741
  598   2HMC  HEC  90          2HMC      HEC  90  -2.787   5.781  -6.513
  599   3HMC  HEC  90          3HMC      HEC  90  -2.623   4.033  -6.423
  600    HAC  HEC  90           HAC      HEC  90  -4.490   7.215  -5.686
  601   1HBC  HEC  90          1HBC      HEC  90  -6.939   7.190  -4.084
  602   2HBC  HEC  90          2HBC      HEC  90  -6.587   8.195  -5.510
  603   3HBC  HEC  90          3HBC      HEC  90  -6.590   6.438  -5.666
  604   1HMD  HEC  90          1HMD      HEC  90  -7.786   8.079  -0.223
  605   2HMD  HEC  90          2HMD      HEC  90  -6.709   8.809   0.986
  606   3HMD  HEC  90          3HMD      HEC  90  -6.194   8.684  -0.700
  607   1HAD  HEC  90          1HAD      HEC  90  -7.964   5.602   2.828
  608   2HAD  HEC  90          2HAD      HEC  90  -7.894   7.273   2.341
  609   1HBD  HEC  90          1HBD      HEC  90  -7.486   7.400   4.579
  610   2HBD  HEC  90          2HBD      HEC  90  -5.867   7.496   3.935
  Start of MODEL   22
    1   1H    ALA  -3          1H        ALA  -3   2.791  -8.111 -16.718
    2   2H    ALA  -3          2H        ALA  -3   1.854  -8.250 -18.064
    3   3H    ALA  -3          3H        ALA  -3   3.415  -7.732 -18.200
    4    HA   ALA  -3           HA       ALA  -3   1.919  -5.920 -18.462
    5   1HB   ALA  -3          1HB       ALA  -3   0.088  -6.901 -17.137
    6   2HB   ALA  -3          2HB       ALA  -3   0.963  -6.566 -15.637
    7   3HB   ALA  -3          3HB       ALA  -3   0.422  -5.236 -16.687
    8    H    ASP  -2           H        ASP  -2   2.630  -5.624 -15.012
    9    HA   ASP  -2           HA       ASP  -2   5.317  -4.483 -15.426
   10   1HB   ASP  -2          1HB       ASP  -2   4.400  -2.271 -14.564
   11   2HB   ASP  -2          2HB       ASP  -2   4.029  -2.690 -16.236
   12    H    LEU  -1           H        LEU  -1   4.654  -6.670 -14.038
   13    HA   LEU  -1           HA       LEU  -1   5.050  -6.003 -11.140
   14   1HB   LEU  -1          1HB       LEU  -1   2.881  -6.949 -11.519
   15   2HB   LEU  -1          2HB       LEU  -1   3.536  -8.222 -12.547
   16    HG   LEU  -1           HG       LEU  -1   4.886  -8.426  -9.996
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.072  -7.181  -8.998
   18   2HD1  LEU  -1          2HD1      LEU  -1   1.890  -8.166  -9.890
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.840  -8.906  -8.592
   20   1HD2  LEU  -1          1HD2      LEU  -1   2.697 -10.157 -11.227
   21   2HD2  LEU  -1          2HD2      LEU  -1   4.424 -10.278 -11.618
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.870 -10.647  -9.980
   23    H    GLN   1           H        GLN   1   7.232  -5.800 -11.930
   24    HA   GLN   1           HA       GLN   1   8.606  -8.441 -11.855
   25   1HB   GLN   1          1HB       GLN   1   8.898  -6.277 -13.800
   26   2HB   GLN   1          2HB       GLN   1  10.437  -6.516 -12.967
   27   1HG   GLN   1          1HG       GLN   1  10.557  -8.819 -13.585
   28   2HG   GLN   1          2HG       GLN   1   8.848  -8.872 -14.060
   29   1HE2  GLN   1          1HE2      GLN   1  10.312  -9.957 -15.901
   30   2HE2  GLN   1          2HE2      GLN   1  10.563  -8.839 -17.241
   31    H    ASP   2           H        ASP   2   8.165  -5.563 -10.193
   32    HA   ASP   2           HA       ASP   2   9.951  -6.410  -8.158
   33   1HB   ASP   2          1HB       ASP   2  11.582  -5.286  -9.753
   34   2HB   ASP   2          2HB       ASP   2  10.736  -3.759  -9.445
   35    H    ALA   3           H        ALA   3   8.656  -6.116  -6.512
   36    HA   ALA   3           HA       ALA   3   6.583  -4.501  -5.988
   37   1HB   ALA   3          1HB       ALA   3   7.625  -6.224  -4.569
   38   2HB   ALA   3          2HB       ALA   3   8.834  -5.032  -4.017
   39   3HB   ALA   3          3HB       ALA   3   7.105  -4.750  -3.730
   40    H    GLU   4           H        GLU   4  10.013  -3.354  -5.859
   41    HA   GLU   4           HA       GLU   4   9.453  -0.773  -4.738
   42   1HB   GLU   4          1HB       GLU   4  11.692  -1.519  -4.753
   43   2HB   GLU   4          2HB       GLU   4  11.719  -1.750  -6.505
   44   1HG   GLU   4          1HG       GLU   4  11.668   0.613  -6.918
   45   2HG   GLU   4          2HG       GLU   4  11.152   0.976  -5.262
   46    H    ALA   5           H        ALA   5   9.445  -2.053  -8.060
   47    HA   ALA   5           HA       ALA   5   8.928   0.544  -9.299
   48   1HB   ALA   5          1HB       ALA   5  10.098  -1.259 -10.497
   49   2HB   ALA   5          2HB       ALA   5   8.630  -2.262 -10.439
   50   3HB   ALA   5          3HB       ALA   5   8.625  -0.733 -11.339
   51    H    ILE   6           H        ILE   6   6.968  -2.216  -8.133
   52    HA   ILE   6           HA       ILE   6   4.470  -1.221  -9.177
   53    HB   ILE   6           HB       ILE   6   5.189  -2.980  -6.826
   54   1HG1  ILE   6          1HG1      ILE   6   5.446  -3.911  -9.137
   55   2HG1  ILE   6          2HG1      ILE   6   4.337  -4.793  -8.090
   56   1HG2  ILE   6          1HG2      ILE   6   3.175  -1.996  -6.026
   57   2HG2  ILE   6          2HG2      ILE   6   2.398  -2.089  -7.618
   58   3HG2  ILE   6          3HG2      ILE   6   2.726  -3.567  -6.685
   59   1HD1  ILE   6          1HD1      ILE   6   2.388  -3.707  -9.214
   60   2HD1  ILE   6          2HD1      ILE   6   3.508  -2.880 -10.317
   61   3HD1  ILE   6          3HD1      ILE   6   3.388  -4.644 -10.315
   62    H    TYR   7           H        TYR   7   5.983  -0.699  -5.856
   63    HA   TYR   7           HA       TYR   7   3.789   1.071  -5.294
   64   1HB   TYR   7          1HB       TYR   7   4.558   1.388  -3.201
   65   2HB   TYR   7          2HB       TYR   7   5.348  -0.126  -3.589
   66    HD1  TYR   7           HD1      TYR   7   7.700  -0.301  -3.397
   67    HD2  TYR   7           HD2      TYR   7   5.828   3.575  -3.328
   68    HE1  TYR   7           HE1      TYR   7   9.922   0.782  -3.095
   69    HE2  TYR   7           HE2      TYR   7   8.035   4.640  -2.969
   70    HH   TYR   7           HH       TYR   7  10.297   4.311  -2.919
   71    H    ASN   8           H        ASN   8   7.061   1.660  -6.484
   72    HA   ASN   8           HA       ASN   8   6.942   4.489  -6.365
   73   1HB   ASN   8          1HB       ASN   8   8.979   3.028  -6.372
   74   2HB   ASN   8          2HB       ASN   8   8.656   2.647  -8.079
   75   1HD2  ASN   8          1HD2      ASN   8  10.699   3.449  -8.693
   76   2HD2  ASN   8          2HD2      ASN   8  11.020   5.177  -8.671
   77    H    LYS   9           H        LYS   9   5.766   2.226  -8.818
   78    HA   LYS   9           HA       LYS   9   5.029   4.505 -10.553
   79   1HB   LYS   9          1HB       LYS   9   5.941   2.369 -11.451
   80   2HB   LYS   9          2HB       LYS   9   4.438   1.571 -10.966
   81   1HG   LYS   9          1HG       LYS   9   3.937   4.087 -12.460
   82   2HG   LYS   9          2HG       LYS   9   4.988   3.015 -13.369
   83   1HD   LYS   9          1HD       LYS   9   2.319   2.160 -12.132
   84   2HD   LYS   9          2HD       LYS   9   2.521   2.741 -13.789
   85   1HE   LYS   9          1HE       LYS   9   4.531   0.759 -13.558
   86   2HE   LYS   9          2HE       LYS   9   3.205   0.102 -12.599
   87   1HZ   LYS   9          1HZ       LYS   9   1.758   0.467 -14.507
   88   2HZ   LYS   9          2HZ       LYS   9   3.068   0.903 -15.448
   89   3HZ   LYS   9          3HZ       LYS   9   2.904  -0.599 -14.724
   90    H    ALA  10           H        ALA  10   3.487   2.491  -8.101
   91    HA   ALA  10           HA       ALA  10   0.758   3.365  -9.014
   92   1HB   ALA  10          1HB       ALA  10   1.112   0.936  -8.929
   93   2HB   ALA  10          2HB       ALA  10   1.500   1.047  -7.195
   94   3HB   ALA  10          3HB       ALA  10  -0.103   1.490  -7.753
   95    H    CYS  11           H        CYS  11   2.377   2.671  -5.869
   96    HA   CYS  11           HA       CYS  11   0.440   4.286  -4.401
   97   1HB   CYS  11          1HB       CYS  11   2.967   3.226  -3.229
   98   2HB   CYS  11          2HB       CYS  11   1.369   3.359  -2.498
   99    H    THR  12           H        THR  12   1.824   5.785  -6.359
  100    HA   THR  12           HA       THR  12   3.809   7.416  -4.872
  101    HB   THR  12           HB       THR  12   4.679   5.767  -6.604
  102    HG1  THR  12           HG1      THR  12   5.108   8.388  -7.402
  103   1HG2  THR  12          1HG2      THR  12   2.807   6.062  -8.258
  104   2HG2  THR  12          2HG2      THR  12   3.316   7.733  -8.550
  105   3HG2  THR  12          3HG2      THR  12   4.368   6.416  -9.001
  106    H    VAL  13           H        VAL  13   0.851   7.616  -6.082
  107    HA   VAL  13           HA       VAL  13   1.121  10.317  -7.305
  108    HB   VAL  13           HB       VAL  13  -1.245   8.396  -7.327
  109   1HG1  VAL  13          1HG1      VAL  13  -1.692  10.779  -7.853
  110   2HG1  VAL  13          2HG1      VAL  13  -0.394  10.735  -9.070
  111   3HG1  VAL  13          3HG1      VAL  13  -1.867   9.756  -9.298
  112   1HG2  VAL  13          1HG2      VAL  13   1.027   8.642  -9.343
  113   2HG2  VAL  13          2HG2      VAL  13   0.596   7.196  -8.403
  114   3HG2  VAL  13          3HG2      VAL  13  -0.506   7.799  -9.637
  115    H    CYS  14           H        CYS  14  -0.817   8.455  -4.972
  116    HA   CYS  14           HA       CYS  14  -1.841  10.826  -3.570
  117   1HB   CYS  14          1HB       CYS  14  -2.138   7.850  -3.454
  118   2HB   CYS  14          2HB       CYS  14  -2.652   8.853  -2.101
  119    H    HIS  15           H        HIS  15  -0.042   7.912  -2.576
  120    HA   HIS  15           HA       HIS  15   0.454   8.938   0.016
  121   1HB   HIS  15          1HB       HIS  15   1.403   6.485  -1.491
  122   2HB   HIS  15          2HB       HIS  15   1.825   6.799   0.182
  123    HD1  HIS  15           HD1      HIS  15   0.080   6.316   1.994
  124    HD2  HIS  15           HD2      HIS  15  -1.220   5.868  -1.964
  125    HE1  HIS  15           HE1      HIS  15  -1.907   4.706   2.067
  126    H    SER  16           H        SER  16   2.472   9.228  -2.798
  127    HA   SER  16           HA       SER  16   5.037   9.501  -1.474
  128   1HB   SER  16          1HB       SER  16   3.959  10.387  -4.167
  129   2HB   SER  16          2HB       SER  16   5.562  10.896  -3.611
  130    HG   SER  16           HG       SER  16   5.513   8.849  -4.830
  131    H    MET  17           H        MET  17   2.511  11.799  -2.419
  132    HA   MET  17           HA       MET  17   3.918  14.052  -1.055
  133   1HB   MET  17          1HB       MET  17   1.730  13.883  -3.155
  134   2HB   MET  17          2HB       MET  17   2.262  15.404  -2.410
  135   1HG   MET  17          1HG       MET  17   4.142  13.493  -3.863
  136   2HG   MET  17          2HG       MET  17   3.335  14.849  -4.644
  137   1HE   MET  17          1HE       MET  17   6.594  14.053  -4.292
  138   2HE   MET  17          2HE       MET  17   5.910  15.218  -5.460
  139   3HE   MET  17          3HE       MET  17   7.201  15.724  -4.340
  140    H    GLY  18           H        GLY  18   1.121  11.956  -0.769
  141   1HA   GLY  18          1HA       GLY  18  -0.265  11.730   1.094
  142   2HA   GLY  18          2HA       GLY  18   0.299  13.263   1.766
  143    H    VAL  19           H        VAL  19  -1.048  12.441  -1.448
  144    HA   VAL  19           HA       VAL  19  -2.983  14.684  -1.262
  145    HB   VAL  19           HB       VAL  19  -2.041  12.972  -3.588
  146   1HG1  VAL  19          1HG1      VAL  19  -4.356  13.554  -4.082
  147   2HG1  VAL  19          2HG1      VAL  19  -4.070  15.243  -3.582
  148   3HG1  VAL  19          3HG1      VAL  19  -3.284  14.581  -5.026
  149   1HG2  VAL  19          1HG2      VAL  19  -1.665  15.923  -2.944
  150   2HG2  VAL  19          2HG2      VAL  19  -0.427  14.667  -2.758
  151   3HG2  VAL  19          3HG2      VAL  19  -1.041  15.064  -4.369
  152    H    ALA  20           H        ALA  20  -5.172  14.284  -1.984
  153    HA   ALA  20           HA       ALA  20  -7.221  13.416  -1.540
  154   1HB   ALA  20          1HB       ALA  20  -6.560  11.837  -3.290
  155   2HB   ALA  20          2HB       ALA  20  -5.915  10.732  -2.061
  156   3HB   ALA  20          3HB       ALA  20  -7.650  11.091  -2.105
  157    H    GLY  21           H        GLY  21  -5.094  13.545   0.702
  158   1HA   GLY  21          1HA       GLY  21  -5.196  13.320   3.006
  159   2HA   GLY  21          2HA       GLY  21  -6.701  12.405   2.873
  160    H    ALA  22           H        ALA  22  -4.061  11.239   0.859
  161    HA   ALA  22           HA       ALA  22  -4.234   8.743   2.074
  162   1HB   ALA  22          1HB       ALA  22  -3.679   9.056  -0.226
  163   2HB   ALA  22          2HB       ALA  22  -2.120   9.809   0.188
  164   3HB   ALA  22          3HB       ALA  22  -2.414   8.092   0.552
  165    HA   PRO  23           HA       PRO  23  -1.417   9.185   5.531
  166   1HB   PRO  23          1HB       PRO  23  -0.996   6.503   6.105
  167   2HB   PRO  23          2HB       PRO  23  -2.462   7.430   6.557
  168   1HG   PRO  23          1HG       PRO  23  -2.038   5.618   4.191
  169   2HG   PRO  23          2HG       PRO  23  -3.448   5.671   5.280
  170   1HD   PRO  23          1HD       PRO  23  -3.453   6.867   2.859
  171   2HD   PRO  23          2HD       PRO  23  -4.201   7.687   4.274
  172    H    LYS  24           H        LYS  24   0.824   9.116   5.951
  173    HA   LYS  24           HA       LYS  24   2.236   9.286   3.445
  174   1HB   LYS  24          1HB       LYS  24   3.515   9.423   6.186
  175   2HB   LYS  24          2HB       LYS  24   4.165  10.005   4.650
  176   1HG   LYS  24          1HG       LYS  24   2.199  11.604   4.500
  177   2HG   LYS  24          2HG       LYS  24   1.760  11.117   6.134
  178   1HD   LYS  24          1HD       LYS  24   3.226  12.608   6.991
  179   2HD   LYS  24          2HD       LYS  24   4.523  11.636   6.342
  180   1HE   LYS  24          1HE       LYS  24   5.155  13.354   5.058
  181   2HE   LYS  24          2HE       LYS  24   3.702  13.145   4.092
  182   1HZ   LYS  24          1HZ       LYS  24   2.572  14.647   5.656
  183   2HZ   LYS  24          2HZ       LYS  24   3.989  14.879   6.465
  184   3HZ   LYS  24          3HZ       LYS  24   3.842  15.373   4.905
  185    H    SER  25           H        SER  25   3.940   8.159   2.590
  186    HA   SER  25           HA       SER  25   4.019   5.389   2.735
  187   1HB   SER  25          1HB       SER  25   6.191   5.656   1.513
  188   2HB   SER  25          2HB       SER  25   4.869   6.646   0.862
  189    HG   SER  25           HG       SER  25   6.782   7.899   1.142
  190    H    HIS  26           H        HIS  26   5.948   7.708   4.579
  191    HA   HIS  26           HA       HIS  26   7.199   5.459   6.136
  192   1HB   HIS  26          1HB       HIS  26   9.189   6.703   6.273
  193   2HB   HIS  26          2HB       HIS  26   8.705   6.639   4.582
  194    HD1  HIS  26           HD1      HIS  26  10.717   8.813   5.440
  195    HD2  HIS  26           HD2      HIS  26   6.545   9.353   5.548
  196    HE1  HIS  26           HE1      HIS  26  10.293  11.329   5.399
  197    H    ASN  27           H        ASN  27   4.735   6.451   7.059
  198    HA   ASN  27           HA       ASN  27   5.443   8.139   9.407
  199   1HB   ASN  27          1HB       ASN  27   2.929   7.334   8.005
  200   2HB   ASN  27          2HB       ASN  27   2.801   7.329   9.759
  201   1HD2  ASN  27          1HD2      ASN  27   1.317   9.075   8.113
  202   2HD2  ASN  27          2HD2      ASN  27   1.837  10.693   8.567
  203    H    THR  28           H        THR  28   4.798   7.483  11.580
  204    HA   THR  28           HA       THR  28   5.040   4.506  12.043
  205    HB   THR  28           HB       THR  28   6.725   5.876  13.162
  206    HG1  THR  28           HG1      THR  28   4.935   4.789  15.101
  207   1HG2  THR  28          1HG2      THR  28   5.332   7.943  13.644
  208   2HG2  THR  28          2HG2      THR  28   4.494   7.002  14.908
  209   3HG2  THR  28          3HG2      THR  28   6.232   7.298  15.027
  210    H    ALA  29           H        ALA  29   3.039   7.407  12.744
  211    HA   ALA  29           HA       ALA  29   1.233   5.993  14.440
  212   1HB   ALA  29          1HB       ALA  29   1.606   8.394  14.561
  213   2HB   ALA  29          2HB       ALA  29   0.867   8.605  12.949
  214   3HB   ALA  29          3HB       ALA  29  -0.112   8.009  14.312
  215    H    ASP  30           H        ASP  30   1.170   6.602  10.938
  216    HA   ASP  30           HA       ASP  30  -1.577   5.759  10.556
  217   1HB   ASP  30          1HB       ASP  30   0.728   5.893   8.556
  218   2HB   ASP  30          2HB       ASP  30  -0.995   5.737   8.199
  219    H    TRP  31           H        TRP  31   1.512   4.217  10.792
  220    HA   TRP  31           HA       TRP  31   0.688   1.648   9.625
  221   1HB   TRP  31          1HB       TRP  31   3.308   2.810  10.554
  222   2HB   TRP  31          2HB       TRP  31   3.137   1.169   9.887
  223    HD1  TRP  31           HD1      TRP  31   2.850   4.890   8.899
  224    HE1  TRP  31           HE1      TRP  31   2.984   5.239   6.398
  225    HE3  TRP  31           HE3      TRP  31   3.275  -0.018   7.435
  226    HZ2  TRP  31           HZ2      TRP  31   3.223   3.652   4.082
  227    HZ3  TRP  31           HZ3      TRP  31   3.353  -0.520   4.994
  228    HH2  TRP  31           HH2      TRP  31   2.999   1.288   3.370
  229    H    GLU  32           H        GLU  32   1.568   3.024  12.855
  230    HA   GLU  32           HA       GLU  32   1.758   0.835  14.456
  231   1HB   GLU  32          1HB       GLU  32   0.643   3.585  14.761
  232   2HB   GLU  32          2HB       GLU  32   0.258   2.450  16.056
  233   1HG   GLU  32          1HG       GLU  32   2.521   2.086  16.614
  234   2HG   GLU  32          2HG       GLU  32   3.112   2.715  15.067
  235    HA   PRO  33           HA       PRO  33  -2.878  -0.022  15.118
  236   1HB   PRO  33          1HB       PRO  33  -4.817   1.128  13.558
  237   2HB   PRO  33          2HB       PRO  33  -4.131   1.906  15.012
  238   1HG   PRO  33          1HG       PRO  33  -3.315   2.372  12.130
  239   2HG   PRO  33          2HG       PRO  33  -3.712   3.595  13.368
  240   1HD   PRO  33          1HD       PRO  33  -1.169   2.894  12.824
  241   2HD   PRO  33          2HD       PRO  33  -1.678   3.242  14.504
  242    H    ARG  34           H        ARG  34  -1.216  -0.070  12.164
  243    HA   ARG  34           HA       ARG  34  -2.956  -2.081  10.858
  244   1HB   ARG  34          1HB       ARG  34  -0.496  -0.585   9.841
  245   2HB   ARG  34          2HB       ARG  34  -1.624  -1.494   8.877
  246   1HG   ARG  34          1HG       ARG  34  -2.402   0.999  10.502
  247   2HG   ARG  34          2HG       ARG  34  -1.836   1.072   8.869
  248   1HD   ARG  34          1HD       ARG  34  -3.718   0.194   7.962
  249   2HD   ARG  34          2HD       ARG  34  -4.017  -0.899   9.307
  250    HE   ARG  34           HE       ARG  34  -5.290   0.632  10.412
  251   1HH1  ARG  34          2HH1      ARG  34  -3.611   2.609   8.032
  252   2HH1  ARG  34          1HH1      ARG  34  -5.150   3.318   7.470
  253   1HH2  ARG  34          1HH2      ARG  34  -7.186   1.819   9.739
  254   2HH2  ARG  34          2HH2      ARG  34  -6.975   2.885   8.377
  255    H    LEU  35           H        LEU  35   0.343  -1.497  11.992
  256    HA   LEU  35           HA       LEU  35   1.388  -4.128  11.593
  257   1HB   LEU  35          1HB       LEU  35   2.412  -1.627  12.086
  258   2HB   LEU  35          2HB       LEU  35   2.576  -2.339  13.683
  259    HG   LEU  35           HG       LEU  35   3.696  -3.402  11.044
  260   1HD1  LEU  35          1HD1      LEU  35   4.807  -1.358  11.853
  261   2HD1  LEU  35          2HD1      LEU  35   5.086  -2.127  13.432
  262   3HD1  LEU  35          3HD1      LEU  35   5.876  -2.763  11.973
  263   1HD2  LEU  35          1HD2      LEU  35   4.004  -4.471  13.872
  264   2HD2  LEU  35          2HD2      LEU  35   3.291  -5.310  12.468
  265   3HD2  LEU  35          3HD2      LEU  35   5.021  -4.950  12.493
  266    H    ALA  36           H        ALA  36  -0.613  -2.691  14.029
  267    HA   ALA  36           HA       ALA  36  -0.015  -4.581  16.197
  268   1HB   ALA  36          1HB       ALA  36  -0.665  -2.250  16.692
  269   2HB   ALA  36          2HB       ALA  36  -2.200  -2.483  15.826
  270   3HB   ALA  36          3HB       ALA  36  -1.868  -3.396  17.316
  271    H    LYS  37           H        LYS  37  -2.165  -4.193  13.433
  272    HA   LYS  37           HA       LYS  37  -3.881  -6.373  14.269
  273   1HB   LYS  37          1HB       LYS  37  -3.721  -4.689  11.745
  274   2HB   LYS  37          2HB       LYS  37  -4.800  -6.081  11.859
  275   1HG   LYS  37          1HG       LYS  37  -4.825  -3.881  13.953
  276   2HG   LYS  37          2HG       LYS  37  -5.732  -3.716  12.452
  277   1HD   LYS  37          1HD       LYS  37  -7.122  -5.579  12.885
  278   2HD   LYS  37          2HD       LYS  37  -6.043  -6.243  14.117
  279   1HE   LYS  37          1HE       LYS  37  -6.512  -4.283  15.595
  280   2HE   LYS  37          2HE       LYS  37  -7.678  -3.681  14.403
  281   1HZ   LYS  37          1HZ       LYS  37  -8.930  -5.729  14.719
  282   2HZ   LYS  37          2HZ       LYS  37  -7.824  -6.286  15.801
  283   3HZ   LYS  37          3HZ       LYS  37  -8.734  -4.966  16.164
  284    H    GLY  38           H        GLY  38  -1.493  -5.811  11.681
  285   1HA   GLY  38          1HA       GLY  38   0.142  -7.986  12.155
  286   2HA   GLY  38          2HA       GLY  38  -1.123  -8.662  11.118
  287    H    VAL  39           H        VAL  39  -0.956  -8.395   8.968
  288    HA   VAL  39           HA       VAL  39   0.419  -6.129   7.737
  289    HB   VAL  39           HB       VAL  39   1.557  -8.394   6.380
  290   1HG1  VAL  39          1HG1      VAL  39   2.383  -6.102   6.438
  291   2HG1  VAL  39          2HG1      VAL  39   2.825  -6.324   8.150
  292   3HG1  VAL  39          3HG1      VAL  39   3.651  -7.269   6.888
  293   1HG2  VAL  39          1HG2      VAL  39   2.380  -8.497   9.305
  294   2HG2  VAL  39          2HG2      VAL  39   1.347  -9.711   8.513
  295   3HG2  VAL  39          3HG2      VAL  39   3.003  -9.454   7.954
  296    H    ASP  40           H        ASP  40  -0.505  -9.471   6.898
  297    HA   ASP  40           HA       ASP  40  -1.458  -8.780   4.406
  298   1HB   ASP  40          1HB       ASP  40  -2.098 -11.306   5.947
  299   2HB   ASP  40          2HB       ASP  40  -1.904 -11.107   4.195
  300    H    ASN  41           H        ASN  41  -2.868  -7.335   6.559
  301    HA   ASN  41           HA       ASN  41  -5.735  -8.069   6.252
  302   1HB   ASN  41          1HB       ASN  41  -5.156  -5.857   8.082
  303   2HB   ASN  41          2HB       ASN  41  -5.929  -7.361   8.465
  304   1HD2  ASN  41          1HD2      ASN  41  -3.354  -5.493   9.410
  305   2HD2  ASN  41          2HD2      ASN  41  -2.409  -6.819  10.033
  306    H    LEU  42           H        LEU  42  -3.259  -5.668   5.579
  307    HA   LEU  42           HA       LEU  42  -5.234  -3.703   4.527
  308   1HB   LEU  42          1HB       LEU  42  -2.254  -3.595   5.155
  309   2HB   LEU  42          2HB       LEU  42  -3.138  -2.334   4.324
  310    HG   LEU  42           HG       LEU  42  -2.918  -1.664   6.577
  311   1HD1  LEU  42          1HD1      LEU  42  -5.158  -1.201   5.545
  312   2HD1  LEU  42          2HD1      LEU  42  -5.796  -2.659   6.330
  313   3HD1  LEU  42          3HD1      LEU  42  -5.227  -1.326   7.308
  314   1HD2  LEU  42          1HD2      LEU  42  -4.433  -3.947   7.730
  315   2HD2  LEU  42          2HD2      LEU  42  -2.699  -4.178   7.393
  316   3HD2  LEU  42          3HD2      LEU  42  -3.244  -2.906   8.489
  317    H    VAL  43           H        VAL  43  -2.395  -5.646   3.484
  318    HA   VAL  43           HA       VAL  43  -2.444  -4.917   0.769
  319    HB   VAL  43           HB       VAL  43  -0.784  -6.376   2.076
  320   1HG1  VAL  43          1HG1      VAL  43  -2.585  -8.108   2.698
  321   2HG1  VAL  43          2HG1      VAL  43  -2.464  -8.684   1.026
  322   3HG1  VAL  43          3HG1      VAL  43  -1.040  -8.734   2.073
  323   1HG2  VAL  43          1HG2      VAL  43  -1.589  -7.248  -0.731
  324   2HG2  VAL  43          2HG2      VAL  43  -0.525  -5.892  -0.330
  325   3HG2  VAL  43          3HG2      VAL  43  -0.025  -7.542   0.060
  326    H    LYS  44           H        LYS  44  -4.576  -7.207   2.555
  327    HA   LYS  44           HA       LYS  44  -5.915  -8.088   0.221
  328   1HB   LYS  44          1HB       LYS  44  -7.867  -8.582   1.691
  329   2HB   LYS  44          2HB       LYS  44  -6.343  -9.370   2.120
  330   1HG   LYS  44          1HG       LYS  44  -6.005  -8.133   3.987
  331   2HG   LYS  44          2HG       LYS  44  -6.924  -6.735   3.422
  332   1HD   LYS  44          1HD       LYS  44  -8.392  -9.303   3.981
  333   2HD   LYS  44          2HD       LYS  44  -7.875  -8.269   5.329
  334   1HE   LYS  44          1HE       LYS  44  -8.991  -6.330   4.457
  335   2HE   LYS  44          2HE       LYS  44  -9.435  -7.157   2.956
  336   1HZ   LYS  44          1HZ       LYS  44 -10.838  -8.624   4.261
  337   2HZ   LYS  44          2HZ       LYS  44 -10.410  -7.860   5.654
  338   3HZ   LYS  44          3HZ       LYS  44 -11.271  -7.057   4.507
  339    H    SER  45           H        SER  45  -6.386  -5.129   2.172
  340    HA   SER  45           HA       SER  45  -8.872  -4.419   0.854
  341   1HB   SER  45          1HB       SER  45  -7.026  -2.778   2.605
  342   2HB   SER  45          2HB       SER  45  -8.712  -2.432   2.176
  343    HG   SER  45           HG       SER  45  -8.442  -3.504   4.253
  344    H    VAL  46           H        VAL  46  -5.401  -3.685   0.467
  345    HA   VAL  46           HA       VAL  46  -5.727  -1.662  -1.482
  346    HB   VAL  46           HB       VAL  46  -3.551  -2.792  -0.188
  347   1HG1  VAL  46          1HG1      VAL  46  -3.306  -4.683  -1.889
  348   2HG1  VAL  46          2HG1      VAL  46  -3.182  -3.443  -3.139
  349   3HG1  VAL  46          3HG1      VAL  46  -1.954  -3.566  -1.867
  350   1HG2  VAL  46          1HG2      VAL  46  -3.596  -1.107  -2.700
  351   2HG2  VAL  46          2HG2      VAL  46  -3.697  -0.529  -1.015
  352   3HG2  VAL  46          3HG2      VAL  46  -2.215  -1.299  -1.596
  353    H    LYS  47           H        LYS  47  -5.452  -5.197  -1.881
  354    HA   LYS  47           HA       LYS  47  -5.803  -5.026  -4.688
  355   1HB   LYS  47          1HB       LYS  47  -5.522  -7.230  -4.754
  356   2HB   LYS  47          2HB       LYS  47  -4.937  -6.868  -3.126
  357   1HG   LYS  47          1HG       LYS  47  -7.640  -7.424  -2.685
  358   2HG   LYS  47          2HG       LYS  47  -7.276  -8.501  -4.024
  359   1HD   LYS  47          1HD       LYS  47  -5.325  -8.267  -1.739
  360   2HD   LYS  47          2HD       LYS  47  -6.908  -9.024  -1.422
  361   1HE   LYS  47          1HE       LYS  47  -6.514 -10.749  -3.066
  362   2HE   LYS  47          2HE       LYS  47  -5.005  -9.989  -3.604
  363   1HZ   LYS  47          1HZ       LYS  47  -3.988 -10.522  -1.503
  364   2HZ   LYS  47          2HZ       LYS  47  -5.422 -11.030  -0.866
  365   3HZ   LYS  47          3HZ       LYS  47  -4.687 -11.878  -2.059
  366    H    THR  48           H        THR  48  -8.079  -5.130  -2.047
  367    HA   THR  48           HA       THR  48 -10.427  -5.551  -3.669
  368    HB   THR  48           HB       THR  48  -9.870  -5.528  -0.927
  369    HG1  THR  48           HG1      THR  48 -12.106  -6.165  -0.884
  370   1HG2  THR  48          1HG2      THR  48 -10.575  -3.120  -0.733
  371   2HG2  THR  48          2HG2      THR  48 -12.142  -3.570  -1.444
  372   3HG2  THR  48          3HG2      THR  48 -11.639  -4.244   0.111
  373    H    GLY  49           H        GLY  49  -8.780  -2.519  -2.676
  374   1HA   GLY  49          1HA       GLY  49  -9.185  -0.386  -3.526
  375   2HA   GLY  49          2HA       GLY  49 -10.678  -0.899  -4.318
  376    H    LEU  50           H        LEU  50  -9.429   0.688  -1.706
  377    HA   LEU  50           HA       LEU  50 -11.795   0.512   0.035
  378   1HB   LEU  50          1HB       LEU  50  -9.116   1.098   0.401
  379   2HB   LEU  50          2HB       LEU  50  -9.781   2.695   0.338
  380    HG   LEU  50           HG       LEU  50  -9.497   1.826   2.611
  381   1HD1  LEU  50          1HD1      LEU  50 -11.324   3.305   2.437
  382   2HD1  LEU  50          2HD1      LEU  50 -12.454   1.998   1.942
  383   3HD1  LEU  50          3HD1      LEU  50 -11.765   2.026   3.578
  384   1HD2  LEU  50          1HD2      LEU  50 -11.426  -0.442   1.977
  385   2HD2  LEU  50          2HD2      LEU  50  -9.655  -0.549   2.025
  386   3HD2  LEU  50          3HD2      LEU  50 -10.558  -0.132   3.490
  387    H    ASN  51           H        ASN  51 -12.003   3.511   0.447
  388    HA   ASN  51           HA       ASN  51 -14.016   3.852  -1.597
  389   1HB   ASN  51          1HB       ASN  51 -13.047   6.135   0.159
  390   2HB   ASN  51          2HB       ASN  51 -14.629   5.862  -0.556
  391   1HD2  ASN  51          1HD2      ASN  51 -12.533   5.357   2.128
  392   2HD2  ASN  51          2HD2      ASN  51 -13.460   4.110   2.926
  393    H    ALA  52           H        ALA  52 -11.312   6.027  -0.856
  394    HA   ALA  52           HA       ALA  52 -11.180   7.216  -3.501
  395   1HB   ALA  52          1HB       ALA  52 -10.563   8.426  -1.441
  396   2HB   ALA  52          2HB       ALA  52  -9.268   7.246  -1.135
  397   3HB   ALA  52          3HB       ALA  52  -9.178   8.325  -2.549
  398    H    MET  53           H        MET  53  -9.865   4.332  -2.047
  399    HA   MET  53           HA       MET  53  -7.590   4.192  -3.917
  400   1HB   MET  53          1HB       MET  53  -8.610   2.455  -1.680
  401   2HB   MET  53          2HB       MET  53  -7.390   1.875  -2.819
  402   1HG   MET  53          1HG       MET  53  -6.469   4.427  -2.081
  403   2HG   MET  53          2HG       MET  53  -7.109   3.754  -0.586
  404   1HE   MET  53          1HE       MET  53  -6.379   1.812   0.574
  405   2HE   MET  53          2HE       MET  53  -6.524   0.626  -0.748
  406   3HE   MET  53          3HE       MET  53  -5.025   0.737   0.187
  407    HA   PRO  54           HA       PRO  54 -10.153   2.136  -6.928
  408   1HB   PRO  54          1HB       PRO  54  -8.287   1.542  -8.860
  409   2HB   PRO  54          2HB       PRO  54  -8.877   3.200  -8.540
  410   1HG   PRO  54          1HG       PRO  54  -6.373   1.897  -7.447
  411   2HG   PRO  54          2HG       PRO  54  -6.503   3.484  -8.262
  412   1HD   PRO  54          1HD       PRO  54  -6.467   3.214  -5.562
  413   2HD   PRO  54          2HD       PRO  54  -7.512   4.449  -6.333
  414    HA   PRO  55           HA       PRO  55  -9.766  -2.158  -5.796
  415   1HB   PRO  55          1HB       PRO  55 -10.958  -3.448  -7.877
  416   2HB   PRO  55          2HB       PRO  55 -11.863  -2.446  -6.708
  417   1HG   PRO  55          1HG       PRO  55 -10.842  -1.607  -9.433
  418   2HG   PRO  55          2HG       PRO  55 -12.490  -1.398  -8.770
  419   1HD   PRO  55          1HD       PRO  55 -10.675   0.604  -8.685
  420   2HD   PRO  55          2HD       PRO  55 -11.762   0.323  -7.292
  421    H    GLY  56           H        GLY  56  -7.789  -3.130  -5.657
  422   1HA   GLY  56          1HA       GLY  56  -6.064  -4.380  -6.632
  423   2HA   GLY  56          2HA       GLY  56  -6.438  -3.747  -8.186
  424    H    GLY  57           H        GLY  57  -6.337  -1.212  -5.831
  425   1HA   GLY  57          1HA       GLY  57  -4.868   0.544  -5.574
  426   2HA   GLY  57          2HA       GLY  57  -3.739  -0.766  -5.205
  427    H    MET  58           H        MET  58  -5.239   0.430  -8.221
  428    HA   MET  58           HA       MET  58  -4.449   1.386 -10.093
  429   1HB   MET  58          1HB       MET  58  -2.522   2.233  -8.489
  430   2HB   MET  58          2HB       MET  58  -1.552   1.056  -9.400
  431   1HG   MET  58          1HG       MET  58  -3.173   3.333 -10.633
  432   2HG   MET  58          2HG       MET  58  -1.490   3.405 -10.151
  433   1HE   MET  58          1HE       MET  58  -4.027   1.848 -12.666
  434   2HE   MET  58          2HE       MET  58  -3.469   3.475 -13.118
  435   3HE   MET  58          3HE       MET  58  -3.037   2.074 -14.126
  436    H    CYS  59           H        CYS  59  -2.797  -1.537  -8.911
  437    HA   CYS  59           HA       CYS  59  -2.378  -2.608 -11.635
  438   1HB   CYS  59          1HB       CYS  59  -0.827  -2.972  -9.684
  439   2HB   CYS  59          2HB       CYS  59  -2.097  -3.926  -8.911
  440    H    THR  60           H        THR  60  -3.281  -4.934 -11.971
  441    HA   THR  60           HA       THR  60  -5.925  -5.431 -10.660
  442    HB   THR  60           HB       THR  60  -6.551  -6.533 -12.828
  443    HG1  THR  60           HG1      THR  60  -5.281  -6.086 -14.622
  444   1HG2  THR  60          1HG2      THR  60  -7.255  -4.170 -12.280
  445   2HG2  THR  60          2HG2      THR  60  -5.815  -3.577 -13.130
  446   3HG2  THR  60          3HG2      THR  60  -7.070  -4.449 -14.027
  447    H    ASP  61           H        ASP  61  -3.879  -7.242 -12.860
  448    HA   ASP  61           HA       ASP  61  -3.863  -9.643 -11.282
  449   1HB   ASP  61          1HB       ASP  61  -2.489  -8.760 -13.857
  450   2HB   ASP  61          2HB       ASP  61  -2.348 -10.387 -13.180
  451    H    CYS  62           H        CYS  62  -2.951  -8.055  -9.499
  452    HA   CYS  62           HA       CYS  62  -0.033  -8.700  -9.259
  453   1HB   CYS  62          1HB       CYS  62  -1.614  -6.464  -7.965
  454   2HB   CYS  62          2HB       CYS  62  -0.095  -7.076  -7.314
  455    H    THR  63           H        THR  63   0.798  -9.731  -7.565
  456    HA   THR  63           HA       THR  63  -1.083 -11.081  -5.673
  457    HB   THR  63           HB       THR  63   1.242 -12.263  -7.230
  458    HG1  THR  63           HG1      THR  63  -0.326 -13.455  -8.181
  459   1HG2  THR  63          1HG2      THR  63   1.162 -13.333  -4.992
  460   2HG2  THR  63          2HG2      THR  63  -0.600 -13.559  -5.155
  461   3HG2  THR  63          3HG2      THR  63   0.530 -14.428  -6.214
  462    H    ASP  64           H        ASP  64  -0.238 -11.540  -3.623
  463    HA   ASP  64           HA       ASP  64   1.174  -9.739  -2.226
  464   1HB   ASP  64          1HB       ASP  64   0.630 -12.678  -1.888
  465   2HB   ASP  64          2HB       ASP  64   1.537 -11.749  -0.694
  466    H    GLU  65           H        GLU  65   2.781 -12.402  -3.957
  467    HA   GLU  65           HA       GLU  65   5.405 -12.212  -3.249
  468   1HB   GLU  65          1HB       GLU  65   5.976 -12.835  -5.519
  469   2HB   GLU  65          2HB       GLU  65   4.503 -13.658  -4.999
  470   1HG   GLU  65          1HG       GLU  65   3.206 -11.806  -6.243
  471   2HG   GLU  65          2HG       GLU  65   4.754 -11.342  -6.963
  472    H    ASP  66           H        ASP  66   3.904  -9.860  -5.507
  473    HA   ASP  66           HA       ASP  66   6.102  -7.937  -4.937
  474   1HB   ASP  66          1HB       ASP  66   4.691  -8.590  -7.396
  475   2HB   ASP  66          2HB       ASP  66   4.563  -6.868  -7.039
  476    H    TYR  67           H        TYR  67   2.707  -8.468  -4.281
  477    HA   TYR  67           HA       TYR  67   2.056  -5.655  -3.930
  478   1HB   TYR  67          1HB       TYR  67   0.743  -8.259  -3.707
  479   2HB   TYR  67          2HB       TYR  67   0.319  -7.284  -2.328
  480    HD1  TYR  67           HD1      TYR  67   0.095  -4.554  -3.630
  481    HD2  TYR  67           HD2      TYR  67  -1.356  -8.487  -4.634
  482    HE1  TYR  67           HE1      TYR  67  -1.721  -3.549  -5.007
  483    HE2  TYR  67           HE2      TYR  67  -3.261  -7.473  -5.837
  484    HH   TYR  67           HH       TYR  67  -4.101  -5.552  -6.708
  485    H    LYS  68           H        LYS  68   2.893  -8.339  -1.780
  486    HA   LYS  68           HA       LYS  68   2.678  -6.818   0.676
  487   1HB   LYS  68          1HB       LYS  68   2.349  -9.281   0.522
  488   2HB   LYS  68          2HB       LYS  68   4.073  -9.481   0.130
  489   1HG   LYS  68          1HG       LYS  68   4.741  -8.474   2.244
  490   2HG   LYS  68          2HG       LYS  68   3.037  -8.102   2.617
  491   1HD   LYS  68          1HD       LYS  68   2.500 -10.525   2.475
  492   2HD   LYS  68          2HD       LYS  68   4.215 -10.889   2.203
  493   1HE   LYS  68          1HE       LYS  68   4.822 -10.135   4.434
  494   2HE   LYS  68          2HE       LYS  68   3.267  -9.314   4.649
  495   1HZ   LYS  68          1HZ       LYS  68   2.159 -11.420   4.637
  496   2HZ   LYS  68          2HZ       LYS  68   3.571 -12.241   4.512
  497   3HZ   LYS  68          3HZ       LYS  68   3.213 -11.355   5.866
  498    H    ALA  69           H        ALA  69   5.359  -8.108  -1.335
  499    HA   ALA  69           HA       ALA  69   7.574  -6.957  -0.084
  500   1HB   ALA  69          1HB       ALA  69   7.826  -8.552  -1.782
  501   2HB   ALA  69          2HB       ALA  69   7.003  -7.528  -2.962
  502   3HB   ALA  69          3HB       ALA  69   8.609  -7.061  -2.338
  503    H    ALA  70           H        ALA  70   5.080  -5.275  -1.908
  504    HA   ALA  70           HA       ALA  70   6.645  -2.804  -2.314
  505   1HB   ALA  70          1HB       ALA  70   5.082  -3.397  -4.045
  506   2HB   ALA  70          2HB       ALA  70   3.759  -3.595  -2.889
  507   3HB   ALA  70          3HB       ALA  70   4.403  -1.997  -3.200
  508    H    ILE  71           H        ILE  71   4.085  -4.023  -0.240
  509    HA   ILE  71           HA       ILE  71   3.670  -1.553   1.236
  510    HB   ILE  71           HB       ILE  71   2.523  -4.270   1.033
  511   1HG1  ILE  71          1HG1      ILE  71   1.276  -1.599   1.573
  512   2HG1  ILE  71          2HG1      ILE  71   1.787  -2.163  -0.001
  513   1HG2  ILE  71          1HG2      ILE  71   2.956  -4.663   3.260
  514   2HG2  ILE  71          2HG2      ILE  71   2.662  -2.998   3.764
  515   3HG2  ILE  71          3HG2      ILE  71   1.311  -4.026   3.261
  516   1HD1  ILE  71          1HD1      ILE  71   0.232  -3.863  -0.109
  517   2HD1  ILE  71          2HD1      ILE  71  -0.159  -3.814   1.629
  518   3HD1  ILE  71          3HD1      ILE  71  -0.669  -2.495   0.565
  519    H    GLU  72           H        GLU  72   5.436  -4.541   1.851
  520    HA   GLU  72           HA       GLU  72   6.356  -3.742   4.455
  521   1HB   GLU  72          1HB       GLU  72   7.637  -5.755   4.491
  522   2HB   GLU  72          2HB       GLU  72   6.031  -6.088   3.834
  523   1HG   GLU  72          1HG       GLU  72   7.080  -7.100   2.126
  524   2HG   GLU  72          2HG       GLU  72   7.606  -5.495   1.575
  525    H    PHE  73           H        PHE  73   7.551  -3.203   1.243
  526    HA   PHE  73           HA       PHE  73  10.097  -2.206   1.813
  527   1HB   PHE  73          1HB       PHE  73   8.709  -2.422  -0.392
  528   2HB   PHE  73          2HB       PHE  73   8.207  -0.791  -0.084
  529    HD1  PHE  73           HD1      PHE  73  10.791  -3.077  -1.218
  530    HD2  PHE  73           HD2      PHE  73  10.120   1.006  -0.004
  531    HE1  PHE  73           HE1      PHE  73  12.812  -2.369  -2.475
  532    HE2  PHE  73           HE2      PHE  73  12.134   1.708  -1.283
  533    HZ   PHE  73           HZ       PHE  73  13.448   0.030  -2.559
  534    H    MET  74           H        MET  74   6.990  -0.762   2.725
  535    HA   MET  74           HA       MET  74   8.218   1.854   3.378
  536   1HB   MET  74          1HB       MET  74   5.429   0.726   3.304
  537   2HB   MET  74          2HB       MET  74   5.758   2.242   4.166
  538   1HG   MET  74          1HG       MET  74   6.705   3.192   2.101
  539   2HG   MET  74          2HG       MET  74   6.502   1.672   1.232
  540   1HE   MET  74          1HE       MET  74   4.200   1.066  -0.133
  541   2HE   MET  74          2HE       MET  74   3.806   0.595   1.529
  542   3HE   MET  74          3HE       MET  74   2.642   1.551   0.594
  543    H    SER  75           H        SER  75   5.927  -0.067   5.319
  544    HA   SER  75           HA       SER  75   7.892  -0.440   7.464
  545   1HB   SER  75          1HB       SER  75   7.027   1.960   7.731
  546   2HB   SER  75          2HB       SER  75   5.472   1.239   8.178
  547    HG   SER  75           HG       SER  75   6.683   1.553  10.039
  548    H    LYS  76           H        LYS  76   6.447  -2.177   5.829
  549    HA   LYS  76           HA       LYS  76   4.857  -3.911   5.855
  550   1HB   LYS  76          1HB       LYS  76   5.781  -5.684   7.210
  551   2HB   LYS  76          2HB       LYS  76   7.027  -4.759   6.370
  552   1HG   LYS  76          1HG       LYS  76   7.497  -3.493   8.478
  553   2HG   LYS  76          2HG       LYS  76   6.438  -4.608   9.346
  554   1HD   LYS  76          1HD       LYS  76   8.851  -5.408   7.630
  555   2HD   LYS  76          2HD       LYS  76   8.932  -5.147   9.376
  556   1HE   LYS  76          1HE       LYS  76   7.398  -6.986   9.816
  557   2HE   LYS  76          2HE       LYS  76   7.081  -7.222   8.092
  558   1HZ   LYS  76          1HZ       LYS  76   9.350  -7.843   7.765
  559   2HZ   LYS  76          2HZ       LYS  76   9.713  -7.598   9.350
  560   3HZ   LYS  76          3HZ       LYS  76   8.680  -8.802   8.919
  561    H    ALA  77           H        ALA  77   3.096  -2.468   6.339
  562    HA   ALA  77           HA       ALA  77   1.485  -3.720   8.423
  563   1HB   ALA  77          1HB       ALA  77   2.949  -1.830   9.523
  564   2HB   ALA  77          2HB       ALA  77   1.784  -0.728   8.756
  565   3HB   ALA  77          3HB       ALA  77   1.233  -1.963   9.856
  566    H    LYS  78           H        LYS  78   1.640  -0.886   6.295
  567    HA   LYS  78           HA       LYS  78  -1.028  -1.469   5.196
  568   1HB   LYS  78          1HB       LYS  78  -1.950   0.613   5.665
  569   2HB   LYS  78          2HB       LYS  78  -1.067   0.211   7.112
  570   1HG   LYS  78          1HG       LYS  78  -0.109   2.275   7.003
  571   2HG   LYS  78          2HG       LYS  78   0.826   1.632   5.678
  572   1HD   LYS  78          1HD       LYS  78  -1.600   2.371   4.442
  573   2HD   LYS  78          2HD       LYS  78  -1.399   3.581   5.705
  574   1HE   LYS  78          1HE       LYS  78  -0.378   4.434   3.679
  575   2HE   LYS  78          2HE       LYS  78   0.913   4.056   4.781
  576   1HZ   LYS  78          1HZ       LYS  78   1.164   1.963   3.558
  577   2HZ   LYS  78          2HZ       LYS  78  -0.086   2.140   2.731
  578   3HZ   LYS  78          3HZ       LYS  78   1.215   3.166   2.417
  579    HHA  HEC  90           HHA      HEC  90  -5.949   4.480   3.304
  580    HHB  HEC  90           HHB      HEC  90  -1.369   0.391   1.184
  581    HHC  HEC  90           HHC      HEC  90  -1.733   3.248  -4.611
  582    HHD  HEC  90           HHD      HEC  90  -5.565   7.816  -2.151
  583   1HMA  HEC  90          1HMA      HEC  90  -3.985  -0.675   2.676
  584   2HMA  HEC  90          2HMA      HEC  90  -2.288  -0.439   3.072
  585   3HMA  HEC  90          3HMA      HEC  90  -3.532  -0.131   4.300
  586   1HAA  HEC  90          1HAA      HEC  90  -4.789   3.354   5.039
  587   2HAA  HEC  90          2HAA      HEC  90  -4.352   1.680   5.333
  588   1HBA  HEC  90          1HBA      HEC  90  -6.511   0.907   4.449
  589   2HBA  HEC  90          2HBA      HEC  90  -6.982   2.560   4.036
  590   1HMB  HEC  90          1HMB      HEC  90  -0.021  -1.055  -1.234
  591   2HMB  HEC  90          2HMB      HEC  90   1.305   0.089  -1.435
  592   3HMB  HEC  90          3HMB      HEC  90   0.496  -0.003   0.097
  593    HAB  HEC  90           HAB      HEC  90  -0.336   1.731  -4.781
  594   1HBB  HEC  90          1HBB      HEC  90  -1.496  -0.431  -4.499
  595   2HBB  HEC  90          2HBB      HEC  90   0.074  -0.555  -5.312
  596   3HBB  HEC  90          3HBB      HEC  90  -0.084  -1.047  -3.614
  597   1HMC  HEC  90          1HMC      HEC  90  -3.720   5.207  -6.702
  598   2HMC  HEC  90          2HMC      HEC  90  -2.303   6.235  -6.336
  599   3HMC  HEC  90          3HMC      HEC  90  -2.202   4.504  -6.208
  600    HAC  HEC  90           HAC      HEC  90  -5.715   7.762  -4.603
  601   1HBC  HEC  90          1HBC      HEC  90  -4.807   7.088  -6.800
  602   2HBC  HEC  90          2HBC      HEC  90  -4.959   8.826  -6.566
  603   3HBC  HEC  90          3HBC      HEC  90  -3.365   8.104  -6.448
  604   1HMD  HEC  90          1HMD      HEC  90  -7.646   8.658  -0.405
  605   2HMD  HEC  90          2HMD      HEC  90  -6.997   9.110   1.181
  606   3HMD  HEC  90          3HMD      HEC  90  -5.994   9.287  -0.253
  607   1HAD  HEC  90          1HAD      HEC  90  -7.937   5.825   2.891
  608   2HAD  HEC  90          2HAD      HEC  90  -8.192   7.432   2.238
  609   1HBD  HEC  90          1HBD      HEC  90  -6.323   8.298   3.648
  610   2HBD  HEC  90          2HBD      HEC  90  -6.146   6.667   4.352
  Start of MODEL   23
    1   1H    ALA  -3          1H        ALA  -3   2.060  -6.565 -17.314
    2   2H    ALA  -3          2H        ALA  -3   0.798  -6.176 -18.300
    3   3H    ALA  -3          3H        ALA  -3   2.220  -5.333 -18.394
    4    HA   ALA  -3           HA       ALA  -3   0.568  -4.035 -17.294
    5   1HB   ALA  -3          1HB       ALA  -3  -0.733  -5.895 -16.370
    6   2HB   ALA  -3          2HB       ALA  -3   0.573  -6.283 -15.234
    7   3HB   ALA  -3          3HB       ALA  -3  -0.286  -4.724 -15.117
    8    H    ASP  -2           H        ASP  -2   1.661  -4.681 -14.218
    9    HA   ASP  -2           HA       ASP  -2   4.351  -3.511 -14.440
   10   1HB   ASP  -2          1HB       ASP  -2   3.328  -1.520 -13.067
   11   2HB   ASP  -2          2HB       ASP  -2   3.203  -1.546 -14.828
   12    H    LEU  -1           H        LEU  -1   4.062  -5.846 -13.473
   13    HA   LEU  -1           HA       LEU  -1   4.245  -5.530 -10.536
   14   1HB   LEU  -1          1HB       LEU  -1   3.044  -7.506 -10.090
   15   2HB   LEU  -1          2HB       LEU  -1   2.086  -6.438 -11.095
   16    HG   LEU  -1           HG       LEU  -1   1.499  -8.283 -12.122
   17   1HD1  LEU  -1          1HD1      LEU  -1   2.680  -7.250 -13.964
   18   2HD1  LEU  -1          2HD1      LEU  -1   4.192  -8.092 -13.514
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.787  -9.007 -14.071
   20   1HD2  LEU  -1          1HD2      LEU  -1   4.047  -9.803 -11.511
   21   2HD2  LEU  -1          2HD2      LEU  -1   2.612  -9.743 -10.470
   22   3HD2  LEU  -1          3HD2      LEU  -1   2.504 -10.426 -12.093
   23    H    GLN   1           H        GLN   1   6.389  -5.317 -12.193
   24    HA   GLN   1           HA       GLN   1   7.783  -7.932 -12.001
   25   1HB   GLN   1          1HB       GLN   1   7.833  -5.694 -13.881
   26   2HB   GLN   1          2HB       GLN   1   9.461  -6.032 -13.301
   27   1HG   GLN   1          1HG       GLN   1   7.575  -8.131 -14.466
   28   2HG   GLN   1          2HG       GLN   1   8.857  -7.294 -15.351
   29   1HE2  GLN   1          1HE2      GLN   1   8.208  -9.826 -12.942
   30   2HE2  GLN   1          2HE2      GLN   1   9.874 -10.377 -12.901
   31    H    ASP   2           H        ASP   2   7.810  -4.852 -10.411
   32    HA   ASP   2           HA       ASP   2   9.743  -5.952  -8.530
   33   1HB   ASP   2          1HB       ASP   2  11.109  -4.593 -10.147
   34   2HB   ASP   2          2HB       ASP   2  10.168  -3.164  -9.698
   35    H    ALA   3           H        ALA   3   9.005  -5.584  -6.564
   36    HA   ALA   3           HA       ALA   3   6.506  -4.377  -5.880
   37   1HB   ALA   3          1HB       ALA   3   7.623  -6.126  -4.671
   38   2HB   ALA   3          2HB       ALA   3   8.967  -5.036  -4.242
   39   3HB   ALA   3          3HB       ALA   3   7.328  -4.708  -3.627
   40    H    GLU   4           H        GLU   4   9.852  -3.084  -5.974
   41    HA   GLU   4           HA       GLU   4   9.272  -0.551  -4.755
   42   1HB   GLU   4          1HB       GLU   4  11.537  -1.297  -5.007
   43   2HB   GLU   4          2HB       GLU   4  11.409  -1.346  -6.767
   44   1HG   GLU   4          1HG       GLU   4  11.253   1.038  -6.937
   45   2HG   GLU   4          2HG       GLU   4  10.859   1.225  -5.228
   46    H    ALA   5           H        ALA   5   9.058  -1.801  -8.091
   47    HA   ALA   5           HA       ALA   5   8.392   0.813  -9.228
   48   1HB   ALA   5          1HB       ALA   5   9.595  -0.856 -10.556
   49   2HB   ALA   5          2HB       ALA   5   8.182  -1.942 -10.486
   50   3HB   ALA   5          3HB       ALA   5   8.062  -0.373 -11.310
   51    H    ILE   6           H        ILE   6   6.568  -2.032  -8.075
   52    HA   ILE   6           HA       ILE   6   3.996  -1.166  -9.029
   53    HB   ILE   6           HB       ILE   6   4.883  -2.818  -6.638
   54   1HG1  ILE   6          1HG1      ILE   6   3.249  -3.727  -9.016
   55   2HG1  ILE   6          2HG1      ILE   6   5.014  -3.632  -9.136
   56   1HG2  ILE   6          1HG2      ILE   6   2.703  -1.806  -5.997
   57   2HG2  ILE   6          2HG2      ILE   6   2.020  -2.249  -7.575
   58   3HG2  ILE   6          3HG2      ILE   6   2.446  -3.491  -6.392
   59   1HD1  ILE   6          1HD1      ILE   6   5.362  -5.273  -7.510
   60   2HD1  ILE   6          2HD1      ILE   6   3.714  -5.179  -6.858
   61   3HD1  ILE   6          3HD1      ILE   6   3.996  -5.897  -8.439
   62    H    TYR   7           H        TYR   7   5.652  -0.631  -5.776
   63    HA   TYR   7           HA       TYR   7   3.455   1.047  -5.111
   64   1HB   TYR   7          1HB       TYR   7   4.253   1.206  -2.995
   65   2HB   TYR   7          2HB       TYR   7   5.175  -0.185  -3.519
   66    HD1  TYR   7           HD1      TYR   7   7.563  -0.051  -3.463
   67    HD2  TYR   7           HD2      TYR   7   5.215   3.518  -2.974
   68    HE1  TYR   7           HE1      TYR   7   9.640   1.327  -3.402
   69    HE2  TYR   7           HE2      TYR   7   7.284   4.877  -2.876
   70    HH   TYR   7           HH       TYR   7   9.543   4.880  -3.220
   71    H    ASN   8           H        ASN   8   6.674   1.792  -6.327
   72    HA   ASN   8           HA       ASN   8   6.488   4.613  -6.133
   73   1HB   ASN   8          1HB       ASN   8   8.549   3.191  -6.183
   74   2HB   ASN   8          2HB       ASN   8   8.258   2.898  -7.911
   75   1HD2  ASN   8          1HD2      ASN   8  10.154   3.872  -8.643
   76   2HD2  ASN   8          2HD2      ASN   8  10.450   5.593  -8.431
   77    H    LYS   9           H        LYS   9   5.366   2.395  -8.691
   78    HA   LYS   9           HA       LYS   9   4.635   4.695 -10.399
   79   1HB   LYS   9          1HB       LYS   9   5.433   2.530 -11.316
   80   2HB   LYS   9          2HB       LYS   9   3.931   1.765 -10.777
   81   1HG   LYS   9          1HG       LYS   9   3.812   4.272 -12.476
   82   2HG   LYS   9          2HG       LYS   9   4.290   2.772 -13.256
   83   1HD   LYS   9          1HD       LYS   9   1.722   2.951 -11.621
   84   2HD   LYS   9          2HD       LYS   9   1.777   3.451 -13.298
   85   1HE   LYS   9          1HE       LYS   9   2.930   0.738 -12.689
   86   2HE   LYS   9          2HE       LYS   9   1.197   0.915 -12.418
   87   1HZ   LYS   9          1HZ       LYS   9   0.990   1.759 -14.681
   88   2HZ   LYS   9          2HZ       LYS   9   2.588   1.426 -14.968
   89   3HZ   LYS   9          3HZ       LYS   9   1.517   0.232 -14.626
   90    H    ALA  10           H        ALA  10   3.132   2.603  -7.956
   91    HA   ALA  10           HA       ALA  10   0.423   3.591  -8.701
   92   1HB   ALA  10          1HB       ALA  10   0.694   1.171  -8.538
   93   2HB   ALA  10          2HB       ALA  10   1.200   1.331  -6.832
   94   3HB   ALA  10          3HB       ALA  10  -0.397   1.877  -7.317
   95    H    CYS  11           H        CYS  11   2.083   2.954  -5.526
   96    HA   CYS  11           HA       CYS  11   0.101   4.640  -4.155
   97   1HB   CYS  11          1HB       CYS  11   2.437   3.675  -2.639
   98   2HB   CYS  11          2HB       CYS  11   0.726   3.555  -2.276
   99    H    THR  12           H        THR  12   1.492   6.061  -6.038
  100    HA   THR  12           HA       THR  12   3.584   7.661  -4.679
  101    HB   THR  12           HB       THR  12   4.247   5.967  -6.458
  102    HG1  THR  12           HG1      THR  12   4.780   8.501  -7.406
  103   1HG2  THR  12          1HG2      THR  12   2.283   6.345  -7.986
  104   2HG2  THR  12          2HG2      THR  12   2.852   7.989  -8.320
  105   3HG2  THR  12          3HG2      THR  12   3.817   6.613  -8.821
  106    H    VAL  13           H        VAL  13   0.555   7.804  -5.911
  107    HA   VAL  13           HA       VAL  13   0.702  10.540  -7.022
  108    HB   VAL  13           HB       VAL  13  -1.573   8.493  -6.783
  109   1HG1  VAL  13          1HG1      VAL  13  -2.329  10.801  -6.967
  110   2HG1  VAL  13          2HG1      VAL  13  -1.224  11.062  -8.339
  111   3HG1  VAL  13          3HG1      VAL  13  -2.613   9.946  -8.500
  112   1HG2  VAL  13          1HG2      VAL  13   0.275   9.108  -9.127
  113   2HG2  VAL  13          2HG2      VAL  13   0.153   7.567  -8.252
  114   3HG2  VAL  13          3HG2      VAL  13  -1.207   8.134  -9.217
  115    H    CYS  14           H        CYS  14  -1.066   8.608  -4.652
  116    HA   CYS  14           HA       CYS  14  -2.144  10.922  -3.250
  117   1HB   CYS  14          1HB       CYS  14  -2.480   7.948  -2.885
  118   2HB   CYS  14          2HB       CYS  14  -3.569   9.226  -2.274
  119    H    HIS  15           H        HIS  15  -0.284   7.981  -2.346
  120    HA   HIS  15           HA       HIS  15  -0.032   8.752   0.430
  121   1HB   HIS  15          1HB       HIS  15   1.209   6.603  -1.319
  122   2HB   HIS  15          2HB       HIS  15   1.648   6.803   0.365
  123    HD1  HIS  15           HD1      HIS  15   0.563   5.161   1.785
  124    HD2  HIS  15           HD2      HIS  15  -1.688   6.184  -1.586
  125    HE1  HIS  15           HE1      HIS  15  -1.398   3.528   1.730
  126    H    SER  16           H        SER  16   1.910   9.459  -2.348
  127    HA   SER  16           HA       SER  16   4.502   9.536  -1.168
  128   1HB   SER  16          1HB       SER  16   3.943   9.465  -3.597
  129   2HB   SER  16          2HB       SER  16   3.598  11.202  -3.546
  130    HG   SER  16           HG       SER  16   5.821  10.522  -4.113
  131    H    MET  17           H        MET  17   2.009  11.951  -1.607
  132    HA   MET  17           HA       MET  17   3.431  13.927   0.124
  133   1HB   MET  17          1HB       MET  17   2.793  14.221  -2.525
  134   2HB   MET  17          2HB       MET  17   1.304  14.814  -1.782
  135   1HG   MET  17          1HG       MET  17   2.730  16.686  -2.078
  136   2HG   MET  17          2HG       MET  17   2.816  16.330  -0.347
  137   1HE   MET  17          1HE       MET  17   4.767  18.239  -1.992
  138   2HE   MET  17          2HE       MET  17   4.955  17.950  -0.240
  139   3HE   MET  17          3HE       MET  17   6.355  17.777  -1.329
  140    H    GLY  18           H        GLY  18   0.370  12.222  -0.480
  141   1HA   GLY  18          1HA       GLY  18  -1.363  11.882   1.004
  142   2HA   GLY  18          2HA       GLY  18  -0.729  13.099   2.099
  143    H    VAL  19           H        VAL  19  -2.010  12.979  -1.273
  144    HA   VAL  19           HA       VAL  19  -3.246  15.639  -0.936
  145    HB   VAL  19           HB       VAL  19  -3.286  13.742  -3.320
  146   1HG1  VAL  19          1HG1      VAL  19  -5.208  15.283  -3.433
  147   2HG1  VAL  19          2HG1      VAL  19  -4.150  16.663  -3.068
  148   3HG1  VAL  19          3HG1      VAL  19  -3.980  15.779  -4.597
  149   1HG2  VAL  19          1HG2      VAL  19  -1.620  16.237  -2.754
  150   2HG2  VAL  19          2HG2      VAL  19  -1.010  14.567  -2.819
  151   3HG2  VAL  19          3HG2      VAL  19  -1.641  15.334  -4.283
  152    H    ALA  20           H        ALA  20  -4.582  12.467  -1.680
  153    HA   ALA  20           HA       ALA  20  -7.337  13.420  -1.206
  154   1HB   ALA  20          1HB       ALA  20  -6.789  11.907  -3.039
  155   2HB   ALA  20          2HB       ALA  20  -6.135  10.721  -1.890
  156   3HB   ALA  20          3HB       ALA  20  -7.881  11.098  -1.884
  157    H    GLY  21           H        GLY  21  -5.443  13.565   0.970
  158   1HA   GLY  21          1HA       GLY  21  -5.188  13.053   3.222
  159   2HA   GLY  21          2HA       GLY  21  -6.798  12.314   3.196
  160    H    ALA  22           H        ALA  22  -4.257  11.214   1.019
  161    HA   ALA  22           HA       ALA  22  -4.375   8.536   2.030
  162   1HB   ALA  22          1HB       ALA  22  -3.983   8.713  -0.266
  163   2HB   ALA  22          2HB       ALA  22  -2.716   9.927  -0.058
  164   3HB   ALA  22          3HB       ALA  22  -2.415   8.227   0.360
  165    HA   PRO  23           HA       PRO  23  -1.480   8.829   5.225
  166   1HB   PRO  23          1HB       PRO  23  -0.705   6.260   5.627
  167   2HB   PRO  23          2HB       PRO  23  -2.417   6.776   5.811
  168   1HG   PRO  23          1HG       PRO  23  -1.109   5.529   3.412
  169   2HG   PRO  23          2HG       PRO  23  -2.643   5.001   4.145
  170   1HD   PRO  23          1HD       PRO  23  -2.712   6.611   2.019
  171   2HD   PRO  23          2HD       PRO  23  -3.830   6.850   3.395
  172    H    LYS  24           H        LYS  24   0.631   9.155   5.720
  173    HA   LYS  24           HA       LYS  24   2.358   9.874   3.689
  174   1HB   LYS  24          1HB       LYS  24   2.482   9.616   6.621
  175   2HB   LYS  24          2HB       LYS  24   4.066   9.475   5.891
  176   1HG   LYS  24          1HG       LYS  24   2.423  11.737   4.840
  177   2HG   LYS  24          2HG       LYS  24   2.843  11.837   6.550
  178   1HD   LYS  24          1HD       LYS  24   5.178  11.662   6.150
  179   2HD   LYS  24          2HD       LYS  24   4.957  11.181   4.460
  180   1HE   LYS  24          1HE       LYS  24   4.681  13.295   3.699
  181   2HE   LYS  24          2HE       LYS  24   3.689  13.794   5.073
  182   1HZ   LYS  24          1HZ       LYS  24   5.641  14.097   6.375
  183   2HZ   LYS  24          2HZ       LYS  24   6.624  13.523   5.185
  184   3HZ   LYS  24          3HZ       LYS  24   5.816  14.940   4.976
  185    H    SER  25           H        SER  25   3.760   9.047   2.401
  186    HA   SER  25           HA       SER  25   4.200   6.862   1.367
  187   1HB   SER  25          1HB       SER  25   6.746   8.265   2.302
  188   2HB   SER  25          2HB       SER  25   6.435   7.443   0.758
  189    HG   SER  25           HG       SER  25   6.170   9.700   0.500
  190    H    HIS  26           H        HIS  26   6.535   7.189   4.063
  191    HA   HIS  26           HA       HIS  26   5.744   4.595   5.028
  192   1HB   HIS  26          1HB       HIS  26   7.711   3.435   4.927
  193   2HB   HIS  26          2HB       HIS  26   7.417   3.984   3.273
  194    HD1  HIS  26           HD1      HIS  26   8.865   6.689   3.149
  195    HD2  HIS  26           HD2      HIS  26  10.243   3.413   5.393
  196    HE1  HIS  26           HE1      HIS  26  11.351   7.094   3.582
  197    H    ASN  27           H        ASN  27   5.382   5.089   7.062
  198    HA   ASN  27           HA       ASN  27   7.521   6.311   8.677
  199   1HB   ASN  27          1HB       ASN  27   5.837   7.714   9.718
  200   2HB   ASN  27          2HB       ASN  27   6.053   8.195   8.025
  201   1HD2  ASN  27          1HD2      ASN  27   4.106   7.198   6.512
  202   2HD2  ASN  27          2HD2      ASN  27   2.593   7.203   7.369
  203    H    THR  28           H        THR  28   6.563   6.262  11.100
  204    HA   THR  28           HA       THR  28   5.356   3.562  11.534
  205    HB   THR  28           HB       THR  28   7.548   3.994  12.541
  206    HG1  THR  28           HG1      THR  28   6.713   3.305  14.657
  207   1HG2  THR  28          1HG2      THR  28   7.231   6.409  13.207
  208   2HG2  THR  28          2HG2      THR  28   6.042   5.877  14.423
  209   3HG2  THR  28          3HG2      THR  28   7.730   5.362  14.544
  210    H    ALA  29           H        ALA  29   4.689   7.043  12.062
  211    HA   ALA  29           HA       ALA  29   2.826   6.754  14.152
  212   1HB   ALA  29          1HB       ALA  29   3.804   8.878  13.467
  213   2HB   ALA  29          2HB       ALA  29   2.942   8.801  11.910
  214   3HB   ALA  29          3HB       ALA  29   2.027   8.971  13.429
  215    H    ASP  30           H        ASP  30   2.141   6.923  10.668
  216    HA   ASP  30           HA       ASP  30  -0.734   6.519  10.938
  217   1HB   ASP  30          1HB       ASP  30   0.706   7.944   9.262
  218   2HB   ASP  30          2HB       ASP  30   0.940   6.417   8.398
  219    H    TRP  31           H        TRP  31   2.142   4.600  10.561
  220    HA   TRP  31           HA       TRP  31   0.715   2.182   9.626
  221   1HB   TRP  31          1HB       TRP  31   3.576   2.828  10.204
  222   2HB   TRP  31          2HB       TRP  31   3.019   1.233   9.667
  223    HD1  TRP  31           HD1      TRP  31   3.084   4.886   8.420
  224    HE1  TRP  31           HE1      TRP  31   3.135   5.003   5.883
  225    HE3  TRP  31           HE3      TRP  31   2.912  -0.123   7.448
  226    HZ2  TRP  31           HZ2      TRP  31   3.130   3.152   3.700
  227    HZ3  TRP  31           HZ3      TRP  31   2.955  -0.901   5.054
  228    HH2  TRP  31           HH2      TRP  31   3.000   0.710   3.237
  229    H    GLU  32           H        GLU  32   1.821   3.504  12.751
  230    HA   GLU  32           HA       GLU  32   1.826   1.231  14.335
  231   1HB   GLU  32          1HB       GLU  32   1.147   4.128  14.855
  232   2HB   GLU  32          2HB       GLU  32   0.703   2.924  16.061
  233   1HG   GLU  32          1HG       GLU  32   3.305   2.177  15.649
  234   2HG   GLU  32          2HG       GLU  32   3.404   3.912  15.332
  235    HA   PRO  33           HA       PRO  33  -2.882   1.183  15.002
  236   1HB   PRO  33          1HB       PRO  33  -4.598   2.675  13.487
  237   2HB   PRO  33          2HB       PRO  33  -3.763   3.318  14.926
  238   1HG   PRO  33          1HG       PRO  33  -2.869   3.592  12.036
  239   2HG   PRO  33          2HG       PRO  33  -3.099   4.901  13.234
  240   1HD   PRO  33          1HD       PRO  33  -0.685   3.849  12.793
  241   2HD   PRO  33          2HD       PRO  33  -1.186   4.222  14.463
  242    H    ARG  34           H        ARG  34  -1.089   0.541  12.326
  243    HA   ARG  34           HA       ARG  34  -3.153  -1.226  11.096
  244   1HB   ARG  34          1HB       ARG  34  -0.526  -0.235   9.901
  245   2HB   ARG  34          2HB       ARG  34  -1.794  -1.128   9.084
  246   1HG   ARG  34          1HG       ARG  34  -2.198   1.669  10.274
  247   2HG   ARG  34          2HG       ARG  34  -1.706   1.372   8.634
  248   1HD   ARG  34          1HD       ARG  34  -3.786   0.732   7.946
  249   2HD   ARG  34          2HD       ARG  34  -4.052  -0.239   9.397
  250    HE   ARG  34           HE       ARG  34  -4.205   2.521  10.101
  251   1HH1  ARG  34          2HH1      ARG  34  -6.043   0.049   8.407
  252   2HH1  ARG  34          1HH1      ARG  34  -7.588   0.588   8.997
  253   1HH2  ARG  34          1HH2      ARG  34  -6.247   3.294  10.800
  254   2HH2  ARG  34          2HH2      ARG  34  -7.693   2.447  10.335
  255    H    LEU  35           H        LEU  35   0.254  -0.984  12.104
  256    HA   LEU  35           HA       LEU  35   0.807  -3.795  12.292
  257   1HB   LEU  35          1HB       LEU  35   2.026  -1.222  13.360
  258   2HB   LEU  35          2HB       LEU  35   2.726  -2.779  13.800
  259    HG   LEU  35           HG       LEU  35   2.216  -2.153  10.896
  260   1HD1  LEU  35          1HD1      LEU  35   3.513  -0.250  11.713
  261   2HD1  LEU  35          2HD1      LEU  35   4.697  -1.346  12.456
  262   3HD1  LEU  35          3HD1      LEU  35   4.506  -1.300  10.688
  263   1HD2  LEU  35          1HD2      LEU  35   4.367  -3.813  12.299
  264   2HD2  LEU  35          2HD2      LEU  35   2.838  -4.500  11.716
  265   3HD2  LEU  35          3HD2      LEU  35   3.970  -3.790  10.571
  266    H    ALA  36           H        ALA  36  -1.579  -2.481  13.903
  267    HA   ALA  36           HA       ALA  36  -1.009  -3.607  16.586
  268   1HB   ALA  36          1HB       ALA  36  -1.905  -1.314  16.496
  269   2HB   ALA  36          2HB       ALA  36  -3.299  -1.882  15.552
  270   3HB   ALA  36          3HB       ALA  36  -3.077  -2.430  17.229
  271    H    LYS  37           H        LYS  37  -2.813  -4.031  13.603
  272    HA   LYS  37           HA       LYS  37  -4.545  -6.182  14.719
  273   1HB   LYS  37          1HB       LYS  37  -4.433  -4.690  12.073
  274   2HB   LYS  37          2HB       LYS  37  -5.538  -6.042  12.379
  275   1HG   LYS  37          1HG       LYS  37  -5.478  -3.679  14.273
  276   2HG   LYS  37          2HG       LYS  37  -6.326  -3.544  12.737
  277   1HD   LYS  37          1HD       LYS  37  -8.015  -4.922  13.332
  278   2HD   LYS  37          2HD       LYS  37  -6.966  -6.056  14.199
  279   1HE   LYS  37          1HE       LYS  37  -6.866  -4.669  16.156
  280   2HE   LYS  37          2HE       LYS  37  -7.665  -3.316  15.337
  281   1HZ   LYS  37          1HZ       LYS  37  -9.664  -4.603  15.205
  282   2HZ   LYS  37          2HZ       LYS  37  -8.943  -5.927  15.863
  283   3HZ   LYS  37          3HZ       LYS  37  -9.165  -4.573  16.769
  284    H    GLY  38           H        GLY  38  -2.293  -5.629  11.966
  285   1HA   GLY  38          1HA       GLY  38  -0.627  -7.842  12.259
  286   2HA   GLY  38          2HA       GLY  38  -2.020  -8.431  11.340
  287    H    VAL  39           H        VAL  39  -1.140  -8.636   9.319
  288    HA   VAL  39           HA       VAL  39  -0.037  -6.210   7.941
  289    HB   VAL  39           HB       VAL  39   1.074  -9.060   7.840
  290   1HG1  VAL  39          1HG1      VAL  39   1.325  -7.829   5.686
  291   2HG1  VAL  39          2HG1      VAL  39   2.151  -6.519   6.557
  292   3HG1  VAL  39          3HG1      VAL  39   2.870  -8.134   6.490
  293   1HG2  VAL  39          1HG2      VAL  39   2.064  -6.577   9.259
  294   2HG2  VAL  39          2HG2      VAL  39   1.736  -8.176   9.945
  295   3HG2  VAL  39          3HG2      VAL  39   3.119  -7.952   8.868
  296    H    ASP  40           H        ASP  40  -0.853  -9.618   7.184
  297    HA   ASP  40           HA       ASP  40  -1.764  -9.125   4.628
  298   1HB   ASP  40          1HB       ASP  40  -2.530 -11.457   6.404
  299   2HB   ASP  40          2HB       ASP  40  -2.281 -11.464   4.650
  300    H    ASN  41           H        ASN  41  -3.298  -7.721   7.008
  301    HA   ASN  41           HA       ASN  41  -6.120  -8.249   6.391
  302   1HB   ASN  41          1HB       ASN  41  -5.181  -5.960   8.096
  303   2HB   ASN  41          2HB       ASN  41  -6.531  -7.014   8.433
  304   1HD2  ASN  41          1HD2      ASN  41  -4.569  -5.933  10.198
  305   2HD2  ASN  41          2HD2      ASN  41  -3.778  -7.313  10.935
  306    H    LEU  42           H        LEU  42  -3.538  -6.132   5.564
  307    HA   LEU  42           HA       LEU  42  -5.331  -3.919   4.667
  308   1HB   LEU  42          1HB       LEU  42  -2.364  -4.198   5.180
  309   2HB   LEU  42          2HB       LEU  42  -3.152  -2.711   4.662
  310    HG   LEU  42           HG       LEU  42  -4.364  -4.018   7.084
  311   1HD1  LEU  42          1HD1      LEU  42  -1.945  -4.398   7.482
  312   2HD1  LEU  42          2HD1      LEU  42  -1.684  -2.651   7.291
  313   3HD1  LEU  42          3HD1      LEU  42  -2.682  -3.269   8.630
  314   1HD2  LEU  42          1HD2      LEU  42  -3.527  -1.158   6.576
  315   2HD2  LEU  42          2HD2      LEU  42  -5.118  -1.832   6.163
  316   3HD2  LEU  42          3HD2      LEU  42  -4.599  -1.783   7.853
  317    H    VAL  43           H        VAL  43  -2.702  -6.081   3.553
  318    HA   VAL  43           HA       VAL  43  -2.707  -5.415   0.833
  319    HB   VAL  43           HB       VAL  43  -1.226  -7.040   2.192
  320   1HG1  VAL  43          1HG1      VAL  43  -3.100  -8.619   2.807
  321   2HG1  VAL  43          2HG1      VAL  43  -3.166  -9.123   1.105
  322   3HG1  VAL  43          3HG1      VAL  43  -1.693  -9.388   2.050
  323   1HG2  VAL  43          1HG2      VAL  43  -2.032  -7.684  -0.668
  324   2HG2  VAL  43          2HG2      VAL  43  -0.855  -6.467  -0.119
  325   3HG2  VAL  43          3HG2      VAL  43  -0.528  -8.191   0.132
  326    H    LYS  44           H        LYS  44  -5.049  -7.458   2.653
  327    HA   LYS  44           HA       LYS  44  -6.536  -8.181   0.353
  328   1HB   LYS  44          1HB       LYS  44  -8.455  -8.556   1.877
  329   2HB   LYS  44          2HB       LYS  44  -6.982  -9.478   2.209
  330   1HG   LYS  44          1HG       LYS  44  -6.481  -8.364   4.111
  331   2HG   LYS  44          2HG       LYS  44  -7.238  -6.851   3.585
  332   1HD   LYS  44          1HD       LYS  44  -8.977  -9.239   4.176
  333   2HD   LYS  44          2HD       LYS  44  -8.326  -8.264   5.511
  334   1HE   LYS  44          1HE       LYS  44  -9.254  -6.230   4.707
  335   2HE   LYS  44          2HE       LYS  44  -9.735  -6.939   3.159
  336   1HZ   LYS  44          1HZ       LYS  44 -11.333  -8.300   4.314
  337   2HZ   LYS  44          2HZ       LYS  44 -10.872  -7.700   5.775
  338   3HZ   LYS  44          3HZ       LYS  44 -11.601  -6.718   4.676
  339    H    SER  45           H        SER  45  -6.604  -5.156   2.271
  340    HA   SER  45           HA       SER  45  -9.117  -4.215   1.135
  341   1HB   SER  45          1HB       SER  45  -6.894  -2.842   2.683
  342   2HB   SER  45          2HB       SER  45  -8.426  -2.098   2.229
  343    HG   SER  45           HG       SER  45  -8.397  -2.994   4.347
  344    H    VAL  46           H        VAL  46  -5.635  -3.848   0.519
  345    HA   VAL  46           HA       VAL  46  -5.684  -1.929  -1.531
  346    HB   VAL  46           HB       VAL  46  -3.948  -4.239  -0.815
  347   1HG1  VAL  46          1HG1      VAL  46  -3.635  -4.143  -3.226
  348   2HG1  VAL  46          2HG1      VAL  46  -3.389  -2.377  -3.127
  349   3HG1  VAL  46          3HG1      VAL  46  -2.210  -3.492  -2.410
  350   1HG2  VAL  46          1HG2      VAL  46  -3.112  -1.388  -0.846
  351   2HG2  VAL  46          2HG2      VAL  46  -3.977  -2.119   0.538
  352   3HG2  VAL  46          3HG2      VAL  46  -2.411  -2.767   0.019
  353    H    LYS  47           H        LYS  47  -5.877  -5.511  -1.825
  354    HA   LYS  47           HA       LYS  47  -6.466  -5.571  -4.627
  355   1HB   LYS  47          1HB       LYS  47  -6.436  -7.749  -4.443
  356   2HB   LYS  47          2HB       LYS  47  -5.772  -7.333  -2.862
  357   1HG   LYS  47          1HG       LYS  47  -8.413  -7.436  -2.210
  358   2HG   LYS  47          2HG       LYS  47  -8.490  -8.458  -3.619
  359   1HD   LYS  47          1HD       LYS  47  -6.258  -8.949  -1.643
  360   2HD   LYS  47          2HD       LYS  47  -7.901  -9.177  -1.043
  361   1HE   LYS  47          1HE       LYS  47  -7.747 -10.575  -3.563
  362   2HE   LYS  47          2HE       LYS  47  -6.271 -10.953  -2.676
  363   1HZ   LYS  47          1HZ       LYS  47  -7.636 -11.600  -0.797
  364   2HZ   LYS  47          2HZ       LYS  47  -9.013 -11.248  -1.629
  365   3HZ   LYS  47          3HZ       LYS  47  -8.041 -12.480  -2.125
  366    H    THR  48           H        THR  48  -8.663  -5.201  -1.878
  367    HA   THR  48           HA       THR  48 -11.056  -5.413  -3.444
  368    HB   THR  48           HB       THR  48 -10.513  -4.136  -0.744
  369    HG1  THR  48           HG1      THR  48 -11.368  -6.130  -0.055
  370   1HG2  THR  48          1HG2      THR  48 -12.643  -3.237  -1.540
  371   2HG2  THR  48          2HG2      THR  48 -13.168  -4.859  -2.050
  372   3HG2  THR  48          3HG2      THR  48 -12.951  -4.485  -0.328
  373    H    GLY  49           H        GLY  49  -8.943  -2.555  -2.744
  374   1HA   GLY  49          1HA       GLY  49  -9.060  -0.474  -3.761
  375   2HA   GLY  49          2HA       GLY  49 -10.456  -0.980  -4.711
  376    H    LEU  50           H        LEU  50  -9.374   0.206  -1.603
  377    HA   LEU  50           HA       LEU  50 -11.873   0.760  -0.324
  378   1HB   LEU  50          1HB       LEU  50  -9.080   1.159   0.111
  379   2HB   LEU  50          2HB       LEU  50  -9.763   2.737   0.181
  380    HG   LEU  50           HG       LEU  50  -9.471   1.660   2.346
  381   1HD1  LEU  50          1HD1      LEU  50 -11.309   3.308   2.066
  382   2HD1  LEU  50          2HD1      LEU  50 -12.441   1.949   1.799
  383   3HD1  LEU  50          3HD1      LEU  50 -11.608   2.127   3.353
  384   1HD2  LEU  50          1HD2      LEU  50 -11.637  -0.355   1.650
  385   2HD2  LEU  50          2HD2      LEU  50  -9.908  -0.680   1.448
  386   3HD2  LEU  50          3HD2      LEU  50 -10.560  -0.311   3.058
  387    H    ASN  51           H        ASN  51 -12.466   3.183   0.128
  388    HA   ASN  51           HA       ASN  51 -13.950   4.030  -2.023
  389   1HB   ASN  51          1HB       ASN  51 -12.862   5.836   0.208
  390   2HB   ASN  51          2HB       ASN  51 -14.158   6.300  -0.908
  391   1HD2  ASN  51          1HD2      ASN  51 -13.214   4.292   1.757
  392   2HD2  ASN  51          2HD2      ASN  51 -14.367   3.069   1.340
  393    H    ALA  52           H        ALA  52 -11.039   5.673  -0.950
  394    HA   ALA  52           HA       ALA  52 -10.685   7.005  -3.591
  395   1HB   ALA  52          1HB       ALA  52 -10.930   8.320  -1.559
  396   2HB   ALA  52          2HB       ALA  52  -9.634   7.423  -0.779
  397   3HB   ALA  52          3HB       ALA  52  -9.266   8.494  -2.181
  398    H    MET  53           H        MET  53 -10.100   4.086  -2.993
  399    HA   MET  53           HA       MET  53  -7.194   4.091  -3.689
  400   1HB   MET  53          1HB       MET  53  -8.859   2.486  -1.857
  401   2HB   MET  53          2HB       MET  53  -7.628   1.589  -2.735
  402   1HG   MET  53          1HG       MET  53  -6.740   4.154  -1.505
  403   2HG   MET  53          2HG       MET  53  -7.175   2.886  -0.362
  404   1HE   MET  53          1HE       MET  53  -5.860   0.966   0.321
  405   2HE   MET  53          2HE       MET  53  -6.369   0.172  -1.172
  406   3HE   MET  53          3HE       MET  53  -4.679   0.100  -0.682
  407    HA   PRO  54           HA       PRO  54  -8.660   2.154  -7.478
  408   1HB   PRO  54          1HB       PRO  54  -6.197   1.541  -8.591
  409   2HB   PRO  54          2HB       PRO  54  -6.918   3.174  -8.584
  410   1HG   PRO  54          1HG       PRO  54  -4.852   2.048  -6.691
  411   2HG   PRO  54          2HG       PRO  54  -4.893   3.649  -7.488
  412   1HD   PRO  54          1HD       PRO  54  -5.651   3.123  -4.904
  413   2HD   PRO  54          2HD       PRO  54  -6.399   4.438  -5.863
  414    HA   PRO  55           HA       PRO  55  -8.768  -2.112  -6.414
  415   1HB   PRO  55          1HB       PRO  55  -8.768  -3.459  -8.803
  416   2HB   PRO  55          2HB       PRO  55 -10.139  -2.449  -8.260
  417   1HG   PRO  55          1HG       PRO  55  -7.882  -1.644 -10.117
  418   2HG   PRO  55          2HG       PRO  55  -9.637  -1.449 -10.390
  419   1HD   PRO  55          1HD       PRO  55  -8.135   0.583  -9.440
  420   2HD   PRO  55          2HD       PRO  55  -9.771   0.308  -8.778
  421    H    GLY  56           H        GLY  56  -7.179  -3.463  -5.595
  422   1HA   GLY  56          1HA       GLY  56  -5.023  -4.317  -5.266
  423   2HA   GLY  56          2HA       GLY  56  -5.018  -4.476  -7.018
  424    H    GLY  57           H        GLY  57  -5.291  -1.544  -5.038
  425   1HA   GLY  57          1HA       GLY  57  -3.991   0.373  -4.952
  426   2HA   GLY  57          2HA       GLY  57  -2.659  -0.754  -4.690
  427    H    MET  58           H        MET  58  -4.689  -0.168  -7.561
  428    HA   MET  58           HA       MET  58  -4.321   0.535  -9.634
  429   1HB   MET  58          1HB       MET  58  -3.084   2.448  -8.150
  430   2HB   MET  58          2HB       MET  58  -1.703   1.909  -9.079
  431   1HG   MET  58          1HG       MET  58  -4.218   2.485 -10.611
  432   2HG   MET  58          2HG       MET  58  -3.378   3.843  -9.891
  433   1HE   MET  58          1HE       MET  58  -3.750   1.811 -12.963
  434   2HE   MET  58          2HE       MET  58  -4.036   3.575 -12.944
  435   3HE   MET  58          3HE       MET  58  -2.741   2.888 -13.956
  436    H    CYS  59           H        CYS  59  -3.471  -2.034  -8.940
  437    HA   CYS  59           HA       CYS  59  -1.455  -2.507 -11.105
  438   1HB   CYS  59          1HB       CYS  59  -0.634  -2.924  -8.747
  439   2HB   CYS  59          2HB       CYS  59  -1.859  -4.199  -8.626
  440    H    THR  60           H        THR  60  -1.859  -4.210 -12.491
  441    HA   THR  60           HA       THR  60  -4.638  -5.059 -12.740
  442    HB   THR  60           HB       THR  60  -2.226  -5.852 -14.405
  443    HG1  THR  60           HG1      THR  60  -3.086  -4.123 -15.734
  444   1HG2  THR  60          1HG2      THR  60  -4.208  -7.273 -14.826
  445   2HG2  THR  60          2HG2      THR  60  -5.206  -5.822 -15.044
  446   3HG2  THR  60          3HG2      THR  60  -3.895  -6.190 -16.186
  447    H    ASP  61           H        ASP  61  -1.717  -7.147 -12.956
  448    HA   ASP  61           HA       ASP  61  -3.163  -9.296 -11.464
  449   1HB   ASP  61          1HB       ASP  61  -1.071  -9.435 -13.677
  450   2HB   ASP  61          2HB       ASP  61  -1.829 -10.815 -12.869
  451    H    CYS  62           H        CYS  62  -1.743  -7.332  -9.951
  452    HA   CYS  62           HA       CYS  62   0.857  -8.337  -9.178
  453   1HB   CYS  62          1HB       CYS  62  -1.202  -6.602  -7.819
  454   2HB   CYS  62          2HB       CYS  62   0.167  -7.268  -6.914
  455    H    THR  63           H        THR  63   1.480  -9.925  -7.830
  456    HA   THR  63           HA       THR  63  -0.575 -11.733  -6.623
  457    HB   THR  63           HB       THR  63   2.340 -12.256  -7.378
  458    HG1  THR  63           HG1      THR  63   1.273 -12.025  -9.250
  459   1HG2  THR  63          1HG2      THR  63   1.509 -13.854  -5.666
  460   2HG2  THR  63          2HG2      THR  63   0.050 -14.147  -6.650
  461   3HG2  THR  63          3HG2      THR  63   1.649 -14.637  -7.242
  462    H    ASP  64           H        ASP  64  -0.005 -12.546  -4.400
  463    HA   ASP  64           HA       ASP  64   0.731 -10.741  -2.510
  464   1HB   ASP  64          1HB       ASP  64   0.715 -13.721  -2.734
  465   2HB   ASP  64          2HB       ASP  64   1.490 -13.001  -1.322
  466    H    GLU  65           H        GLU  65   3.068 -12.820  -4.268
  467    HA   GLU  65           HA       GLU  65   5.351 -12.186  -2.743
  468   1HB   GLU  65          1HB       GLU  65   6.659 -12.819  -4.673
  469   2HB   GLU  65          2HB       GLU  65   5.387 -13.993  -4.338
  470   1HG   GLU  65          1HG       GLU  65   4.093 -13.275  -6.249
  471   2HG   GLU  65          2HG       GLU  65   5.129 -11.861  -6.511
  472    H    ASP  66           H        ASP  66   3.757 -10.316  -5.319
  473    HA   ASP  66           HA       ASP  66   5.807  -8.222  -5.231
  474   1HB   ASP  66          1HB       ASP  66   3.232  -7.779  -6.680
  475   2HB   ASP  66          2HB       ASP  66   4.927  -7.461  -7.123
  476    H    TYR  67           H        TYR  67   2.357  -8.656  -4.270
  477    HA   TYR  67           HA       TYR  67   1.893  -5.952  -3.478
  478   1HB   TYR  67          1HB       TYR  67   0.643  -8.590  -2.629
  479   2HB   TYR  67          2HB       TYR  67   0.148  -7.051  -1.962
  480    HD1  TYR  67           HD1      TYR  67  -0.356  -5.130  -3.717
  481    HD2  TYR  67           HD2      TYR  67  -1.006  -9.362  -4.113
  482    HE1  TYR  67           HE1      TYR  67  -2.202  -4.701  -5.313
  483    HE2  TYR  67           HE2      TYR  67  -2.924  -8.926  -5.616
  484    HH   TYR  67           HH       TYR  67  -3.904  -7.356  -6.955
  485    H    LYS  68           H        LYS  68   2.917  -8.782  -1.550
  486    HA   LYS  68           HA       LYS  68   2.921  -7.352   0.967
  487   1HB   LYS  68          1HB       LYS  68   3.947 -10.051   0.158
  488   2HB   LYS  68          2HB       LYS  68   4.448  -9.284   1.662
  489   1HG   LYS  68          1HG       LYS  68   1.998  -8.916   2.262
  490   2HG   LYS  68          2HG       LYS  68   1.567  -9.811   0.793
  491   1HD   LYS  68          1HD       LYS  68   1.449 -11.395   2.548
  492   2HD   LYS  68          2HD       LYS  68   2.975 -11.720   1.708
  493   1HE   LYS  68          1HE       LYS  68   3.924  -9.999   3.624
  494   2HE   LYS  68          2HE       LYS  68   2.436 -10.480   4.442
  495   1HZ   LYS  68          1HZ       LYS  68   3.154 -12.762   4.213
  496   2HZ   LYS  68          2HZ       LYS  68   4.558 -12.272   3.475
  497   3HZ   LYS  68          3HZ       LYS  68   4.271 -11.872   5.043
  498    H    ALA  69           H        ALA  69   5.562  -8.374  -1.277
  499    HA   ALA  69           HA       ALA  69   7.656  -6.931  -0.100
  500   1HB   ALA  69          1HB       ALA  69   7.970  -8.425  -1.963
  501   2HB   ALA  69          2HB       ALA  69   6.965  -7.393  -2.998
  502   3HB   ALA  69          3HB       ALA  69   8.550  -6.808  -2.414
  503    H    ALA  70           H        ALA  70   4.963  -5.616  -2.094
  504    HA   ALA  70           HA       ALA  70   6.162  -2.993  -2.348
  505   1HB   ALA  70          1HB       ALA  70   4.486  -3.837  -3.918
  506   2HB   ALA  70          2HB       ALA  70   3.238  -3.742  -2.653
  507   3HB   ALA  70          3HB       ALA  70   4.041  -2.272  -3.225
  508    H    ILE  71           H        ILE  71   3.783  -4.315   0.072
  509    HA   ILE  71           HA       ILE  71   3.660  -1.770   1.472
  510    HB   ILE  71           HB       ILE  71   2.379  -3.081   3.048
  511   1HG1  ILE  71          1HG1      ILE  71   2.317  -5.370   1.161
  512   2HG1  ILE  71          2HG1      ILE  71   3.414  -5.364   2.567
  513   1HG2  ILE  71          1HG2      ILE  71   1.472  -1.922   0.977
  514   2HG2  ILE  71          2HG2      ILE  71   1.422  -3.488   0.169
  515   3HG2  ILE  71          3HG2      ILE  71   0.405  -3.183   1.595
  516   1HD1  ILE  71          1HD1      ILE  71   1.582  -5.287   4.092
  517   2HD1  ILE  71          2HD1      ILE  71   0.394  -5.080   2.780
  518   3HD1  ILE  71          3HD1      ILE  71   1.288  -6.599   2.943
  519    H    GLU  72           H        GLU  72   5.447  -4.747   1.817
  520    HA   GLU  72           HA       GLU  72   6.812  -4.061   4.263
  521   1HB   GLU  72          1HB       GLU  72   7.548  -6.109   2.141
  522   2HB   GLU  72          2HB       GLU  72   8.312  -5.908   3.724
  523   1HG   GLU  72          1HG       GLU  72   5.989  -6.272   4.764
  524   2HG   GLU  72          2HG       GLU  72   5.452  -6.823   3.189
  525    H    PHE  73           H        PHE  73   7.494  -3.340   0.799
  526    HA   PHE  73           HA       PHE  73  10.058  -2.235   1.141
  527   1HB   PHE  73          1HB       PHE  73   8.810  -2.389  -1.024
  528   2HB   PHE  73          2HB       PHE  73   7.816  -1.024  -0.531
  529    HD1  PHE  73           HD1      PHE  73   9.025   1.236   0.020
  530    HD2  PHE  73           HD2      PHE  73  10.862  -2.020  -2.140
  531    HE1  PHE  73           HE1      PHE  73  10.866   2.726  -0.664
  532    HE2  PHE  73           HE2      PHE  73  12.630  -0.469  -2.934
  533    HZ   PHE  73           HZ       PHE  73  12.631   1.893  -2.216
  534    H    MET  74           H        MET  74   6.887  -0.674   1.734
  535    HA   MET  74           HA       MET  74   8.032   1.801   2.699
  536   1HB   MET  74          1HB       MET  74   5.271   0.561   2.841
  537   2HB   MET  74          2HB       MET  74   5.628   2.158   3.555
  538   1HG   MET  74          1HG       MET  74   6.393   2.956   1.357
  539   2HG   MET  74          2HG       MET  74   6.117   1.386   0.611
  540   1HE   MET  74          1HE       MET  74   3.892   0.702  -0.533
  541   2HE   MET  74          2HE       MET  74   3.226   0.430   1.095
  542   3HE   MET  74          3HE       MET  74   2.316   1.396  -0.074
  543    H    SER  75           H        SER  75   6.257  -0.783   4.510
  544    HA   SER  75           HA       SER  75   8.311  -0.621   6.644
  545   1HB   SER  75          1HB       SER  75   5.431   0.179   6.950
  546   2HB   SER  75          2HB       SER  75   6.279  -0.595   8.293
  547    HG   SER  75           HG       SER  75   6.374   1.789   8.237
  548    H    LYS  76           H        LYS  76   5.082  -2.047   6.877
  549    HA   LYS  76           HA       LYS  76   5.431  -4.609   5.978
  550   1HB   LYS  76          1HB       LYS  76   5.867  -5.757   8.214
  551   2HB   LYS  76          2HB       LYS  76   7.253  -5.169   7.335
  552   1HG   LYS  76          1HG       LYS  76   7.355  -3.161   8.824
  553   2HG   LYS  76          2HG       LYS  76   5.943  -3.729   9.693
  554   1HD   LYS  76          1HD       LYS  76   8.599  -5.225   9.423
  555   2HD   LYS  76          2HD       LYS  76   8.215  -4.091  10.726
  556   1HE   LYS  76          1HE       LYS  76   6.104  -5.600  11.136
  557   2HE   LYS  76          2HE       LYS  76   6.962  -6.807  10.165
  558   1HZ   LYS  76          1HZ       LYS  76   8.801  -6.626  11.742
  559   2HZ   LYS  76          2HZ       LYS  76   7.974  -5.511  12.623
  560   3HZ   LYS  76          3HZ       LYS  76   7.416  -7.053  12.522
  561    H    ALA  77           H        ALA  77   3.323  -3.006   5.868
  562    HA   ALA  77           HA       ALA  77   1.254  -4.539   7.078
  563   1HB   ALA  77          1HB       ALA  77   1.707  -3.559   9.166
  564   2HB   ALA  77          2HB       ALA  77   1.856  -1.931   8.470
  565   3HB   ALA  77          3HB       ALA  77   0.276  -2.742   8.562
  566    H    LYS  78           H        LYS  78   1.094  -1.034   6.601
  567    HA   LYS  78           HA       LYS  78  -1.240  -1.519   4.891
  568   1HB   LYS  78          1HB       LYS  78  -2.023   0.542   5.501
  569   2HB   LYS  78          2HB       LYS  78  -1.254  -0.076   6.952
  570   1HG   LYS  78          1HG       LYS  78   0.113   1.771   7.047
  571   2HG   LYS  78          2HG       LYS  78   0.657   1.465   5.405
  572   1HD   LYS  78          1HD       LYS  78  -0.299   3.580   5.220
  573   2HD   LYS  78          2HD       LYS  78  -1.445   2.467   4.501
  574   1HE   LYS  78          1HE       LYS  78  -2.845   3.814   5.847
  575   2HE   LYS  78          2HE       LYS  78  -2.616   2.413   6.851
  576   1HZ   LYS  78          1HZ       LYS  78  -1.169   3.662   8.261
  577   2HZ   LYS  78          2HZ       LYS  78  -0.792   4.711   7.064
  578   3HZ   LYS  78          3HZ       LYS  78  -2.181   4.835   7.817
  579    HHA  HEC  90           HHA      HEC  90  -6.060   4.023   3.261
  580    HHB  HEC  90           HHB      HEC  90  -1.560  -0.048   1.080
  581    HHC  HEC  90           HHC      HEC  90  -1.669   3.004  -4.620
  582    HHD  HEC  90           HHD      HEC  90  -5.498   7.523  -2.068
  583   1HMA  HEC  90          1HMA      HEC  90  -4.152  -1.157   2.758
  584   2HMA  HEC  90          2HMA      HEC  90  -2.402  -0.902   2.896
  585   3HMA  HEC  90          3HMA      HEC  90  -3.468  -0.552   4.265
  586   1HAA  HEC  90          1HAA      HEC  90  -5.226   2.665   4.996
  587   2HAA  HEC  90          2HAA      HEC  90  -4.738   0.988   5.164
  588   1HBA  HEC  90          1HBA      HEC  90  -7.238   1.936   3.701
  589   2HBA  HEC  90          2HBA      HEC  90  -7.182   1.223   5.318
  590   1HMB  HEC  90          1HMB      HEC  90  -0.340  -1.498  -1.071
  591   2HMB  HEC  90          2HMB      HEC  90   1.040  -0.532  -1.634
  592   3HMB  HEC  90          3HMB      HEC  90   0.438  -0.299  -0.012
  593    HAB  HEC  90           HAB      HEC  90  -0.270   1.447  -4.771
  594   1HBB  HEC  90          1HBB      HEC  90  -0.607  -1.152  -3.954
  595   2HBB  HEC  90          2HBB      HEC  90   0.366  -0.633  -5.343
  596   3HBB  HEC  90          3HBB      HEC  90   1.143  -0.962  -3.801
  597   1HMC  HEC  90          1HMC      HEC  90  -3.538   5.257  -6.701
  598   2HMC  HEC  90          2HMC      HEC  90  -2.101   6.130  -6.136
  599   3HMC  HEC  90          3HMC      HEC  90  -2.140   4.360  -6.192
  600    HAC  HEC  90           HAC      HEC  90  -5.673   7.636  -4.195
  601   1HBC  HEC  90          1HBC      HEC  90  -5.584   6.344  -6.360
  602   2HBC  HEC  90          2HBC      HEC  90  -5.746   8.105  -6.451
  603   3HBC  HEC  90          3HBC      HEC  90  -4.177   7.369  -6.771
  604   1HMD  HEC  90          1HMD      HEC  90  -7.518   8.107  -0.720
  605   2HMD  HEC  90          2HMD      HEC  90  -7.468   8.603   0.974
  606   3HMD  HEC  90          3HMD      HEC  90  -6.138   9.010  -0.103
  607   1HAD  HEC  90          1HAD      HEC  90  -7.503   7.473   2.818
  608   2HAD  HEC  90          2HAD      HEC  90  -7.190   5.937   3.567
  609   1HBD  HEC  90          1HBD      HEC  90  -9.044   4.943   2.652
  610   2HBD  HEC  90          2HBD      HEC  90  -8.754   5.657   1.063
  Start of MODEL   24
    1   1H    ALA  -3          1H        ALA  -3   0.950  -3.146 -15.959
    2   2H    ALA  -3          2H        ALA  -3   0.793  -1.546 -16.363
    3   3H    ALA  -3          3H        ALA  -3   1.891  -2.523 -17.144
    4    HA   ALA  -3           HA       ALA  -3   2.964  -1.041 -15.588
    5   1HB   ALA  -3          1HB       ALA  -3   1.129  -1.096 -13.895
    6   2HB   ALA  -3          2HB       ALA  -3   1.559  -2.776 -13.509
    7   3HB   ALA  -3          3HB       ALA  -3   2.713  -1.453 -13.203
    8    H    ASP  -2           H        ASP  -2   4.057  -3.004 -13.439
    9    HA   ASP  -2           HA       ASP  -2   5.283  -5.099 -15.063
   10   1HB   ASP  -2          1HB       ASP  -2   7.580  -3.916 -14.711
   11   2HB   ASP  -2          2HB       ASP  -2   6.535  -3.495 -16.059
   12    H    LEU  -1           H        LEU  -1   4.481  -6.428 -13.479
   13    HA   LEU  -1           HA       LEU  -1   5.334  -6.355 -10.702
   14   1HB   LEU  -1          1HB       LEU  -1   3.255  -7.329 -11.322
   15   2HB   LEU  -1          2HB       LEU  -1   4.015  -8.404 -12.495
   16    HG   LEU  -1           HG       LEU  -1   5.237  -8.896  -9.907
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.200  -7.910  -8.963
   18   2HD1  LEU  -1          2HD1      LEU  -1   2.216  -9.073  -9.906
   19   3HD1  LEU  -1          3HD1      LEU  -1   3.314  -9.658  -8.638
   20   1HD2  LEU  -1          1HD2      LEU  -1   3.263 -10.582 -11.514
   21   2HD2  LEU  -1          2HD2      LEU  -1   5.003 -10.510 -11.836
   22   3HD2  LEU  -1          3HD2      LEU  -1   4.424 -11.160 -10.296
   23    H    GLN   1           H        GLN   1   7.526  -5.917 -11.402
   24    HA   GLN   1           HA       GLN   1   9.113  -8.443 -11.567
   25   1HB   GLN   1          1HB       GLN   1   9.262  -6.049 -13.165
   26   2HB   GLN   1          2HB       GLN   1  10.770  -6.171 -12.258
   27   1HG   GLN   1          1HG       GLN   1  11.354  -8.224 -13.270
   28   2HG   GLN   1          2HG       GLN   1   9.677  -8.636 -13.655
   29   1HE2  GLN   1          1HE2      GLN   1  12.279  -6.334 -14.634
   30   2HE2  GLN   1          2HE2      GLN   1  11.655  -6.225 -16.280
   31    H    ASP   2           H        ASP   2   8.353  -6.001  -9.346
   32    HA   ASP   2           HA       ASP   2  10.239  -6.893  -7.437
   33   1HB   ASP   2          1HB       ASP   2  11.654  -5.401  -9.003
   34   2HB   ASP   2          2HB       ASP   2  10.653  -4.043  -8.489
   35    H    ALA   3           H        ALA   3  10.010  -5.354  -5.587
   36    HA   ALA   3           HA       ALA   3   7.162  -4.746  -4.931
   37   1HB   ALA   3          1HB       ALA   3   8.510  -6.096  -3.434
   38   2HB   ALA   3          2HB       ALA   3   9.797  -4.880  -3.384
   39   3HB   ALA   3          3HB       ALA   3   8.229  -4.513  -2.652
   40    H    GLU   4           H        GLU   4  10.407  -3.145  -5.010
   41    HA   GLU   4           HA       GLU   4   9.380  -0.621  -4.127
   42   1HB   GLU   4          1HB       GLU   4  11.690  -0.926  -3.936
   43   2HB   GLU   4          2HB       GLU   4  11.904  -1.271  -5.657
   44   1HG   GLU   4          1HG       GLU   4  11.931   0.967  -6.205
   45   2HG   GLU   4          2HG       GLU   4  10.601   1.372  -5.118
   46    H    ALA   5           H        ALA   5   9.836  -1.980  -7.374
   47    HA   ALA   5           HA       ALA   5   9.097   0.424  -8.781
   48   1HB   ALA   5          1HB       ALA   5  10.390  -1.388  -9.821
   49   2HB   ALA   5          2HB       ALA   5   8.988  -2.481  -9.682
   50   3HB   ALA   5          3HB       ALA   5   8.902  -1.048 -10.733
   51    H    ILE   6           H        ILE   6   7.233  -2.352  -7.498
   52    HA   ILE   6           HA       ILE   6   4.763  -1.542  -8.750
   53    HB   ILE   6           HB       ILE   6   5.594  -3.399  -6.536
   54   1HG1  ILE   6          1HG1      ILE   6   5.803  -4.257  -8.778
   55   2HG1  ILE   6          2HG1      ILE   6   4.462  -5.076  -7.980
   56   1HG2  ILE   6          1HG2      ILE   6   3.587  -2.491  -5.558
   57   2HG2  ILE   6          2HG2      ILE   6   2.704  -2.631  -7.085
   58   3HG2  ILE   6          3HG2      ILE   6   3.227  -4.087  -6.195
   59   1HD1  ILE   6          1HD1      ILE   6   3.064  -3.178  -9.299
   60   2HD1  ILE   6          2HD1      ILE   6   4.521  -3.164 -10.304
   61   3HD1  ILE   6          3HD1      ILE   6   3.612  -4.666 -10.103
   62    H    TYR   7           H        TYR   7   6.012  -0.879  -5.355
   63    HA   TYR   7           HA       TYR   7   3.650   0.744  -4.975
   64   1HB   TYR   7          1HB       TYR   7   4.301   1.290  -2.905
   65   2HB   TYR   7          2HB       TYR   7   5.230  -0.177  -3.124
   66    HD1  TYR   7           HD1      TYR   7   5.349   3.565  -3.104
   67    HD2  TYR   7           HD2      TYR   7   7.615  -0.085  -2.916
   68    HE1  TYR   7           HE1      TYR   7   7.457   4.878  -2.957
   69    HE2  TYR   7           HE2      TYR   7   9.727   1.243  -2.830
   70    HH   TYR   7           HH       TYR   7  10.658   3.311  -3.111
   71    H    ASN   8           H        ASN   8   6.888   1.536  -6.151
   72    HA   ASN   8           HA       ASN   8   6.550   4.351  -6.263
   73   1HB   ASN   8          1HB       ASN   8   8.680   3.050  -6.127
   74   2HB   ASN   8          2HB       ASN   8   8.428   2.527  -7.805
   75   1HD2  ASN   8          1HD2      ASN   8  10.368   3.481  -8.525
   76   2HD2  ASN   8          2HD2      ASN   8  10.555   5.230  -8.562
   77    H    LYS   9           H        LYS   9   5.587   1.827  -8.542
   78    HA   LYS   9           HA       LYS   9   4.791   3.837 -10.559
   79   1HB   LYS   9          1HB       LYS   9   5.742   1.449 -10.907
   80   2HB   LYS   9          2HB       LYS   9   4.084   0.912 -10.644
   81   1HG   LYS   9          1HG       LYS   9   4.101   1.162 -12.965
   82   2HG   LYS   9          2HG       LYS   9   3.583   2.790 -12.505
   83   1HD   LYS   9          1HD       LYS   9   5.380   3.089 -14.102
   84   2HD   LYS   9          2HD       LYS   9   6.054   3.455 -12.518
   85   1HE   LYS   9          1HE       LYS   9   7.724   1.976 -13.014
   86   2HE   LYS   9          2HE       LYS   9   6.544   0.706 -12.695
   87   1HZ   LYS   9          1HZ       LYS   9   5.942   0.887 -15.100
   88   2HZ   LYS   9          2HZ       LYS   9   7.439   1.614 -15.297
   89   3HZ   LYS   9          3HZ       LYS   9   7.237   0.112 -14.626
   90    H    ALA  10           H        ALA  10   3.283   2.049  -7.916
   91    HA   ALA  10           HA       ALA  10   0.540   2.710  -8.956
   92   1HB   ALA  10          1HB       ALA  10   1.131   0.317  -8.791
   93   2HB   ALA  10          2HB       ALA  10   1.345   0.501  -7.037
   94   3HB   ALA  10          3HB       ALA  10  -0.243   0.783  -7.766
   95    H    CYS  11           H        CYS  11   2.059   2.180  -5.716
   96    HA   CYS  11           HA       CYS  11   0.102   3.921  -4.423
   97   1HB   CYS  11          1HB       CYS  11   2.526   2.981  -2.998
   98   2HB   CYS  11          2HB       CYS  11   0.857   3.076  -2.446
   99    H    THR  12           H        THR  12   1.355   5.327  -6.381
  100    HA   THR  12           HA       THR  12   3.433   7.040  -5.092
  101    HB   THR  12           HB       THR  12   4.207   5.327  -6.796
  102    HG1  THR  12           HG1      THR  12   4.510   8.061  -7.393
  103   1HG2  THR  12          1HG2      THR  12   2.258   5.560  -8.383
  104   2HG2  THR  12          2HG2      THR  12   2.787   7.209  -8.769
  105   3HG2  THR  12          3HG2      THR  12   3.811   5.848  -9.180
  106    H    VAL  13           H        VAL  13   0.378   7.193  -6.175
  107    HA   VAL  13           HA       VAL  13   0.651   9.856  -7.490
  108    HB   VAL  13           HB       VAL  13  -1.747   7.978  -7.314
  109   1HG1  VAL  13          1HG1      VAL  13  -2.240  10.346  -7.784
  110   2HG1  VAL  13          2HG1      VAL  13  -1.024  10.335  -9.083
  111   3HG1  VAL  13          3HG1      VAL  13  -2.504   9.351  -9.233
  112   1HG2  VAL  13          1HG2      VAL  13   0.365   8.217  -9.498
  113   2HG2  VAL  13          2HG2      VAL  13   0.003   6.772  -8.527
  114   3HG2  VAL  13          3HG2      VAL  13  -1.190   7.379  -9.673
  115    H    CYS  14           H        CYS  14  -1.313   8.130  -5.094
  116    HA   CYS  14           HA       CYS  14  -2.281  10.526  -3.730
  117   1HB   CYS  14          1HB       CYS  14  -2.478   7.538  -3.522
  118   2HB   CYS  14          2HB       CYS  14  -3.100   8.550  -2.226
  119    H    HIS  15           H        HIS  15  -0.437   7.652  -2.668
  120    HA   HIS  15           HA       HIS  15   0.061   8.712  -0.075
  121   1HB   HIS  15          1HB       HIS  15   1.085   6.325  -1.682
  122   2HB   HIS  15          2HB       HIS  15   1.580   6.615  -0.028
  123    HD1  HIS  15           HD1      HIS  15   0.058   5.888   1.820
  124    HD2  HIS  15           HD2      HIS  15  -1.617   5.714  -1.988
  125    HE1  HIS  15           HE1      HIS  15  -1.753   4.058   1.939
  126    H    SER  16           H        SER  16   1.838   9.283  -2.917
  127    HA   SER  16           HA       SER  16   4.504   9.388  -1.744
  128   1HB   SER  16          1HB       SER  16   3.788   9.012  -4.201
  129   2HB   SER  16          2HB       SER  16   3.710  10.777  -4.325
  130    HG   SER  16           HG       SER  16   5.801   9.600  -4.782
  131    H    MET  17           H        MET  17   1.917  11.676  -2.459
  132    HA   MET  17           HA       MET  17   3.385  13.876  -1.066
  133   1HB   MET  17          1HB       MET  17   2.683  13.850  -3.688
  134   2HB   MET  17          2HB       MET  17   1.170  14.459  -3.002
  135   1HG   MET  17          1HG       MET  17   2.532  16.360  -3.510
  136   2HG   MET  17          2HG       MET  17   2.616  16.180  -1.751
  137   1HE   MET  17          1HE       MET  17   4.551  18.054  -3.264
  138   2HE   MET  17          2HE       MET  17   4.724  17.713  -1.520
  139   3HE   MET  17          3HE       MET  17   6.138  17.599  -2.596
  140    H    GLY  18           H        GLY  18   0.302  12.185  -1.354
  141   1HA   GLY  18          1HA       GLY  18  -1.284  11.901   0.291
  142   2HA   GLY  18          2HA       GLY  18  -0.619  13.214   1.236
  143    H    VAL  19           H        VAL  19  -2.018  12.883  -2.073
  144    HA   VAL  19           HA       VAL  19  -3.284  15.503  -1.899
  145    HB   VAL  19           HB       VAL  19  -3.561  13.331  -4.024
  146   1HG1  VAL  19          1HG1      VAL  19  -5.455  14.901  -4.166
  147   2HG1  VAL  19          2HG1      VAL  19  -4.343  16.283  -4.071
  148   3HG1  VAL  19          3HG1      VAL  19  -4.328  15.211  -5.485
  149   1HG2  VAL  19          1HG2      VAL  19  -1.794  15.817  -3.925
  150   2HG2  VAL  19          2HG2      VAL  19  -1.235  14.131  -3.841
  151   3HG2  VAL  19          3HG2      VAL  19  -1.982  14.738  -5.323
  152    H    ALA  20           H        ALA  20  -4.676  12.278  -2.110
  153    HA   ALA  20           HA       ALA  20  -7.381  13.335  -1.592
  154   1HB   ALA  20          1HB       ALA  20  -7.024  11.631  -3.261
  155   2HB   ALA  20          2HB       ALA  20  -6.284  10.559  -2.054
  156   3HB   ALA  20          3HB       ALA  20  -8.019  10.974  -1.937
  157    H    GLY  21           H        GLY  21  -5.403  13.764   0.395
  158   1HA   GLY  21          1HA       GLY  21  -5.055  13.640   2.697
  159   2HA   GLY  21          2HA       GLY  21  -6.606  12.798   2.859
  160    H    ALA  22           H        ALA  22  -4.247  11.462   0.678
  161    HA   ALA  22           HA       ALA  22  -4.387   8.999   1.887
  162   1HB   ALA  22          1HB       ALA  22  -3.981   9.373  -0.459
  163   2HB   ALA  22          2HB       ALA  22  -2.335   9.939  -0.127
  164   3HB   ALA  22          3HB       ALA  22  -2.774   8.252   0.201
  165    HA   PRO  23           HA       PRO  23  -1.305   8.993   5.211
  166   1HB   PRO  23          1HB       PRO  23  -1.030   6.402   5.519
  167   2HB   PRO  23          2HB       PRO  23  -2.593   7.223   5.861
  168   1HG   PRO  23          1HG       PRO  23  -1.795   5.679   3.422
  169   2HG   PRO  23          2HG       PRO  23  -3.281   5.468   4.382
  170   1HD   PRO  23          1HD       PRO  23  -3.242   6.984   2.137
  171   2HD   PRO  23          2HD       PRO  23  -4.163   7.507   3.581
  172    H    LYS  24           H        LYS  24   0.948   8.787   5.503
  173    HA   LYS  24           HA       LYS  24   2.272   9.203   2.950
  174   1HB   LYS  24          1HB       LYS  24   3.449   9.048   5.740
  175   2HB   LYS  24          2HB       LYS  24   4.387   9.314   4.279
  176   1HG   LYS  24          1HG       LYS  24   2.882  11.362   3.823
  177   2HG   LYS  24          2HG       LYS  24   2.422  11.210   5.537
  178   1HD   LYS  24          1HD       LYS  24   4.934  11.059   6.061
  179   2HD   LYS  24          2HD       LYS  24   5.247  11.436   4.359
  180   1HE   LYS  24          1HE       LYS  24   4.074  13.626   4.638
  181   2HE   LYS  24          2HE       LYS  24   3.793  13.239   6.347
  182   1HZ   LYS  24          1HZ       LYS  24   6.193  13.095   6.631
  183   2HZ   LYS  24          2HZ       LYS  24   6.443  13.498   5.062
  184   3HZ   LYS  24          3HZ       LYS  24   5.765  14.592   6.089
  185    H    SER  25           H        SER  25   3.741   8.090   1.814
  186    HA   SER  25           HA       SER  25   4.278   5.376   1.767
  187   1HB   SER  25          1HB       SER  25   6.420   6.039   0.708
  188   2HB   SER  25          2HB       SER  25   5.040   6.969   0.088
  189    HG   SER  25           HG       SER  25   6.800   8.355   0.625
  190    H    HIS  26           H        HIS  26   5.796   7.784   3.952
  191    HA   HIS  26           HA       HIS  26   6.628   5.568   5.694
  192   1HB   HIS  26          1HB       HIS  26   8.763   6.260   6.051
  193   2HB   HIS  26          2HB       HIS  26   8.605   6.464   4.310
  194    HD1  HIS  26           HD1      HIS  26  10.018   8.170   7.136
  195    HD2  HIS  26           HD2      HIS  26   7.632   9.354   3.879
  196    HE1  HIS  26           HE1      HIS  26  10.243  10.705   6.952
  197    H    ASN  27           H        ASN  27   5.688   5.798   7.542
  198    HA   ASN  27           HA       ASN  27   5.739   8.250   9.102
  199   1HB   ASN  27          1HB       ASN  27   3.286   7.191   7.744
  200   2HB   ASN  27          2HB       ASN  27   3.129   7.293   9.498
  201   1HD2  ASN  27          1HD2      ASN  27   1.456   8.799   7.685
  202   2HD2  ASN  27          2HD2      ASN  27   1.908  10.468   7.996
  203    H    THR  28           H        THR  28   5.007   7.657  11.420
  204    HA   THR  28           HA       THR  28   5.407   4.695  11.956
  205    HB   THR  28           HB       THR  28   5.721   7.078  13.819
  206    HG1  THR  28           HG1      THR  28   7.670   5.446  12.569
  207   1HG2  THR  28          1HG2      THR  28   5.183   5.016  15.049
  208   2HG2  THR  28          2HG2      THR  28   6.446   4.130  14.170
  209   3HG2  THR  28          3HG2      THR  28   6.879   5.451  15.275
  210    H    ALA  29           H        ALA  29   3.353   7.534  12.799
  211    HA   ALA  29           HA       ALA  29   1.584   5.942  14.445
  212   1HB   ALA  29          1HB       ALA  29   2.069   8.289  14.870
  213   2HB   ALA  29          2HB       ALA  29   1.288   8.740  13.327
  214   3HB   ALA  29          3HB       ALA  29   0.328   8.004  14.636
  215    H    ASP  30           H        ASP  30   1.698   6.684  11.094
  216    HA   ASP  30           HA       ASP  30  -1.079   6.272  10.417
  217   1HB   ASP  30          1HB       ASP  30   0.853   7.722   9.391
  218   2HB   ASP  30          2HB       ASP  30   1.348   6.210   8.565
  219    H    TRP  31           H        TRP  31   1.895   4.443  10.533
  220    HA   TRP  31           HA       TRP  31   0.871   1.960   9.346
  221   1HB   TRP  31          1HB       TRP  31   3.580   2.855  10.379
  222   2HB   TRP  31          2HB       TRP  31   3.255   1.264   9.681
  223    HD1  TRP  31           HD1      TRP  31   3.331   4.965   8.638
  224    HE1  TRP  31           HE1      TRP  31   3.564   5.201   6.106
  225    HE3  TRP  31           HE3      TRP  31   3.291   0.012   7.408
  226    HZ2  TRP  31           HZ2      TRP  31   3.571   3.482   3.846
  227    HZ3  TRP  31           HZ3      TRP  31   3.124  -0.609   4.969
  228    HH2  TRP  31           HH2      TRP  31   3.318   1.072   3.268
  229    H    GLU  32           H        GLU  32   1.892   3.137  12.628
  230    HA   GLU  32           HA       GLU  32   1.872   0.852  14.129
  231   1HB   GLU  32          1HB       GLU  32   1.040   3.677  14.581
  232   2HB   GLU  32          2HB       GLU  32   0.489   2.513  15.788
  233   1HG   GLU  32          1HG       GLU  32   2.724   1.796  16.286
  234   2HG   GLU  32          2HG       GLU  32   3.399   2.730  14.943
  235    HA   PRO  33           HA       PRO  33  -2.879   0.463  14.565
  236   1HB   PRO  33          1HB       PRO  33  -4.605   2.055  13.130
  237   2HB   PRO  33          2HB       PRO  33  -3.838   2.552  14.658
  238   1HG   PRO  33          1HG       PRO  33  -2.816   3.160  11.862
  239   2HG   PRO  33          2HG       PRO  33  -3.166   4.327  13.164
  240   1HD   PRO  33          1HD       PRO  33  -0.713   3.383  12.709
  241   2HD   PRO  33          2HD       PRO  33  -1.290   3.568  14.394
  242    H    ARG  34           H        ARG  34  -1.006  -0.212  12.142
  243    HA   ARG  34           HA       ARG  34  -2.987  -2.066  10.896
  244   1HB   ARG  34          1HB       ARG  34  -0.708  -0.563   9.548
  245   2HB   ARG  34          2HB       ARG  34  -1.457  -2.002   8.876
  246   1HG   ARG  34          1HG       ARG  34  -2.652  -0.326   7.829
  247   2HG   ARG  34          2HG       ARG  34  -3.717  -0.709   9.168
  248   1HD   ARG  34          1HD       ARG  34  -1.780   1.355   9.992
  249   2HD   ARG  34          2HD       ARG  34  -2.518   1.781   8.447
  250    HE   ARG  34           HE       ARG  34  -4.350   0.924  10.609
  251   1HH1  ARG  34          2HH1      ARG  34  -2.736   3.810   9.335
  252   2HH1  ARG  34          1HH1      ARG  34  -4.280   4.488   8.791
  253   1HH2  ARG  34          1HH2      ARG  34  -6.314   2.159  10.224
  254   2HH2  ARG  34          2HH2      ARG  34  -6.127   3.663   9.390
  255    H    LEU  35           H        LEU  35   0.445  -1.455  11.669
  256    HA   LEU  35           HA       LEU  35   1.413  -4.113  11.867
  257   1HB   LEU  35          1HB       LEU  35   2.132  -1.370  12.805
  258   2HB   LEU  35          2HB       LEU  35   2.795  -2.652  13.786
  259    HG   LEU  35           HG       LEU  35   3.141  -2.850  10.785
  260   1HD1  LEU  35          1HD1      LEU  35   3.832  -0.570  11.287
  261   2HD1  LEU  35          2HD1      LEU  35   4.764  -1.116  12.697
  262   3HD1  LEU  35          3HD1      LEU  35   5.273  -1.576  11.060
  263   1HD2  LEU  35          1HD2      LEU  35   4.870  -3.638  13.174
  264   2HD2  LEU  35          2HD2      LEU  35   3.779  -4.737  12.302
  265   3HD2  LEU  35          3HD2      LEU  35   5.175  -4.026  11.471
  266    H    ALA  36           H        ALA  36  -1.188  -2.985  13.609
  267    HA   ALA  36           HA       ALA  36  -0.534  -4.054  16.240
  268   1HB   ALA  36          1HB       ALA  36  -1.918  -2.018  16.024
  269   2HB   ALA  36          2HB       ALA  36  -3.102  -2.911  15.045
  270   3HB   ALA  36          3HB       ALA  36  -2.852  -3.344  16.750
  271    H    LYS  37           H        LYS  37  -2.142  -4.882  13.212
  272    HA   LYS  37           HA       LYS  37  -2.977  -7.512  14.291
  273   1HB   LYS  37          1HB       LYS  37  -3.651  -5.969  11.779
  274   2HB   LYS  37          2HB       LYS  37  -3.824  -7.737  11.841
  275   1HG   LYS  37          1HG       LYS  37  -5.282  -7.658  13.714
  276   2HG   LYS  37          2HG       LYS  37  -5.117  -5.904  13.887
  277   1HD   LYS  37          1HD       LYS  37  -6.532  -5.432  12.147
  278   2HD   LYS  37          2HD       LYS  37  -5.894  -6.725  11.146
  279   1HE   LYS  37          1HE       LYS  37  -7.660  -8.009  11.497
  280   2HE   LYS  37          2HE       LYS  37  -7.351  -8.064  13.226
  281   1HZ   LYS  37          1HZ       LYS  37  -8.628  -6.055  13.482
  282   2HZ   LYS  37          2HZ       LYS  37  -8.906  -5.965  11.862
  283   3HZ   LYS  37          3HZ       LYS  37  -9.528  -7.210  12.737
  284    H    GLY  38           H        GLY  38  -1.189  -6.149  11.498
  285   1HA   GLY  38          1HA       GLY  38   1.272  -7.053  11.786
  286   2HA   GLY  38          2HA       GLY  38   0.526  -8.600  11.368
  287    H    VAL  39           H        VAL  39   0.411  -9.116   9.267
  288    HA   VAL  39           HA       VAL  39   0.378  -7.032   7.171
  289    HB   VAL  39           HB       VAL  39   1.856  -8.785   5.859
  290   1HG1  VAL  39          1HG1      VAL  39   2.364  -6.484   6.330
  291   2HG1  VAL  39          2HG1      VAL  39   2.941  -6.907   7.958
  292   3HG1  VAL  39          3HG1      VAL  39   3.817  -7.500   6.517
  293   1HG2  VAL  39          1HG2      VAL  39   2.853  -9.382   8.674
  294   2HG2  VAL  39          2HG2      VAL  39   1.904 -10.511   7.676
  295   3HG2  VAL  39          3HG2      VAL  39   3.504  -9.967   7.137
  296    H    ASP  40           H        ASP  40   0.007  -8.254   4.998
  297    HA   ASP  40           HA       ASP  40  -1.488  -9.253   3.680
  298   1HB   ASP  40          1HB       ASP  40  -0.886 -11.294   5.108
  299   2HB   ASP  40          2HB       ASP  40  -2.432 -11.041   5.941
  300    H    ASN  41           H        ASN  41  -2.757  -8.477   6.880
  301    HA   ASN  41           HA       ASN  41  -5.482  -8.251   6.264
  302   1HB   ASN  41          1HB       ASN  41  -4.620  -6.069   8.093
  303   2HB   ASN  41          2HB       ASN  41  -5.761  -7.349   8.379
  304   1HD2  ASN  41          1HD2      ASN  41  -2.401  -6.354   8.791
  305   2HD2  ASN  41          2HD2      ASN  41  -2.045  -7.678   9.884
  306    H    LEU  42           H        LEU  42  -3.008  -6.150   5.270
  307    HA   LEU  42           HA       LEU  42  -4.906  -4.045   4.346
  308   1HB   LEU  42          1HB       LEU  42  -1.905  -4.101   4.725
  309   2HB   LEU  42          2HB       LEU  42  -2.799  -2.757   4.030
  310    HG   LEU  42           HG       LEU  42  -2.533  -2.071   6.222
  311   1HD1  LEU  42          1HD1      LEU  42  -4.932  -1.972   5.541
  312   2HD1  LEU  42          2HD1      LEU  42  -5.211  -3.435   6.517
  313   3HD1  LEU  42          3HD1      LEU  42  -4.638  -1.954   7.283
  314   1HD2  LEU  42          1HD2      LEU  42  -3.009  -4.890   7.213
  315   2HD2  LEU  42          2HD2      LEU  42  -1.540  -3.937   7.293
  316   3HD2  LEU  42          3HD2      LEU  42  -2.964  -3.479   8.250
  317    H    VAL  43           H        VAL  43  -2.335  -6.219   3.066
  318    HA   VAL  43           HA       VAL  43  -2.589  -5.682   0.414
  319    HB   VAL  43           HB       VAL  43  -1.146  -7.491   1.714
  320   1HG1  VAL  43          1HG1      VAL  43  -3.068  -9.168   1.810
  321   2HG1  VAL  43          2HG1      VAL  43  -3.067  -9.177   0.040
  322   3HG1  VAL  43          3HG1      VAL  43  -1.645  -9.736   0.930
  323   1HG2  VAL  43          1HG2      VAL  43  -1.806  -7.533  -1.267
  324   2HG2  VAL  43          2HG2      VAL  43  -0.622  -6.477  -0.484
  325   3HG2  VAL  43          3HG2      VAL  43  -0.353  -8.219  -0.523
  326    H    LYS  44           H        LYS  44  -4.833  -7.593   2.452
  327    HA   LYS  44           HA       LYS  44  -6.661  -8.182   0.304
  328   1HB   LYS  44          1HB       LYS  44  -8.389  -8.435   2.086
  329   2HB   LYS  44          2HB       LYS  44  -6.994  -9.513   2.110
  330   1HG   LYS  44          1HG       LYS  44  -6.178  -8.747   4.032
  331   2HG   LYS  44          2HG       LYS  44  -6.595  -7.055   3.691
  332   1HD   LYS  44          1HD       LYS  44  -8.698  -9.106   4.411
  333   2HD   LYS  44          2HD       LYS  44  -7.772  -8.228   5.650
  334   1HE   LYS  44          1HE       LYS  44  -8.522  -6.096   4.951
  335   2HE   LYS  44          2HE       LYS  44  -9.198  -6.696   3.435
  336   1HZ   LYS  44          1HZ       LYS  44 -10.872  -7.859   4.690
  337   2HZ   LYS  44          2HZ       LYS  44 -10.232  -7.347   6.117
  338   3HZ   LYS  44          3HZ       LYS  44 -10.894  -6.259   5.074
  339    H    SER  45           H        SER  45  -6.434  -5.213   2.374
  340    HA   SER  45           HA       SER  45  -9.028  -4.206   1.455
  341   1HB   SER  45          1HB       SER  45  -6.768  -2.874   2.989
  342   2HB   SER  45          2HB       SER  45  -8.366  -2.167   2.668
  343    HG   SER  45           HG       SER  45  -8.230  -3.245   4.729
  344    H    VAL  46           H        VAL  46  -5.603  -3.818   0.588
  345    HA   VAL  46           HA       VAL  46  -6.067  -1.714  -1.291
  346    HB   VAL  46           HB       VAL  46  -3.876  -2.235  -0.140
  347   1HG1  VAL  46          1HG1      VAL  46  -4.069  -4.586  -0.458
  348   2HG1  VAL  46          2HG1      VAL  46  -3.686  -4.499  -2.180
  349   3HG1  VAL  46          3HG1      VAL  46  -2.478  -3.995  -0.979
  350   1HG2  VAL  46          1HG2      VAL  46  -3.855  -2.254  -3.171
  351   2HG2  VAL  46          2HG2      VAL  46  -3.742  -0.812  -2.117
  352   3HG2  VAL  46          3HG2      VAL  46  -2.430  -2.003  -2.112
  353    H    LYS  47           H        LYS  47  -5.747  -5.300  -1.651
  354    HA   LYS  47           HA       LYS  47  -6.010  -5.315  -4.417
  355   1HB   LYS  47          1HB       LYS  47  -5.999  -7.479  -4.387
  356   2HB   LYS  47          2HB       LYS  47  -5.428  -7.153  -2.776
  357   1HG   LYS  47          1HG       LYS  47  -6.917  -8.954  -2.616
  358   2HG   LYS  47          2HG       LYS  47  -7.761  -7.589  -1.909
  359   1HD   LYS  47          1HD       LYS  47  -9.350  -7.539  -3.517
  360   2HD   LYS  47          2HD       LYS  47  -8.192  -7.735  -4.824
  361   1HE   LYS  47          1HE       LYS  47  -9.179 -10.019  -3.026
  362   2HE   LYS  47          2HE       LYS  47  -9.926  -9.603  -4.574
  363   1HZ   LYS  47          1HZ       LYS  47  -7.841 -10.043  -5.668
  364   2HZ   LYS  47          2HZ       LYS  47  -7.098 -10.399  -4.250
  365   3HZ   LYS  47          3HZ       LYS  47  -8.296 -11.373  -4.813
  366    H    THR  48           H        THR  48  -8.579  -5.235  -1.965
  367    HA   THR  48           HA       THR  48 -10.755  -5.295  -3.896
  368    HB   THR  48           HB       THR  48 -12.149  -4.538  -1.945
  369    HG1  THR  48           HG1      THR  48 -10.955  -4.679   0.087
  370   1HG2  THR  48          1HG2      THR  48 -11.772  -6.952  -2.394
  371   2HG2  THR  48          2HG2      THR  48 -10.317  -6.908  -1.368
  372   3HG2  THR  48          3HG2      THR  48 -11.914  -6.607  -0.660
  373    H    GLY  49           H        GLY  49  -8.917  -2.610  -2.416
  374   1HA   GLY  49          1HA       GLY  49  -8.846  -0.401  -3.226
  375   2HA   GLY  49          2HA       GLY  49 -10.243  -0.686  -4.255
  376    H    LEU  50           H        LEU  50  -9.172   0.624  -1.327
  377    HA   LEU  50           HA       LEU  50 -11.643   0.818   0.129
  378   1HB   LEU  50          1HB       LEU  50  -9.213   1.143   0.852
  379   2HB   LEU  50          2HB       LEU  50  -9.306   2.769   0.207
  380    HG   LEU  50           HG       LEU  50 -11.555   2.173   2.032
  381   1HD1  LEU  50          1HD1      LEU  50  -9.958   0.613   3.046
  382   2HD1  LEU  50          2HD1      LEU  50  -8.735   1.899   3.139
  383   3HD1  LEU  50          3HD1      LEU  50 -10.228   2.015   4.095
  384   1HD2  LEU  50          1HD2      LEU  50  -9.242   4.165   2.168
  385   2HD2  LEU  50          2HD2      LEU  50 -10.794   4.482   1.374
  386   3HD2  LEU  50          3HD2      LEU  50 -10.728   4.239   3.133
  387    H    ASN  51           H        ASN  51 -12.597   3.066   0.540
  388    HA   ASN  51           HA       ASN  51 -14.139   3.691  -1.599
  389   1HB   ASN  51          1HB       ASN  51 -13.564   5.830   0.512
  390   2HB   ASN  51          2HB       ASN  51 -15.054   5.543  -0.370
  391   1HD2  ASN  51          1HD2      ASN  51 -12.904   4.567   2.214
  392   2HD2  ASN  51          2HD2      ASN  51 -13.742   3.100   2.658
  393    H    ALA  52           H        ALA  52 -11.705   5.945  -0.405
  394    HA   ALA  52           HA       ALA  52 -11.533   7.464  -2.913
  395   1HB   ALA  52          1HB       ALA  52 -11.388   8.580  -0.737
  396   2HB   ALA  52          2HB       ALA  52  -9.968   7.610  -0.304
  397   3HB   ALA  52          3HB       ALA  52  -9.873   8.793  -1.629
  398    H    MET  53           H        MET  53 -10.562   4.416  -2.521
  399    HA   MET  53           HA       MET  53  -7.876   4.878  -3.755
  400   1HB   MET  53          1HB       MET  53  -8.129   4.010  -1.400
  401   2HB   MET  53          2HB       MET  53  -8.733   2.502  -2.106
  402   1HG   MET  53          1HG       MET  53  -6.601   2.067  -3.140
  403   2HG   MET  53          2HG       MET  53  -6.132   3.746  -2.921
  404   1HE   MET  53          1HE       MET  53  -6.839   0.386  -0.789
  405   2HE   MET  53          2HE       MET  53  -5.467   0.473  -1.916
  406   3HE   MET  53          3HE       MET  53  -5.176   0.389  -0.158
  407    HA   PRO  54           HA       PRO  54  -9.576   2.669  -7.253
  408   1HB   PRO  54          1HB       PRO  54  -7.218   2.111  -8.646
  409   2HB   PRO  54          2HB       PRO  54  -8.091   3.667  -8.673
  410   1HG   PRO  54          1HG       PRO  54  -5.705   2.896  -7.001
  411   2HG   PRO  54          2HG       PRO  54  -5.987   4.411  -7.896
  412   1HD   PRO  54          1HD       PRO  54  -6.375   4.128  -5.212
  413   2HD   PRO  54          2HD       PRO  54  -7.431   5.203  -6.179
  414    HA   PRO  55           HA       PRO  55  -9.317  -1.604  -6.149
  415   1HB   PRO  55          1HB       PRO  55  -9.465  -2.963  -8.520
  416   2HB   PRO  55          2HB       PRO  55 -10.847  -2.080  -7.812
  417   1HG   PRO  55          1HG       PRO  55  -8.898  -1.062  -9.901
  418   2HG   PRO  55          2HG       PRO  55 -10.686  -1.050  -9.986
  419   1HD   PRO  55          1HD       PRO  55  -9.344   1.139  -9.188
  420   2HD   PRO  55          2HD       PRO  55 -10.824   0.660  -8.307
  421    H    GLY  56           H        GLY  56  -7.657  -3.035  -5.671
  422   1HA   GLY  56          1HA       GLY  56  -5.524  -3.722  -5.519
  423   2HA   GLY  56          2HA       GLY  56  -5.351  -3.497  -7.242
  424    H    GLY  57           H        GLY  57  -6.196  -0.758  -5.158
  425   1HA   GLY  57          1HA       GLY  57  -5.077   1.204  -4.760
  426   2HA   GLY  57          2HA       GLY  57  -3.677   0.202  -4.362
  427    H    MET  58           H        MET  58  -5.347   0.318  -7.487
  428    HA   MET  58           HA       MET  58  -4.906   1.308  -9.470
  429   1HB   MET  58          1HB       MET  58  -3.417   3.048  -8.205
  430   2HB   MET  58          2HB       MET  58  -2.071   2.044  -8.778
  431   1HG   MET  58          1HG       MET  58  -3.256   2.291 -11.107
  432   2HG   MET  58          2HG       MET  58  -4.089   3.646 -10.356
  433   1HE   MET  58          1HE       MET  58  -1.110   2.414 -12.239
  434   2HE   MET  58          2HE       MET  58  -2.203   3.599 -13.005
  435   3HE   MET  58          3HE       MET  58  -0.494   4.014 -12.713
  436    H    CYS  59           H        CYS  59  -2.838  -1.044  -7.884
  437    HA   CYS  59           HA       CYS  59  -1.758  -2.001 -10.489
  438   1HB   CYS  59          1HB       CYS  59  -0.232  -1.657  -8.517
  439   2HB   CYS  59          2HB       CYS  59  -1.092  -2.977  -7.717
  440    H    THR  60           H        THR  60  -4.222  -2.593 -10.907
  441    HA   THR  60           HA       THR  60  -5.328  -4.951  -9.919
  442    HB   THR  60           HB       THR  60  -5.274  -4.138 -12.851
  443    HG1  THR  60           HG1      THR  60  -7.146  -2.883 -12.130
  444   1HG2  THR  60          1HG2      THR  60  -6.482  -6.260 -12.411
  445   2HG2  THR  60          2HG2      THR  60  -7.400  -5.474 -11.107
  446   3HG2  THR  60          3HG2      THR  60  -7.629  -4.970 -12.793
  447    H    ASP  61           H        ASP  61  -2.418  -4.613 -11.758
  448    HA   ASP  61           HA       ASP  61  -2.202  -7.265 -12.839
  449   1HB   ASP  61          1HB       ASP  61  -1.302  -4.938 -13.609
  450   2HB   ASP  61          2HB       ASP  61  -0.010  -5.190 -12.422
  451    H    CYS  62           H        CYS  62  -1.422  -5.861  -9.698
  452    HA   CYS  62           HA       CYS  62   0.881  -7.498  -9.084
  453   1HB   CYS  62          1HB       CYS  62  -0.946  -5.788  -7.382
  454   2HB   CYS  62          2HB       CYS  62   0.449  -6.683  -6.757
  455    H    THR  63           H        THR  63   1.109  -9.366  -7.698
  456    HA   THR  63           HA       THR  63  -1.425 -10.954  -7.592
  457    HB   THR  63           HB       THR  63   1.468 -11.875  -7.558
  458    HG1  THR  63           HG1      THR  63   0.868 -12.559  -9.656
  459   1HG2  THR  63          1HG2      THR  63  -0.079 -13.501  -6.414
  460   2HG2  THR  63          2HG2      THR  63  -1.183 -13.392  -7.797
  461   3HG2  THR  63          3HG2      THR  63   0.431 -14.103  -7.996
  462    H    ASP  64           H        ASP  64   1.344 -11.747  -5.559
  463    HA   ASP  64           HA       ASP  64   0.194 -10.559  -3.145
  464   1HB   ASP  64          1HB       ASP  64   0.072 -13.435  -3.999
  465   2HB   ASP  64          2HB       ASP  64   0.663 -13.125  -2.379
  466    H    GLU  65           H        GLU  65   2.757 -12.800  -4.436
  467    HA   GLU  65           HA       GLU  65   4.684 -12.234  -2.531
  468   1HB   GLU  65          1HB       GLU  65   5.074 -12.867  -5.487
  469   2HB   GLU  65          2HB       GLU  65   6.349 -12.842  -4.262
  470   1HG   GLU  65          1HG       GLU  65   4.844 -14.490  -2.905
  471   2HG   GLU  65          2HG       GLU  65   3.987 -14.752  -4.433
  472    H    ASP  66           H        ASP  66   4.394 -10.308  -5.696
  473    HA   ASP  66           HA       ASP  66   6.435  -8.496  -4.659
  474   1HB   ASP  66          1HB       ASP  66   4.604  -8.392  -7.077
  475   2HB   ASP  66          2HB       ASP  66   5.877  -7.209  -6.723
  476    H    TYR  67           H        TYR  67   2.948  -8.750  -4.487
  477    HA   TYR  67           HA       TYR  67   2.316  -6.029  -4.032
  478   1HB   TYR  67          1HB       TYR  67   0.950  -8.255  -4.638
  479   2HB   TYR  67          2HB       TYR  67   0.689  -8.328  -2.902
  480    HD1  TYR  67           HD1      TYR  67  -1.334  -8.065  -5.184
  481    HD2  TYR  67           HD2      TYR  67   0.551  -5.108  -2.658
  482    HE1  TYR  67           HE1      TYR  67  -3.162  -6.480  -5.658
  483    HE2  TYR  67           HE2      TYR  67  -1.207  -3.511  -3.255
  484    HH   TYR  67           HH       TYR  67  -2.907  -3.209  -5.174
  485    H    LYS  68           H        LYS  68   2.787  -8.783  -1.835
  486    HA   LYS  68           HA       LYS  68   2.315  -7.316   0.601
  487   1HB   LYS  68          1HB       LYS  68   2.744  -9.247   1.754
  488   2HB   LYS  68          2HB       LYS  68   2.138  -9.883   0.222
  489   1HG   LYS  68          1HG       LYS  68   4.577 -10.220  -0.467
  490   2HG   LYS  68          2HG       LYS  68   5.029  -9.701   1.179
  491   1HD   LYS  68          1HD       LYS  68   3.396 -11.629   1.929
  492   2HD   LYS  68          2HD       LYS  68   3.561 -12.171   0.254
  493   1HE   LYS  68          1HE       LYS  68   5.400 -13.286   1.121
  494   2HE   LYS  68          2HE       LYS  68   6.194 -11.752   0.771
  495   1HZ   LYS  68          1HZ       LYS  68   5.795 -11.069   3.082
  496   2HZ   LYS  68          2HZ       LYS  68   5.042 -12.507   3.382
  497   3HZ   LYS  68          3HZ       LYS  68   6.645 -12.477   3.027
  498    H    ALA  69           H        ALA  69   5.238  -8.440  -1.191
  499    HA   ALA  69           HA       ALA  69   7.208  -7.296   0.433
  500   1HB   ALA  69          1HB       ALA  69   7.644  -8.867  -1.354
  501   2HB   ALA  69          2HB       ALA  69   7.144  -7.659  -2.557
  502   3HB   ALA  69          3HB       ALA  69   8.602  -7.391  -1.558
  503    H    ALA  70           H        ALA  70   5.085  -5.725  -1.976
  504    HA   ALA  70           HA       ALA  70   6.527  -3.225  -2.112
  505   1HB   ALA  70          1HB       ALA  70   4.882  -3.947  -3.808
  506   2HB   ALA  70          2HB       ALA  70   3.572  -3.694  -2.634
  507   3HB   ALA  70          3HB       ALA  70   4.564  -2.336  -3.162
  508    H    ILE  71           H        ILE  71   3.758  -4.285  -0.118
  509    HA   ILE  71           HA       ILE  71   3.646  -1.793   1.425
  510    HB   ILE  71           HB       ILE  71   2.424  -4.536   1.744
  511   1HG1  ILE  71          1HG1      ILE  71   0.785  -2.095   1.462
  512   2HG1  ILE  71          2HG1      ILE  71   1.747  -2.541   0.042
  513   1HG2  ILE  71          1HG2      ILE  71   2.700  -3.743   4.023
  514   2HG2  ILE  71          2HG2      ILE  71   2.012  -2.164   3.572
  515   3HG2  ILE  71          3HG2      ILE  71   1.012  -3.633   3.519
  516   1HD1  ILE  71          1HD1      ILE  71   0.855  -4.826   0.095
  517   2HD1  ILE  71          2HD1      ILE  71  -0.169  -4.416   1.490
  518   3HD1  ILE  71          3HD1      ILE  71  -0.436  -3.638  -0.083
  519    H    GLU  72           H        GLU  72   5.156  -4.943   1.924
  520    HA   GLU  72           HA       GLU  72   6.334  -4.449   4.496
  521   1HB   GLU  72          1HB       GLU  72   7.261  -6.381   2.378
  522   2HB   GLU  72          2HB       GLU  72   7.841  -6.274   4.037
  523   1HG   GLU  72          1HG       GLU  72   5.456  -6.695   4.818
  524   2HG   GLU  72          2HG       GLU  72   5.052  -7.166   3.180
  525    H    PHE  73           H        PHE  73   7.472  -3.626   1.218
  526    HA   PHE  73           HA       PHE  73  10.043  -2.747   1.891
  527   1HB   PHE  73          1HB       PHE  73   9.095  -2.911  -0.403
  528   2HB   PHE  73          2HB       PHE  73   8.153  -1.459  -0.103
  529    HD1  PHE  73           HD1      PHE  73  11.487  -2.806  -0.833
  530    HD2  PHE  73           HD2      PHE  73   9.252   0.762   0.109
  531    HE1  PHE  73           HE1      PHE  73  13.399  -1.400  -1.573
  532    HE2  PHE  73           HE2      PHE  73  11.184   2.150  -0.608
  533    HZ   PHE  73           HZ       PHE  73  13.241   1.071  -1.461
  534    H    MET  74           H        MET  74   6.977  -0.894   2.211
  535    HA   MET  74           HA       MET  74   8.288   1.533   3.078
  536   1HB   MET  74          1HB       MET  74   5.474   0.494   3.261
  537   2HB   MET  74          2HB       MET  74   5.948   2.104   3.893
  538   1HG   MET  74          1HG       MET  74   5.292   2.825   1.824
  539   2HG   MET  74          2HG       MET  74   6.856   2.219   1.306
  540   1HE   MET  74          1HE       MET  74   2.790   1.329   1.292
  541   2HE   MET  74          2HE       MET  74   3.395   2.553   0.140
  542   3HE   MET  74          3HE       MET  74   2.871   0.953  -0.410
  543    H    SER  75           H        SER  75   6.011  -0.446   5.012
  544    HA   SER  75           HA       SER  75   7.879  -0.798   7.193
  545   1HB   SER  75          1HB       SER  75   7.019   1.707   7.315
  546   2HB   SER  75          2HB       SER  75   5.590   0.969   8.043
  547    HG   SER  75           HG       SER  75   7.211   1.526   9.582
  548    H    LYS  76           H        LYS  76   6.257  -2.494   5.622
  549    HA   LYS  76           HA       LYS  76   4.710  -4.172   5.720
  550   1HB   LYS  76          1HB       LYS  76   5.516  -5.893   7.046
  551   2HB   LYS  76          2HB       LYS  76   6.894  -4.828   6.825
  552   1HG   LYS  76          1HG       LYS  76   5.999  -3.837   9.188
  553   2HG   LYS  76          2HG       LYS  76   5.247  -5.428   9.271
  554   1HD   LYS  76          1HD       LYS  76   7.293  -5.633  10.388
  555   2HD   LYS  76          2HD       LYS  76   7.505  -6.477   8.842
  556   1HE   LYS  76          1HE       LYS  76   8.889  -4.750   7.947
  557   2HE   LYS  76          2HE       LYS  76   8.284  -3.540   9.086
  558   1HZ   LYS  76          1HZ       LYS  76   9.435  -4.664  10.846
  559   2HZ   LYS  76          2HZ       LYS  76  10.000  -5.819   9.819
  560   3HZ   LYS  76          3HZ       LYS  76  10.494  -4.256   9.657
  561    H    ALA  77           H        ALA  77   3.145  -2.316   5.946
  562    HA   ALA  77           HA       ALA  77   1.042  -3.464   7.550
  563   1HB   ALA  77          1HB       ALA  77   2.587  -1.688   8.979
  564   2HB   ALA  77          2HB       ALA  77   1.274  -0.646   8.466
  565   3HB   ALA  77          3HB       ALA  77   0.932  -2.158   9.325
  566    H    LYS  78           H        LYS  78   1.221  -0.068   6.585
  567    HA   LYS  78           HA       LYS  78  -1.339  -0.496   5.257
  568   1HB   LYS  78          1HB       LYS  78  -1.882   1.653   5.986
  569   2HB   LYS  78          2HB       LYS  78  -0.857   0.977   7.254
  570   1HG   LYS  78          1HG       LYS  78   0.318   2.878   7.136
  571   2HG   LYS  78          2HG       LYS  78   1.054   2.112   5.737
  572   1HD   LYS  78          1HD       LYS  78  -1.312   3.360   4.727
  573   2HD   LYS  78          2HD       LYS  78  -0.700   4.420   5.982
  574   1HE   LYS  78          1HE       LYS  78   0.266   5.090   3.830
  575   2HE   LYS  78          2HE       LYS  78   1.530   4.453   4.837
  576   1HZ   LYS  78          1HZ       LYS  78   1.419   2.377   3.585
  577   2HZ   LYS  78          2HZ       LYS  78   0.068   2.755   2.903
  578   3HZ   LYS  78          3HZ       LYS  78   1.457   3.573   2.447
  579    HHA  HEC  90           HHA      HEC  90  -6.034   4.328   3.416
  580    HHB  HEC  90           HHB      HEC  90  -1.674  -0.003   1.256
  581    HHC  HEC  90           HHC      HEC  90  -1.958   2.814  -4.549
  582    HHD  HEC  90           HHD      HEC  90  -5.757   7.443  -2.158
  583   1HMA  HEC  90          1HMA      HEC  90  -4.112  -0.950   3.227
  584   2HMA  HEC  90          2HMA      HEC  90  -2.377  -0.581   3.227
  585   3HMA  HEC  90          3HMA      HEC  90  -3.374  -0.145   4.631
  586   1HAA  HEC  90          1HAA      HEC  90  -5.076   1.115   5.252
  587   2HAA  HEC  90          2HAA      HEC  90  -6.296   2.170   4.573
  588   1HBA  HEC  90          1HBA      HEC  90  -4.919   4.171   5.279
  589   2HBA  HEC  90          2HBA      HEC  90  -3.741   3.064   5.979
  590   1HMB  HEC  90          1HMB      HEC  90  -0.638  -1.475  -0.618
  591   2HMB  HEC  90          2HMB      HEC  90   0.671  -0.835  -1.612
  592   3HMB  HEC  90          3HMB      HEC  90   0.437  -0.216   0.011
  593    HAB  HEC  90           HAB      HEC  90  -0.575   1.268  -4.691
  594   1HBB  HEC  90          1HBB      HEC  90  -1.590  -0.980  -4.497
  595   2HBB  HEC  90          2HBB      HEC  90   0.030  -0.966  -5.214
  596   3HBB  HEC  90          3HBB      HEC  90  -0.183  -1.493  -3.542
  597   1HMC  HEC  90          1HMC      HEC  90  -3.784   4.969  -6.708
  598   2HMC  HEC  90          2HMC      HEC  90  -2.327   5.836  -6.155
  599   3HMC  HEC  90          3HMC      HEC  90  -2.398   4.085  -6.149
  600    HAC  HEC  90           HAC      HEC  90  -6.053   7.234  -4.515
  601   1HBC  HEC  90          1HBC      HEC  90  -5.397   6.422  -6.717
  602   2HBC  HEC  90          2HBC      HEC  90  -5.471   8.181  -6.624
  603   3HBC  HEC  90          3HBC      HEC  90  -3.897   7.400  -6.609
  604   1HMD  HEC  90          1HMD      HEC  90  -7.761   8.208  -0.588
  605   2HMD  HEC  90          2HMD      HEC  90  -7.355   8.827   1.030
  606   3HMD  HEC  90          3HMD      HEC  90  -6.221   9.030  -0.300
  607   1HAD  HEC  90          1HAD      HEC  90  -7.826   5.743   3.172
  608   2HAD  HEC  90          2HAD      HEC  90  -8.263   7.203   2.317
  609   1HBD  HEC  90          1HBD      HEC  90  -6.341   8.384   3.478
  610   2HBD  HEC  90          2HBD      HEC  90  -6.134   6.910   4.462
  Start of MODEL   25
    1   1H    ALA  -3          1H        ALA  -3   3.365  -2.104 -18.029
    2   2H    ALA  -3          2H        ALA  -3   3.656  -0.526 -17.586
    3   3H    ALA  -3          3H        ALA  -3   4.721  -1.729 -17.181
    4    HA   ALA  -3           HA       ALA  -3   3.567  -1.201 -15.246
    5   1HB   ALA  -3          1HB       ALA  -3   1.538  -0.272 -16.227
    6   2HB   ALA  -3          2HB       ALA  -3   1.074  -1.867 -16.862
    7   3HB   ALA  -3          3HB       ALA  -3   1.125  -1.584 -15.107
    8    H    ASP  -2           H        ASP  -2   4.294  -2.849 -14.037
    9    HA   ASP  -2           HA       ASP  -2   4.265  -5.626 -15.030
   10   1HB   ASP  -2          1HB       ASP  -2   6.815  -5.217 -15.397
   11   2HB   ASP  -2          2HB       ASP  -2   5.663  -4.702 -16.624
   12    H    LEU  -1           H        LEU  -1   3.943  -6.685 -13.168
   13    HA   LEU  -1           HA       LEU  -1   5.177  -5.956 -10.622
   14   1HB   LEU  -1          1HB       LEU  -1   2.961  -6.979 -10.833
   15   2HB   LEU  -1          2HB       LEU  -1   3.693  -8.394 -11.584
   16    HG   LEU  -1           HG       LEU  -1   5.133  -8.226  -9.200
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.981  -6.705  -7.971
   18   2HD1  LEU  -1          2HD1      LEU  -1   2.419  -7.030  -8.716
   19   3HD1  LEU  -1          3HD1      LEU  -1   3.083  -8.158  -7.524
   20   1HD2  LEU  -1          1HD2      LEU  -1   2.608  -9.801  -9.806
   21   2HD2  LEU  -1          2HD2      LEU  -1   4.276 -10.230 -10.240
   22   3HD2  LEU  -1          3HD2      LEU  -1   3.798 -10.185  -8.540
   23    H    GLN   1           H        GLN   1   7.240  -5.822 -11.816
   24    HA   GLN   1           HA       GLN   1   8.736  -8.404 -11.595
   25   1HB   GLN   1          1HB       GLN   1   8.772  -6.281 -13.595
   26   2HB   GLN   1          2HB       GLN   1  10.343  -6.306 -12.810
   27   1HG   GLN   1          1HG       GLN   1   8.963  -8.711 -14.097
   28   2HG   GLN   1          2HG       GLN   1  10.270  -7.755 -14.806
   29   1HE2  GLN   1          1HE2      GLN   1   9.496 -10.242 -12.402
   30   2HE2  GLN   1          2HE2      GLN   1  11.179 -10.600 -12.034
   31    H    ASP   2           H        ASP   2   8.378  -5.268 -10.271
   32    HA   ASP   2           HA       ASP   2  10.176  -6.005  -8.085
   33   1HB   ASP   2          1HB       ASP   2  11.655  -4.810  -9.683
   34   2HB   ASP   2          2HB       ASP   2  10.594  -3.393  -9.580
   35    H    ALA   3           H        ALA   3   8.615  -5.983  -6.610
   36    HA   ALA   3           HA       ALA   3   6.520  -4.457  -5.985
   37   1HB   ALA   3          1HB       ALA   3   7.551  -6.187  -4.631
   38   2HB   ALA   3          2HB       ALA   3   8.812  -5.051  -4.086
   39   3HB   ALA   3          3HB       ALA   3   7.107  -4.756  -3.690
   40    H    GLU   4           H        GLU   4   9.894  -3.105  -5.762
   41    HA   GLU   4           HA       GLU   4   9.092  -0.579  -4.611
   42   1HB   GLU   4          1HB       GLU   4  11.393  -1.098  -4.489
   43   2HB   GLU   4          2HB       GLU   4  11.533  -1.351  -6.237
   44   1HG   GLU   4          1HG       GLU   4  11.171   1.008  -6.690
   45   2HG   GLU   4          2HG       GLU   4  10.717   1.329  -5.011
   46    H    ALA   5           H        ALA   5   9.392  -1.833  -7.932
   47    HA   ALA   5           HA       ALA   5   8.848   0.743  -9.193
   48   1HB   ALA   5          1HB       ALA   5  10.137  -1.027 -10.332
   49   2HB   ALA   5          2HB       ALA   5   8.689  -2.060 -10.380
   50   3HB   ALA   5          3HB       ALA   5   8.706  -0.522 -11.257
   51    H    ILE   6           H        ILE   6   6.919  -2.084  -8.176
   52    HA   ILE   6           HA       ILE   6   4.442  -1.125  -9.318
   53    HB   ILE   6           HB       ILE   6   5.133  -3.030  -7.073
   54   1HG1  ILE   6          1HG1      ILE   6   5.548  -3.854  -9.321
   55   2HG1  ILE   6          2HG1      ILE   6   4.194  -4.692  -8.573
   56   1HG2  ILE   6          1HG2      ILE   6   3.086  -2.175  -6.249
   57   2HG2  ILE   6          2HG2      ILE   6   2.330  -2.174  -7.852
   58   3HG2  ILE   6          3HG2      ILE   6   2.708  -3.706  -7.033
   59   1HD1  ILE   6          1HD1      ILE   6   2.652  -3.080  -9.892
   60   2HD1  ILE   6          2HD1      ILE   6   4.103  -2.691 -10.840
   61   3HD1  ILE   6          3HD1      ILE   6   3.489  -4.344 -10.787
   62    H    TYR   7           H        TYR   7   5.778  -0.670  -5.914
   63    HA   TYR   7           HA       TYR   7   3.483   0.955  -5.433
   64   1HB   TYR   7          1HB       TYR   7   4.140   1.278  -3.290
   65   2HB   TYR   7          2HB       TYR   7   5.061  -0.162  -3.668
   66    HD1  TYR   7           HD1      TYR   7   7.409  -0.093  -3.275
   67    HD2  TYR   7           HD2      TYR   7   5.184   3.586  -3.397
   68    HE1  TYR   7           HE1      TYR   7   9.522   1.207  -3.038
   69    HE2  TYR   7           HE2      TYR   7   7.279   4.872  -3.111
   70    HH   TYR   7           HH       TYR   7   9.555   4.774  -3.108
   71    H    ASN   8           H        ASN   8   6.720   1.763  -6.519
   72    HA   ASN   8           HA       ASN   8   6.447   4.587  -6.464
   73   1HB   ASN   8          1HB       ASN   8   8.548   3.227  -6.383
   74   2HB   ASN   8          2HB       ASN   8   8.288   2.786  -8.084
   75   1HD2  ASN   8          1HD2      ASN   8  10.319   3.668  -8.650
   76   2HD2  ASN   8          2HD2      ASN   8  10.555   5.410  -8.668
   77    H    LYS   9           H        LYS   9   5.459   2.210  -8.878
   78    HA   LYS   9           HA       LYS   9   4.701   4.323 -10.801
   79   1HB   LYS   9          1HB       LYS   9   5.712   2.167 -11.440
   80   2HB   LYS   9          2HB       LYS   9   4.237   1.335 -10.893
   81   1HG   LYS   9          1HG       LYS   9   2.937   2.646 -12.569
   82   2HG   LYS   9          2HG       LYS   9   4.420   3.421 -13.127
   83   1HD   LYS   9          1HD       LYS   9   3.879   0.407 -13.078
   84   2HD   LYS   9          2HD       LYS   9   3.601   1.408 -14.500
   85   1HE   LYS   9          1HE       LYS   9   6.341   0.996 -13.167
   86   2HE   LYS   9          2HE       LYS   9   5.752   0.058 -14.528
   87   1HZ   LYS   9          1HZ       LYS   9   5.616   2.074 -15.821
   88   2HZ   LYS   9          2HZ       LYS   9   6.159   2.978 -14.559
   89   3HZ   LYS   9          3HZ       LYS   9   7.139   1.852 -15.251
   90    H    ALA  10           H        ALA  10   3.145   2.422  -8.258
   91    HA   ALA  10           HA       ALA  10   0.420   3.198  -9.266
   92   1HB   ALA  10          1HB       ALA  10   0.896   0.778  -9.177
   93   2HB   ALA  10          2HB       ALA  10   1.161   0.903  -7.423
   94   3HB   ALA  10          3HB       ALA  10  -0.426   1.276  -8.106
   95    H    CYS  11           H        CYS  11   1.978   2.560  -6.060
   96    HA   CYS  11           HA       CYS  11   0.005   4.223  -4.685
   97   1HB   CYS  11          1HB       CYS  11   2.443   3.284  -3.294
   98   2HB   CYS  11          2HB       CYS  11   0.771   3.283  -2.753
   99    H    THR  12           H        THR  12   1.286   5.717  -6.621
  100    HA   THR  12           HA       THR  12   3.266   7.386  -5.165
  101    HB   THR  12           HB       THR  12   4.175   5.727  -6.871
  102    HG1  THR  12           HG1      THR  12   4.529   8.385  -7.645
  103   1HG2  THR  12          1HG2      THR  12   2.289   5.967  -8.529
  104   2HG2  THR  12          2HG2      THR  12   2.780   7.637  -8.851
  105   3HG2  THR  12          3HG2      THR  12   3.846   6.319  -9.281
  106    H    VAL  13           H        VAL  13   0.320   7.571  -6.259
  107    HA   VAL  13           HA       VAL  13   0.492  10.266  -7.516
  108    HB   VAL  13           HB       VAL  13  -1.842   8.335  -7.086
  109   1HG1  VAL  13          1HG1      VAL  13  -2.520  10.671  -7.362
  110   2HG1  VAL  13          2HG1      VAL  13  -1.487  10.808  -8.805
  111   3HG1  VAL  13          3HG1      VAL  13  -2.916   9.738  -8.821
  112   1HG2  VAL  13          1HG2      VAL  13  -0.078   8.758  -9.535
  113   2HG2  VAL  13          2HG2      VAL  13  -0.219   7.265  -8.583
  114   3HG2  VAL  13          3HG2      VAL  13  -1.599   7.841  -9.516
  115    H    CYS  14           H        CYS  14  -0.899   8.437  -4.882
  116    HA   CYS  14           HA       CYS  14  -1.983  10.780  -3.481
  117   1HB   CYS  14          1HB       CYS  14  -2.322   7.784  -3.215
  118   2HB   CYS  14          2HB       CYS  14  -3.344   9.018  -2.446
  119    H    HIS  15           H        HIS  15  -0.224   7.776  -2.656
  120    HA   HIS  15           HA       HIS  15   0.356   8.633   0.025
  121   1HB   HIS  15          1HB       HIS  15   1.311   6.317  -1.692
  122   2HB   HIS  15          2HB       HIS  15   1.742   6.519  -0.002
  123    HD1  HIS  15           HD1      HIS  15  -0.119   6.182   1.779
  124    HD2  HIS  15           HD2      HIS  15  -1.186   5.407  -2.189
  125    HE1  HIS  15           HE1      HIS  15  -2.080   4.512   1.868
  126    H    SER  16           H        SER  16   2.173   8.997  -2.942
  127    HA   SER  16           HA       SER  16   4.827   9.127  -1.882
  128   1HB   SER  16          1HB       SER  16   3.526  10.166  -4.406
  129   2HB   SER  16          2HB       SER  16   5.158  10.704  -3.981
  130    HG   SER  16           HG       SER  16   5.036   8.683  -5.267
  131    H    MET  17           H        MET  17   2.436  11.703  -2.469
  132    HA   MET  17           HA       MET  17   4.108  13.594  -0.864
  133   1HB   MET  17          1HB       MET  17   3.290  13.968  -3.368
  134   2HB   MET  17          2HB       MET  17   1.791  14.431  -2.567
  135   1HG   MET  17          1HG       MET  17   2.853  16.463  -2.665
  136   2HG   MET  17          2HG       MET  17   3.451  15.934  -1.089
  137   1HE   MET  17          1HE       MET  17   4.659  18.290  -2.738
  138   2HE   MET  17          2HE       MET  17   5.410  17.745  -1.213
  139   3HE   MET  17          3HE       MET  17   6.410  17.975  -2.669
  140    H    GLY  18           H        GLY  18   1.048  11.825  -0.872
  141   1HA   GLY  18          1HA       GLY  18  -0.410  11.604   0.930
  142   2HA   GLY  18          2HA       GLY  18   0.266  13.023   1.726
  143    H    VAL  19           H        VAL  19  -1.378  12.220  -1.353
  144    HA   VAL  19           HA       VAL  19  -3.039  14.705  -1.188
  145    HB   VAL  19           HB       VAL  19  -2.254  13.048  -3.621
  146   1HG1  VAL  19          1HG1      VAL  19  -4.396  14.092  -4.088
  147   2HG1  VAL  19          2HG1      VAL  19  -3.847  15.637  -3.384
  148   3HG1  VAL  19          3HG1      VAL  19  -3.146  15.027  -4.892
  149   1HG2  VAL  19          1HG2      VAL  19  -1.319  15.788  -2.663
  150   2HG2  VAL  19          2HG2      VAL  19  -0.357  14.296  -2.719
  151   3HG2  VAL  19          3HG2      VAL  19  -0.902  15.040  -4.222
  152    H    ALA  20           H        ALA  20  -5.254  14.456  -2.052
  153    HA   ALA  20           HA       ALA  20  -7.356  13.627  -1.701
  154   1HB   ALA  20          1HB       ALA  20  -6.619  12.206  -3.606
  155   2HB   ALA  20          2HB       ALA  20  -6.109  10.957  -2.449
  156   3HB   ALA  20          3HB       ALA  20  -7.819  11.409  -2.568
  157    H    GLY  21           H        GLY  21  -5.462  13.652   0.556
  158   1HA   GLY  21          1HA       GLY  21  -5.659  13.303   2.839
  159   2HA   GLY  21          2HA       GLY  21  -7.087  12.299   2.575
  160    H    ALA  22           H        ALA  22  -4.377  11.263   0.646
  161    HA   ALA  22           HA       ALA  22  -4.449   8.785   1.936
  162   1HB   ALA  22          1HB       ALA  22  -4.032   9.065  -0.424
  163   2HB   ALA  22          2HB       ALA  22  -2.471   9.842  -0.102
  164   3HB   ALA  22          3HB       ALA  22  -2.716   8.127   0.289
  165    HA   PRO  23           HA       PRO  23  -1.379   9.119   5.191
  166   1HB   PRO  23          1HB       PRO  23  -0.978   6.526   5.754
  167   2HB   PRO  23          2HB       PRO  23  -2.595   7.283   5.956
  168   1HG   PRO  23          1HG       PRO  23  -1.579   5.757   3.597
  169   2HG   PRO  23          2HG       PRO  23  -3.063   5.384   4.534
  170   1HD   PRO  23          1HD       PRO  23  -3.237   6.863   2.278
  171   2HD   PRO  23          2HD       PRO  23  -4.108   7.386   3.747
  172    H    LYS  24           H        LYS  24   0.900   8.816   5.574
  173    HA   LYS  24           HA       LYS  24   2.371   8.667   2.971
  174   1HB   LYS  24          1HB       LYS  24   3.004  10.232   5.496
  175   2HB   LYS  24          2HB       LYS  24   3.921  10.212   3.987
  176   1HG   LYS  24          1HG       LYS  24   2.695  12.079   3.541
  177   2HG   LYS  24          2HG       LYS  24   1.611  10.872   2.872
  178   1HD   LYS  24          1HD       LYS  24   0.302  12.405   4.151
  179   2HD   LYS  24          2HD       LYS  24   0.302  10.911   5.052
  180   1HE   LYS  24          1HE       LYS  24   2.582  12.588   5.880
  181   2HE   LYS  24          2HE       LYS  24   1.097  13.536   5.895
  182   1HZ   LYS  24          1HZ       LYS  24   0.117  11.729   7.276
  183   2HZ   LYS  24          2HZ       LYS  24   1.606  11.028   7.383
  184   3HZ   LYS  24          3HZ       LYS  24   1.372  12.517   7.994
  185    H    SER  25           H        SER  25   4.299   7.583   2.687
  186    HA   SER  25           HA       SER  25   4.865   5.361   4.477
  187   1HB   SER  25          1HB       SER  25   6.530   4.907   2.600
  188   2HB   SER  25          2HB       SER  25   4.817   4.995   2.122
  189    HG   SER  25           HG       SER  25   6.301   6.261   0.780
  190    H    HIS  26           H        HIS  26   5.327   7.473   6.022
  191    HA   HIS  26           HA       HIS  26   8.205   7.119   6.518
  192   1HB   HIS  26          1HB       HIS  26   8.967   9.272   6.313
  193   2HB   HIS  26          2HB       HIS  26   7.779   9.269   5.013
  194    HD1  HIS  26           HD1      HIS  26   8.339  10.612   8.569
  195    HD2  HIS  26           HD2      HIS  26   5.535  10.792   5.445
  196    HE1  HIS  26           HE1      HIS  26   6.600  12.351   9.251
  197    H    ASN  27           H        ASN  27   5.180   8.317   7.785
  198    HA   ASN  27           HA       ASN  27   6.219   8.821  10.496
  199   1HB   ASN  27          1HB       ASN  27   3.618   8.945  10.886
  200   2HB   ASN  27          2HB       ASN  27   4.430  10.249   9.987
  201   1HD2  ASN  27          1HD2      ASN  27   3.555   7.020   8.678
  202   2HD2  ASN  27          2HD2      ASN  27   2.539   7.693   7.419
  203    H    THR  28           H        THR  28   5.737   7.355  12.302
  204    HA   THR  28           HA       THR  28   5.032   4.597  11.410
  205    HB   THR  28           HB       THR  28   5.854   5.524  14.170
  206    HG1  THR  28           HG1      THR  28   7.864   4.552  13.382
  207   1HG2  THR  28          1HG2      THR  28   4.722   3.311  14.135
  208   2HG2  THR  28          2HG2      THR  28   5.750   2.796  12.783
  209   3HG2  THR  28          3HG2      THR  28   6.460   3.097  14.380
  210    H    ALA  29           H        ALA  29   3.608   7.273  13.295
  211    HA   ALA  29           HA       ALA  29   1.585   5.904  14.630
  212   1HB   ALA  29          1HB       ALA  29   2.155   8.252  14.981
  213   2HB   ALA  29          2HB       ALA  29   1.470   8.664  13.384
  214   3HB   ALA  29          3HB       ALA  29   0.415   8.038  14.675
  215    H    ASP  30           H        ASP  30   1.594   6.785  11.181
  216    HA   ASP  30           HA       ASP  30  -1.229   6.209  10.812
  217   1HB   ASP  30          1HB       ASP  30   0.460   7.778   9.495
  218   2HB   ASP  30          2HB       ASP  30   0.795   6.306   8.562
  219    H    TRP  31           H        TRP  31   1.766   4.470  10.677
  220    HA   TRP  31           HA       TRP  31   0.749   2.069   9.304
  221   1HB   TRP  31          1HB       TRP  31   3.466   3.006  10.277
  222   2HB   TRP  31          2HB       TRP  31   3.186   1.370   9.624
  223    HD1  TRP  31           HD1      TRP  31   2.938   5.085   8.730
  224    HE1  TRP  31           HE1      TRP  31   3.176   5.513   6.269
  225    HE3  TRP  31           HE3      TRP  31   3.346   0.219   7.160
  226    HZ2  TRP  31           HZ2      TRP  31   3.201   3.951   3.860
  227    HZ3  TRP  31           HZ3      TRP  31   3.306  -0.236   4.699
  228    HH2  TRP  31           HH2      TRP  31   3.166   1.635   3.109
  229    H    GLU  32           H        GLU  32   1.574   3.095  12.612
  230    HA   GLU  32           HA       GLU  32   1.702   0.667  13.961
  231   1HB   GLU  32          1HB       GLU  32   2.294   2.637  15.026
  232   2HB   GLU  32          2HB       GLU  32   0.745   3.427  14.768
  233   1HG   GLU  32          1HG       GLU  32   0.893   0.883  16.440
  234   2HG   GLU  32          2HG       GLU  32   1.342   2.449  17.125
  235    HA   PRO  33           HA       PRO  33  -3.038   0.335  14.473
  236   1HB   PRO  33          1HB       PRO  33  -4.770   1.908  13.039
  237   2HB   PRO  33          2HB       PRO  33  -4.006   2.421  14.571
  238   1HG   PRO  33          1HG       PRO  33  -2.991   3.004  11.771
  239   2HG   PRO  33          2HG       PRO  33  -3.350   4.194  13.057
  240   1HD   PRO  33          1HD       PRO  33  -0.885   3.292  12.660
  241   2HD   PRO  33          2HD       PRO  33  -1.501   3.451  14.330
  242    H    ARG  34           H        ARG  34  -1.136  -0.101  11.905
  243    HA   ARG  34           HA       ARG  34  -3.034  -2.016  10.632
  244   1HB   ARG  34          1HB       ARG  34  -0.722  -0.419   9.405
  245   2HB   ARG  34          2HB       ARG  34  -1.414  -1.858   8.681
  246   1HG   ARG  34          1HG       ARG  34  -2.678  -0.165   7.663
  247   2HG   ARG  34          2HG       ARG  34  -3.715  -0.659   8.976
  248   1HD   ARG  34          1HD       ARG  34  -2.066   1.433  10.030
  249   2HD   ARG  34          2HD       ARG  34  -2.450   1.907   8.377
  250    HE   ARG  34           HE       ARG  34  -4.724   0.896   9.940
  251   1HH1  ARG  34          2HH1      ARG  34  -2.879   3.879   9.377
  252   2HH1  ARG  34          1HH1      ARG  34  -4.291   4.878   9.299
  253   1HH2  ARG  34          1HH2      ARG  34  -6.528   2.200   9.939
  254   2HH2  ARG  34          2HH2      ARG  34  -6.376   3.935   9.871
  255    H    LEU  35           H        LEU  35   0.371  -1.372  11.490
  256    HA   LEU  35           HA       LEU  35   1.293  -4.028  11.295
  257   1HB   LEU  35          1HB       LEU  35   2.405  -1.512  11.751
  258   2HB   LEU  35          2HB       LEU  35   2.693  -2.332  13.276
  259    HG   LEU  35           HG       LEU  35   3.548  -3.224  10.487
  260   1HD1  LEU  35          1HD1      LEU  35   4.837  -1.343  11.420
  261   2HD1  LEU  35          2HD1      LEU  35   5.142  -2.273  12.905
  262   3HD1  LEU  35          3HD1      LEU  35   5.824  -2.812  11.357
  263   1HD2  LEU  35          1HD2      LEU  35   4.020  -4.623  13.139
  264   2HD2  LEU  35          2HD2      LEU  35   3.122  -5.257  11.731
  265   3HD2  LEU  35          3HD2      LEU  35   4.858  -4.992  11.612
  266    H    ALA  36           H        ALA  36  -0.715  -2.621  13.680
  267    HA   ALA  36           HA       ALA  36   0.145  -4.261  15.960
  268   1HB   ALA  36          1HB       ALA  36  -0.560  -1.922  16.321
  269   2HB   ALA  36          2HB       ALA  36  -2.138  -2.267  15.583
  270   3HB   ALA  36          3HB       ALA  36  -1.682  -3.047  17.113
  271    H    LYS  37           H        LYS  37  -2.342  -4.058  13.454
  272    HA   LYS  37           HA       LYS  37  -3.878  -6.279  14.529
  273   1HB   LYS  37          1HB       LYS  37  -3.986  -4.642  11.979
  274   2HB   LYS  37          2HB       LYS  37  -4.931  -6.127  12.126
  275   1HG   LYS  37          1HG       LYS  37  -5.088  -4.010  14.279
  276   2HG   LYS  37          2HG       LYS  37  -6.019  -3.846  12.777
  277   1HD   LYS  37          1HD       LYS  37  -7.237  -5.886  13.150
  278   2HD   LYS  37          2HD       LYS  37  -6.109  -6.440  14.377
  279   1HE   LYS  37          1HE       LYS  37  -8.147  -5.752  15.465
  280   2HE   LYS  37          2HE       LYS  37  -6.811  -4.697  15.943
  281   1HZ   LYS  37          1HZ       LYS  37  -7.625  -3.067  14.355
  282   2HZ   LYS  37          2HZ       LYS  37  -8.870  -4.052  13.921
  283   3HZ   LYS  37          3HZ       LYS  37  -8.798  -3.441  15.444
  284    H    GLY  38           H        GLY  38  -1.695  -5.721  11.742
  285   1HA   GLY  38          1HA       GLY  38   0.003  -7.894  12.081
  286   2HA   GLY  38          2HA       GLY  38  -1.365  -8.563  11.181
  287    H    VAL  39           H        VAL  39  -0.745  -8.728   9.084
  288    HA   VAL  39           HA       VAL  39   0.370  -6.332   7.672
  289    HB   VAL  39           HB       VAL  39   1.432  -9.143   7.160
  290   1HG1  VAL  39          1HG1      VAL  39   1.786  -7.369   5.449
  291   2HG1  VAL  39          2HG1      VAL  39   2.552  -6.353   6.691
  292   3HG1  VAL  39          3HG1      VAL  39   3.315  -7.875   6.195
  293   1HG2  VAL  39          1HG2      VAL  39   2.612  -7.152   9.137
  294   2HG2  VAL  39          2HG2      VAL  39   2.029  -8.797   9.491
  295   3HG2  VAL  39          3HG2      VAL  39   3.451  -8.570   8.478
  296    H    ASP  40           H        ASP  40  -0.657  -9.707   7.052
  297    HA   ASP  40           HA       ASP  40  -1.671  -9.297   4.525
  298   1HB   ASP  40          1HB       ASP  40  -2.683 -11.414   6.431
  299   2HB   ASP  40          2HB       ASP  40  -2.393 -11.525   4.689
  300    H    ASN  41           H        ASN  41  -2.958  -7.562   6.834
  301    HA   ASN  41           HA       ASN  41  -5.832  -8.026   6.344
  302   1HB   ASN  41          1HB       ASN  41  -4.927  -5.866   8.200
  303   2HB   ASN  41          2HB       ASN  41  -6.205  -6.995   8.464
  304   1HD2  ASN  41          1HD2      ASN  41  -3.501  -5.894   9.752
  305   2HD2  ASN  41          2HD2      ASN  41  -3.016  -7.354  10.588
  306    H    LEU  42           H        LEU  42  -3.153  -5.963   5.536
  307    HA   LEU  42           HA       LEU  42  -4.978  -3.844   4.496
  308   1HB   LEU  42          1HB       LEU  42  -2.016  -3.993   5.048
  309   2HB   LEU  42          2HB       LEU  42  -2.748  -2.711   4.112
  310    HG   LEU  42           HG       LEU  42  -2.503  -1.911   6.339
  311   1HD1  LEU  42          1HD1      LEU  42  -4.673  -1.320   5.178
  312   2HD1  LEU  42          2HD1      LEU  42  -5.470  -2.547   6.172
  313   3HD1  LEU  42          3HD1      LEU  42  -4.684  -1.172   6.934
  314   1HD2  LEU  42          1HD2      LEU  42  -4.254  -4.078   7.425
  315   2HD2  LEU  42          2HD2      LEU  42  -2.474  -4.226   7.431
  316   3HD2  LEU  42          3HD2      LEU  42  -3.294  -2.934   8.329
  317    H    VAL  43           H        VAL  43  -2.437  -6.109   3.347
  318    HA   VAL  43           HA       VAL  43  -2.581  -5.372   0.631
  319    HB   VAL  43           HB       VAL  43  -0.989  -6.967   1.784
  320   1HG1  VAL  43          1HG1      VAL  43  -2.766  -8.519   2.684
  321   2HG1  VAL  43          2HG1      VAL  43  -3.015  -9.107   1.025
  322   3HG1  VAL  43          3HG1      VAL  43  -1.442  -9.315   1.810
  323   1HG2  VAL  43          1HG2      VAL  43  -2.096  -7.819  -0.923
  324   2HG2  VAL  43          2HG2      VAL  43  -0.928  -6.515  -0.638
  325   3HG2  VAL  43          3HG2      VAL  43  -0.488  -8.190  -0.273
  326    H    LYS  44           H        LYS  44  -4.811  -7.404   2.548
  327    HA   LYS  44           HA       LYS  44  -6.528  -8.016   0.343
  328   1HB   LYS  44          1HB       LYS  44  -8.237  -8.556   1.968
  329   2HB   LYS  44          2HB       LYS  44  -6.703  -9.399   2.212
  330   1HG   LYS  44          1HG       LYS  44  -6.157  -8.263   4.102
  331   2HG   LYS  44          2HG       LYS  44  -7.079  -6.825   3.687
  332   1HD   LYS  44          1HD       LYS  44  -8.524  -9.400   4.295
  333   2HD   LYS  44          2HD       LYS  44  -7.946  -8.356   5.609
  334   1HE   LYS  44          1HE       LYS  44  -9.096  -6.422   4.781
  335   2HE   LYS  44          2HE       LYS  44  -9.602  -7.251   3.302
  336   1HZ   LYS  44          1HZ       LYS  44 -10.935  -8.740   4.665
  337   2HZ   LYS  44          2HZ       LYS  44 -10.482  -7.950   6.034
  338   3HZ   LYS  44          3HZ       LYS  44 -11.391  -7.176   4.902
  339    H    SER  45           H        SER  45  -6.455  -5.140   2.474
  340    HA   SER  45           HA       SER  45  -9.005  -4.076   1.537
  341   1HB   SER  45          1HB       SER  45  -6.738  -3.082   3.239
  342   2HB   SER  45          2HB       SER  45  -7.693  -1.873   2.375
  343    HG   SER  45           HG       SER  45  -8.640  -2.285   4.363
  344    H    VAL  46           H        VAL  46  -5.576  -3.910   0.545
  345    HA   VAL  46           HA       VAL  46  -5.924  -1.930  -1.395
  346    HB   VAL  46           HB       VAL  46  -3.917  -4.034  -0.841
  347   1HG1  VAL  46          1HG1      VAL  46  -3.782  -3.882  -3.281
  348   2HG1  VAL  46          2HG1      VAL  46  -3.704  -2.101  -3.162
  349   3HG1  VAL  46          3HG1      VAL  46  -2.388  -3.110  -2.521
  350   1HG2  VAL  46          1HG2      VAL  46  -3.650  -1.045  -0.880
  351   2HG2  VAL  46          2HG2      VAL  46  -4.062  -2.006   0.564
  352   3HG2  VAL  46          3HG2      VAL  46  -2.497  -2.228  -0.233
  353    H    LYS  47           H        LYS  47  -5.859  -5.507  -1.809
  354    HA   LYS  47           HA       LYS  47  -6.653  -5.472  -4.543
  355   1HB   LYS  47          1HB       LYS  47  -6.593  -7.683  -4.473
  356   2HB   LYS  47          2HB       LYS  47  -5.704  -7.243  -3.005
  357   1HG   LYS  47          1HG       LYS  47  -8.139  -7.560  -1.909
  358   2HG   LYS  47          2HG       LYS  47  -8.387  -8.601  -3.301
  359   1HD   LYS  47          1HD       LYS  47  -5.898  -8.762  -1.547
  360   2HD   LYS  47          2HD       LYS  47  -7.411  -9.558  -1.062
  361   1HE   LYS  47          1HE       LYS  47  -7.346 -11.069  -2.880
  362   2HE   LYS  47          2HE       LYS  47  -6.117 -10.150  -3.755
  363   1HZ   LYS  47          1HZ       LYS  47  -4.439 -10.861  -2.178
  364   2HZ   LYS  47          2HZ       LYS  47  -5.570 -11.468  -1.160
  365   3HZ   LYS  47          3HZ       LYS  47  -5.273 -12.176  -2.606
  366    H    THR  48           H        THR  48  -8.668  -5.355  -1.654
  367    HA   THR  48           HA       THR  48 -11.176  -5.432  -3.064
  368    HB   THR  48           HB       THR  48 -10.426  -4.329  -0.337
  369    HG1  THR  48           HG1      THR  48 -11.397  -6.359   0.251
  370   1HG2  THR  48          1HG2      THR  48 -12.586  -3.343  -0.946
  371   2HG2  THR  48          2HG2      THR  48 -13.177  -4.925  -1.506
  372   3HG2  THR  48          3HG2      THR  48 -12.844  -4.648   0.216
  373    H    GLY  49           H        GLY  49  -9.007  -2.643  -2.287
  374   1HA   GLY  49          1HA       GLY  49  -9.123  -0.519  -3.217
  375   2HA   GLY  49          2HA       GLY  49 -10.657  -0.882  -4.004
  376    H    LEU  50           H        LEU  50  -9.201   0.778  -1.505
  377    HA   LEU  50           HA       LEU  50 -11.452   0.942   0.356
  378   1HB   LEU  50          1HB       LEU  50  -8.845   1.217   0.697
  379   2HB   LEU  50          2HB       LEU  50  -9.153   2.868   0.231
  380    HG   LEU  50           HG       LEU  50 -11.087   2.461   2.227
  381   1HD1  LEU  50          1HD1      LEU  50 -10.328   0.161   2.651
  382   2HD1  LEU  50          2HD1      LEU  50  -8.682   0.747   2.956
  383   3HD1  LEU  50          3HD1      LEU  50  -9.999   1.212   4.043
  384   1HD2  LEU  50          1HD2      LEU  50  -8.176   3.258   2.560
  385   2HD2  LEU  50          2HD2      LEU  50  -9.521   4.335   2.124
  386   3HD2  LEU  50          3HD2      LEU  50  -9.469   3.594   3.734
  387    H    ASN  51           H        ASN  51 -11.750   3.626   0.905
  388    HA   ASN  51           HA       ASN  51 -13.908   4.192  -0.726
  389   1HB   ASN  51          1HB       ASN  51 -12.266   6.335   0.781
  390   2HB   ASN  51          2HB       ASN  51 -13.992   6.404   0.394
  391   1HD2  ASN  51          1HD2      ASN  51 -15.056   4.157   1.082
  392   2HD2  ASN  51          2HD2      ASN  51 -13.951   3.229   2.033
  393    H    ALA  52           H        ALA  52 -10.901   5.812  -0.697
  394    HA   ALA  52           HA       ALA  52 -11.275   7.036  -3.408
  395   1HB   ALA  52          1HB       ALA  52 -11.283   8.589  -1.576
  396   2HB   ALA  52          2HB       ALA  52  -9.893   7.821  -0.828
  397   3HB   ALA  52          3HB       ALA  52  -9.680   8.743  -2.357
  398    H    MET  53           H        MET  53 -10.385   4.255  -2.840
  399    HA   MET  53           HA       MET  53  -7.777   4.523  -4.233
  400   1HB   MET  53          1HB       MET  53  -7.449   4.098  -1.782
  401   2HB   MET  53          2HB       MET  53  -8.260   2.534  -2.002
  402   1HG   MET  53          1HG       MET  53  -6.584   1.921  -3.706
  403   2HG   MET  53          2HG       MET  53  -5.848   3.515  -3.565
  404   1HE   MET  53          1HE       MET  53  -7.025   0.991  -0.751
  405   2HE   MET  53          2HE       MET  53  -6.195  -0.003  -1.965
  406   3HE   MET  53          3HE       MET  53  -5.477   0.190  -0.352
  407    HA   PRO  54           HA       PRO  54 -10.042   1.810  -6.966
  408   1HB   PRO  54          1HB       PRO  54  -8.056   1.261  -8.833
  409   2HB   PRO  54          2HB       PRO  54  -8.933   2.817  -8.723
  410   1HG   PRO  54          1HG       PRO  54  -6.271   2.083  -7.510
  411   2HG   PRO  54          2HG       PRO  54  -6.648   3.526  -8.499
  412   1HD   PRO  54          1HD       PRO  54  -6.555   3.601  -5.817
  413   2HD   PRO  54          2HD       PRO  54  -7.829   4.516  -6.683
  414    HA   PRO  55           HA       PRO  55  -9.303  -2.287  -5.609
  415   1HB   PRO  55          1HB       PRO  55  -9.762  -3.918  -7.765
  416   2HB   PRO  55          2HB       PRO  55 -11.045  -3.009  -6.917
  417   1HG   PRO  55          1HG       PRO  55  -9.555  -2.163  -9.419
  418   2HG   PRO  55          2HG       PRO  55 -11.327  -2.221  -9.176
  419   1HD   PRO  55          1HD       PRO  55  -9.994   0.086  -8.868
  420   2HD   PRO  55          2HD       PRO  55 -11.255  -0.346  -7.681
  421    H    GLY  56           H        GLY  56  -7.431  -3.242  -5.074
  422   1HA   GLY  56          1HA       GLY  56  -5.264  -4.086  -5.262
  423   2HA   GLY  56          2HA       GLY  56  -5.363  -3.850  -7.001
  424    H    GLY  57           H        GLY  57  -6.177  -0.948  -5.294
  425   1HA   GLY  57          1HA       GLY  57  -5.004   0.979  -4.910
  426   2HA   GLY  57          2HA       GLY  57  -3.602  -0.009  -4.522
  427    H    MET  58           H        MET  58  -5.267  -0.119  -7.622
  428    HA   MET  58           HA       MET  58  -4.945   0.674  -9.687
  429   1HB   MET  58          1HB       MET  58  -4.110   2.790  -8.219
  430   2HB   MET  58          2HB       MET  58  -2.633   2.480  -9.107
  431   1HG   MET  58          1HG       MET  58  -5.338   2.758 -10.519
  432   2HG   MET  58          2HG       MET  58  -4.448   4.143  -9.919
  433   1HE   MET  58          1HE       MET  58  -3.331   0.954 -12.140
  434   2HE   MET  58          2HE       MET  58  -4.812   1.667 -12.833
  435   3HE   MET  58          3HE       MET  58  -3.252   1.839 -13.671
  436    H    CYS  59           H        CYS  59  -4.190  -1.660  -9.372
  437    HA   CYS  59           HA       CYS  59  -1.615  -2.033 -10.831
  438   1HB   CYS  59          1HB       CYS  59  -2.022  -2.697  -8.195
  439   2HB   CYS  59          2HB       CYS  59  -2.433  -4.217  -8.999
  440    H    THR  60           H        THR  60  -1.573  -4.206 -11.956
  441    HA   THR  60           HA       THR  60  -4.299  -5.017 -12.939
  442    HB   THR  60           HB       THR  60  -1.740  -4.793 -14.570
  443    HG1  THR  60           HG1      THR  60  -3.183  -3.288 -15.683
  444   1HG2  THR  60          1HG2      THR  60  -3.138  -6.703 -15.374
  445   2HG2  THR  60          2HG2      THR  60  -4.567  -5.649 -15.367
  446   3HG2  THR  60          3HG2      THR  60  -3.229  -5.339 -16.488
  447    H    ASP  61           H        ASP  61  -1.167  -6.554 -13.691
  448    HA   ASP  61           HA       ASP  61  -2.274  -9.115 -12.734
  449   1HB   ASP  61          1HB       ASP  61  -1.515  -8.898 -15.066
  450   2HB   ASP  61          2HB       ASP  61   0.099  -8.404 -14.512
  451    H    CYS  62           H        CYS  62  -1.980  -8.051 -10.575
  452    HA   CYS  62           HA       CYS  62   0.809  -8.319  -9.522
  453   1HB   CYS  62          1HB       CYS  62  -1.405  -6.504  -8.553
  454   2HB   CYS  62          2HB       CYS  62   0.261  -6.530  -8.005
  455    H    THR  63           H        THR  63   1.218  -9.678  -7.893
  456    HA   THR  63           HA       THR  63  -1.097 -10.991  -6.509
  457    HB   THR  63           HB       THR  63   1.453 -12.271  -7.563
  458    HG1  THR  63           HG1      THR  63   0.001 -13.192  -9.048
  459   1HG2  THR  63          1HG2      THR  63   0.603 -13.494  -5.578
  460   2HG2  THR  63          2HG2      THR  63  -1.041 -13.469  -6.257
  461   3HG2  THR  63          3HG2      THR  63   0.243 -14.402  -7.049
  462    H    ASP  64           H        ASP  64  -0.873 -11.541  -4.380
  463    HA   ASP  64           HA       ASP  64   0.303 -10.160  -2.455
  464   1HB   ASP  64          1HB       ASP  64  -0.252 -13.096  -2.654
  465   2HB   ASP  64          2HB       ASP  64   0.047 -12.228  -1.151
  466    H    GLU  65           H        GLU  65   2.027 -12.837  -4.053
  467    HA   GLU  65           HA       GLU  65   4.519 -13.056  -3.022
  468   1HB   GLU  65          1HB       GLU  65   3.545 -12.648  -5.861
  469   2HB   GLU  65          2HB       GLU  65   5.264 -12.880  -5.552
  470   1HG   GLU  65          1HG       GLU  65   3.291 -14.859  -4.369
  471   2HG   GLU  65          2HG       GLU  65   3.774 -14.964  -6.068
  472    H    ASP  66           H        ASP  66   3.773 -10.344  -5.245
  473    HA   ASP  66           HA       ASP  66   6.093  -8.830  -4.125
  474   1HB   ASP  66          1HB       ASP  66   5.063  -9.185  -6.855
  475   2HB   ASP  66          2HB       ASP  66   5.390  -7.492  -6.417
  476    H    TYR  67           H        TYR  67   2.545  -8.695  -4.522
  477    HA   TYR  67           HA       TYR  67   2.154  -5.996  -3.801
  478   1HB   TYR  67          1HB       TYR  67   0.687  -8.537  -3.727
  479   2HB   TYR  67          2HB       TYR  67   0.220  -7.509  -2.396
  480    HD1  TYR  67           HD1      TYR  67  -1.270  -8.609  -4.977
  481    HD2  TYR  67           HD2      TYR  67   0.223  -4.801  -3.600
  482    HE1  TYR  67           HE1      TYR  67  -2.930  -7.433  -6.392
  483    HE2  TYR  67           HE2      TYR  67  -1.374  -3.644  -5.098
  484    HH   TYR  67           HH       TYR  67  -2.966  -3.900  -6.651
  485    H    LYS  68           H        LYS  68   3.007  -8.788  -1.769
  486    HA   LYS  68           HA       LYS  68   2.713  -7.387   0.742
  487   1HB   LYS  68          1HB       LYS  68   3.685  -9.175   1.830
  488   2HB   LYS  68          2HB       LYS  68   2.739  -9.919   0.537
  489   1HG   LYS  68          1HG       LYS  68   4.849 -10.229  -0.766
  490   2HG   LYS  68          2HG       LYS  68   5.758  -9.441   0.546
  491   1HD   LYS  68          1HD       LYS  68   5.090 -11.158   2.124
  492   2HD   LYS  68          2HD       LYS  68   4.366 -12.085   0.775
  493   1HE   LYS  68          1HE       LYS  68   6.584 -11.974  -0.428
  494   2HE   LYS  68          2HE       LYS  68   7.264 -11.045   0.920
  495   1HZ   LYS  68          1HZ       LYS  68   6.871 -12.907   2.350
  496   2HZ   LYS  68          2HZ       LYS  68   6.272 -13.803   1.097
  497   3HZ   LYS  68          3HZ       LYS  68   7.851 -13.331   1.092
  498    H    ALA  69           H        ALA  69   5.556  -8.227  -1.328
  499    HA   ALA  69           HA       ALA  69   7.542  -6.880   0.077
  500   1HB   ALA  69          1HB       ALA  69   8.068  -8.383  -1.658
  501   2HB   ALA  69          2HB       ALA  69   7.266  -7.376  -2.865
  502   3HB   ALA  69          3HB       ALA  69   8.745  -6.793  -2.068
  503    H    ALA  70           H        ALA  70   5.092  -5.591  -2.075
  504    HA   ALA  70           HA       ALA  70   6.233  -2.952  -2.392
  505   1HB   ALA  70          1HB       ALA  70   4.644  -3.914  -4.003
  506   2HB   ALA  70          2HB       ALA  70   3.351  -3.833  -2.785
  507   3HB   ALA  70          3HB       ALA  70   4.102  -2.346  -3.386
  508    H    ILE  71           H        ILE  71   3.926  -4.317  -0.062
  509    HA   ILE  71           HA       ILE  71   3.517  -1.756   1.371
  510    HB   ILE  71           HB       ILE  71   2.526  -4.590   1.544
  511   1HG1  ILE  71          1HG1      ILE  71   0.861  -2.112   1.663
  512   2HG1  ILE  71          2HG1      ILE  71   1.587  -2.614   0.130
  513   1HG2  ILE  71          1HG2      ILE  71   2.949  -4.217   3.867
  514   2HG2  ILE  71          2HG2      ILE  71   2.289  -2.568   3.785
  515   3HG2  ILE  71          3HG2      ILE  71   1.224  -3.977   3.600
  516   1HD1  ILE  71          1HD1      ILE  71   0.555  -4.827   0.292
  517   2HD1  ILE  71          2HD1      ILE  71  -0.220  -4.381   1.828
  518   3HD1  ILE  71          3HD1      ILE  71  -0.660  -3.543   0.327
  519    H    GLU  72           H        GLU  72   5.132  -4.818   1.930
  520    HA   GLU  72           HA       GLU  72   6.500  -4.428   4.349
  521   1HB   GLU  72          1HB       GLU  72   7.318  -5.932   1.900
  522   2HB   GLU  72          2HB       GLU  72   8.172  -6.030   3.432
  523   1HG   GLU  72          1HG       GLU  72   6.209  -6.967   4.556
  524   2HG   GLU  72          2HG       GLU  72   5.239  -6.823   3.099
  525    H    PHE  73           H        PHE  73   7.497  -3.393   1.057
  526    HA   PHE  73           HA       PHE  73  10.000  -2.360   1.528
  527   1HB   PHE  73          1HB       PHE  73   8.811  -2.316  -0.637
  528   2HB   PHE  73          2HB       PHE  73   7.756  -1.039  -0.051
  529    HD1  PHE  73           HD1      PHE  73  10.988  -1.873  -1.507
  530    HD2  PHE  73           HD2      PHE  73   8.753   1.260   0.448
  531    HE1  PHE  73           HE1      PHE  73  12.621  -0.183  -2.312
  532    HE2  PHE  73           HE2      PHE  73  10.451   2.915  -0.279
  533    HZ   PHE  73           HZ       PHE  73  12.353   2.190  -1.715
  534    H    MET  74           H        MET  74   6.906  -0.779   2.443
  535    HA   MET  74           HA       MET  74   8.270   1.592   3.425
  536   1HB   MET  74          1HB       MET  74   5.443   0.565   3.607
  537   2HB   MET  74          2HB       MET  74   5.950   2.123   4.329
  538   1HG   MET  74          1HG       MET  74   5.068   2.772   2.251
  539   2HG   MET  74          2HG       MET  74   6.789   2.646   1.912
  540   1HE   MET  74          1HE       MET  74   3.191   0.556   1.299
  541   2HE   MET  74          2HE       MET  74   3.406   2.159   0.531
  542   3HE   MET  74          3HE       MET  74   3.476   0.676  -0.426
  543    H    SER  75           H        SER  75   6.128  -0.709   5.159
  544    HA   SER  75           HA       SER  75   8.071  -1.125   7.281
  545   1HB   SER  75          1HB       SER  75   7.106   1.269   7.666
  546   2HB   SER  75          2HB       SER  75   5.639   0.432   8.195
  547    HG   SER  75           HG       SER  75   7.115   0.827   9.927
  548    H    LYS  76           H        LYS  76   6.410  -2.786   5.572
  549    HA   LYS  76           HA       LYS  76   4.791  -4.432   5.607
  550   1HB   LYS  76          1HB       LYS  76   5.374  -6.268   7.032
  551   2HB   LYS  76          2HB       LYS  76   6.810  -5.583   6.292
  552   1HG   LYS  76          1HG       LYS  76   6.069  -4.681   9.069
  553   2HG   LYS  76          2HG       LYS  76   6.742  -6.292   8.845
  554   1HD   LYS  76          1HD       LYS  76   8.772  -5.523   7.932
  555   2HD   LYS  76          2HD       LYS  76   8.138  -3.918   7.576
  556   1HE   LYS  76          1HE       LYS  76   7.866  -3.483  10.035
  557   2HE   LYS  76          2HE       LYS  76   8.609  -5.058  10.371
  558   1HZ   LYS  76          1HZ       LYS  76  10.595  -4.258   9.229
  559   2HZ   LYS  76          2HZ       LYS  76   9.881  -2.803   8.940
  560   3HZ   LYS  76          3HZ       LYS  76  10.211  -3.261  10.483
  561    H    ALA  77           H        ALA  77   3.362  -2.503   6.178
  562    HA   ALA  77           HA       ALA  77   1.456  -3.598   8.165
  563   1HB   ALA  77          1HB       ALA  77   2.983  -1.569   9.050
  564   2HB   ALA  77          2HB       ALA  77   1.719  -0.620   8.233
  565   3HB   ALA  77          3HB       ALA  77   1.278  -1.771   9.464
  566    H    LYS  78           H        LYS  78   1.780  -0.859   5.908
  567    HA   LYS  78           HA       LYS  78  -0.947  -1.423   4.894
  568   1HB   LYS  78          1HB       LYS  78  -1.802   0.578   5.705
  569   2HB   LYS  78          2HB       LYS  78  -0.602   0.227   6.942
  570   1HG   LYS  78          1HG       LYS  78  -0.025   2.377   6.612
  571   2HG   LYS  78          2HG       LYS  78   0.957   1.666   5.354
  572   1HD   LYS  78          1HD       LYS  78  -1.575   2.147   4.122
  573   2HD   LYS  78          2HD       LYS  78  -1.305   3.516   5.185
  574   1HE   LYS  78          1HE       LYS  78  -0.374   4.093   3.067
  575   2HE   LYS  78          2HE       LYS  78   0.957   3.848   4.131
  576   1HZ   LYS  78          1HZ       LYS  78   1.230   1.624   3.034
  577   2HZ   LYS  78          2HZ       LYS  78  -0.144   1.743   2.342
  578   3HZ   LYS  78          3HZ       LYS  78   1.087   2.743   1.811
  579    HHA  HEC  90           HHA      HEC  90  -5.836   4.076   3.299
  580    HHB  HEC  90           HHB      HEC  90  -1.464  -0.038   0.808
  581    HHC  HEC  90           HHC      HEC  90  -1.956   2.987  -4.857
  582    HHD  HEC  90           HHD      HEC  90  -5.592   7.562  -2.068
  583   1HMA  HEC  90          1HMA      HEC  90  -4.214  -1.017   3.006
  584   2HMA  HEC  90          2HMA      HEC  90  -2.566  -1.053   2.362
  585   3HMA  HEC  90          3HMA      HEC  90  -2.838  -0.452   3.997
  586   1HAA  HEC  90          1HAA      HEC  90  -4.829   2.709   5.002
  587   2HAA  HEC  90          2HAA      HEC  90  -4.265   1.055   5.080
  588   1HBA  HEC  90          1HBA      HEC  90  -6.409   0.470   3.708
  589   2HBA  HEC  90          2HBA      HEC  90  -6.994   2.053   4.253
  590   1HMB  HEC  90          1HMB      HEC  90  -0.480  -1.531  -1.476
  591   2HMB  HEC  90          2HMB      HEC  90   0.934  -0.613  -2.009
  592   3HMB  HEC  90          3HMB      HEC  90   0.402  -0.475  -0.359
  593    HAB  HEC  90           HAB      HEC  90  -0.555   1.438  -5.084
  594   1HBB  HEC  90          1HBB      HEC  90  -1.423  -0.876  -4.897
  595   2HBB  HEC  90          2HBB      HEC  90   0.185  -0.767  -5.630
  596   3HBB  HEC  90          3HBB      HEC  90   0.014  -1.324  -3.961
  597   1HMC  HEC  90          1HMC      HEC  90  -3.973   5.094  -6.775
  598   2HMC  HEC  90          2HMC      HEC  90  -2.586   6.153  -6.414
  599   3HMC  HEC  90          3HMC      HEC  90  -2.416   4.402  -6.374
  600    HAC  HEC  90           HAC      HEC  90  -5.712   7.819  -4.126
  601   1HBC  HEC  90          1HBC      HEC  90  -6.056   6.376  -6.143
  602   2HBC  HEC  90          2HBC      HEC  90  -6.107   8.143  -6.349
  603   3HBC  HEC  90          3HBC      HEC  90  -4.670   7.255  -6.863
  604   1HMD  HEC  90          1HMD      HEC  90  -7.841   8.159  -0.148
  605   2HMD  HEC  90          2HMD      HEC  90  -6.949   8.828   1.224
  606   3HMD  HEC  90          3HMD      HEC  90  -6.277   8.936  -0.400
  607   1HAD  HEC  90          1HAD      HEC  90  -7.709   5.518   3.116
  608   2HAD  HEC  90          2HAD      HEC  90  -8.122   7.037   2.353
  609   1HBD  HEC  90          1HBD      HEC  90  -6.256   8.135   3.627
  610   2HBD  HEC  90          2HBD      HEC  90  -5.965   6.568   4.439
  Start of MODEL   26
    1   1H    ALA  -3          1H        ALA  -3   5.689  -6.218 -18.595
    2   2H    ALA  -3          2H        ALA  -3   4.418  -6.366 -19.644
    3   3H    ALA  -3          3H        ALA  -3   5.065  -4.875 -19.291
    4    HA   ALA  -3           HA       ALA  -3   2.947  -5.247 -18.190
    5   1HB   ALA  -3          1HB       ALA  -3   3.364  -7.691 -17.767
    6   2HB   ALA  -3          2HB       ALA  -3   4.568  -7.245 -16.543
    7   3HB   ALA  -3          3HB       ALA  -3   2.856  -6.809 -16.326
    8    H    ASP  -2           H        ASP  -2   3.640  -5.284 -15.216
    9    HA   ASP  -2           HA       ASP  -2   5.734  -3.295 -14.846
   10   1HB   ASP  -2          1HB       ASP  -2   3.740  -1.995 -15.748
   11   2HB   ASP  -2          2HB       ASP  -2   2.809  -2.550 -14.346
   12    H    LEU  -1           H        LEU  -1   5.582  -5.805 -14.030
   13    HA   LEU  -1           HA       LEU  -1   5.414  -5.733 -11.089
   14   1HB   LEU  -1          1HB       LEU  -1   3.245  -6.531 -11.689
   15   2HB   LEU  -1          2HB       LEU  -1   3.894  -7.627 -12.910
   16    HG   LEU  -1           HG       LEU  -1   5.140  -8.262 -10.360
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.162  -7.205  -9.336
   18   2HD1  LEU  -1          2HD1      LEU  -1   2.135  -8.192 -10.397
   19   3HD1  LEU  -1          3HD1      LEU  -1   3.111  -8.971  -9.126
   20   1HD2  LEU  -1          1HD2      LEU  -1   3.029  -9.783 -11.970
   21   2HD2  LEU  -1          2HD2      LEU  -1   4.765  -9.836 -12.313
   22   3HD2  LEU  -1          3HD2      LEU  -1   4.157 -10.467 -10.777
   23    H    GLN   1           H        GLN   1   7.661  -5.507 -11.713
   24    HA   GLN   1           HA       GLN   1   8.916  -8.193 -11.968
   25   1HB   GLN   1          1HB       GLN   1   9.343  -5.976 -13.681
   26   2HB   GLN   1          2HB       GLN   1  10.736  -5.925 -12.605
   27   1HG   GLN   1          1HG       GLN   1   9.810  -8.395 -14.164
   28   2HG   GLN   1          2HG       GLN   1  11.005  -7.243 -14.764
   29   1HE2  GLN   1          1HE2      GLN   1  12.912  -6.814 -13.132
   30   2HE2  GLN   1          2HE2      GLN   1  13.554  -8.297 -12.433
   31    H    ASP   2           H        ASP   2   8.458  -5.551  -9.899
   32    HA   ASP   2           HA       ASP   2  10.145  -6.640  -7.879
   33   1HB   ASP   2          1HB       ASP   2  11.766  -5.323  -9.337
   34   2HB   ASP   2          2HB       ASP   2  10.838  -3.864  -8.969
   35    H    ALA   3           H        ALA   3   9.924  -5.232  -6.030
   36    HA   ALA   3           HA       ALA   3   7.077  -4.609  -5.473
   37   1HB   ALA   3          1HB       ALA   3   8.375  -6.206  -4.130
   38   2HB   ALA   3          2HB       ALA   3   9.565  -4.948  -3.726
   39   3HB   ALA   3          3HB       ALA   3   7.893  -4.783  -3.178
   40    H    GLU   4           H        GLU   4  10.361  -3.143  -5.410
   41    HA   GLU   4           HA       GLU   4   9.567  -0.622  -4.267
   42   1HB   GLU   4          1HB       GLU   4  11.878  -1.145  -4.309
   43   2HB   GLU   4          2HB       GLU   4  11.904  -1.371  -6.061
   44   1HG   GLU   4          1HG       GLU   4  11.541   1.000  -6.450
   45   2HG   GLU   4          2HG       GLU   4  11.114   1.286  -4.759
   46    H    ALA   5           H        ALA   5   9.852  -1.829  -7.592
   47    HA   ALA   5           HA       ALA   5   9.154   0.652  -8.864
   48   1HB   ALA   5          1HB       ALA   5  10.416  -1.119  -9.991
   49   2HB   ALA   5          2HB       ALA   5   9.000  -2.197  -9.917
   50   3HB   ALA   5          3HB       ALA   5   8.940  -0.707 -10.891
   51    H    ILE   6           H        ILE   6   7.217  -2.157  -7.754
   52    HA   ILE   6           HA       ILE   6   4.741  -1.268  -8.912
   53    HB   ILE   6           HB       ILE   6   5.582  -3.079  -6.666
   54   1HG1  ILE   6          1HG1      ILE   6   3.820  -3.535  -9.128
   55   2HG1  ILE   6          2HG1      ILE   6   5.577  -3.710  -9.109
   56   1HG2  ILE   6          1HG2      ILE   6   3.632  -2.129  -5.617
   57   2HG2  ILE   6          2HG2      ILE   6   2.734  -2.129  -7.141
   58   3HG2  ILE   6          3HG2      ILE   6   3.108  -3.652  -6.305
   59   1HD1  ILE   6          1HD1      ILE   6   5.197  -5.290  -7.077
   60   2HD1  ILE   6          2HD1      ILE   6   3.526  -5.405  -7.674
   61   3HD1  ILE   6          3HD1      ILE   6   4.884  -5.889  -8.715
   62    H    TYR   7           H        TYR   7   6.078  -0.707  -5.515
   63    HA   TYR   7           HA       TYR   7   3.776   0.964  -5.073
   64   1HB   TYR   7          1HB       TYR   7   4.403   1.310  -2.949
   65   2HB   TYR   7          2HB       TYR   7   5.304  -0.155  -3.275
   66    HD1  TYR   7           HD1      TYR   7   7.711  -0.097  -3.141
   67    HD2  TYR   7           HD2      TYR   7   5.451   3.560  -2.936
   68    HE1  TYR   7           HE1      TYR   7   9.818   1.209  -2.850
   69    HE2  TYR   7           HE2      TYR   7   7.540   4.838  -2.553
   70    HH   TYR   7           HH       TYR   7   9.825   4.742  -2.489
   71    H    ASN   8           H        ASN   8   7.029   1.693  -6.172
   72    HA   ASN   8           HA       ASN   8   6.799   4.524  -6.140
   73   1HB   ASN   8          1HB       ASN   8   8.894   3.150  -6.076
   74   2HB   ASN   8          2HB       ASN   8   8.604   2.692  -7.767
   75   1HD2  ASN   8          1HD2      ASN   8  10.513   3.595  -8.559
   76   2HD2  ASN   8          2HD2      ASN   8  10.821   5.325  -8.493
   77    H    LYS   9           H        LYS   9   5.721   2.153  -8.529
   78    HA   LYS   9           HA       LYS   9   4.965   4.345 -10.367
   79   1HB   LYS   9          1HB       LYS   9   6.009   2.071 -11.071
   80   2HB   LYS   9          2HB       LYS   9   4.398   1.419 -10.766
   81   1HG   LYS   9          1HG       LYS   9   4.103   1.924 -12.948
   82   2HG   LYS   9          2HG       LYS   9   3.730   3.539 -12.369
   83   1HD   LYS   9          1HD       LYS   9   6.407   2.486 -13.415
   84   2HD   LYS   9          2HD       LYS   9   5.283   3.549 -14.268
   85   1HE   LYS   9          1HE       LYS   9   5.636   5.213 -12.276
   86   2HE   LYS   9          2HE       LYS   9   7.028   4.199 -11.847
   87   1HZ   LYS   9          1HZ       LYS   9   7.855   4.635 -14.111
   88   2HZ   LYS   9          2HZ       LYS   9   6.572   5.627 -14.388
   89   3HZ   LYS   9          3HZ       LYS   9   7.678   6.022 -13.238
   90    H    ALA  10           H        ALA  10   3.478   2.346  -7.915
   91    HA   ALA  10           HA       ALA  10   0.731   3.083  -8.892
   92   1HB   ALA  10          1HB       ALA  10   1.257   0.668  -8.850
   93   2HB   ALA  10          2HB       ALA  10   1.487   0.763  -7.091
   94   3HB   ALA  10          3HB       ALA  10  -0.093   1.128  -7.797
   95    H    CYS  11           H        CYS  11   2.231   2.345  -5.676
   96    HA   CYS  11           HA       CYS  11   0.308   4.063  -4.309
   97   1HB   CYS  11          1HB       CYS  11   2.683   3.060  -2.871
   98   2HB   CYS  11          2HB       CYS  11   0.995   3.090  -2.385
   99    H    THR  12           H        THR  12   1.577   5.565  -6.173
  100    HA   THR  12           HA       THR  12   3.628   7.246  -4.786
  101    HB   THR  12           HB       THR  12   4.444   5.571  -6.556
  102    HG1  THR  12           HG1      THR  12   4.769   8.317  -7.039
  103   1HG2  THR  12          1HG2      THR  12   2.515   5.884  -8.154
  104   2HG2  THR  12          2HG2      THR  12   3.060   7.544  -8.465
  105   3HG2  THR  12          3HG2      THR  12   4.081   6.194  -8.915
  106    H    VAL  13           H        VAL  13   0.615   7.345  -6.049
  107    HA   VAL  13           HA       VAL  13   0.877  10.028  -7.291
  108    HB   VAL  13           HB       VAL  13  -1.505   8.125  -7.045
  109   1HG1  VAL  13          1HG1      VAL  13  -2.087  10.474  -7.441
  110   2HG1  VAL  13          2HG1      VAL  13  -0.902  10.547  -8.767
  111   3HG1  VAL  13          3HG1      VAL  13  -2.356   9.522  -8.917
  112   1HG2  VAL  13          1HG2      VAL  13   0.499   8.460  -9.317
  113   2HG2  VAL  13          2HG2      VAL  13   0.229   6.991  -8.353
  114   3HG2  VAL  13          3HG2      VAL  13  -1.038   7.577  -9.429
  115    H    CYS  14           H        CYS  14  -0.792   8.276  -4.746
  116    HA   CYS  14           HA       CYS  14  -1.947  10.704  -3.558
  117   1HB   CYS  14          1HB       CYS  14  -2.417   7.781  -3.008
  118   2HB   CYS  14          2HB       CYS  14  -3.500   9.143  -2.623
  119    H    HIS  15           H        HIS  15  -0.185   7.762  -2.508
  120    HA   HIS  15           HA       HIS  15   0.125   8.585   0.240
  121   1HB   HIS  15          1HB       HIS  15   1.302   6.400  -1.536
  122   2HB   HIS  15          2HB       HIS  15   1.777   6.586   0.143
  123    HD1  HIS  15           HD1      HIS  15   0.615   5.142   1.705
  124    HD2  HIS  15           HD2      HIS  15  -1.576   5.976  -1.761
  125    HE1  HIS  15           HE1      HIS  15  -1.334   3.511   1.709
  126    H    SER  16           H        SER  16   1.919   9.472  -2.521
  127    HA   SER  16           HA       SER  16   4.554   9.579  -1.291
  128   1HB   SER  16          1HB       SER  16   4.033   9.320  -3.751
  129   2HB   SER  16          2HB       SER  16   3.657  11.053  -3.799
  130    HG   SER  16           HG       SER  16   5.919  10.361  -4.254
  131    H    MET  17           H        MET  17   1.964  11.902  -1.966
  132    HA   MET  17           HA       MET  17   3.289  13.959  -0.253
  133   1HB   MET  17          1HB       MET  17   2.724  14.298  -2.820
  134   2HB   MET  17          2HB       MET  17   1.088  14.577  -2.212
  135   1HG   MET  17          1HG       MET  17   2.038  16.739  -2.194
  136   2HG   MET  17          2HG       MET  17   2.250  16.216  -0.527
  137   1HE   MET  17          1HE       MET  17   4.161  15.768  -3.980
  138   2HE   MET  17          2HE       MET  17   3.889  17.513  -3.733
  139   3HE   MET  17          3HE       MET  17   5.539  16.852  -3.674
  140    H    GLY  18           H        GLY  18   0.230  12.211  -0.821
  141   1HA   GLY  18          1HA       GLY  18  -1.424  11.749   0.709
  142   2HA   GLY  18          2HA       GLY  18  -0.792  12.936   1.834
  143    H    VAL  19           H        VAL  19  -2.198  12.883  -1.488
  144    HA   VAL  19           HA       VAL  19  -3.463  15.497  -1.081
  145    HB   VAL  19           HB       VAL  19  -3.613  13.562  -3.433
  146   1HG1  VAL  19          1HG1      VAL  19  -5.562  15.066  -3.483
  147   2HG1  VAL  19          2HG1      VAL  19  -4.514  16.471  -3.197
  148   3HG1  VAL  19          3HG1      VAL  19  -4.402  15.559  -4.714
  149   1HG2  VAL  19          1HG2      VAL  19  -1.957  16.089  -3.005
  150   2HG2  VAL  19          2HG2      VAL  19  -1.327  14.428  -3.067
  151   3HG2  VAL  19          3HG2      VAL  19  -2.044  15.154  -4.512
  152    H    ALA  20           H        ALA  20  -4.865  12.348  -1.814
  153    HA   ALA  20           HA       ALA  20  -7.559  13.307  -1.058
  154   1HB   ALA  20          1HB       ALA  20  -7.206  11.881  -3.000
  155   2HB   ALA  20          2HB       ALA  20  -6.474  10.628  -1.975
  156   3HB   ALA  20          3HB       ALA  20  -8.204  11.033  -1.790
  157    H    GLY  21           H        GLY  21  -5.461  13.318   0.941
  158   1HA   GLY  21          1HA       GLY  21  -5.264  12.875   3.226
  159   2HA   GLY  21          2HA       GLY  21  -6.727  11.883   3.163
  160    H    ALA  22           H        ALA  22  -4.513  10.853   0.784
  161    HA   ALA  22           HA       ALA  22  -4.290   8.319   1.827
  162   1HB   ALA  22          1HB       ALA  22  -3.964   8.763  -0.513
  163   2HB   ALA  22          2HB       ALA  22  -2.521   9.728  -0.174
  164   3HB   ALA  22          3HB       ALA  22  -2.505   7.970   0.091
  165    HA   PRO  23           HA       PRO  23  -1.266   8.640   5.131
  166   1HB   PRO  23          1HB       PRO  23  -0.638   6.127   5.457
  167   2HB   PRO  23          2HB       PRO  23  -2.297   6.741   5.804
  168   1HG   PRO  23          1HG       PRO  23  -1.318   5.281   3.365
  169   2HG   PRO  23          2HG       PRO  23  -2.790   4.900   4.311
  170   1HD   PRO  23          1HD       PRO  23  -2.929   6.418   2.071
  171   2HD   PRO  23          2HD       PRO  23  -3.921   6.805   3.512
  172    H    LYS  24           H        LYS  24   0.921   8.529   5.537
  173    HA   LYS  24           HA       LYS  24   2.315   9.318   3.110
  174   1HB   LYS  24          1HB       LYS  24   2.262  10.194   5.613
  175   2HB   LYS  24          2HB       LYS  24   3.744   9.235   5.746
  176   1HG   LYS  24          1HG       LYS  24   3.278  11.417   3.646
  177   2HG   LYS  24          2HG       LYS  24   3.745  11.746   5.311
  178   1HD   LYS  24          1HD       LYS  24   5.725  10.008   4.762
  179   2HD   LYS  24          2HD       LYS  24   5.397  10.565   3.112
  180   1HE   LYS  24          1HE       LYS  24   5.404  12.980   4.377
  181   2HE   LYS  24          2HE       LYS  24   6.340  12.083   5.583
  182   1HZ   LYS  24          1HZ       LYS  24   7.968  11.610   3.926
  183   2HZ   LYS  24          2HZ       LYS  24   7.032  12.287   2.726
  184   3HZ   LYS  24          3HZ       LYS  24   7.677  13.226   3.906
  185    H    SER  25           H        SER  25   3.812   8.260   1.965
  186    HA   SER  25           HA       SER  25   4.371   5.640   1.877
  187   1HB   SER  25          1HB       SER  25   6.413   6.129   0.670
  188   2HB   SER  25          2HB       SER  25   5.160   7.315   0.265
  189    HG   SER  25           HG       SER  25   7.010   8.468   0.659
  190    H    HIS  26           H        HIS  26   6.133   7.813   4.039
  191    HA   HIS  26           HA       HIS  26   6.996   5.509   5.704
  192   1HB   HIS  26          1HB       HIS  26   9.129   6.744   6.165
  193   2HB   HIS  26          2HB       HIS  26   8.979   6.063   4.545
  194    HD1  HIS  26           HD1      HIS  26   8.388   7.844   2.537
  195    HD2  HIS  26           HD2      HIS  26   9.324   9.469   6.297
  196    HE1  HIS  26           HE1      HIS  26   8.957  10.285   2.140
  197    H    ASN  27           H        ASN  27   5.848   5.730   7.499
  198    HA   ASN  27           HA       ASN  27   6.051   8.156   9.133
  199   1HB   ASN  27          1HB       ASN  27   3.565   7.209   7.739
  200   2HB   ASN  27          2HB       ASN  27   3.414   7.340   9.502
  201   1HD2  ASN  27          1HD2      ASN  27   1.782   8.821   7.690
  202   2HD2  ASN  27          2HD2      ASN  27   2.252  10.492   7.973
  203    H    THR  28           H        THR  28   5.543   7.585  11.423
  204    HA   THR  28           HA       THR  28   5.575   4.597  11.932
  205    HB   THR  28           HB       THR  28   6.320   6.945  13.707
  206    HG1  THR  28           HG1      THR  28   8.230   5.141  13.244
  207   1HG2  THR  28          1HG2      THR  28   5.453   5.130  15.110
  208   2HG2  THR  28          2HG2      THR  28   6.432   3.939  14.227
  209   3HG2  THR  28          3HG2      THR  28   7.213   5.185  15.227
  210    H    ALA  29           H        ALA  29   3.878   7.642  12.846
  211    HA   ALA  29           HA       ALA  29   2.021   6.266  14.575
  212   1HB   ALA  29          1HB       ALA  29   2.716   8.579  14.911
  213   2HB   ALA  29          2HB       ALA  29   1.934   9.051  13.378
  214   3HB   ALA  29          3HB       ALA  29   0.952   8.444  14.735
  215    H    ASP  30           H        ASP  30   2.051   6.989  11.199
  216    HA   ASP  30           HA       ASP  30  -0.799   6.708  10.675
  217   1HB   ASP  30          1HB       ASP  30   1.026   8.115   9.511
  218   2HB   ASP  30          2HB       ASP  30   1.540   6.592   8.716
  219    H    TRP  31           H        TRP  31   2.154   4.771  10.556
  220    HA   TRP  31           HA       TRP  31   0.903   2.346   9.467
  221   1HB   TRP  31          1HB       TRP  31   3.705   3.075  10.279
  222   2HB   TRP  31          2HB       TRP  31   3.238   1.467   9.697
  223    HD1  TRP  31           HD1      TRP  31   3.349   5.104   8.460
  224    HE1  TRP  31           HE1      TRP  31   3.494   5.245   5.919
  225    HE3  TRP  31           HE3      TRP  31   3.318   0.100   7.432
  226    HZ2  TRP  31           HZ2      TRP  31   3.490   3.433   3.733
  227    HZ3  TRP  31           HZ3      TRP  31   3.260  -0.636   5.019
  228    HH2  TRP  31           HH2      TRP  31   3.223   1.004   3.239
  229    H    GLU  32           H        GLU  32   1.975   3.452  12.749
  230    HA   GLU  32           HA       GLU  32   1.755   1.163  14.206
  231   1HB   GLU  32          1HB       GLU  32   1.087   4.025  14.717
  232   2HB   GLU  32          2HB       GLU  32   0.420   2.859  15.865
  233   1HG   GLU  32          1HG       GLU  32   2.614   1.920  16.323
  234   2HG   GLU  32          2HG       GLU  32   3.366   2.989  15.127
  235    HA   PRO  33           HA       PRO  33  -2.989   0.993  14.626
  236   1HB   PRO  33          1HB       PRO  33  -4.655   2.554  13.100
  237   2HB   PRO  33          2HB       PRO  33  -3.900   3.135  14.611
  238   1HG   PRO  33          1HG       PRO  33  -2.870   3.545  11.783
  239   2HG   PRO  33          2HG       PRO  33  -3.164   4.799  13.025
  240   1HD   PRO  33          1HD       PRO  33  -0.715   3.785  12.676
  241   2HD   PRO  33          2HD       PRO  33  -1.324   4.051  14.333
  242    H    ARG  34           H        ARG  34  -1.231   0.832  11.733
  243    HA   ARG  34           HA       ARG  34  -3.199  -0.969  10.414
  244   1HB   ARG  34          1HB       ARG  34  -0.511   0.017   9.456
  245   2HB   ARG  34          2HB       ARG  34  -1.720  -0.820   8.495
  246   1HG   ARG  34          1HG       ARG  34  -2.397   1.890   9.766
  247   2HG   ARG  34          2HG       ARG  34  -1.319   1.777   8.405
  248   1HD   ARG  34          1HD       ARG  34  -3.023   1.798   7.028
  249   2HD   ARG  34          2HD       ARG  34  -3.517   0.214   7.568
  250    HE   ARG  34           HE       ARG  34  -4.859   2.725   7.952
  251   1HH1  ARG  34          2HH1      ARG  34  -4.640  -0.469   9.301
  252   2HH1  ARG  34          1HH1      ARG  34  -7.421   1.561   9.793
  253   1HH2  ARG  34          1HH2      ARG  34  -6.841   2.673   8.585
  254   2HH2  ARG  34          2HH2      ARG  34  -6.209  -0.362  10.057
  255    H    LEU  35           H        LEU  35   0.123  -0.860  11.694
  256    HA   LEU  35           HA       LEU  35   0.539  -3.719  11.753
  257   1HB   LEU  35          1HB       LEU  35   1.935  -1.228  12.493
  258   2HB   LEU  35          2HB       LEU  35   2.182  -2.410  13.731
  259    HG   LEU  35           HG       LEU  35   2.534  -3.603  11.052
  260   1HD1  LEU  35          1HD1      LEU  35   3.208  -1.208  10.642
  261   2HD1  LEU  35          2HD1      LEU  35   4.449  -1.398  11.898
  262   3HD1  LEU  35          3HD1      LEU  35   4.498  -2.386  10.419
  263   1HD2  LEU  35          1HD2      LEU  35   4.449  -3.365  13.391
  264   2HD2  LEU  35          2HD2      LEU  35   3.171  -4.595  13.269
  265   3HD2  LEU  35          3HD2      LEU  35   4.466  -4.558  12.073
  266    H    ALA  36           H        ALA  36  -1.970  -2.728  13.161
  267    HA   ALA  36           HA       ALA  36  -1.461  -3.483  15.996
  268   1HB   ALA  36          1HB       ALA  36  -2.764  -1.454  15.561
  269   2HB   ALA  36          2HB       ALA  36  -3.933  -2.383  14.597
  270   3HB   ALA  36          3HB       ALA  36  -3.760  -2.697  16.343
  271    H    LYS  37           H        LYS  37  -2.755  -4.677  12.994
  272    HA   LYS  37           HA       LYS  37  -3.769  -7.131  14.332
  273   1HB   LYS  37          1HB       LYS  37  -4.413  -5.864  11.646
  274   2HB   LYS  37          2HB       LYS  37  -4.630  -7.595  11.935
  275   1HG   LYS  37          1HG       LYS  37  -6.734  -6.679  12.375
  276   2HG   LYS  37          2HG       LYS  37  -6.025  -7.101  13.926
  277   1HD   LYS  37          1HD       LYS  37  -5.253  -4.463  13.750
  278   2HD   LYS  37          2HD       LYS  37  -6.691  -4.408  12.745
  279   1HE   LYS  37          1HE       LYS  37  -8.057  -5.272  14.599
  280   2HE   LYS  37          2HE       LYS  37  -6.610  -5.614  15.565
  281   1HZ   LYS  37          1HZ       LYS  37  -6.147  -3.291  15.684
  282   2HZ   LYS  37          2HZ       LYS  37  -7.457  -2.910  14.765
  283   3HZ   LYS  37          3HZ       LYS  37  -7.658  -3.578  16.258
  284    H    GLY  38           H        GLY  38  -1.741  -6.016  11.607
  285   1HA   GLY  38          1HA       GLY  38   0.606  -7.102  12.089
  286   2HA   GLY  38          2HA       GLY  38  -0.235  -8.578  11.590
  287    H    VAL  39           H        VAL  39   0.092  -9.060   9.528
  288    HA   VAL  39           HA       VAL  39   0.201  -6.948   7.441
  289    HB   VAL  39           HB       VAL  39   1.642  -8.988   6.298
  290   1HG1  VAL  39          1HG1      VAL  39   2.074  -6.614   6.295
  291   2HG1  VAL  39          2HG1      VAL  39   2.669  -6.695   7.971
  292   3HG1  VAL  39          3HG1      VAL  39   3.564  -7.520   6.661
  293   1HG2  VAL  39          1HG2      VAL  39   2.658  -8.968   9.165
  294   2HG2  VAL  39          2HG2      VAL  39   1.768 -10.314   8.406
  295   3HG2  VAL  39          3HG2      VAL  39   3.342  -9.812   7.766
  296    H    ASP  40           H        ASP  40  -0.002  -8.159   5.256
  297    HA   ASP  40           HA       ASP  40  -1.465  -8.878   3.790
  298   1HB   ASP  40          1HB       ASP  40  -2.439 -10.872   5.867
  299   2HB   ASP  40          2HB       ASP  40  -2.645 -10.950   4.115
  300    H    ASN  41           H        ASN  41  -3.053  -8.341   6.931
  301    HA   ASN  41           HA       ASN  41  -5.706  -8.027   6.211
  302   1HB   ASN  41          1HB       ASN  41  -4.637  -5.827   7.971
  303   2HB   ASN  41          2HB       ASN  41  -6.089  -6.781   8.124
  304   1HD2  ASN  41          1HD2      ASN  41  -2.768  -6.434   9.086
  305   2HD2  ASN  41          2HD2      ASN  41  -2.753  -7.875  10.088
  306    H    LEU  42           H        LEU  42  -3.118  -5.776   5.598
  307    HA   LEU  42           HA       LEU  42  -4.778  -3.614   4.511
  308   1HB   LEU  42          1HB       LEU  42  -1.809  -4.153   4.682
  309   2HB   LEU  42          2HB       LEU  42  -2.522  -2.648   4.155
  310    HG   LEU  42           HG       LEU  42  -2.008  -2.111   6.334
  311   1HD1  LEU  42          1HD1      LEU  42  -4.421  -1.706   6.060
  312   2HD1  LEU  42          2HD1      LEU  42  -4.769  -3.290   6.790
  313   3HD1  LEU  42          3HD1      LEU  42  -3.966  -2.046   7.743
  314   1HD2  LEU  42          1HD2      LEU  42  -2.822  -4.804   7.444
  315   2HD2  LEU  42          2HD2      LEU  42  -1.180  -4.397   6.970
  316   3HD2  LEU  42          3HD2      LEU  42  -1.977  -3.493   8.262
  317    H    VAL  43           H        VAL  43  -2.614  -6.181   3.219
  318    HA   VAL  43           HA       VAL  43  -2.693  -5.224   0.508
  319    HB   VAL  43           HB       VAL  43  -1.096  -6.958   1.738
  320   1HG1  VAL  43          1HG1      VAL  43  -2.903  -8.753   1.877
  321   2HG1  VAL  43          2HG1      VAL  43  -2.861  -8.833   0.113
  322   3HG1  VAL  43          3HG1      VAL  43  -1.416  -9.227   1.068
  323   1HG2  VAL  43          1HG2      VAL  43  -1.765  -7.079  -1.234
  324   2HG2  VAL  43          2HG2      VAL  43  -0.633  -5.953  -0.454
  325   3HG2  VAL  43          3HG2      VAL  43  -0.280  -7.684  -0.483
  326    H    LYS  44           H        LYS  44  -4.747  -7.248   2.525
  327    HA   LYS  44           HA       LYS  44  -6.593  -8.097   0.530
  328   1HB   LYS  44          1HB       LYS  44  -7.135  -7.543   3.443
  329   2HB   LYS  44          2HB       LYS  44  -8.179  -8.451   2.356
  330   1HG   LYS  44          1HG       LYS  44  -5.378  -9.261   3.222
  331   2HG   LYS  44          2HG       LYS  44  -6.863  -9.862   3.884
  332   1HD   LYS  44          1HD       LYS  44  -6.899 -11.486   2.403
  333   2HD   LYS  44          2HD       LYS  44  -7.071 -10.329   1.093
  334   1HE   LYS  44          1HE       LYS  44  -4.889 -10.575   0.399
  335   2HE   LYS  44          2HE       LYS  44  -4.243 -10.621   2.035
  336   1HZ   LYS  44          1HZ       LYS  44  -4.830 -12.864   2.261
  337   2HZ   LYS  44          2HZ       LYS  44  -5.557 -12.926   0.787
  338   3HZ   LYS  44          3HZ       LYS  44  -3.933 -12.684   0.899
  339    H    SER  45           H        SER  45  -6.618  -5.082   2.556
  340    HA   SER  45           HA       SER  45  -9.083  -4.081   1.466
  341   1HB   SER  45          1HB       SER  45  -6.740  -2.628   2.763
  342   2HB   SER  45          2HB       SER  45  -8.350  -1.944   2.444
  343    HG   SER  45           HG       SER  45  -8.147  -2.799   4.602
  344    H    VAL  46           H        VAL  46  -5.658  -3.889   0.555
  345    HA   VAL  46           HA       VAL  46  -5.930  -1.923  -1.422
  346    HB   VAL  46           HB       VAL  46  -3.954  -4.101  -0.863
  347   1HG1  VAL  46          1HG1      VAL  46  -3.753  -3.980  -3.209
  348   2HG1  VAL  46          2HG1      VAL  46  -3.820  -2.196  -3.203
  349   3HG1  VAL  46          3HG1      VAL  46  -2.415  -3.045  -2.517
  350   1HG2  VAL  46          1HG2      VAL  46  -3.466  -1.142  -0.904
  351   2HG2  VAL  46          2HG2      VAL  46  -4.122  -1.962   0.536
  352   3HG2  VAL  46          3HG2      VAL  46  -2.529  -2.415  -0.095
  353    H    LYS  47           H        LYS  47  -5.836  -5.504  -1.778
  354    HA   LYS  47           HA       LYS  47  -6.430  -5.581  -4.535
  355   1HB   LYS  47          1HB       LYS  47  -6.443  -7.772  -4.398
  356   2HB   LYS  47          2HB       LYS  47  -5.662  -7.328  -2.869
  357   1HG   LYS  47          1HG       LYS  47  -8.197  -7.473  -1.989
  358   2HG   LYS  47          2HG       LYS  47  -8.411  -8.523  -3.376
  359   1HD   LYS  47          1HD       LYS  47  -6.101  -8.794  -1.398
  360   2HD   LYS  47          2HD       LYS  47  -7.730  -9.396  -1.028
  361   1HE   LYS  47          1HE       LYS  47  -6.681 -11.328  -1.782
  362   2HE   LYS  47          2HE       LYS  47  -7.576 -10.780  -3.198
  363   1HZ   LYS  47          1HZ       LYS  47  -5.463  -9.785  -3.975
  364   2HZ   LYS  47          2HZ       LYS  47  -4.653 -10.430  -2.694
  365   3HZ   LYS  47          3HZ       LYS  47  -5.337 -11.411  -3.796
  366    H    THR  48           H        THR  48  -8.639  -5.336  -1.788
  367    HA   THR  48           HA       THR  48 -11.065  -5.482  -3.324
  368    HB   THR  48           HB       THR  48 -10.432  -4.333  -0.583
  369    HG1  THR  48           HG1      THR  48 -11.405  -6.331   0.007
  370   1HG2  THR  48          1HG2      THR  48 -12.533  -3.304  -1.283
  371   2HG2  THR  48          2HG2      THR  48 -13.139  -4.866  -1.875
  372   3HG2  THR  48          3HG2      THR  48 -12.879  -4.599  -0.137
  373    H    GLY  49           H        GLY  49  -9.052  -2.633  -2.335
  374   1HA   GLY  49          1HA       GLY  49  -9.164  -0.487  -3.243
  375   2HA   GLY  49          2HA       GLY  49 -10.667  -0.848  -4.098
  376    H    LEU  50           H        LEU  50  -9.424   0.788  -1.563
  377    HA   LEU  50           HA       LEU  50 -11.747   0.790   0.219
  378   1HB   LEU  50          1HB       LEU  50  -9.248   1.336   0.710
  379   2HB   LEU  50          2HB       LEU  50  -9.593   2.903   0.021
  380    HG   LEU  50           HG       LEU  50 -11.683   2.470   1.914
  381   1HD1  LEU  50          1HD1      LEU  50 -10.502   0.491   2.757
  382   2HD1  LEU  50          2HD1      LEU  50  -9.056   1.479   3.069
  383   3HD1  LEU  50          3HD1      LEU  50 -10.557   1.791   3.962
  384   1HD2  LEU  50          1HD2      LEU  50  -9.012   3.892   2.302
  385   2HD2  LEU  50          2HD2      LEU  50 -10.439   4.604   1.523
  386   3HD2  LEU  50          3HD2      LEU  50 -10.489   4.182   3.245
  387    H    ASN  51           H        ASN  51 -12.211   3.613   0.478
  388    HA   ASN  51           HA       ASN  51 -14.224   3.847  -1.536
  389   1HB   ASN  51          1HB       ASN  51 -13.347   6.137   0.278
  390   2HB   ASN  51          2HB       ASN  51 -14.931   5.806  -0.405
  391   1HD2  ASN  51          1HD2      ASN  51 -12.614   5.131   2.135
  392   2HD2  ASN  51          2HD2      ASN  51 -13.537   3.884   2.939
  393    H    ALA  52           H        ALA  52 -11.617   6.111  -0.794
  394    HA   ALA  52           HA       ALA  52 -11.557   7.374  -3.418
  395   1HB   ALA  52          1HB       ALA  52 -11.037   8.609  -1.372
  396   2HB   ALA  52          2HB       ALA  52  -9.714   7.488  -0.998
  397   3HB   ALA  52          3HB       ALA  52  -9.601   8.560  -2.415
  398    H    MET  53           H        MET  53 -10.215   4.453  -2.168
  399    HA   MET  53           HA       MET  53  -7.833   4.591  -3.925
  400   1HB   MET  53          1HB       MET  53  -7.819   4.081  -1.444
  401   2HB   MET  53          2HB       MET  53  -8.457   2.483  -1.864
  402   1HG   MET  53          1HG       MET  53  -6.443   2.020  -3.212
  403   2HG   MET  53          2HG       MET  53  -5.930   3.693  -2.986
  404   1HE   MET  53          1HE       MET  53  -6.673   0.298  -1.090
  405   2HE   MET  53          2HE       MET  53  -5.133   0.323  -1.999
  406   3HE   MET  53          3HE       MET  53  -5.129   0.233  -0.218
  407    HA   PRO  54           HA       PRO  54 -10.231   2.094  -6.735
  408   1HB   PRO  54          1HB       PRO  54  -8.368   1.542  -8.705
  409   2HB   PRO  54          2HB       PRO  54  -9.122   3.144  -8.459
  410   1HG   PRO  54          1HG       PRO  54  -6.461   2.176  -7.386
  411   2HG   PRO  54          2HG       PRO  54  -6.785   3.686  -8.290
  412   1HD   PRO  54          1HD       PRO  54  -6.648   3.653  -5.593
  413   2HD   PRO  54          2HD       PRO  54  -7.897   4.653  -6.405
  414    HA   PRO  55           HA       PRO  55  -9.664  -2.127  -5.554
  415   1HB   PRO  55          1HB       PRO  55 -10.491  -3.557  -7.741
  416   2HB   PRO  55          2HB       PRO  55 -11.595  -2.649  -6.669
  417   1HG   PRO  55          1HG       PRO  55 -10.398  -1.708  -9.288
  418   2HG   PRO  55          2HG       PRO  55 -12.117  -1.661  -8.791
  419   1HD   PRO  55          1HD       PRO  55 -10.562   0.517  -8.545
  420   2HD   PRO  55          2HD       PRO  55 -11.692   0.096  -7.225
  421    H    GLY  56           H        GLY  56  -7.865  -3.414  -5.312
  422   1HA   GLY  56          1HA       GLY  56  -5.732  -4.145  -5.755
  423   2HA   GLY  56          2HA       GLY  56  -6.106  -4.018  -7.462
  424    H    GLY  57           H        GLY  57  -6.312  -1.216  -5.295
  425   1HA   GLY  57          1HA       GLY  57  -5.034   0.673  -5.044
  426   2HA   GLY  57          2HA       GLY  57  -3.726  -0.487  -4.818
  427    H    MET  58           H        MET  58  -5.335  -0.063  -7.898
  428    HA   MET  58           HA       MET  58  -4.684   0.500  -9.941
  429   1HB   MET  58          1HB       MET  58  -4.249   2.772  -8.627
  430   2HB   MET  58          2HB       MET  58  -2.559   2.419  -9.013
  431   1HG   MET  58          1HG       MET  58  -3.505   2.011 -11.457
  432   2HG   MET  58          2HG       MET  58  -4.920   2.884 -10.852
  433   1HE   MET  58          1HE       MET  58  -3.672   3.719 -13.401
  434   2HE   MET  58          2HE       MET  58  -4.872   4.776 -12.613
  435   3HE   MET  58          3HE       MET  58  -3.349   5.462 -13.227
  436    H    CYS  59           H        CYS  59  -3.455  -1.739  -8.750
  437    HA   CYS  59           HA       CYS  59  -0.872  -1.997 -10.243
  438   1HB   CYS  59          1HB       CYS  59  -0.880  -1.917  -7.678
  439   2HB   CYS  59          2HB       CYS  59  -1.616  -3.513  -7.731
  440    H    THR  60           H        THR  60  -2.491  -2.404 -11.910
  441    HA   THR  60           HA       THR  60  -4.163  -3.722 -12.955
  442    HB   THR  60           HB       THR  60  -2.889  -5.074 -14.550
  443    HG1  THR  60           HG1      THR  60  -0.475  -4.439 -13.332
  444   1HG2  THR  60          1HG2      THR  60  -2.916  -2.598 -14.777
  445   2HG2  THR  60          2HG2      THR  60  -1.426  -2.489 -13.815
  446   3HG2  THR  60          3HG2      THR  60  -1.410  -3.314 -15.382
  447    H    ASP  61           H        ASP  61  -2.114  -6.492 -12.613
  448    HA   ASP  61           HA       ASP  61  -4.131  -7.886 -10.905
  449   1HB   ASP  61          1HB       ASP  61  -4.351  -8.445 -13.391
  450   2HB   ASP  61          2HB       ASP  61  -2.764  -9.224 -13.274
  451    H    CYS  62           H        CYS  62  -2.174  -6.651  -9.708
  452    HA   CYS  62           HA       CYS  62   0.275  -8.137  -9.512
  453   1HB   CYS  62          1HB       CYS  62  -0.987  -6.024  -7.790
  454   2HB   CYS  62          2HB       CYS  62   0.633  -6.677  -7.483
  455    H    THR  63           H        THR  63   1.048  -9.656  -8.236
  456    HA   THR  63           HA       THR  63  -0.935 -11.248  -6.683
  457    HB   THR  63           HB       THR  63  -0.052 -12.620  -8.343
  458    HG1  THR  63           HG1      THR  63   1.408 -13.981  -7.087
  459   1HG2  THR  63          1HG2      THR  63   1.771 -11.353  -9.278
  460   2HG2  THR  63          2HG2      THR  63   2.695 -11.431  -7.764
  461   3HG2  THR  63          3HG2      THR  63   2.430 -12.896  -8.731
  462    H    ASP  64           H        ASP  64  -0.589 -11.766  -4.594
  463    HA   ASP  64           HA       ASP  64   0.622 -10.181  -2.740
  464   1HB   ASP  64          1HB       ASP  64  -0.193 -13.090  -2.830
  465   2HB   ASP  64          2HB       ASP  64   0.508 -12.352  -1.395
  466    H    GLU  65           H        GLU  65   2.226 -12.821  -4.473
  467    HA   GLU  65           HA       GLU  65   4.752 -13.024  -3.401
  468   1HB   GLU  65          1HB       GLU  65   3.902 -12.664  -6.290
  469   2HB   GLU  65          2HB       GLU  65   5.522 -13.170  -5.816
  470   1HG   GLU  65          1HG       GLU  65   3.193 -14.768  -4.721
  471   2HG   GLU  65          2HG       GLU  65   3.621 -14.940  -6.427
  472    H    ASP  66           H        ASP  66   3.817 -10.291  -5.652
  473    HA   ASP  66           HA       ASP  66   6.273  -8.825  -4.753
  474   1HB   ASP  66          1HB       ASP  66   4.717  -8.908  -7.368
  475   2HB   ASP  66          2HB       ASP  66   5.555  -7.431  -6.892
  476    H    TYR  67           H        TYR  67   2.742  -8.804  -4.614
  477    HA   TYR  67           HA       TYR  67   2.448  -6.067  -3.995
  478   1HB   TYR  67          1HB       TYR  67   0.855  -8.467  -4.080
  479   2HB   TYR  67          2HB       TYR  67   0.578  -7.749  -2.518
  480    HD1  TYR  67           HD1      TYR  67   0.701  -4.791  -3.339
  481    HD2  TYR  67           HD2      TYR  67  -1.283  -8.272  -4.936
  482    HE1  TYR  67           HE1      TYR  67  -1.025  -3.355  -4.388
  483    HE2  TYR  67           HE2      TYR  67  -3.026  -6.816  -5.936
  484    HH   TYR  67           HH       TYR  67  -3.400  -4.401  -6.572
  485    H    LYS  68           H        LYS  68   2.927  -8.929  -1.883
  486    HA   LYS  68           HA       LYS  68   2.745  -7.500   0.572
  487   1HB   LYS  68          1HB       LYS  68   3.155  -9.438   1.652
  488   2HB   LYS  68          2HB       LYS  68   2.496 -10.044   0.136
  489   1HG   LYS  68          1HG       LYS  68   4.873 -10.486  -0.641
  490   2HG   LYS  68          2HG       LYS  68   5.438  -9.859   0.923
  491   1HD   LYS  68          1HD       LYS  68   3.961 -11.665   2.026
  492   2HD   LYS  68          2HD       LYS  68   3.768 -12.337   0.406
  493   1HE   LYS  68          1HE       LYS  68   5.567 -13.509   1.561
  494   2HE   LYS  68          2HE       LYS  68   6.235 -12.602   0.197
  495   1HZ   LYS  68          1HZ       LYS  68   6.998 -10.928   1.733
  496   2HZ   LYS  68          2HZ       LYS  68   6.253 -11.654   3.003
  497   3HZ   LYS  68          3HZ       LYS  68   7.532 -12.380   2.264
  498    H    ALA  69           H        ALA  69   5.456  -8.414  -1.532
  499    HA   ALA  69           HA       ALA  69   7.598  -7.376   0.039
  500   1HB   ALA  69          1HB       ALA  69   7.953  -8.856  -1.815
  501   2HB   ALA  69          2HB       ALA  69   7.260  -7.674  -2.936
  502   3HB   ALA  69          3HB       ALA  69   8.795  -7.319  -2.093
  503    H    ALA  70           H        ALA  70   5.027  -5.754  -1.796
  504    HA   ALA  70           HA       ALA  70   6.648  -3.297  -2.246
  505   1HB   ALA  70          1HB       ALA  70   5.068  -4.118  -3.980
  506   2HB   ALA  70          2HB       ALA  70   3.717  -3.781  -2.876
  507   3HB   ALA  70          3HB       ALA  70   4.757  -2.465  -3.433
  508    H    ILE  71           H        ILE  71   4.007  -4.435  -0.193
  509    HA   ILE  71           HA       ILE  71   3.768  -1.896   1.241
  510    HB   ILE  71           HB       ILE  71   1.823  -3.011   1.252
  511   1HG1  ILE  71          1HG1      ILE  71   2.728  -2.549   3.614
  512   2HG1  ILE  71          2HG1      ILE  71   1.242  -3.485   3.291
  513   1HG2  ILE  71          1HG2      ILE  71   2.262  -5.127   0.341
  514   2HG2  ILE  71          2HG2      ILE  71   3.234  -5.586   1.781
  515   3HG2  ILE  71          3HG2      ILE  71   1.461  -5.411   1.859
  516   1HD1  ILE  71          1HD1      ILE  71   2.320  -5.591   3.867
  517   2HD1  ILE  71          2HD1      ILE  71   3.889  -4.800   4.024
  518   3HD1  ILE  71          3HD1      ILE  71   2.584  -4.463   5.163
  519    H    GLU  72           H        GLU  72   5.474  -5.005   1.787
  520    HA   GLU  72           HA       GLU  72   6.464  -4.136   4.346
  521   1HB   GLU  72          1HB       GLU  72   7.681  -6.050   4.545
  522   2HB   GLU  72          2HB       GLU  72   6.257  -6.506   3.610
  523   1HG   GLU  72          1HG       GLU  72   7.710  -7.536   2.239
  524   2HG   GLU  72          2HG       GLU  72   8.129  -5.921   1.627
  525    H    PHE  73           H        PHE  73   7.720  -3.646   1.056
  526    HA   PHE  73           HA       PHE  73  10.208  -2.556   1.644
  527   1HB   PHE  73          1HB       PHE  73   9.129  -2.852  -0.615
  528   2HB   PHE  73          2HB       PHE  73   8.223  -1.374  -0.333
  529    HD1  PHE  73           HD1      PHE  73   9.604   0.813   0.074
  530    HD2  PHE  73           HD2      PHE  73  11.365  -2.854  -1.365
  531    HE1  PHE  73           HE1      PHE  73  11.576   2.074  -0.742
  532    HE2  PHE  73           HE2      PHE  73  13.324  -1.577  -2.194
  533    HZ   PHE  73           HZ       PHE  73  13.401   0.892  -1.936
  534    H    MET  74           H        MET  74   7.020  -0.832   1.864
  535    HA   MET  74           HA       MET  74   8.240   1.595   2.850
  536   1HB   MET  74          1HB       MET  74   5.419   0.519   2.963
  537   2HB   MET  74          2HB       MET  74   5.893   2.046   3.770
  538   1HG   MET  74          1HG       MET  74   5.189   2.931   1.778
  539   2HG   MET  74          2HG       MET  74   6.863   2.614   1.361
  540   1HE   MET  74          1HE       MET  74   3.287   0.508   1.173
  541   2HE   MET  74          2HE       MET  74   3.184   2.170   0.537
  542   3HE   MET  74          3HE       MET  74   3.130   0.780  -0.558
  543    H    SER  75           H        SER  75   6.716  -1.244   4.493
  544    HA   SER  75           HA       SER  75   8.581  -0.914   6.693
  545   1HB   SER  75          1HB       SER  75   7.338   0.897   7.484
  546   2HB   SER  75          2HB       SER  75   5.803   0.188   7.016
  547    HG   SER  75           HG       SER  75   6.143   0.074   9.285
  548    H    LYS  76           H        LYS  76   5.265  -1.948   6.985
  549    HA   LYS  76           HA       LYS  76   5.153  -4.606   6.321
  550   1HB   LYS  76          1HB       LYS  76   5.465  -5.678   8.523
  551   2HB   LYS  76          2HB       LYS  76   6.956  -5.231   7.748
  552   1HG   LYS  76          1HG       LYS  76   6.345  -2.983   9.325
  553   2HG   LYS  76          2HG       LYS  76   5.748  -4.318  10.298
  554   1HD   LYS  76          1HD       LYS  76   7.936  -5.291  10.452
  555   2HD   LYS  76          2HD       LYS  76   8.550  -4.299   9.112
  556   1HE   LYS  76          1HE       LYS  76   8.216  -2.227  10.426
  557   2HE   LYS  76          2HE       LYS  76   7.610  -3.173  11.796
  558   1HZ   LYS  76          1HZ       LYS  76   9.779  -4.220  11.927
  559   2HZ   LYS  76          2HZ       LYS  76  10.314  -3.370  10.623
  560   3HZ   LYS  76          3HZ       LYS  76   9.940  -2.584  12.018
  561    H    ALA  77           H        ALA  77   3.436  -2.468   6.226
  562    HA   ALA  77           HA       ALA  77   1.219  -3.804   7.422
  563   1HB   ALA  77          1HB       ALA  77   1.742  -2.454   9.360
  564   2HB   ALA  77          2HB       ALA  77   1.577  -0.963   8.416
  565   3HB   ALA  77          3HB       ALA  77   0.186  -2.055   8.658
  566    H    LYS  78           H        LYS  78   1.334  -0.411   6.368
  567    HA   LYS  78           HA       LYS  78  -0.949  -1.056   4.651
  568   1HB   LYS  78          1HB       LYS  78  -1.543   1.297   4.879
  569   2HB   LYS  78          2HB       LYS  78  -1.270   0.509   6.442
  570   1HG   LYS  78          1HG       LYS  78   0.690   1.715   6.865
  571   2HG   LYS  78          2HG       LYS  78   1.060   1.798   5.158
  572   1HD   LYS  78          1HD       LYS  78   0.594   3.855   5.082
  573   2HD   LYS  78          2HD       LYS  78  -1.100   3.429   5.140
  574   1HE   LYS  78          1HE       LYS  78   0.267   3.565   7.809
  575   2HE   LYS  78          2HE       LYS  78   0.371   5.038   6.929
  576   1HZ   LYS  78          1HZ       LYS  78  -2.157   4.772   6.641
  577   2HZ   LYS  78          2HZ       LYS  78  -2.048   3.705   7.923
  578   3HZ   LYS  78          3HZ       LYS  78  -1.567   5.259   8.063
  579    HHA  HEC  90           HHA      HEC  90  -5.837   4.207   3.327
  580    HHB  HEC  90           HHB      HEC  90  -1.431  -0.012   1.180
  581    HHC  HEC  90           HHC      HEC  90  -1.794   2.695  -4.673
  582    HHD  HEC  90           HHD      HEC  90  -5.430   7.412  -2.187
  583   1HMA  HEC  90          1HMA      HEC  90  -4.009  -1.018   3.116
  584   2HMA  HEC  90          2HMA      HEC  90  -2.263  -0.760   2.975
  585   3HMA  HEC  90          3HMA      HEC  90  -3.107  -0.319   4.473
  586   1HAA  HEC  90          1HAA      HEC  90  -4.652   2.982   5.109
  587   2HAA  HEC  90          2HAA      HEC  90  -4.412   1.250   5.309
  588   1HBA  HEC  90          1HBA      HEC  90  -6.658   0.781   4.443
  589   2HBA  HEC  90          2HBA      HEC  90  -6.959   2.506   4.201
  590   1HMB  HEC  90          1HMB      HEC  90  -0.383  -1.634  -0.926
  591   2HMB  HEC  90          2HMB      HEC  90   0.996  -0.774  -1.613
  592   3HMB  HEC  90          3HMB      HEC  90   0.515  -0.442   0.028
  593    HAB  HEC  90           HAB      HEC  90  -0.296   1.262  -4.758
  594   1HBB  HEC  90          1HBB      HEC  90  -1.203  -1.003  -4.669
  595   2HBB  HEC  90          2HBB      HEC  90   0.474  -0.952  -5.248
  596   3HBB  HEC  90          3HBB      HEC  90   0.133  -1.492  -3.596
  597   1HMC  HEC  90          1HMC      HEC  90  -3.662   4.705  -6.732
  598   2HMC  HEC  90          2HMC      HEC  90  -2.341   5.846  -6.371
  599   3HMC  HEC  90          3HMC      HEC  90  -2.092   4.112  -6.232
  600    HAC  HEC  90           HAC      HEC  90  -5.520   7.570  -4.266
  601   1HBC  HEC  90          1HBC      HEC  90  -5.783   5.977  -6.199
  602   2HBC  HEC  90          2HBC      HEC  90  -5.887   7.724  -6.513
  603   3HBC  HEC  90          3HBC      HEC  90  -4.414   6.852  -6.945
  604   1HMD  HEC  90          1HMD      HEC  90  -7.461   8.008  -0.967
  605   2HMD  HEC  90          2HMD      HEC  90  -7.587   8.464   0.739
  606   3HMD  HEC  90          3HMD      HEC  90  -6.182   8.961  -0.196
  607   1HAD  HEC  90          1HAD      HEC  90  -7.585   5.578   3.138
  608   2HAD  HEC  90          2HAD      HEC  90  -8.254   6.798   2.088
  609   1HBD  HEC  90          1HBD      HEC  90  -6.571   8.444   3.030
  610   2HBD  HEC  90          2HBD      HEC  90  -6.092   7.197   4.193
  Start of MODEL   27
    1   1H    ALA  -3          1H        ALA  -3   3.474  -1.848 -14.663
    2   2H    ALA  -3          2H        ALA  -3   2.664  -0.859 -15.719
    3   3H    ALA  -3          3H        ALA  -3   2.100  -2.367 -15.394
    4    HA   ALA  -3           HA       ALA  -3   3.151  -2.277 -17.548
    5   1HB   ALA  -3          1HB       ALA  -3   4.798  -0.543 -17.121
    6   2HB   ALA  -3          2HB       ALA  -3   5.630  -1.553 -15.924
    7   3HB   ALA  -3          3HB       ALA  -3   5.619  -2.026 -17.633
    8    H    ASP  -2           H        ASP  -2   5.348  -3.475 -14.980
    9    HA   ASP  -2           HA       ASP  -2   4.310  -6.217 -15.197
   10   1HB   ASP  -2          1HB       ASP  -2   6.676  -6.827 -15.695
   11   2HB   ASP  -2          2HB       ASP  -2   5.941  -5.858 -16.966
   12    H    LEU  -1           H        LEU  -1   4.196  -7.147 -13.252
   13    HA   LEU  -1           HA       LEU  -1   5.379  -5.957 -10.835
   14   1HB   LEU  -1          1HB       LEU  -1   3.202  -6.784 -10.649
   15   2HB   LEU  -1          2HB       LEU  -1   3.597  -8.300 -11.438
   16    HG   LEU  -1           HG       LEU  -1   5.285  -8.139  -9.096
   17   1HD1  LEU  -1          1HD1      LEU  -1   4.040  -6.714  -7.844
   18   2HD1  LEU  -1          2HD1      LEU  -1   2.501  -7.149  -8.594
   19   3HD1  LEU  -1          3HD1      LEU  -1   3.261  -8.245  -7.432
   20   1HD2  LEU  -1          1HD2      LEU  -1   2.827  -9.819  -9.737
   21   2HD2  LEU  -1          2HD2      LEU  -1   4.481 -10.144 -10.276
   22   3HD2  LEU  -1          3HD2      LEU  -1   4.090 -10.219  -8.557
   23    H    GLN   1           H        GLN   1   7.399  -6.021 -11.917
   24    HA   GLN   1           HA       GLN   1   8.927  -8.579 -11.605
   25   1HB   GLN   1          1HB       GLN   1   9.015  -6.240 -13.434
   26   2HB   GLN   1          2HB       GLN   1  10.573  -6.491 -12.669
   27   1HG   GLN   1          1HG       GLN   1  10.569  -7.695 -14.716
   28   2HG   GLN   1          2HG       GLN   1  10.576  -8.867 -13.387
   29   1HE2  GLN   1          1HE2      GLN   1   9.946  -9.834 -15.819
   30   2HE2  GLN   1          2HE2      GLN   1   8.208 -10.125 -15.911
   31    H    ASP   2           H        ASP   2   8.570  -5.384 -10.299
   32    HA   ASP   2           HA       ASP   2  10.230  -6.203  -8.037
   33   1HB   ASP   2          1HB       ASP   2  11.708  -4.867  -9.650
   34   2HB   ASP   2          2HB       ASP   2  10.696  -3.464  -9.258
   35    H    ALA   3           H        ALA   3   8.705  -6.181  -6.542
   36    HA   ALA   3           HA       ALA   3   6.508  -4.658  -6.123
   37   1HB   ALA   3          1HB       ALA   3   7.487  -6.464  -4.697
   38   2HB   ALA   3          2HB       ALA   3   8.551  -5.238  -3.953
   39   3HB   ALA   3          3HB       ALA   3   6.782  -5.094  -3.867
   40    H    GLU   4           H        GLU   4   9.879  -3.403  -5.719
   41    HA   GLU   4           HA       GLU   4   9.228  -0.889  -4.520
   42   1HB   GLU   4          1HB       GLU   4  11.524  -1.609  -4.658
   43   2HB   GLU   4          2HB       GLU   4  11.463  -1.671  -6.422
   44   1HG   GLU   4          1HG       GLU   4  11.126   0.758  -6.572
   45   2HG   GLU   4          2HG       GLU   4  11.090   0.897  -4.812
   46    H    ALA   5           H        ALA   5   9.351  -2.016  -7.909
   47    HA   ALA   5           HA       ALA   5   8.873   0.627  -9.040
   48   1HB   ALA   5          1HB       ALA   5  10.100  -1.124 -10.266
   49   2HB   ALA   5          2HB       ALA   5   8.637  -2.134 -10.318
   50   3HB   ALA   5          3HB       ALA   5   8.666  -0.571 -11.157
   51    H    ILE   6           H        ILE   6   6.891  -2.187  -8.139
   52    HA   ILE   6           HA       ILE   6   4.443  -1.127  -9.265
   53    HB   ILE   6           HB       ILE   6   5.051  -3.173  -7.126
   54   1HG1  ILE   6          1HG1      ILE   6   5.576  -3.835  -9.420
   55   2HG1  ILE   6          2HG1      ILE   6   4.232  -4.762  -8.766
   56   1HG2  ILE   6          1HG2      ILE   6   2.951  -2.329  -6.383
   57   2HG2  ILE   6          2HG2      ILE   6   2.307  -2.242  -8.032
   58   3HG2  ILE   6          3HG2      ILE   6   2.611  -3.818  -7.261
   59   1HD1  ILE   6          1HD1      ILE   6   2.633  -3.280 -10.049
   60   2HD1  ILE   6          2HD1      ILE   6   4.047  -2.551 -10.845
   61   3HD1  ILE   6          3HD1      ILE   6   3.709  -4.268 -11.040
   62    H    TYR   7           H        TYR   7   5.724  -0.880  -5.812
   63    HA   TYR   7           HA       TYR   7   3.442   0.782  -5.280
   64   1HB   TYR   7          1HB       TYR   7   4.093   1.008  -3.129
   65   2HB   TYR   7          2HB       TYR   7   5.028  -0.414  -3.541
   66    HD1  TYR   7           HD1      TYR   7   7.419  -0.317  -3.401
   67    HD2  TYR   7           HD2      TYR   7   5.106   3.286  -3.011
   68    HE1  TYR   7           HE1      TYR   7   9.514   1.031  -3.243
   69    HE2  TYR   7           HE2      TYR   7   7.185   4.614  -2.826
   70    HH   TYR   7           HH       TYR   7   9.445   4.590  -3.073
   71    H    ASN   8           H        ASN   8   6.733   1.541  -6.305
   72    HA   ASN   8           HA       ASN   8   6.546   4.352  -6.037
   73   1HB   ASN   8          1HB       ASN   8   8.614   2.932  -6.050
   74   2HB   ASN   8          2HB       ASN   8   8.366   2.651  -7.787
   75   1HD2  ASN   8          1HD2      ASN   8  10.413   3.553  -8.274
   76   2HD2  ASN   8          2HD2      ASN   8  10.676   5.284  -8.124
   77    H    LYS   9           H        LYS   9   5.522   2.217  -8.697
   78    HA   LYS   9           HA       LYS   9   4.798   4.561 -10.317
   79   1HB   LYS   9          1HB       LYS   9   5.930   2.520 -11.110
   80   2HB   LYS   9          2HB       LYS   9   4.414   1.619 -10.888
   81   1HG   LYS   9          1HG       LYS   9   3.320   2.941 -12.560
   82   2HG   LYS   9          2HG       LYS   9   4.604   4.164 -12.570
   83   1HD   LYS   9          1HD       LYS   9   5.981   2.959 -13.954
   84   2HD   LYS   9          2HD       LYS   9   5.749   1.495 -13.015
   85   1HE   LYS   9          1HE       LYS   9   4.899   0.828 -14.989
   86   2HE   LYS   9          2HE       LYS   9   3.454   1.266 -14.058
   87   1HZ   LYS   9          1HZ       LYS   9   3.481   3.410 -15.261
   88   2HZ   LYS   9          2HZ       LYS   9   4.828   2.961 -16.087
   89   3HZ   LYS   9          3HZ       LYS   9   3.410   2.183 -16.354
   90    H    ALA  10           H        ALA  10   3.250   2.377  -8.060
   91    HA   ALA  10           HA       ALA  10   0.516   3.169  -8.990
   92   1HB   ALA  10          1HB       ALA  10   1.008   0.751  -8.876
   93   2HB   ALA  10          2HB       ALA  10   1.290   0.900  -7.126
   94   3HB   ALA  10          3HB       ALA  10  -0.298   1.251  -7.791
   95    H    CYS  11           H        CYS  11   2.017   2.498  -5.767
   96    HA   CYS  11           HA       CYS  11   0.041   4.170  -4.412
   97   1HB   CYS  11          1HB       CYS  11   2.401   3.121  -2.971
   98   2HB   CYS  11          2HB       CYS  11   0.711   3.134  -2.494
   99    H    THR  12           H        THR  12   1.409   5.686  -6.232
  100    HA   THR  12           HA       THR  12   3.480   7.240  -4.742
  101    HB   THR  12           HB       THR  12   4.230   5.592  -6.521
  102    HG1  THR  12           HG1      THR  12   4.746   8.275  -7.120
  103   1HG2  THR  12          1HG2      THR  12   2.371   6.003  -8.154
  104   2HG2  THR  12          2HG2      THR  12   2.945   7.664  -8.401
  105   3HG2  THR  12          3HG2      THR  12   3.951   6.314  -8.885
  106    H    VAL  13           H        VAL  13   0.485   7.535  -5.851
  107    HA   VAL  13           HA       VAL  13   0.765  10.278  -6.974
  108    HB   VAL  13           HB       VAL  13  -1.610   8.348  -6.922
  109   1HG1  VAL  13          1HG1      VAL  13  -2.164  10.725  -7.213
  110   2HG1  VAL  13          2HG1      VAL  13  -0.963  10.839  -8.522
  111   3HG1  VAL  13          3HG1      VAL  13  -2.420   9.827  -8.726
  112   1HG2  VAL  13          1HG2      VAL  13   0.469   8.786  -9.106
  113   2HG2  VAL  13          2HG2      VAL  13   0.163   7.272  -8.226
  114   3HG2  VAL  13          3HG2      VAL  13  -1.065   7.916  -9.311
  115    H    CYS  14           H        CYS  14  -1.206   8.359  -4.753
  116    HA   CYS  14           HA       CYS  14  -2.241  10.608  -3.206
  117   1HB   CYS  14          1HB       CYS  14  -2.383   7.614  -3.297
  118   2HB   CYS  14          2HB       CYS  14  -3.034   8.463  -1.900
  119    H    HIS  15           H        HIS  15  -0.378   7.679  -2.334
  120    HA   HIS  15           HA       HIS  15   0.078   8.568   0.317
  121   1HB   HIS  15          1HB       HIS  15   1.143   6.316  -1.445
  122   2HB   HIS  15          2HB       HIS  15   1.674   6.507   0.210
  123    HD1  HIS  15           HD1      HIS  15   0.544   5.012   1.748
  124    HD2  HIS  15           HD2      HIS  15  -1.752   5.975  -1.605
  125    HE1  HIS  15           HE1      HIS  15  -1.488   3.487   1.838
  126    H    SER  16           H        SER  16   1.890   9.314  -2.477
  127    HA   SER  16           HA       SER  16   4.544   9.380  -1.295
  128   1HB   SER  16          1HB       SER  16   3.983   9.148  -3.740
  129   2HB   SER  16          2HB       SER  16   3.624  10.885  -3.774
  130    HG   SER  16           HG       SER  16   5.857  10.197  -4.297
  131    H    MET  17           H        MET  17   1.981  11.729  -1.853
  132    HA   MET  17           HA       MET  17   3.420  13.768  -0.205
  133   1HB   MET  17          1HB       MET  17   2.786  14.000  -2.843
  134   2HB   MET  17          2HB       MET  17   1.271  14.575  -2.135
  135   1HG   MET  17          1HG       MET  17   2.688  16.483  -2.426
  136   2HG   MET  17          2HG       MET  17   2.721  16.132  -0.691
  137   1HE   MET  17          1HE       MET  17   4.733  18.097  -1.953
  138   2HE   MET  17          2HE       MET  17   4.856  17.575  -0.249
  139   3HE   MET  17          3HE       MET  17   6.294  17.538  -1.298
  140    H    GLY  18           H        GLY  18   0.332  12.150  -0.768
  141   1HA   GLY  18          1HA       GLY  18  -1.320  11.760   0.788
  142   2HA   GLY  18          2HA       GLY  18  -0.690  12.984   1.858
  143    H    VAL  19           H        VAL  19  -2.030  12.853  -1.491
  144    HA   VAL  19           HA       VAL  19  -3.332  15.453  -1.175
  145    HB   VAL  19           HB       VAL  19  -3.484  13.452  -3.470
  146   1HG1  VAL  19          1HG1      VAL  19  -5.392  15.014  -3.558
  147   2HG1  VAL  19          2HG1      VAL  19  -4.299  16.393  -3.323
  148   3HG1  VAL  19          3HG1      VAL  19  -4.222  15.427  -4.809
  149   1HG2  VAL  19          1HG2      VAL  19  -1.761  15.945  -3.105
  150   2HG2  VAL  19          2HG2      VAL  19  -1.176  14.266  -3.127
  151   3HG2  VAL  19          3HG2      VAL  19  -1.874  14.976  -4.588
  152    H    ALA  20           H        ALA  20  -4.641  12.215  -1.636
  153    HA   ALA  20           HA       ALA  20  -7.384  13.190  -1.168
  154   1HB   ALA  20          1HB       ALA  20  -6.900  11.575  -2.908
  155   2HB   ALA  20          2HB       ALA  20  -6.231  10.451  -1.704
  156   3HB   ALA  20          3HB       ALA  20  -7.972  10.856  -1.679
  157    H    GLY  21           H        GLY  21  -5.479  13.521   0.928
  158   1HA   GLY  21          1HA       GLY  21  -5.171  13.207   3.216
  159   2HA   GLY  21          2HA       GLY  21  -6.761  12.427   3.287
  160    H    ALA  22           H        ALA  22  -4.095  11.369   1.228
  161    HA   ALA  22           HA       ALA  22  -4.192   8.697   2.281
  162   1HB   ALA  22          1HB       ALA  22  -3.902   9.146  -0.070
  163   2HB   ALA  22          2HB       ALA  22  -2.366   9.958   0.216
  164   3HB   ALA  22          3HB       ALA  22  -2.513   8.224   0.519
  165    HA   PRO  23           HA       PRO  23  -1.012   8.941   5.437
  166   1HB   PRO  23          1HB       PRO  23  -0.207   6.402   5.524
  167   2HB   PRO  23          2HB       PRO  23  -1.902   6.861   5.943
  168   1HG   PRO  23          1HG       PRO  23  -0.898   5.768   3.359
  169   2HG   PRO  23          2HG       PRO  23  -2.327   5.204   4.304
  170   1HD   PRO  23          1HD       PRO  23  -2.623   6.859   2.243
  171   2HD   PRO  23          2HD       PRO  23  -3.593   7.041   3.731
  172    H    LYS  24           H        LYS  24   1.314   8.808   5.724
  173    HA   LYS  24           HA       LYS  24   2.602   9.621   3.179
  174   1HB   LYS  24          1HB       LYS  24   3.723   9.548   5.970
  175   2HB   LYS  24          2HB       LYS  24   4.534  10.256   4.580
  176   1HG   LYS  24          1HG       LYS  24   2.956  12.017   4.344
  177   2HG   LYS  24          2HG       LYS  24   1.771  11.201   5.363
  178   1HD   LYS  24          1HD       LYS  24   3.819  11.412   7.157
  179   2HD   LYS  24          2HD       LYS  24   4.200  12.809   6.191
  180   1HE   LYS  24          1HE       LYS  24   1.351  12.318   7.224
  181   2HE   LYS  24          2HE       LYS  24   2.581  12.970   8.301
  182   1HZ   LYS  24          1HZ       LYS  24   2.864  14.827   6.887
  183   2HZ   LYS  24          2HZ       LYS  24   1.870  14.214   5.726
  184   3HZ   LYS  24          3HZ       LYS  24   1.256  14.672   7.181
  185    H    SER  25           H        SER  25   3.921   8.420   1.930
  186    HA   SER  25           HA       SER  25   4.649   5.859   1.911
  187   1HB   SER  25          1HB       SER  25   6.384   8.275   1.298
  188   2HB   SER  25          2HB       SER  25   6.893   6.612   0.932
  189    HG   SER  25           HG       SER  25   5.789   7.500  -0.849
  190    H    HIS  26           H        HIS  26   6.111   8.119   4.221
  191    HA   HIS  26           HA       HIS  26   7.203   5.819   5.693
  192   1HB   HIS  26          1HB       HIS  26   9.252   6.946   6.249
  193   2HB   HIS  26          2HB       HIS  26   9.138   6.714   4.505
  194    HD1  HIS  26           HD1      HIS  26   9.236   9.474   7.133
  195    HD2  HIS  26           HD2      HIS  26   8.708   8.986   2.990
  196    HE1  HIS  26           HE1      HIS  26   9.418  11.797   6.098
  197    H    ASN  27           H        ASN  27   6.084   5.821   7.520
  198    HA   ASN  27           HA       ASN  27   6.146   8.121   9.294
  199   1HB   ASN  27          1HB       ASN  27   3.665   7.141   7.884
  200   2HB   ASN  27          2HB       ASN  27   3.590   7.202   9.660
  201   1HD2  ASN  27          1HD2      ASN  27   1.848   8.693   7.869
  202   2HD2  ASN  27          2HD2      ASN  27   2.221  10.352   8.277
  203    H    THR  28           H        THR  28   5.706   7.319  11.513
  204    HA   THR  28           HA       THR  28   5.748   4.295  11.754
  205    HB   THR  28           HB       THR  28   6.586   6.456  13.720
  206    HG1  THR  28           HG1      THR  28   8.125   4.592  12.239
  207   1HG2  THR  28          1HG2      THR  28   5.838   4.465  14.944
  208   2HG2  THR  28          2HG2      THR  28   6.788   3.413  13.867
  209   3HG2  THR  28          3HG2      THR  28   7.606   4.553  14.955
  210    H    ALA  29           H        ALA  29   4.153   7.278  12.962
  211    HA   ALA  29           HA       ALA  29   2.352   5.845  14.693
  212   1HB   ALA  29          1HB       ALA  29   3.152   8.107  15.138
  213   2HB   ALA  29          2HB       ALA  29   2.309   8.705  13.686
  214   3HB   ALA  29          3HB       ALA  29   1.378   8.048  15.053
  215    H    ASP  30           H        ASP  30   2.186   6.826  11.355
  216    HA   ASP  30           HA       ASP  30  -0.697   6.547  10.994
  217   1HB   ASP  30          1HB       ASP  30   0.900   8.153   9.829
  218   2HB   ASP  30          2HB       ASP  30   1.670   6.719   9.086
  219    H    TRP  31           H        TRP  31   2.229   4.584  10.801
  220    HA   TRP  31           HA       TRP  31   0.927   2.330   9.401
  221   1HB   TRP  31          1HB       TRP  31   3.736   2.896  10.328
  222   2HB   TRP  31          2HB       TRP  31   3.233   1.361   9.597
  223    HD1  TRP  31           HD1      TRP  31   3.394   5.105   8.694
  224    HE1  TRP  31           HE1      TRP  31   3.559   5.455   6.170
  225    HE3  TRP  31           HE3      TRP  31   3.378   0.208   7.261
  226    HZ2  TRP  31           HZ2      TRP  31   3.586   3.839   3.852
  227    HZ3  TRP  31           HZ3      TRP  31   3.399  -0.333   4.812
  228    HH2  TRP  31           HH2      TRP  31   3.387   1.474   3.154
  229    H    GLU  32           H        GLU  32   2.049   3.167  12.724
  230    HA   GLU  32           HA       GLU  32   1.737   0.832  14.037
  231   1HB   GLU  32          1HB       GLU  32   1.955   3.470  14.825
  232   2HB   GLU  32          2HB       GLU  32   0.366   3.064  15.438
  233   1HG   GLU  32          1HG       GLU  32   1.798   0.859  16.270
  234   2HG   GLU  32          2HG       GLU  32   3.003   2.155  16.355
  235    HA   PRO  33           HA       PRO  33  -3.016   0.874  14.504
  236   1HB   PRO  33          1HB       PRO  33  -4.644   2.658  13.251
  237   2HB   PRO  33          2HB       PRO  33  -3.734   3.082  14.726
  238   1HG   PRO  33          1HG       PRO  33  -2.886   3.619  11.854
  239   2HG   PRO  33          2HG       PRO  33  -3.022   4.801  13.184
  240   1HD   PRO  33          1HD       PRO  33  -0.658   3.652  12.629
  241   2HD   PRO  33          2HD       PRO  33  -1.196   3.909  14.313
  242    H    ARG  34           H        ARG  34  -1.276   0.604  11.695
  243    HA   ARG  34           HA       ARG  34  -3.461  -0.944  10.343
  244   1HB   ARG  34          1HB       ARG  34  -0.983   0.415   9.221
  245   2HB   ARG  34          2HB       ARG  34  -1.801  -0.930   8.422
  246   1HG   ARG  34          1HG       ARG  34  -2.750   0.959   7.427
  247   2HG   ARG  34          2HG       ARG  34  -3.959   0.308   8.514
  248   1HD   ARG  34          1HD       ARG  34  -2.669   2.185  10.127
  249   2HD   ARG  34          2HD       ARG  34  -2.567   2.951   8.594
  250    HE   ARG  34           HE       ARG  34  -5.012   2.277  10.147
  251   1HH1  ARG  34          2HH1      ARG  34  -3.783   3.498   7.073
  252   2HH1  ARG  34          1HH1      ARG  34  -5.273   4.277   6.652
  253   1HH2  ARG  34          1HH2      ARG  34  -7.021   3.347   9.480
  254   2HH2  ARG  34          2HH2      ARG  34  -7.012   4.152   7.905
  255    H    LEU  35           H        LEU  35  -0.088  -1.023  11.516
  256    HA   LEU  35           HA       LEU  35   0.109  -3.933  11.559
  257   1HB   LEU  35          1HB       LEU  35   1.626  -1.545  12.557
  258   2HB   LEU  35          2HB       LEU  35   1.921  -3.014  13.441
  259    HG   LEU  35           HG       LEU  35   1.969  -3.518  10.550
  260   1HD1  LEU  35          1HD1      LEU  35   2.811  -1.163  10.590
  261   2HD1  LEU  35          2HD1      LEU  35   4.082  -1.661  11.727
  262   3HD1  LEU  35          3HD1      LEU  35   4.036  -2.319  10.077
  263   1HD2  LEU  35          1HD2      LEU  35   4.089  -3.979  12.664
  264   2HD2  LEU  35          2HD2      LEU  35   2.679  -5.036  12.435
  265   3HD2  LEU  35          3HD2      LEU  35   3.843  -4.849  11.130
  266    H    ALA  36           H        ALA  36  -2.393  -2.836  12.830
  267    HA   ALA  36           HA       ALA  36  -2.042  -3.629  15.682
  268   1HB   ALA  36          1HB       ALA  36  -3.263  -1.555  15.243
  269   2HB   ALA  36          2HB       ALA  36  -4.407  -2.421  14.192
  270   3HB   ALA  36          3HB       ALA  36  -4.334  -2.792  15.931
  271    H    LYS  37           H        LYS  37  -3.595  -4.530  12.622
  272    HA   LYS  37           HA       LYS  37  -4.858  -6.914  13.757
  273   1HB   LYS  37          1HB       LYS  37  -4.473  -5.980  10.905
  274   2HB   LYS  37          2HB       LYS  37  -5.362  -7.446  11.405
  275   1HG   LYS  37          1HG       LYS  37  -6.816  -5.771  12.801
  276   2HG   LYS  37          2HG       LYS  37  -6.037  -4.526  11.799
  277   1HD   LYS  37          1HD       LYS  37  -6.687  -6.190   9.816
  278   2HD   LYS  37          2HD       LYS  37  -7.836  -6.845  10.966
  279   1HE   LYS  37          1HE       LYS  37  -8.053  -3.914  10.901
  280   2HE   LYS  37          2HE       LYS  37  -8.001  -4.517   9.244
  281   1HZ   LYS  37          1HZ       LYS  37  -9.827  -6.011   9.810
  282   2HZ   LYS  37          2HZ       LYS  37  -9.899  -5.378  11.328
  283   3HZ   LYS  37          3HZ       LYS  37 -10.242  -4.437  10.025
  284    H    GLY  38           H        GLY  38  -2.209  -6.326  11.417
  285   1HA   GLY  38          1HA       GLY  38  -0.043  -7.319  12.326
  286   2HA   GLY  38          2HA       GLY  38  -0.865  -8.875  12.306
  287    H    VAL  39           H        VAL  39  -0.517  -6.206   9.869
  288    HA   VAL  39           HA       VAL  39  -0.011  -6.207   7.681
  289    HB   VAL  39           HB       VAL  39   1.677  -8.643   8.036
  290   1HG1  VAL  39          1HG1      VAL  39   1.923  -7.651   5.861
  291   2HG1  VAL  39          2HG1      VAL  39   2.056  -6.014   6.549
  292   3HG1  VAL  39          3HG1      VAL  39   3.354  -7.198   6.754
  293   1HG2  VAL  39          1HG2      VAL  39   2.178  -5.991   9.414
  294   2HG2  VAL  39          2HG2      VAL  39   2.287  -7.625  10.091
  295   3HG2  VAL  39          3HG2      VAL  39   3.520  -7.067   8.975
  296    H    ASP  40           H        ASP  40   0.048  -7.437   5.625
  297    HA   ASP  40           HA       ASP  40  -0.944  -8.700   4.052
  298   1HB   ASP  40          1HB       ASP  40  -2.088 -10.578   6.158
  299   2HB   ASP  40          2HB       ASP  40  -1.725 -10.887   4.461
  300    H    ASN  41           H        ASN  41  -3.146  -8.419   6.858
  301    HA   ASN  41           HA       ASN  41  -5.658  -8.154   5.782
  302   1HB   ASN  41          1HB       ASN  41  -4.753  -5.906   7.594
  303   2HB   ASN  41          2HB       ASN  41  -6.281  -6.768   7.556
  304   1HD2  ASN  41          1HD2      ASN  41  -3.010  -6.703   8.769
  305   2HD2  ASN  41          2HD2      ASN  41  -3.198  -8.052   9.865
  306    H    LEU  42           H        LEU  42  -3.049  -5.809   5.489
  307    HA   LEU  42           HA       LEU  42  -4.607  -3.651   4.301
  308   1HB   LEU  42          1HB       LEU  42  -1.680  -4.332   4.672
  309   2HB   LEU  42          2HB       LEU  42  -2.202  -2.858   3.906
  310    HG   LEU  42           HG       LEU  42  -1.880  -2.066   6.029
  311   1HD1  LEU  42          1HD1      LEU  42  -4.317  -1.684   5.594
  312   2HD1  LEU  42          2HD1      LEU  42  -4.680  -3.152   6.528
  313   3HD1  LEU  42          3HD1      LEU  42  -3.902  -1.775   7.308
  314   1HD2  LEU  42          1HD2      LEU  42  -2.808  -4.675   7.281
  315   2HD2  LEU  42          2HD2      LEU  42  -1.124  -4.217   6.955
  316   3HD2  LEU  42          3HD2      LEU  42  -2.095  -3.288   8.106
  317    H    VAL  43           H        VAL  43  -2.205  -5.988   2.989
  318    HA   VAL  43           HA       VAL  43  -2.586  -5.493   0.305
  319    HB   VAL  43           HB       VAL  43  -1.039  -7.193   1.672
  320   1HG1  VAL  43          1HG1      VAL  43  -2.990  -8.853   1.571
  321   2HG1  VAL  43          2HG1      VAL  43  -2.673  -9.018  -0.145
  322   3HG1  VAL  43          3HG1      VAL  43  -1.406  -9.442   1.030
  323   1HG2  VAL  43          1HG2      VAL  43  -1.649  -7.346  -1.317
  324   2HG2  VAL  43          2HG2      VAL  43  -0.601  -6.135  -0.580
  325   3HG2  VAL  43          3HG2      VAL  43  -0.144  -7.840  -0.498
  326    H    LYS  44           H        LYS  44  -4.713  -7.219   2.551
  327    HA   LYS  44           HA       LYS  44  -6.557  -8.036   0.409
  328   1HB   LYS  44          1HB       LYS  44  -6.712  -8.301   3.420
  329   2HB   LYS  44          2HB       LYS  44  -7.988  -8.812   2.310
  330   1HG   LYS  44          1HG       LYS  44  -6.896 -10.689   1.727
  331   2HG   LYS  44          2HG       LYS  44  -5.527  -9.722   1.210
  332   1HD   LYS  44          1HD       LYS  44  -5.147  -9.795   3.961
  333   2HD   LYS  44          2HD       LYS  44  -5.860 -11.373   3.656
  334   1HE   LYS  44          1HE       LYS  44  -3.916 -10.941   1.543
  335   2HE   LYS  44          2HE       LYS  44  -3.216 -10.273   2.999
  336   1HZ   LYS  44          1HZ       LYS  44  -3.381 -12.373   4.057
  337   2HZ   LYS  44          2HZ       LYS  44  -4.199 -13.026   2.776
  338   3HZ   LYS  44          3HZ       LYS  44  -2.636 -12.548   2.597
  339    H    SER  45           H        SER  45  -6.543  -5.289   2.712
  340    HA   SER  45           HA       SER  45  -9.116  -4.316   1.829
  341   1HB   SER  45          1HB       SER  45  -6.923  -2.927   3.306
  342   2HB   SER  45          2HB       SER  45  -8.587  -2.356   3.120
  343    HG   SER  45           HG       SER  45  -8.194  -3.486   5.131
  344    H    VAL  46           H        VAL  46  -5.808  -4.178   0.614
  345    HA   VAL  46           HA       VAL  46  -6.455  -1.885  -1.114
  346    HB   VAL  46           HB       VAL  46  -4.182  -2.216  -0.042
  347   1HG1  VAL  46          1HG1      VAL  46  -4.162  -4.614  -0.667
  348   2HG1  VAL  46          2HG1      VAL  46  -3.805  -4.227  -2.341
  349   3HG1  VAL  46          3HG1      VAL  46  -2.643  -3.767  -1.071
  350   1HG2  VAL  46          1HG2      VAL  46  -4.284  -2.113  -3.057
  351   2HG2  VAL  46          2HG2      VAL  46  -4.496  -0.702  -1.973
  352   3HG2  VAL  46          3HG2      VAL  46  -2.933  -1.577  -2.009
  353    H    LYS  47           H        LYS  47  -5.941  -5.432  -1.542
  354    HA   LYS  47           HA       LYS  47  -6.194  -5.421  -4.282
  355   1HB   LYS  47          1HB       LYS  47  -6.455  -7.638  -4.314
  356   2HB   LYS  47          2HB       LYS  47  -5.620  -7.299  -2.808
  357   1HG   LYS  47          1HG       LYS  47  -7.154  -9.071  -2.454
  358   2HG   LYS  47          2HG       LYS  47  -7.709  -7.666  -1.551
  359   1HD   LYS  47          1HD       LYS  47  -9.611  -7.500  -2.680
  360   2HD   LYS  47          2HD       LYS  47  -8.838  -7.681  -4.259
  361   1HE   LYS  47          1HE       LYS  47  -9.286 -10.117  -2.499
  362   2HE   LYS  47          2HE       LYS  47 -10.627  -9.438  -3.426
  363   1HZ   LYS  47          1HZ       LYS  47  -9.388  -9.686  -5.429
  364   2HZ   LYS  47          2HZ       LYS  47  -8.065 -10.246  -4.635
  365   3HZ   LYS  47          3HZ       LYS  47  -9.449 -11.141  -4.673
  366    H    THR  48           H        THR  48  -8.676  -5.271  -1.902
  367    HA   THR  48           HA       THR  48 -10.988  -5.242  -3.669
  368    HB   THR  48           HB       THR  48 -11.183  -6.012  -1.386
  369    HG1  THR  48           HG1      THR  48 -12.670  -4.148  -0.657
  370   1HG2  THR  48          1HG2      THR  48  -9.535  -4.481  -0.360
  371   2HG2  THR  48          2HG2      THR  48 -10.715  -3.157  -0.437
  372   3HG2  THR  48          3HG2      THR  48 -11.041  -4.601   0.548
  373    H    GLY  49           H        GLY  49  -8.985  -2.641  -2.243
  374   1HA   GLY  49          1HA       GLY  49  -8.835  -0.428  -2.905
  375   2HA   GLY  49          2HA       GLY  49 -10.143  -0.649  -4.064
  376    H    LEU  50           H        LEU  50  -9.310   0.368  -0.869
  377    HA   LEU  50           HA       LEU  50 -11.882   0.705   0.279
  378   1HB   LEU  50          1HB       LEU  50  -9.460   1.013   1.187
  379   2HB   LEU  50          2HB       LEU  50  -9.571   2.652   0.587
  380    HG   LEU  50           HG       LEU  50 -11.630   2.899   2.119
  381   1HD1  LEU  50          1HD1      LEU  50 -12.225   0.555   2.484
  382   2HD1  LEU  50          2HD1      LEU  50 -10.613   0.209   3.131
  383   3HD1  LEU  50          3HD1      LEU  50 -11.725   1.257   4.026
  384   1HD2  LEU  50          1HD2      LEU  50  -8.927   2.367   3.358
  385   2HD2  LEU  50          2HD2      LEU  50  -9.554   3.892   2.720
  386   3HD2  LEU  50          3HD2      LEU  50 -10.285   3.167   4.162
  387    H    ASN  51           H        ASN  51 -12.864   2.877   0.639
  388    HA   ASN  51           HA       ASN  51 -14.134   3.810  -1.522
  389   1HB   ASN  51          1HB       ASN  51 -13.470   5.715   0.790
  390   2HB   ASN  51          2HB       ASN  51 -14.898   5.734  -0.231
  391   1HD2  ASN  51          1HD2      ASN  51 -13.182   4.271   2.430
  392   2HD2  ASN  51          2HD2      ASN  51 -14.200   2.866   2.613
  393    H    ALA  52           H        ALA  52 -11.538   5.654  -0.038
  394    HA   ALA  52           HA       ALA  52 -11.117   7.363  -2.403
  395   1HB   ALA  52          1HB       ALA  52 -11.181   8.276  -0.110
  396   2HB   ALA  52          2HB       ALA  52  -9.762   7.302   0.318
  397   3HB   ALA  52          3HB       ALA  52  -9.634   8.593  -0.913
  398    H    MET  53           H        MET  53 -10.330   4.271  -2.058
  399    HA   MET  53           HA       MET  53  -7.643   4.654  -3.320
  400   1HB   MET  53          1HB       MET  53  -8.828   2.436  -1.650
  401   2HB   MET  53          2HB       MET  53  -7.617   2.038  -2.858
  402   1HG   MET  53          1HG       MET  53  -6.504   4.225  -1.613
  403   2HG   MET  53          2HG       MET  53  -7.273   3.403  -0.267
  404   1HE   MET  53          1HE       MET  53  -6.468   1.449   0.824
  405   2HE   MET  53          2HE       MET  53  -6.920   0.377  -0.506
  406   3HE   MET  53          3HE       MET  53  -5.306   0.251   0.214
  407    HA   PRO  54           HA       PRO  54  -9.136   2.908  -7.108
  408   1HB   PRO  54          1HB       PRO  54  -6.771   1.938  -8.179
  409   2HB   PRO  54          2HB       PRO  54  -7.231   3.662  -8.149
  410   1HG   PRO  54          1HG       PRO  54  -5.342   2.204  -6.330
  411   2HG   PRO  54          2HG       PRO  54  -5.219   3.851  -6.984
  412   1HD   PRO  54          1HD       PRO  54  -6.099   3.162  -4.424
  413   2HD   PRO  54          2HD       PRO  54  -6.491   4.696  -5.254
  414    HA   PRO  55           HA       PRO  55  -9.768  -1.433  -6.166
  415   1HB   PRO  55          1HB       PRO  55 -10.105  -2.555  -8.622
  416   2HB   PRO  55          2HB       PRO  55 -11.304  -1.428  -7.922
  417   1HG   PRO  55          1HG       PRO  55  -9.077  -0.769  -9.876
  418   2HG   PRO  55          2HG       PRO  55 -10.807  -0.350 -10.022
  419   1HD   PRO  55          1HD       PRO  55  -8.996   1.409  -9.033
  420   2HD   PRO  55          2HD       PRO  55 -10.629   1.307  -8.312
  421    H    GLY  56           H        GLY  56  -8.140  -3.001  -5.571
  422   1HA   GLY  56          1HA       GLY  56  -6.176  -4.115  -5.765
  423   2HA   GLY  56          2HA       GLY  56  -6.231  -3.872  -7.488
  424    H    GLY  57           H        GLY  57  -6.233  -1.236  -5.103
  425   1HA   GLY  57          1HA       GLY  57  -4.809   0.547  -4.845
  426   2HA   GLY  57          2HA       GLY  57  -3.588  -0.696  -4.654
  427    H    MET  58           H        MET  58  -5.290  -0.155  -7.723
  428    HA   MET  58           HA       MET  58  -4.701   0.545  -9.754
  429   1HB   MET  58          1HB       MET  58  -3.857   2.606  -8.453
  430   2HB   MET  58          2HB       MET  58  -2.244   1.930  -8.664
  431   1HG   MET  58          1HG       MET  58  -2.982   1.814 -11.222
  432   2HG   MET  58          2HG       MET  58  -4.149   3.024 -10.704
  433   1HE   MET  58          1HE       MET  58  -3.309   4.847 -12.308
  434   2HE   MET  58          2HE       MET  58  -3.624   5.479 -10.666
  435   3HE   MET  58          3HE       MET  58  -2.189   6.021 -11.569
  436    H    CYS  59           H        CYS  59  -4.013  -2.030  -8.984
  437    HA   CYS  59           HA       CYS  59  -1.598  -2.566 -10.671
  438   1HB   CYS  59          1HB       CYS  59  -1.946  -3.047  -7.965
  439   2HB   CYS  59          2HB       CYS  59  -2.330  -4.614  -8.663
  440    H    THR  60           H        THR  60  -1.620  -4.562 -11.875
  441    HA   THR  60           HA       THR  60  -4.375  -5.434 -12.705
  442    HB   THR  60           HB       THR  60  -1.878  -5.260 -14.436
  443    HG1  THR  60           HG1      THR  60  -3.332  -3.642 -15.428
  444   1HG2  THR  60          1HG2      THR  60  -3.503  -7.036 -15.176
  445   2HG2  THR  60          2HG2      THR  60  -4.796  -5.823 -15.157
  446   3HG2  THR  60          3HG2      THR  60  -3.439  -5.671 -16.290
  447    H    ASP  61           H        ASP  61  -1.356  -7.035 -13.688
  448    HA   ASP  61           HA       ASP  61  -2.256  -9.549 -12.455
  449   1HB   ASP  61          1HB       ASP  61  -0.144  -8.787 -14.518
  450   2HB   ASP  61          2HB       ASP  61  -0.358 -10.420 -13.866
  451    H    CYS  62           H        CYS  62  -1.888  -8.317 -10.404
  452    HA   CYS  62           HA       CYS  62   0.949  -8.561  -9.427
  453   1HB   CYS  62          1HB       CYS  62  -1.288  -6.784  -8.434
  454   2HB   CYS  62          2HB       CYS  62   0.364  -6.816  -7.842
  455    H    THR  63           H        THR  63   1.404  -9.993  -7.869
  456    HA   THR  63           HA       THR  63  -0.872 -11.311  -6.427
  457    HB   THR  63           HB       THR  63   1.662 -12.539  -7.579
  458    HG1  THR  63           HG1      THR  63   0.235 -13.506  -8.978
  459   1HG2  THR  63          1HG2      THR  63   0.965 -13.784  -5.564
  460   2HG2  THR  63          2HG2      THR  63  -0.730 -13.778  -6.120
  461   3HG2  THR  63          3HG2      THR  63   0.506 -14.695  -7.000
  462    H    ASP  64           H        ASP  64  -0.544 -11.855  -4.262
  463    HA   ASP  64           HA       ASP  64   0.639 -10.268  -2.504
  464   1HB   ASP  64          1HB       ASP  64  -0.119 -13.163  -2.524
  465   2HB   ASP  64          2HB       ASP  64   0.768 -12.553  -1.133
  466    H    GLU  65           H        GLU  65   2.373 -12.991  -4.008
  467    HA   GLU  65           HA       GLU  65   4.758 -13.110  -2.705
  468   1HB   GLU  65          1HB       GLU  65   5.730 -13.837  -4.805
  469   2HB   GLU  65          2HB       GLU  65   4.092 -14.470  -4.609
  470   1HG   GLU  65          1HG       GLU  65   3.327 -12.486  -6.083
  471   2HG   GLU  65          2HG       GLU  65   5.034 -12.268  -6.485
  472    H    ASP  66           H        ASP  66   4.078 -10.600  -5.220
  473    HA   ASP  66           HA       ASP  66   6.378  -9.004  -4.140
  474   1HB   ASP  66          1HB       ASP  66   5.219  -9.323  -6.857
  475   2HB   ASP  66          2HB       ASP  66   5.648  -7.669  -6.390
  476    H    TYR  67           H        TYR  67   2.820  -8.929  -4.570
  477    HA   TYR  67           HA       TYR  67   2.358  -6.215  -4.048
  478   1HB   TYR  67          1HB       TYR  67   0.868  -8.597  -4.221
  479   2HB   TYR  67          2HB       TYR  67   0.503  -8.011  -2.625
  480    HD1  TYR  67           HD1      TYR  67  -1.068  -8.372  -5.390
  481    HD2  TYR  67           HD2      TYR  67   0.355  -5.061  -3.016
  482    HE1  TYR  67           HE1      TYR  67  -2.978  -7.000  -6.154
  483    HE2  TYR  67           HE2      TYR  67  -1.562  -3.693  -3.802
  484    HH   TYR  67           HH       TYR  67  -3.286  -3.790  -5.882
  485    H    LYS  68           H        LYS  68   3.138  -8.823  -1.790
  486    HA   LYS  68           HA       LYS  68   2.679  -7.268   0.610
  487   1HB   LYS  68          1HB       LYS  68   3.393  -9.101   1.814
  488   2HB   LYS  68          2HB       LYS  68   2.549  -9.782   0.420
  489   1HG   LYS  68          1HG       LYS  68   4.930 -10.104  -0.626
  490   2HG   LYS  68          2HG       LYS  68   5.539  -9.632   0.964
  491   1HD   LYS  68          1HD       LYS  68   3.729 -11.478   1.749
  492   2HD   LYS  68          2HD       LYS  68   4.055 -12.100   0.116
  493   1HE   LYS  68          1HE       LYS  68   6.492 -12.172   0.643
  494   2HE   LYS  68          2HE       LYS  68   6.186 -11.422   2.222
  495   1HZ   LYS  68          1HZ       LYS  68   4.855 -13.325   2.816
  496   2HZ   LYS  68          2HZ       LYS  68   5.188 -14.062   1.382
  497   3HZ   LYS  68          3HZ       LYS  68   6.397 -13.775   2.468
  498    H    ALA  69           H        ALA  69   5.594  -8.203  -1.299
  499    HA   ALA  69           HA       ALA  69   7.521  -6.861   0.298
  500   1HB   ALA  69          1HB       ALA  69   8.171  -8.461  -1.373
  501   2HB   ALA  69          2HB       ALA  69   7.489  -7.468  -2.668
  502   3HB   ALA  69          3HB       ALA  69   8.899  -6.890  -1.759
  503    H    ALA  70           H        ALA  70   5.247  -5.673  -2.097
  504    HA   ALA  70           HA       ALA  70   6.415  -3.067  -2.525
  505   1HB   ALA  70          1HB       ALA  70   4.757  -4.086  -4.086
  506   2HB   ALA  70          2HB       ALA  70   3.502  -3.919  -2.847
  507   3HB   ALA  70          3HB       ALA  70   4.253  -2.487  -3.535
  508    H    ILE  71           H        ILE  71   3.957  -4.294  -0.354
  509    HA   ILE  71           HA       ILE  71   3.483  -1.846   1.100
  510    HB   ILE  71           HB       ILE  71   2.586  -4.665   1.040
  511   1HG1  ILE  71          1HG1      ILE  71   0.770  -2.671   2.164
  512   2HG1  ILE  71          2HG1      ILE  71   1.438  -2.251   0.574
  513   1HG2  ILE  71          1HG2      ILE  71   3.388  -4.942   3.252
  514   2HG2  ILE  71          2HG2      ILE  71   2.711  -3.375   3.748
  515   3HG2  ILE  71          3HG2      ILE  71   1.644  -4.734   3.304
  516   1HD1  ILE  71          1HD1      ILE  71   0.677  -4.315  -0.367
  517   2HD1  ILE  71          2HD1      ILE  71   0.099  -4.875   1.233
  518   3HD1  ILE  71          3HD1      ILE  71  -0.680  -3.492   0.433
  519    H    GLU  72           H        GLU  72   5.362  -4.745   1.835
  520    HA   GLU  72           HA       GLU  72   6.483  -3.897   4.301
  521   1HB   GLU  72          1HB       GLU  72   7.520  -5.871   2.245
  522   2HB   GLU  72          2HB       GLU  72   8.223  -5.632   3.846
  523   1HG   GLU  72          1HG       GLU  72   6.110  -6.307   4.922
  524   2HG   GLU  72          2HG       GLU  72   5.377  -6.607   3.343
  525    H    PHE  73           H        PHE  73   7.522  -3.226   0.959
  526    HA   PHE  73           HA       PHE  73  10.064  -2.218   1.370
  527   1HB   PHE  73          1HB       PHE  73   8.857  -2.329  -0.797
  528   2HB   PHE  73          2HB       PHE  73   7.867  -0.959  -0.318
  529    HD1  PHE  73           HD1      PHE  73   9.050   1.308   0.125
  530    HD2  PHE  73           HD2      PHE  73  10.984  -2.038  -1.800
  531    HE1  PHE  73           HE1      PHE  73  10.883   2.793  -0.625
  532    HE2  PHE  73           HE2      PHE  73  12.767  -0.527  -2.613
  533    HZ   PHE  73           HZ       PHE  73  12.717   1.883  -2.046
  534    H    MET  74           H        MET  74   6.996  -0.404   1.914
  535    HA   MET  74           HA       MET  74   8.329   1.967   2.826
  536   1HB   MET  74          1HB       MET  74   5.536   0.878   3.075
  537   2HB   MET  74          2HB       MET  74   5.996   2.442   3.821
  538   1HG   MET  74          1HG       MET  74   5.107   3.155   1.792
  539   2HG   MET  74          2HG       MET  74   6.817   3.045   1.413
  540   1HE   MET  74          1HE       MET  74   3.684   0.388   1.314
  541   2HE   MET  74          2HE       MET  74   3.184   1.940   0.619
  542   3HE   MET  74          3HE       MET  74   3.398   0.521  -0.414
  543    H    SER  75           H        SER  75   6.876  -0.804   4.512
  544    HA   SER  75           HA       SER  75   8.671  -0.541   6.742
  545   1HB   SER  75          1HB       SER  75   7.321   1.281   7.490
  546   2HB   SER  75          2HB       SER  75   5.828   0.401   7.174
  547    HG   SER  75           HG       SER  75   6.448   0.413   9.411
  548    H    LYS  76           H        LYS  76   5.295  -1.678   6.615
  549    HA   LYS  76           HA       LYS  76   5.339  -4.330   6.050
  550   1HB   LYS  76          1HB       LYS  76   5.490  -5.393   8.242
  551   2HB   LYS  76          2HB       LYS  76   7.033  -4.891   7.625
  552   1HG   LYS  76          1HG       LYS  76   6.206  -2.670   9.153
  553   2HG   LYS  76          2HG       LYS  76   5.526  -4.020  10.038
  554   1HD   LYS  76          1HD       LYS  76   7.655  -4.988  10.445
  555   2HD   LYS  76          2HD       LYS  76   8.440  -4.000   9.192
  556   1HE   LYS  76          1HE       LYS  76   8.073  -1.944  10.421
  557   2HE   LYS  76          2HE       LYS  76   7.109  -2.774  11.654
  558   1HZ   LYS  76          1HZ       LYS  76   9.077  -3.973  12.307
  559   2HZ   LYS  76          2HZ       LYS  76   9.968  -3.267  11.113
  560   3HZ   LYS  76          3HZ       LYS  76   9.386  -2.357  12.354
  561    H    ALA  77           H        ALA  77   3.477  -2.416   5.694
  562    HA   ALA  77           HA       ALA  77   1.246  -3.771   6.844
  563   1HB   ALA  77          1HB       ALA  77   1.657  -2.358   8.794
  564   2HB   ALA  77          2HB       ALA  77   1.550  -0.903   7.811
  565   3HB   ALA  77          3HB       ALA  77   0.137  -1.957   8.008
  566    H    LYS  78           H        LYS  78   1.393  -0.372   5.845
  567    HA   LYS  78           HA       LYS  78  -0.543  -1.029   3.737
  568   1HB   LYS  78          1HB       LYS  78  -1.176   1.249   3.733
  569   2HB   LYS  78          2HB       LYS  78  -1.109   0.723   5.425
  570   1HG   LYS  78          1HG       LYS  78   1.052   1.937   5.652
  571   2HG   LYS  78          2HG       LYS  78   1.026   2.283   3.900
  572   1HD   LYS  78          1HD       LYS  78   0.296   4.262   4.791
  573   2HD   LYS  78          2HD       LYS  78  -1.143   3.409   4.205
  574   1HE   LYS  78          1HE       LYS  78  -1.964   3.993   6.281
  575   2HE   LYS  78          2HE       LYS  78  -1.163   2.475   6.736
  576   1HZ   LYS  78          1HZ       LYS  78   0.814   3.941   7.267
  577   2HZ   LYS  78          2HZ       LYS  78  -0.261   5.216   7.152
  578   3HZ   LYS  78          3HZ       LYS  78  -0.521   4.118   8.241
  579    HHA  HEC  90           HHA      HEC  90  -6.012   3.759   3.475
  580    HHB  HEC  90           HHB      HEC  90  -1.419  -0.113   1.054
  581    HHC  HEC  90           HHC      HEC  90  -2.033   2.853  -4.616
  582    HHD  HEC  90           HHD      HEC  90  -5.591   7.448  -1.766
  583   1HMA  HEC  90          1HMA      HEC  90  -3.914  -1.282   3.324
  584   2HMA  HEC  90          2HMA      HEC  90  -2.315  -1.077   2.649
  585   3HMA  HEC  90          3HMA      HEC  90  -2.661  -0.513   4.303
  586   1HAA  HEC  90          1HAA      HEC  90  -5.265   2.370   5.057
  587   2HAA  HEC  90          2HAA      HEC  90  -4.361   0.897   5.300
  588   1HBA  HEC  90          1HBA      HEC  90  -7.181   1.237   5.027
  589   2HBA  HEC  90          2HBA      HEC  90  -6.289  -0.234   5.386
  590   1HMB  HEC  90          1HMB      HEC  90  -0.498  -1.654  -1.267
  591   2HMB  HEC  90          2HMB      HEC  90   0.891  -0.694  -1.808
  592   3HMB  HEC  90          3HMB      HEC  90   0.348  -0.536  -0.172
  593    HAB  HEC  90           HAB      HEC  90  -0.627   1.314  -4.877
  594   1HBB  HEC  90          1HBB      HEC  90  -1.410  -1.087  -4.558
  595   2HBB  HEC  90          2HBB      HEC  90   0.083  -0.848  -5.475
  596   3HBB  HEC  90          3HBB      HEC  90   0.155  -1.410  -3.801
  597   1HMC  HEC  90          1HMC      HEC  90  -3.547   5.313  -6.566
  598   2HMC  HEC  90          2HMC      HEC  90  -2.209   6.191  -5.793
  599   3HMC  HEC  90          3HMC      HEC  90  -2.160   4.452  -5.966
  600    HAC  HEC  90           HAC      HEC  90  -5.995   7.347  -4.163
  601   1HBC  HEC  90          1HBC      HEC  90  -5.358   6.567  -6.415
  602   2HBC  HEC  90          2HBC      HEC  90  -5.521   8.321  -6.274
  603   3HBC  HEC  90          3HBC      HEC  90  -3.909   7.626  -6.320
  604   1HMD  HEC  90          1HMD      HEC  90  -7.647   8.101   0.035
  605   2HMD  HEC  90          2HMD      HEC  90  -6.989   8.646   1.596
  606   3HMD  HEC  90          3HMD      HEC  90  -6.057   8.840   0.119
  607   1HAD  HEC  90          1HAD      HEC  90  -7.809   5.340   3.326
  608   2HAD  HEC  90          2HAD      HEC  90  -7.973   6.996   2.793
  609   1HBD  HEC  90          1HBD      HEC  90  -7.337   7.270   4.994
  610   2HBD  HEC  90          2HBD      HEC  90  -5.805   7.468   4.152
  Start of MODEL   28
    1   1H    ALA  -3          1H        ALA  -3   5.581   1.497 -15.455
    2   2H    ALA  -3          2H        ALA  -3   6.975   2.319 -15.819
    3   3H    ALA  -3          3H        ALA  -3   6.488   1.007 -16.716
    4    HA   ALA  -3           HA       ALA  -3   8.289   0.376 -15.326
    5   1HB   ALA  -3          1HB       ALA  -3   7.588   2.045 -13.464
    6   2HB   ALA  -3          2HB       ALA  -3   6.414   0.796 -12.983
    7   3HB   ALA  -3          3HB       ALA  -3   8.149   0.447 -12.948
    8    H    ASP  -2           H        ASP  -2   7.571  -1.560 -13.335
    9    HA   ASP  -2           HA       ASP  -2   5.880  -3.466 -14.843
   10   1HB   ASP  -2          1HB       ASP  -2   8.925  -3.408 -14.576
   11   2HB   ASP  -2          2HB       ASP  -2   8.004  -4.830 -15.082
   12    H    LEU  -1           H        LEU  -1   5.066  -4.971 -13.538
   13    HA   LEU  -1           HA       LEU  -1   5.588  -4.922 -10.680
   14   1HB   LEU  -1          1HB       LEU  -1   3.380  -5.060 -11.417
   15   2HB   LEU  -1          2HB       LEU  -1   3.717  -6.447 -12.455
   16    HG   LEU  -1           HG       LEU  -1   4.475  -7.142  -9.739
   17   1HD1  LEU  -1          1HD1      LEU  -1   2.918  -5.375  -8.998
   18   2HD1  LEU  -1          2HD1      LEU  -1   1.633  -6.091  -9.988
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.328  -6.995  -8.616
   20   1HD2  LEU  -1          1HD2      LEU  -1   2.146  -8.007 -11.513
   21   2HD2  LEU  -1          2HD2      LEU  -1   3.785  -8.681 -11.579
   22   3HD2  LEU  -1          3HD2      LEU  -1   2.804  -8.904 -10.127
   23    H    GLN   1           H        GLN   1   7.835  -5.371 -11.139
   24    HA   GLN   1           HA       GLN   1   8.505  -8.290 -11.172
   25   1HB   GLN   1          1HB       GLN   1   9.621  -6.025 -12.586
   26   2HB   GLN   1          2HB       GLN   1  10.840  -6.619 -11.462
   27   1HG   GLN   1          1HG       GLN   1  11.082  -7.784 -13.572
   28   2HG   GLN   1          2HG       GLN   1  10.521  -8.927 -12.343
   29   1HE2  GLN   1          1HE2      GLN   1   9.673 -10.372 -13.979
   30   2HE2  GLN   1          2HE2      GLN   1   8.217  -9.918 -14.861
   31    H    ASP   2           H        ASP   2   8.483  -5.574  -9.121
   32    HA   ASP   2           HA       ASP   2  10.232  -6.885  -7.068
   33   1HB   ASP   2          1HB       ASP   2  11.491  -5.332  -8.514
   34   2HB   ASP   2          2HB       ASP   2  10.379  -4.020  -8.126
   35    H    ALA   3           H        ALA   3   9.791  -4.045  -5.879
   36    HA   ALA   3           HA       ALA   3   7.132  -4.190  -4.596
   37   1HB   ALA   3          1HB       ALA   3   8.678  -5.573  -3.274
   38   2HB   ALA   3          2HB       ALA   3   9.900  -4.295  -3.275
   39   3HB   ALA   3          3HB       ALA   3   8.381  -4.053  -2.403
   40    H    GLU   4           H        GLU   4  10.350  -2.511  -4.806
   41    HA   GLU   4           HA       GLU   4   9.399   0.057  -3.977
   42   1HB   GLU   4          1HB       GLU   4  11.735  -0.447  -3.941
   43   2HB   GLU   4          2HB       GLU   4  11.799  -0.756  -5.674
   44   1HG   GLU   4          1HG       GLU   4  11.479   1.567  -6.193
   45   2HG   GLU   4          2HG       GLU   4  10.836   1.926  -4.582
   46    H    ALA   5           H        ALA   5   9.816  -1.488  -7.145
   47    HA   ALA   5           HA       ALA   5   9.028   0.815  -8.701
   48   1HB   ALA   5          1HB       ALA   5  10.418  -1.001  -9.602
   49   2HB   ALA   5          2HB       ALA   5   9.062  -2.140  -9.429
   50   3HB   ALA   5          3HB       ALA   5   8.944  -0.782 -10.571
   51    H    ILE   6           H        ILE   6   7.271  -1.835  -7.183
   52    HA   ILE   6           HA       ILE   6   4.792  -1.509  -8.650
   53    HB   ILE   6           HB       ILE   6   5.619  -2.884  -6.078
   54   1HG1  ILE   6          1HG1      ILE   6   4.941  -4.893  -7.317
   55   2HG1  ILE   6          2HG1      ILE   6   4.460  -3.893  -8.704
   56   1HG2  ILE   6          1HG2      ILE   6   3.312  -2.138  -5.620
   57   2HG2  ILE   6          2HG2      ILE   6   2.791  -2.695  -7.228
   58   3HG2  ILE   6          3HG2      ILE   6   3.305  -3.859  -5.994
   59   1HD1  ILE   6          1HD1      ILE   6   6.693  -3.398  -9.274
   60   2HD1  ILE   6          2HD1      ILE   6   7.293  -3.836  -7.663
   61   3HD1  ILE   6          3HD1      ILE   6   6.704  -5.100  -8.756
   62    H    TYR   7           H        TYR   7   5.905  -0.426  -5.360
   63    HA   TYR   7           HA       TYR   7   3.510   1.137  -5.091
   64   1HB   TYR   7          1HB       TYR   7   4.150   1.720  -3.016
   65   2HB   TYR   7          2HB       TYR   7   5.118   0.277  -3.213
   66    HD1  TYR   7           HD1      TYR   7   7.456   0.450  -2.761
   67    HD2  TYR   7           HD2      TYR   7   5.158   4.034  -3.444
   68    HE1  TYR   7           HE1      TYR   7   9.488   1.849  -2.398
   69    HE2  TYR   7           HE2      TYR   7   7.196   5.404  -3.130
   70    HH   TYR   7           HH       TYR   7   9.490   5.351  -2.911
   71    H    ASN   8           H        ASN   8   6.789   1.966  -6.146
   72    HA   ASN   8           HA       ASN   8   6.403   4.751  -6.381
   73   1HB   ASN   8          1HB       ASN   8   8.549   3.500  -6.191
   74   2HB   ASN   8          2HB       ASN   8   8.336   2.932  -7.861
   75   1HD2  ASN   8          1HD2      ASN   8  10.337   3.911  -8.457
   76   2HD2  ASN   8          2HD2      ASN   8  10.453   5.660  -8.581
   77    H    LYS   9           H        LYS   9   5.559   2.142  -8.623
   78    HA   LYS   9           HA       LYS   9   4.619   4.078 -10.659
   79   1HB   LYS   9          1HB       LYS   9   5.685   1.994 -11.257
   80   2HB   LYS   9          2HB       LYS   9   4.438   1.072 -10.456
   81   1HG   LYS   9          1HG       LYS   9   3.028   2.779 -12.292
   82   2HG   LYS   9          2HG       LYS   9   4.499   2.347 -13.107
   83   1HD   LYS   9          1HD       LYS   9   2.821   0.789 -13.726
   84   2HD   LYS   9          2HD       LYS   9   3.958  -0.107 -12.725
   85   1HE   LYS   9          1HE       LYS   9   1.363   1.138 -11.631
   86   2HE   LYS   9          2HE       LYS   9   1.394  -0.443 -12.413
   87   1HZ   LYS   9          1HZ       LYS   9   3.067  -1.119 -10.750
   88   2HZ   LYS   9          2HZ       LYS   9   2.787   0.275  -9.916
   89   3HZ   LYS   9          3HZ       LYS   9   1.583  -0.805 -10.131
   90    H    ALA  10           H        ALA  10   3.170   2.352  -7.896
   91    HA   ALA  10           HA       ALA  10   0.408   2.931  -8.981
   92   1HB   ALA  10          1HB       ALA  10   0.819   0.563  -8.767
   93   2HB   ALA  10          2HB       ALA  10   1.273   0.744  -7.058
   94   3HB   ALA  10          3HB       ALA  10  -0.377   1.102  -7.592
   95    H    CYS  11           H        CYS  11   1.920   2.440  -5.763
   96    HA   CYS  11           HA       CYS  11  -0.021   4.196  -4.470
   97   1HB   CYS  11          1HB       CYS  11   2.371   3.225  -3.026
   98   2HB   CYS  11          2HB       CYS  11   0.692   3.286  -2.513
   99    H    THR  12           H        THR  12   1.228   5.599  -6.423
  100    HA   THR  12           HA       THR  12   3.351   7.281  -5.159
  101    HB   THR  12           HB       THR  12   4.105   5.647  -6.924
  102    HG1  THR  12           HG1      THR  12   4.283   8.404  -7.456
  103   1HG2  THR  12          1HG2      THR  12   2.094   5.811  -8.436
  104   2HG2  THR  12          2HG2      THR  12   2.536   7.489  -8.811
  105   3HG2  THR  12          3HG2      THR  12   3.602   6.178  -9.283
  106    H    VAL  13           H        VAL  13   0.263   7.438  -6.139
  107    HA   VAL  13           HA       VAL  13   0.469  10.149  -7.366
  108    HB   VAL  13           HB       VAL  13  -1.892   8.218  -7.218
  109   1HG1  VAL  13          1HG1      VAL  13  -2.431  10.596  -7.602
  110   2HG1  VAL  13          2HG1      VAL  13  -1.238  10.645  -8.924
  111   3HG1  VAL  13          3HG1      VAL  13  -2.706   9.641  -9.077
  112   1HG2  VAL  13          1HG2      VAL  13   0.183   8.577  -9.425
  113   2HG2  VAL  13          2HG2      VAL  13  -0.138   7.090  -8.503
  114   3HG2  VAL  13          3HG2      VAL  13  -1.357   7.716  -9.610
  115    H    CYS  14           H        CYS  14  -1.285   8.264  -4.931
  116    HA   CYS  14           HA       CYS  14  -2.213  10.597  -3.412
  117   1HB   CYS  14          1HB       CYS  14  -2.489   7.619  -3.375
  118   2HB   CYS  14          2HB       CYS  14  -2.986   8.580  -1.983
  119    H    HIS  15           H        HIS  15  -0.383   7.665  -2.566
  120    HA   HIS  15           HA       HIS  15   0.246   8.677   0.007
  121   1HB   HIS  15          1HB       HIS  15   1.165   6.279  -1.624
  122   2HB   HIS  15          2HB       HIS  15   1.681   6.545   0.029
  123    HD1  HIS  15           HD1      HIS  15  -0.053   6.184   1.921
  124    HD2  HIS  15           HD2      HIS  15  -1.412   5.489  -1.971
  125    HE1  HIS  15           HE1      HIS  15  -2.011   4.517   2.125
  126    H    SER  16           H        SER  16   2.053   9.031  -2.913
  127    HA   SER  16           HA       SER  16   4.691   9.367  -1.773
  128   1HB   SER  16          1HB       SER  16   4.429   8.940  -4.130
  129   2HB   SER  16          2HB       SER  16   3.459  10.416  -4.354
  130    HG   SER  16           HG       SER  16   5.683  10.707  -4.910
  131    H    MET  17           H        MET  17   2.211  11.764  -2.792
  132    HA   MET  17           HA       MET  17   3.646  13.883  -1.296
  133   1HB   MET  17          1HB       MET  17   2.581  13.863  -3.817
  134   2HB   MET  17          2HB       MET  17   1.212  14.501  -2.896
  135   1HG   MET  17          1HG       MET  17   2.483  16.371  -3.600
  136   2HG   MET  17          2HG       MET  17   2.849  16.182  -1.879
  137   1HE   MET  17          1HE       MET  17   4.484  18.049  -3.751
  138   2HE   MET  17          2HE       MET  17   4.945  17.758  -2.051
  139   3HE   MET  17          3HE       MET  17   6.164  17.625  -3.342
  140    H    GLY  18           H        GLY  18   0.851  11.857  -0.985
  141   1HA   GLY  18          1HA       GLY  18  -0.567  11.618   0.815
  142   2HA   GLY  18          2HA       GLY  18  -0.055  13.156   1.504
  143    H    VAL  19           H        VAL  19  -1.355  12.253  -1.725
  144    HA   VAL  19           HA       VAL  19  -3.301  14.475  -1.632
  145    HB   VAL  19           HB       VAL  19  -2.855  12.523  -3.921
  146   1HG1  VAL  19          1HG1      VAL  19  -4.955  13.658  -4.189
  147   2HG1  VAL  19          2HG1      VAL  19  -4.223  15.226  -3.761
  148   3HG1  VAL  19          3HG1      VAL  19  -3.788  14.402  -5.268
  149   1HG2  VAL  19          1HG2      VAL  19  -1.542  15.213  -3.384
  150   2HG2  VAL  19          2HG2      VAL  19  -0.743  13.624  -3.516
  151   3HG2  VAL  19          3HG2      VAL  19  -1.495  14.346  -4.935
  152    H    ALA  20           H        ALA  20  -5.532  14.012  -2.174
  153    HA   ALA  20           HA       ALA  20  -7.548  13.183  -1.527
  154   1HB   ALA  20          1HB       ALA  20  -6.955  11.499  -3.233
  155   2HB   ALA  20          2HB       ALA  20  -6.299  10.460  -1.947
  156   3HB   ALA  20          3HB       ALA  20  -8.026  10.860  -1.970
  157    H    GLY  21           H        GLY  21  -5.320  13.485   0.542
  158   1HA   GLY  21          1HA       GLY  21  -5.212  13.376   2.844
  159   2HA   GLY  21          2HA       GLY  21  -6.762  12.528   2.889
  160    H    ALA  22           H        ALA  22  -4.131  11.249   0.841
  161    HA   ALA  22           HA       ALA  22  -4.279   8.821   2.260
  162   1HB   ALA  22          1HB       ALA  22  -3.868   8.834  -0.068
  163   2HB   ALA  22          2HB       ALA  22  -2.305   9.663   0.138
  164   3HB   ALA  22          3HB       ALA  22  -2.525   7.999   0.739
  165    HA   PRO  23           HA       PRO  23  -1.083   9.185   5.438
  166   1HB   PRO  23          1HB       PRO  23  -0.663   6.663   5.922
  167   2HB   PRO  23          2HB       PRO  23  -2.288   7.375   6.226
  168   1HG   PRO  23          1HG       PRO  23  -1.432   5.787   3.824
  169   2HG   PRO  23          2HG       PRO  23  -2.870   5.487   4.855
  170   1HD   PRO  23          1HD       PRO  23  -3.149   6.932   2.620
  171   2HD   PRO  23          2HD       PRO  23  -3.880   7.558   4.133
  172    H    LYS  24           H        LYS  24   1.210   9.062   5.617
  173    HA   LYS  24           HA       LYS  24   2.356   9.273   2.999
  174   1HB   LYS  24          1HB       LYS  24   3.658   9.333   5.722
  175   2HB   LYS  24          2HB       LYS  24   4.506   9.664   4.209
  176   1HG   LYS  24          1HG       LYS  24   3.262  11.621   3.740
  177   2HG   LYS  24          2HG       LYS  24   1.986  11.208   4.883
  178   1HD   LYS  24          1HD       LYS  24   3.318  13.027   5.780
  179   2HD   LYS  24          2HD       LYS  24   3.439  11.589   6.782
  180   1HE   LYS  24          1HE       LYS  24   5.667  11.083   5.550
  181   2HE   LYS  24          2HE       LYS  24   5.525  12.701   4.849
  182   1HZ   LYS  24          1HZ       LYS  24   5.488  13.547   7.140
  183   2HZ   LYS  24          2HZ       LYS  24   5.666  12.015   7.722
  184   3HZ   LYS  24          3HZ       LYS  24   6.867  12.705   6.831
  185    H    SER  25           H        SER  25   4.003   8.208   2.001
  186    HA   SER  25           HA       SER  25   4.233   5.423   1.878
  187   1HB   SER  25          1HB       SER  25   6.386   5.975   0.727
  188   2HB   SER  25          2HB       SER  25   5.023   6.975   0.173
  189    HG   SER  25           HG       SER  25   6.881   8.270   0.656
  190    H    HIS  26           H        HIS  26   5.815   7.705   4.046
  191    HA   HIS  26           HA       HIS  26   6.955   5.493   5.666
  192   1HB   HIS  26          1HB       HIS  26   9.128   6.561   5.780
  193   2HB   HIS  26          2HB       HIS  26   8.713   6.020   4.157
  194    HD1  HIS  26           HD1      HIS  26  10.904   7.862   3.868
  195    HD2  HIS  26           HD2      HIS  26   7.012   9.320   4.525
  196    HE1  HIS  26           HE1      HIS  26  10.896  10.310   3.144
  197    H    ASN  27           H        ASN  27   5.127   6.054   6.930
  198    HA   ASN  27           HA       ASN  27   5.662   8.269   8.877
  199   1HB   ASN  27          1HB       ASN  27   3.133   6.971   7.830
  200   2HB   ASN  27          2HB       ASN  27   3.205   7.354   9.560
  201   1HD2  ASN  27          1HD2      ASN  27   1.215   8.530   7.825
  202   2HD2  ASN  27          2HD2      ASN  27   1.658  10.212   7.779
  203    H    THR  28           H        THR  28   5.320   7.580  11.150
  204    HA   THR  28           HA       THR  28   5.757   4.615  11.566
  205    HB   THR  28           HB       THR  28   7.590   6.033  12.360
  206    HG1  THR  28           HG1      THR  28   7.218   5.280  14.672
  207   1HG2  THR  28          1HG2      THR  28   6.281   8.103  13.001
  208   2HG2  THR  28          2HG2      THR  28   5.625   7.199  14.389
  209   3HG2  THR  28          3HG2      THR  28   7.359   7.506  14.265
  210    H    ALA  29           H        ALA  29   3.880   7.474  12.649
  211    HA   ALA  29           HA       ALA  29   2.308   5.958  14.533
  212   1HB   ALA  29          1HB       ALA  29   2.804   8.327  14.793
  213   2HB   ALA  29          2HB       ALA  29   1.866   8.702  13.322
  214   3HB   ALA  29          3HB       ALA  29   1.052   8.025  14.755
  215    H    ASP  30           H        ASP  30   1.986   6.633  11.125
  216    HA   ASP  30           HA       ASP  30  -0.844   6.067  10.895
  217   1HB   ASP  30          1HB       ASP  30   0.957   7.540   9.571
  218   2HB   ASP  30          2HB       ASP  30   1.152   6.051   8.608
  219    H    TRP  31           H        TRP  31   2.182   4.348  10.790
  220    HA   TRP  31           HA       TRP  31   1.094   1.863   9.641
  221   1HB   TRP  31          1HB       TRP  31   3.872   2.797  10.352
  222   2HB   TRP  31          2HB       TRP  31   3.513   1.187   9.717
  223    HD1  TRP  31           HD1      TRP  31   3.244   4.893   8.730
  224    HE1  TRP  31           HE1      TRP  31   3.289   5.204   6.179
  225    HE3  TRP  31           HE3      TRP  31   3.580  -0.029   7.293
  226    HZ2  TRP  31           HZ2      TRP  31   3.286   3.551   3.862
  227    HZ3  TRP  31           HZ3      TRP  31   3.192  -0.606   4.895
  228    HH2  TRP  31           HH2      TRP  31   2.914   1.174   3.223
  229    H    GLU  32           H        GLU  32   2.402   3.079  12.814
  230    HA   GLU  32           HA       GLU  32   2.524   0.833  14.339
  231   1HB   GLU  32          1HB       GLU  32   1.765   3.660  14.829
  232   2HB   GLU  32          2HB       GLU  32   1.162   2.530  16.043
  233   1HG   GLU  32          1HG       GLU  32   3.410   1.655  16.441
  234   2HG   GLU  32          2HG       GLU  32   4.076   2.782  15.238
  235    HA   PRO  33           HA       PRO  33  -2.098   0.381  15.367
  236   1HB   PRO  33          1HB       PRO  33  -4.049   1.847  14.124
  237   2HB   PRO  33          2HB       PRO  33  -3.102   2.452  15.510
  238   1HG   PRO  33          1HG       PRO  33  -2.530   2.951  12.567
  239   2HG   PRO  33          2HG       PRO  33  -2.692   4.172  13.862
  240   1HD   PRO  33          1HD       PRO  33  -0.299   3.247  13.080
  241   2HD   PRO  33          2HD       PRO  33  -0.631   3.519  14.819
  242    H    ARG  34           H        ARG  34  -0.749   0.211  12.269
  243    HA   ARG  34           HA       ARG  34  -2.862  -1.553  11.150
  244   1HB   ARG  34          1HB       ARG  34  -0.338  -0.471   9.871
  245   2HB   ARG  34          2HB       ARG  34  -1.709  -1.229   9.084
  246   1HG   ARG  34          1HG       ARG  34  -1.931   1.444  10.585
  247   2HG   ARG  34          2HG       ARG  34  -1.448   1.341   8.918
  248   1HD   ARG  34          1HD       ARG  34  -3.560   0.026   8.466
  249   2HD   ARG  34          2HD       ARG  34  -4.135   0.469  10.061
  250    HE   ARG  34           HE       ARG  34  -3.992   2.120   7.625
  251   1HH1  ARG  34          2HH1      ARG  34  -3.905   2.417  11.066
  252   2HH1  ARG  34          1HH1      ARG  34  -5.160   5.029   9.146
  253   1HH2  ARG  34          1HH2      ARG  34  -5.189   4.196   7.643
  254   2HH2  ARG  34          2HH2      ARG  34  -4.680   3.988  11.120
  255    H    LEU  35           H        LEU  35   0.617  -1.364  11.931
  256    HA   LEU  35           HA       LEU  35   1.311  -4.106  11.636
  257   1HB   LEU  35          1HB       LEU  35   2.581  -1.656  12.463
  258   2HB   LEU  35          2HB       LEU  35   2.864  -2.819  13.739
  259    HG   LEU  35           HG       LEU  35   3.520  -3.242  10.804
  260   1HD1  LEU  35          1HD1      LEU  35   4.915  -1.534  11.895
  261   2HD1  LEU  35          2HD1      LEU  35   5.314  -2.686  13.189
  262   3HD1  LEU  35          3HD1      LEU  35   5.850  -2.992  11.520
  263   1HD2  LEU  35          1HD2      LEU  35   4.150  -4.980  13.218
  264   2HD2  LEU  35          2HD2      LEU  35   3.092  -5.416  11.855
  265   3HD2  LEU  35          3HD2      LEU  35   4.818  -5.190  11.583
  266    H    ALA  36           H        ALA  36  -0.859  -2.874  13.800
  267    HA   ALA  36           HA       ALA  36  -0.178  -4.398  16.216
  268   1HB   ALA  36          1HB       ALA  36  -1.216  -2.163  16.396
  269   2HB   ALA  36          2HB       ALA  36  -2.600  -2.714  15.427
  270   3HB   ALA  36          3HB       ALA  36  -2.303  -3.417  17.034
  271    H    LYS  37           H        LYS  37  -2.048  -4.595  13.246
  272    HA   LYS  37           HA       LYS  37  -3.225  -7.170  14.101
  273   1HB   LYS  37          1HB       LYS  37  -3.742  -5.456  11.639
  274   2HB   LYS  37          2HB       LYS  37  -4.443  -7.060  11.944
  275   1HG   LYS  37          1HG       LYS  37  -5.344  -6.153  14.137
  276   2HG   LYS  37          2HG       LYS  37  -4.827  -4.537  13.617
  277   1HD   LYS  37          1HD       LYS  37  -6.256  -4.725  11.594
  278   2HD   LYS  37          2HD       LYS  37  -6.724  -6.373  12.075
  279   1HE   LYS  37          1HE       LYS  37  -7.666  -5.436  14.224
  280   2HE   LYS  37          2HE       LYS  37  -7.302  -3.805  13.639
  281   1HZ   LYS  37          1HZ       LYS  37  -8.789  -4.216  11.783
  282   2HZ   LYS  37          2HZ       LYS  37  -9.121  -5.731  12.331
  283   3HZ   LYS  37          3HZ       LYS  37  -9.585  -4.422  13.207
  284    H    GLY  38           H        GLY  38  -1.405  -5.771  11.329
  285   1HA   GLY  38          1HA       GLY  38   0.780  -7.501  11.333
  286   2HA   GLY  38          2HA       GLY  38  -0.471  -8.386  10.446
  287    H    VAL  39           H        VAL  39  -0.251  -8.143   8.288
  288    HA   VAL  39           HA       VAL  39   0.092  -5.482   7.100
  289    HB   VAL  39           HB       VAL  39   2.341  -6.075   7.612
  290   1HG1  VAL  39          1HG1      VAL  39   2.126  -8.612   7.523
  291   2HG1  VAL  39          2HG1      VAL  39   2.251  -8.454   5.751
  292   3HG1  VAL  39          3HG1      VAL  39   3.573  -7.913   6.785
  293   1HG2  VAL  39          1HG2      VAL  39   1.846  -6.321   4.634
  294   2HG2  VAL  39          2HG2      VAL  39   1.915  -4.795   5.559
  295   3HG2  VAL  39          3HG2      VAL  39   3.354  -5.821   5.395
  296    H    ASP  40           H        ASP  40   0.262  -8.980   6.074
  297    HA   ASP  40           HA       ASP  40  -1.199  -8.706   3.750
  298   1HB   ASP  40          1HB       ASP  40  -1.059 -11.040   5.694
  299   2HB   ASP  40          2HB       ASP  40  -1.619 -11.140   4.018
  300    H    ASN  41           H        ASN  41  -2.536  -7.778   6.633
  301    HA   ASN  41           HA       ASN  41  -5.330  -8.545   6.119
  302   1HB   ASN  41          1HB       ASN  41  -4.531  -6.028   7.620
  303   2HB   ASN  41          2HB       ASN  41  -5.827  -7.130   7.993
  304   1HD2  ASN  41          1HD2      ASN  41  -2.913  -5.982   9.056
  305   2HD2  ASN  41          2HD2      ASN  41  -2.535  -7.357  10.080
  306    H    LEU  42           H        LEU  42  -3.310  -5.581   5.594
  307    HA   LEU  42           HA       LEU  42  -5.687  -4.304   4.416
  308   1HB   LEU  42          1HB       LEU  42  -2.930  -3.153   4.921
  309   2HB   LEU  42          2HB       LEU  42  -4.417  -2.328   4.403
  310    HG   LEU  42           HG       LEU  42  -5.351  -3.644   6.634
  311   1HD1  LEU  42          1HD1      LEU  42  -2.927  -4.333   7.222
  312   2HD1  LEU  42          2HD1      LEU  42  -2.619  -2.610   7.462
  313   3HD1  LEU  42          3HD1      LEU  42  -3.809  -3.428   8.470
  314   1HD2  LEU  42          1HD2      LEU  42  -4.073  -0.907   6.540
  315   2HD2  LEU  42          2HD2      LEU  42  -5.746  -1.299   6.086
  316   3HD2  LEU  42          3HD2      LEU  42  -5.228  -1.472   7.772
  317    H    VAL  43           H        VAL  43  -2.828  -5.934   3.295
  318    HA   VAL  43           HA       VAL  43  -2.949  -5.216   0.612
  319    HB   VAL  43           HB       VAL  43  -1.344  -6.767   2.083
  320   1HG1  VAL  43          1HG1      VAL  43  -2.986  -8.648   2.021
  321   2HG1  VAL  43          2HG1      VAL  43  -2.693  -8.757   0.261
  322   3HG1  VAL  43          3HG1      VAL  43  -1.368  -9.048   1.396
  323   1HG2  VAL  43          1HG2      VAL  43  -1.689  -6.873  -0.942
  324   2HG2  VAL  43          2HG2      VAL  43  -0.745  -5.661  -0.050
  325   3HG2  VAL  43          3HG2      VAL  43  -0.223  -7.355  -0.055
  326    H    LYS  44           H        LYS  44  -5.262  -6.943   2.549
  327    HA   LYS  44           HA       LYS  44  -6.641  -8.081   0.226
  328   1HB   LYS  44          1HB       LYS  44  -7.705  -7.838   3.032
  329   2HB   LYS  44          2HB       LYS  44  -8.325  -8.854   1.739
  330   1HG   LYS  44          1HG       LYS  44  -5.561  -9.133   2.982
  331   2HG   LYS  44          2HG       LYS  44  -6.963 -10.038   3.496
  332   1HD   LYS  44          1HD       LYS  44  -6.579 -11.590   1.984
  333   2HD   LYS  44          2HD       LYS  44  -6.797 -10.413   0.674
  334   1HE   LYS  44          1HE       LYS  44  -4.508 -10.005   0.475
  335   2HE   LYS  44          2HE       LYS  44  -4.113 -10.665   2.078
  336   1HZ   LYS  44          1HZ       LYS  44  -4.397 -12.839   1.300
  337   2HZ   LYS  44          2HZ       LYS  44  -5.092 -12.358  -0.119
  338   3HZ   LYS  44          3HZ       LYS  44  -3.541 -12.076   0.125
  339    H    SER  45           H        SER  45  -6.729  -5.123   2.147
  340    HA   SER  45           HA       SER  45  -9.328  -4.186   1.195
  341   1HB   SER  45          1HB       SER  45  -8.184  -3.546   3.335
  342   2HB   SER  45          2HB       SER  45  -7.071  -2.522   2.397
  343    HG   SER  45           HG       SER  45  -8.764  -1.316   3.091
  344    H    VAL  46           H        VAL  46  -5.871  -3.622   0.476
  345    HA   VAL  46           HA       VAL  46  -6.259  -1.637  -1.501
  346    HB   VAL  46           HB       VAL  46  -4.144  -2.395  -0.179
  347   1HG1  VAL  46          1HG1      VAL  46  -4.349  -4.732  -0.926
  348   2HG1  VAL  46          2HG1      VAL  46  -3.883  -4.273  -2.550
  349   3HG1  VAL  46          3HG1      VAL  46  -2.722  -4.066  -1.234
  350   1HG2  VAL  46          1HG2      VAL  46  -3.867  -1.794  -3.127
  351   2HG2  VAL  46          2HG2      VAL  46  -3.761  -0.663  -1.741
  352   3HG2  VAL  46          3HG2      VAL  46  -2.523  -1.901  -1.954
  353    H    LYS  47           H        LYS  47  -6.170  -5.167  -1.856
  354    HA   LYS  47           HA       LYS  47  -6.337  -5.049  -4.680
  355   1HB   LYS  47          1HB       LYS  47  -6.164  -7.293  -4.680
  356   2HB   LYS  47          2HB       LYS  47  -5.585  -6.885  -3.049
  357   1HG   LYS  47          1HG       LYS  47  -8.114  -7.276  -2.399
  358   2HG   LYS  47          2HG       LYS  47  -8.185  -8.216  -3.886
  359   1HD   LYS  47          1HD       LYS  47  -5.998  -8.547  -1.790
  360   2HD   LYS  47          2HD       LYS  47  -7.609  -9.244  -1.573
  361   1HE   LYS  47          1HE       LYS  47  -6.416 -11.067  -2.385
  362   2HE   LYS  47          2HE       LYS  47  -7.234 -10.456  -3.824
  363   1HZ   LYS  47          1HZ       LYS  47  -5.068  -9.283  -4.321
  364   2HZ   LYS  47          2HZ       LYS  47  -4.340 -10.159  -3.130
  365   3HZ   LYS  47          3HZ       LYS  47  -4.972 -10.923  -4.349
  366    H    THR  48           H        THR  48  -8.707  -4.991  -2.144
  367    HA   THR  48           HA       THR  48 -11.089  -5.250  -3.832
  368    HB   THR  48           HB       THR  48 -10.579  -4.501  -0.943
  369    HG1  THR  48           HG1      THR  48 -11.756  -6.435  -0.704
  370   1HG2  THR  48          1HG2      THR  48 -12.494  -3.119  -1.516
  371   2HG2  THR  48          2HG2      THR  48 -13.253  -4.469  -2.393
  372   3HG2  THR  48          3HG2      THR  48 -13.054  -4.538  -0.628
  373    H    GLY  49           H        GLY  49  -9.118  -2.565  -2.623
  374   1HA   GLY  49          1HA       GLY  49  -9.101  -0.331  -3.374
  375   2HA   GLY  49          2HA       GLY  49 -10.569  -0.565  -4.318
  376    H    LEU  50           H        LEU  50  -9.360   0.603  -1.376
  377    HA   LEU  50           HA       LEU  50 -11.889   0.680   0.028
  378   1HB   LEU  50          1HB       LEU  50  -9.445   0.944   0.861
  379   2HB   LEU  50          2HB       LEU  50  -9.566   2.615   0.384
  380    HG   LEU  50           HG       LEU  50 -11.447   2.914   2.021
  381   1HD1  LEU  50          1HD1      LEU  50 -12.433   0.682   2.164
  382   2HD1  LEU  50          2HD1      LEU  50 -10.857  -0.035   2.564
  383   3HD1  LEU  50          3HD1      LEU  50 -11.686   1.011   3.730
  384   1HD2  LEU  50          1HD2      LEU  50  -8.917   1.656   3.073
  385   2HD2  LEU  50          2HD2      LEU  50  -9.122   3.366   2.640
  386   3HD2  LEU  50          3HD2      LEU  50 -10.008   2.687   4.019
  387    H    ASN  51           H        ASN  51 -12.764   2.984   0.559
  388    HA   ASN  51           HA       ASN  51 -14.215   3.834  -1.556
  389   1HB   ASN  51          1HB       ASN  51 -13.379   5.776   0.666
  390   2HB   ASN  51          2HB       ASN  51 -14.859   5.813  -0.278
  391   1HD2  ASN  51          1HD2      ASN  51 -13.054   4.348   2.322
  392   2HD2  ASN  51          2HD2      ASN  51 -14.053   2.933   2.530
  393    H    ALA  52           H        ALA  52 -11.484   5.630  -0.330
  394    HA   ALA  52           HA       ALA  52 -11.147   7.267  -2.761
  395   1HB   ALA  52          1HB       ALA  52 -11.003   8.233  -0.504
  396   2HB   ALA  52          2HB       ALA  52  -9.661   7.140  -0.121
  397   3HB   ALA  52          3HB       ALA  52  -9.466   8.405  -1.376
  398    H    MET  53           H        MET  53 -10.464   4.158  -2.402
  399    HA   MET  53           HA       MET  53  -7.885   4.395  -3.903
  400   1HB   MET  53          1HB       MET  53  -8.579   2.860  -1.547
  401   2HB   MET  53          2HB       MET  53  -8.077   1.750  -2.825
  402   1HG   MET  53          1HG       MET  53  -5.925   2.704  -2.964
  403   2HG   MET  53          2HG       MET  53  -6.501   4.232  -2.264
  404   1HE   MET  53          1HE       MET  53  -6.873   0.522  -0.608
  405   2HE   MET  53          2HE       MET  53  -5.463   0.665  -1.684
  406   3HE   MET  53          3HE       MET  53  -5.242   0.527   0.089
  407    HA   PRO  54           HA       PRO  54  -9.804   2.403  -7.287
  408   1HB   PRO  54          1HB       PRO  54  -7.658   1.482  -8.729
  409   2HB   PRO  54          2HB       PRO  54  -8.073   3.215  -8.581
  410   1HG   PRO  54          1HG       PRO  54  -6.072   1.662  -6.921
  411   2HG   PRO  54          2HG       PRO  54  -5.808   3.221  -7.759
  412   1HD   PRO  54          1HD       PRO  54  -6.414   3.108  -5.139
  413   2HD   PRO  54          2HD       PRO  54  -7.113   4.390  -6.172
  414    HA   PRO  55           HA       PRO  55 -10.095  -1.886  -5.843
  415   1HB   PRO  55          1HB       PRO  55 -11.420  -3.042  -7.905
  416   2HB   PRO  55          2HB       PRO  55 -12.202  -1.894  -6.783
  417   1HG   PRO  55          1HG       PRO  55 -11.025  -1.277  -9.506
  418   2HG   PRO  55          2HG       PRO  55 -12.645  -0.832  -8.889
  419   1HD   PRO  55          1HD       PRO  55 -10.566   0.903  -8.815
  420   2HD   PRO  55          2HD       PRO  55 -11.725   0.831  -7.450
  421    H    GLY  56           H        GLY  56  -8.301  -3.218  -5.676
  422   1HA   GLY  56          1HA       GLY  56  -6.674  -4.607  -6.647
  423   2HA   GLY  56          2HA       GLY  56  -7.060  -3.995  -8.205
  424    H    GLY  57           H        GLY  57  -6.641  -1.387  -5.959
  425   1HA   GLY  57          1HA       GLY  57  -4.924   0.055  -5.508
  426   2HA   GLY  57          2HA       GLY  57  -3.871  -1.350  -5.585
  427    H    MET  58           H        MET  58  -5.532  -0.682  -8.501
  428    HA   MET  58           HA       MET  58  -4.766  -0.475 -10.582
  429   1HB   MET  58          1HB       MET  58  -5.287   1.879  -9.517
  430   2HB   MET  58          2HB       MET  58  -3.583   2.196  -9.850
  431   1HG   MET  58          1HG       MET  58  -4.108   1.458 -12.266
  432   2HG   MET  58          2HG       MET  58  -5.806   1.365 -11.763
  433   1HE   MET  58          1HE       MET  58  -5.304   2.870 -14.254
  434   2HE   MET  58          2HE       MET  58  -6.881   2.992 -13.426
  435   3HE   MET  58          3HE       MET  58  -6.054   4.464 -13.987
  436    H    CYS  59           H        CYS  59  -3.008  -2.113  -9.369
  437    HA   CYS  59           HA       CYS  59  -0.363  -1.408 -10.619
  438   1HB   CYS  59          1HB       CYS  59   0.536  -3.146  -8.943
  439   2HB   CYS  59          2HB       CYS  59   0.047  -1.573  -8.327
  440    H    THR  60           H        THR  60  -2.716  -2.650 -11.971
  441    HA   THR  60           HA       THR  60  -3.043  -4.185 -13.586
  442    HB   THR  60           HB       THR  60  -0.058  -4.775 -13.621
  443    HG1  THR  60           HG1      THR  60  -0.050  -2.902 -15.042
  444   1HG2  THR  60          1HG2      THR  60  -1.628  -5.937 -15.280
  445   2HG2  THR  60          2HG2      THR  60  -2.101  -4.337 -15.857
  446   3HG2  THR  60          3HG2      THR  60  -0.424  -4.890 -16.038
  447    H    ASP  61           H        ASP  61  -0.859  -6.684 -13.469
  448    HA   ASP  61           HA       ASP  61  -2.696  -8.454 -12.116
  449   1HB   ASP  61          1HB       ASP  61   0.003  -8.806 -13.487
  450   2HB   ASP  61          2HB       ASP  61  -0.941 -10.132 -12.794
  451    H    CYS  62           H        CYS  62  -2.256  -6.877 -10.199
  452    HA   CYS  62           HA       CYS  62   0.025  -7.105  -8.562
  453   1HB   CYS  62          1HB       CYS  62  -2.710  -6.788  -7.377
  454   2HB   CYS  62          2HB       CYS  62  -1.177  -6.077  -6.846
  455    H    THR  63           H        THR  63   0.875  -9.224  -8.143
  456    HA   THR  63           HA       THR  63  -0.938 -11.286  -7.014
  457    HB   THR  63           HB       THR  63   0.535 -12.107  -8.695
  458    HG1  THR  63           HG1      THR  63   1.869 -13.522  -7.172
  459   1HG2  THR  63          1HG2      THR  63   2.379 -10.426  -8.599
  460   2HG2  THR  63          2HG2      THR  63   2.922 -11.130  -7.077
  461   3HG2  THR  63          3HG2      THR  63   2.961 -12.085  -8.559
  462    H    ASP  64           H        ASP  64  -1.054 -11.611  -4.832
  463    HA   ASP  64           HA       ASP  64  -0.296  -9.975  -2.828
  464   1HB   ASP  64          1HB       ASP  64  -0.706 -12.951  -3.012
  465   2HB   ASP  64          2HB       ASP  64  -0.404 -12.127  -1.481
  466    H    GLU  65           H        GLU  65   1.807 -12.475  -4.220
  467    HA   GLU  65           HA       GLU  65   4.080 -12.437  -2.581
  468   1HB   GLU  65          1HB       GLU  65   4.024 -12.433  -5.624
  469   2HB   GLU  65          2HB       GLU  65   5.325 -13.016  -4.597
  470   1HG   GLU  65          1HG       GLU  65   3.859 -14.833  -3.744
  471   2HG   GLU  65          2HG       GLU  65   2.519 -14.247  -4.745
  472    H    ASP  66           H        ASP  66   3.422 -10.158  -5.344
  473    HA   ASP  66           HA       ASP  66   5.739  -8.487  -4.587
  474   1HB   ASP  66          1HB       ASP  66   3.631  -8.195  -6.772
  475   2HB   ASP  66          2HB       ASP  66   5.117  -7.238  -6.601
  476    H    TYR  67           H        TYR  67   2.215  -8.475  -4.479
  477    HA   TYR  67           HA       TYR  67   1.723  -5.801  -3.857
  478   1HB   TYR  67          1HB       TYR  67   0.256  -8.124  -4.147
  479   2HB   TYR  67          2HB       TYR  67   0.041  -7.838  -2.429
  480    HD1  TYR  67           HD1      TYR  67   0.019  -4.583  -3.088
  481    HD2  TYR  67           HD2      TYR  67  -2.137  -8.114  -4.334
  482    HE1  TYR  67           HE1      TYR  67  -1.734  -3.172  -4.124
  483    HE2  TYR  67           HE2      TYR  67  -3.939  -6.665  -5.249
  484    HH   TYR  67           HH       TYR  67  -3.888  -4.087  -6.312
  485    H    LYS  68           H        LYS  68   2.493  -8.513  -1.720
  486    HA   LYS  68           HA       LYS  68   2.214  -7.014   0.750
  487   1HB   LYS  68          1HB       LYS  68   2.547  -8.906   1.904
  488   2HB   LYS  68          2HB       LYS  68   1.797  -9.524   0.436
  489   1HG   LYS  68          1HG       LYS  68   4.148 -10.110  -0.384
  490   2HG   LYS  68          2HG       LYS  68   4.757  -9.569   1.206
  491   1HD   LYS  68          1HD       LYS  68   3.111 -11.219   2.251
  492   2HD   LYS  68          2HD       LYS  68   2.863 -11.864   0.613
  493   1HE   LYS  68          1HE       LYS  68   5.375 -12.207   0.441
  494   2HE   LYS  68          2HE       LYS  68   5.539 -11.604   2.102
  495   1HZ   LYS  68          1HZ       LYS  68   4.116 -13.415   2.817
  496   2HZ   LYS  68          2HZ       LYS  68   4.049 -14.009   1.282
  497   3HZ   LYS  68          3HZ       LYS  68   5.487 -13.982   2.093
  498    H    ALA  69           H        ALA  69   4.939  -8.302  -1.255
  499    HA   ALA  69           HA       ALA  69   7.125  -7.343   0.179
  500   1HB   ALA  69          1HB       ALA  69   7.168  -8.670  -1.962
  501   2HB   ALA  69          2HB       ALA  69   6.801  -7.157  -2.833
  502   3HB   ALA  69          3HB       ALA  69   8.303  -7.308  -1.912
  503    H    ALA  70           H        ALA  70   4.939  -5.575  -1.974
  504    HA   ALA  70           HA       ALA  70   6.386  -3.101  -2.055
  505   1HB   ALA  70          1HB       ALA  70   4.666  -3.698  -3.683
  506   2HB   ALA  70          2HB       ALA  70   3.407  -3.514  -2.439
  507   3HB   ALA  70          3HB       ALA  70   4.379  -2.116  -2.943
  508    H    ILE  71           H        ILE  71   3.611  -4.053   0.137
  509    HA   ILE  71           HA       ILE  71   3.861  -1.572   1.613
  510    HB   ILE  71           HB       ILE  71   2.271  -2.714   3.089
  511   1HG1  ILE  71          1HG1      ILE  71   2.115  -4.890   1.028
  512   2HG1  ILE  71          2HG1      ILE  71   2.850  -5.071   2.637
  513   1HG2  ILE  71          1HG2      ILE  71   1.674  -1.195   1.281
  514   2HG2  ILE  71          2HG2      ILE  71   1.599  -2.548   0.124
  515   3HG2  ILE  71          3HG2      ILE  71   0.415  -2.420   1.436
  516   1HD1  ILE  71          1HD1      ILE  71   0.619  -4.473   3.636
  517   2HD1  ILE  71          2HD1      ILE  71  -0.076  -4.510   2.004
  518   3HD1  ILE  71          3HD1      ILE  71   0.641  -5.975   2.694
  519    H    GLU  72           H        GLU  72   5.139  -4.777   1.926
  520    HA   GLU  72           HA       GLU  72   6.391  -4.460   4.505
  521   1HB   GLU  72          1HB       GLU  72   7.119  -6.270   2.195
  522   2HB   GLU  72          2HB       GLU  72   7.995  -6.188   3.727
  523   1HG   GLU  72          1HG       GLU  72   5.667  -6.598   4.859
  524   2HG   GLU  72          2HG       GLU  72   5.176  -7.193   3.275
  525    H    PHE  73           H        PHE  73   7.431  -3.554   1.218
  526    HA   PHE  73           HA       PHE  73  10.009  -2.678   1.810
  527   1HB   PHE  73          1HB       PHE  73   8.807  -2.732  -0.432
  528   2HB   PHE  73          2HB       PHE  73   8.093  -1.184   0.001
  529    HD1  PHE  73           HD1      PHE  73  11.112  -2.892  -1.142
  530    HD2  PHE  73           HD2      PHE  73   9.513   0.850   0.288
  531    HE1  PHE  73           HE1      PHE  73  13.110  -1.700  -2.009
  532    HE2  PHE  73           HE2      PHE  73  11.514   2.034  -0.589
  533    HZ   PHE  73           HZ       PHE  73  13.290   0.766  -1.771
  534    H    MET  74           H        MET  74   6.956  -0.863   2.366
  535    HA   MET  74           HA       MET  74   8.302   1.544   3.226
  536   1HB   MET  74          1HB       MET  74   5.481   0.531   3.631
  537   2HB   MET  74          2HB       MET  74   6.054   2.107   4.206
  538   1HG   MET  74          1HG       MET  74   5.008   2.671   2.265
  539   2HG   MET  74          2HG       MET  74   6.668   2.541   1.691
  540   1HE   MET  74          1HE       MET  74   3.030   1.788   1.042
  541   2HE   MET  74          2HE       MET  74   4.017   2.661  -0.168
  542   3HE   MET  74          3HE       MET  74   3.298   1.076  -0.554
  543    H    SER  75           H        SER  75   6.253  -0.650   5.199
  544    HA   SER  75           HA       SER  75   8.244  -0.871   7.306
  545   1HB   SER  75          1HB       SER  75   7.378   1.535   7.574
  546   2HB   SER  75          2HB       SER  75   5.841   0.816   8.081
  547    HG   SER  75           HG       SER  75   7.186   1.209   9.882
  548    H    LYS  76           H        LYS  76   6.548  -2.636   5.767
  549    HA   LYS  76           HA       LYS  76   4.902  -4.241   5.960
  550   1HB   LYS  76          1HB       LYS  76   5.775  -6.081   7.235
  551   2HB   LYS  76          2HB       LYS  76   7.112  -5.195   6.494
  552   1HG   LYS  76          1HG       LYS  76   7.485  -4.035   8.724
  553   2HG   LYS  76          2HG       LYS  76   6.276  -5.109   9.418
  554   1HD   LYS  76          1HD       LYS  76   7.931  -6.575   9.788
  555   2HD   LYS  76          2HD       LYS  76   7.880  -6.912   8.049
  556   1HE   LYS  76          1HE       LYS  76   9.575  -5.101   7.670
  557   2HE   LYS  76          2HE       LYS  76   9.630  -4.798   9.416
  558   1HZ   LYS  76          1HZ       LYS  76  10.394  -7.076   9.710
  559   2HZ   LYS  76          2HZ       LYS  76  10.373  -7.322   8.083
  560   3HZ   LYS  76          3HZ       LYS  76  11.422  -6.235   8.740
  561    H    ALA  77           H        ALA  77   3.510  -2.301   6.805
  562    HA   ALA  77           HA       ALA  77   1.976  -3.409   9.128
  563   1HB   ALA  77          1HB       ALA  77   3.494  -1.248   9.501
  564   2HB   ALA  77          2HB       ALA  77   2.074  -0.442   8.775
  565   3HB   ALA  77          3HB       ALA  77   1.892  -1.420  10.213
  566    H    LYS  78           H        LYS  78   1.756  -1.202   6.350
  567    HA   LYS  78           HA       LYS  78  -1.058  -2.030   5.993
  568   1HB   LYS  78          1HB       LYS  78  -1.835   0.202   5.744
  569   2HB   LYS  78          2HB       LYS  78  -1.077   0.002   7.281
  570   1HG   LYS  78          1HG       LYS  78   0.594   1.514   6.861
  571   2HG   LYS  78          2HG       LYS  78   0.617   1.212   5.119
  572   1HD   LYS  78          1HD       LYS  78  -1.470   2.477   4.784
  573   2HD   LYS  78          2HD       LYS  78  -1.670   2.599   6.540
  574   1HE   LYS  78          1HE       LYS  78  -0.819   4.624   5.977
  575   2HE   LYS  78          2HE       LYS  78   0.584   3.803   6.624
  576   1HZ   LYS  78          1HZ       LYS  78   1.141   3.230   4.283
  577   2HZ   LYS  78          2HZ       LYS  78  -0.035   4.222   3.757
  578   3HZ   LYS  78          3HZ       LYS  78   1.253   4.851   4.577
  579    HHA  HEC  90           HHA      HEC  90  -5.860   4.141   3.645
  580    HHB  HEC  90           HHB      HEC  90  -1.532   0.122   1.170
  581    HHC  HEC  90           HHC      HEC  90  -2.258   2.927  -4.575
  582    HHD  HEC  90           HHD      HEC  90  -5.754   7.608  -1.765
  583   1HMA  HEC  90          1HMA      HEC  90  -3.075  -0.995   2.723
  584   2HMA  HEC  90          2HMA      HEC  90  -1.804  -0.062   3.530
  585   3HMA  HEC  90          3HMA      HEC  90  -3.327  -0.454   4.386
  586   1HAA  HEC  90          1HAA      HEC  90  -4.949   2.721   5.332
  587   2HAA  HEC  90          2HAA      HEC  90  -4.552   1.016   5.375
  588   1HBA  HEC  90          1HBA      HEC  90  -7.026   2.258   4.124
  589   2HBA  HEC  90          2HBA      HEC  90  -6.944   1.339   5.616
  590   1HMB  HEC  90          1HMB      HEC  90  -0.573  -1.318  -0.676
  591   2HMB  HEC  90          2HMB      HEC  90   0.625  -0.720  -1.826
  592   3HMB  HEC  90          3HMB      HEC  90   0.540  -0.015  -0.230
  593    HAB  HEC  90           HAB      HEC  90  -0.710   1.519  -4.777
  594   1HBB  HEC  90          1HBB      HEC  90  -1.693  -0.729  -4.679
  595   2HBB  HEC  90          2HBB      HEC  90  -0.056  -0.718  -5.362
  596   3HBB  HEC  90          3HBB      HEC  90  -0.319  -1.293  -3.711
  597   1HMC  HEC  90          1HMC      HEC  90  -4.190   4.988  -6.505
  598   2HMC  HEC  90          2HMC      HEC  90  -2.811   6.068  -6.143
  599   3HMC  HEC  90          3HMC      HEC  90  -2.628   4.346  -6.060
  600    HAC  HEC  90           HAC      HEC  90  -6.150   7.499  -4.160
  601   1HBC  HEC  90          1HBC      HEC  90  -5.527   6.719  -6.429
  602   2HBC  HEC  90          2HBC      HEC  90  -5.689   8.467  -6.252
  603   3HBC  HEC  90          3HBC      HEC  90  -4.078   7.782  -6.324
  604   1HMD  HEC  90          1HMD      HEC  90  -7.788   8.293   0.163
  605   2HMD  HEC  90          2HMD      HEC  90  -7.016   8.926   1.631
  606   3HMD  HEC  90          3HMD      HEC  90  -6.197   9.054   0.077
  607   1HAD  HEC  90          1HAD      HEC  90  -7.897   5.687   3.279
  608   2HAD  HEC  90          2HAD      HEC  90  -7.728   7.426   3.182
  609   1HBD  HEC  90          1HBD      HEC  90  -6.392   7.510   5.027
  610   2HBD  HEC  90          2HBD      HEC  90  -5.369   6.202   4.430
  Start of MODEL   29
    1   1H    ALA  -3          1H        ALA  -3   2.901  -2.266 -13.115
    2   2H    ALA  -3          2H        ALA  -3   2.022  -1.193 -14.010
    3   3H    ALA  -3          3H        ALA  -3   1.634  -2.791 -14.021
    4    HA   ALA  -3           HA       ALA  -3   2.752  -2.183 -16.046
    5   1HB   ALA  -3          1HB       ALA  -3   4.106  -0.353 -15.268
    6   2HB   ALA  -3          2HB       ALA  -3   4.991  -1.392 -14.139
    7   3HB   ALA  -3          3HB       ALA  -3   5.185  -1.610 -15.892
    8    H    ASP  -2           H        ASP  -2   5.070  -3.523 -13.672
    9    HA   ASP  -2           HA       ASP  -2   4.561  -6.296 -14.529
   10   1HB   ASP  -2          1HB       ASP  -2   7.029  -6.292 -14.940
   11   2HB   ASP  -2          2HB       ASP  -2   6.161  -5.198 -16.018
   12    H    LEU  -1           H        LEU  -1   4.458  -7.595 -12.780
   13    HA   LEU  -1           HA       LEU  -1   5.400  -6.763 -10.128
   14   1HB   LEU  -1          1HB       LEU  -1   4.113  -9.291 -11.237
   15   2HB   LEU  -1          2HB       LEU  -1   4.710  -9.189  -9.580
   16    HG   LEU  -1           HG       LEU  -1   2.299  -8.876  -9.779
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.061  -8.128  -7.767
   18   2HD1  LEU  -1          2HD1      LEU  -1   4.077  -6.853  -8.456
   19   3HD1  LEU  -1          3HD1      LEU  -1   2.340  -6.640  -8.369
   20   1HD2  LEU  -1          1HD2      LEU  -1   2.852  -6.176 -11.051
   21   2HD2  LEU  -1          2HD2      LEU  -1   2.192  -7.600 -11.886
   22   3HD2  LEU  -1          3HD2      LEU  -1   1.292  -6.839 -10.571
   23    H    GLN   1           H        GLN   1   7.494  -6.352 -11.229
   24    HA   GLN   1           HA       GLN   1   9.299  -8.710 -10.924
   25   1HB   GLN   1          1HB       GLN   1   9.093  -6.462 -12.869
   26   2HB   GLN   1          2HB       GLN   1  10.692  -6.510 -12.157
   27   1HG   GLN   1          1HG       GLN   1   9.327  -8.934 -13.413
   28   2HG   GLN   1          2HG       GLN   1  10.421  -7.849 -14.284
   29   1HE2  GLN   1          1HE2      GLN   1  12.637  -7.483 -13.123
   30   2HE2  GLN   1          2HE2      GLN   1  13.352  -8.952 -12.465
   31    H    ASP   2           H        ASP   2   8.576  -5.512  -9.776
   32    HA   ASP   2           HA       ASP   2  10.278  -5.986  -7.478
   33   1HB   ASP   2          1HB       ASP   2  11.850  -4.902  -9.075
   34   2HB   ASP   2          2HB       ASP   2  10.768  -3.501  -9.173
   35    H    ALA   3           H        ALA   3   8.829  -5.727  -5.951
   36    HA   ALA   3           HA       ALA   3   6.505  -4.203  -6.056
   37   1HB   ALA   3          1HB       ALA   3   7.123  -6.006  -4.474
   38   2HB   ALA   3          2HB       ALA   3   8.032  -4.790  -3.521
   39   3HB   ALA   3          3HB       ALA   3   6.279  -4.599  -3.832
   40    H    GLU   4           H        GLU   4   9.821  -3.027  -5.391
   41    HA   GLU   4           HA       GLU   4   9.085  -0.443  -4.350
   42   1HB   GLU   4          1HB       GLU   4  11.347  -1.072  -4.163
   43   2HB   GLU   4          2HB       GLU   4  11.530  -1.360  -5.895
   44   1HG   GLU   4          1HG       GLU   4  11.368   0.974  -6.414
   45   2HG   GLU   4          2HG       GLU   4  10.774   1.377  -4.794
   46    H    ALA   5           H        ALA   5   9.381  -1.811  -7.632
   47    HA   ALA   5           HA       ALA   5   8.962   0.757  -8.963
   48   1HB   ALA   5          1HB       ALA   5  10.241  -1.059 -10.032
   49   2HB   ALA   5          2HB       ALA   5   8.780  -2.072 -10.085
   50   3HB   ALA   5          3HB       ALA   5   8.840  -0.557 -11.002
   51    H    ILE   6           H        ILE   6   6.963  -2.026  -7.981
   52    HA   ILE   6           HA       ILE   6   4.537  -1.106  -9.220
   53    HB   ILE   6           HB       ILE   6   5.038  -2.764  -6.735
   54   1HG1  ILE   6          1HG1      ILE   6   5.841  -3.699  -8.945
   55   2HG1  ILE   6          2HG1      ILE   6   4.696  -4.697  -8.059
   56   1HG2  ILE   6          1HG2      ILE   6   2.803  -1.950  -6.439
   57   2HG2  ILE   6          2HG2      ILE   6   2.392  -2.253  -8.136
   58   3HG2  ILE   6          3HG2      ILE   6   2.680  -3.609  -7.022
   59   1HD1  ILE   6          1HD1      ILE   6   2.878  -4.058  -9.560
   60   2HD1  ILE   6          2HD1      ILE   6   3.913  -2.862 -10.380
   61   3HD1  ILE   6          3HD1      ILE   6   4.275  -4.580 -10.507
   62    H    TYR   7           H        TYR   7   5.735  -0.563  -5.786
   63    HA   TYR   7           HA       TYR   7   3.444   1.103  -5.395
   64   1HB   TYR   7          1HB       TYR   7   4.023   1.356  -3.224
   65   2HB   TYR   7          2HB       TYR   7   4.981  -0.061  -3.602
   66    HD1  TYR   7           HD1      TYR   7   7.296   0.000  -3.136
   67    HD2  TYR   7           HD2      TYR   7   5.069   3.678  -3.258
   68    HE1  TYR   7           HE1      TYR   7   9.403   1.301  -2.833
   69    HE2  TYR   7           HE2      TYR   7   7.152   4.961  -2.884
   70    HH   TYR   7           HH       TYR   7   9.436   4.854  -2.855
   71    H    ASN   8           H        ASN   8   6.761   1.837  -6.345
   72    HA   ASN   8           HA       ASN   8   6.519   4.656  -6.279
   73   1HB   ASN   8          1HB       ASN   8   8.591   3.283  -6.111
   74   2HB   ASN   8          2HB       ASN   8   8.422   2.869  -7.834
   75   1HD2  ASN   8          1HD2      ASN   8  10.467   3.778  -8.294
   76   2HD2  ASN   8          2HD2      ASN   8  10.687   5.521  -8.258
   77    H    LYS   9           H        LYS   9   5.585   2.318  -8.787
   78    HA   LYS   9           HA       LYS   9   4.878   4.509 -10.625
   79   1HB   LYS   9          1HB       LYS   9   5.906   2.479 -11.444
   80   2HB   LYS   9          2HB       LYS   9   4.557   1.501 -10.871
   81   1HG   LYS   9          1HG       LYS   9   3.911   3.852 -12.633
   82   2HG   LYS   9          2HG       LYS   9   4.798   2.531 -13.396
   83   1HD   LYS   9          1HD       LYS   9   3.038   1.070 -13.325
   84   2HD   LYS   9          2HD       LYS   9   2.521   1.595 -11.725
   85   1HE   LYS   9          1HE       LYS   9   0.754   2.145 -13.218
   86   2HE   LYS   9          2HE       LYS   9   1.505   3.624 -12.625
   87   1HZ   LYS   9          1HZ       LYS   9   2.727   3.766 -14.710
   88   2HZ   LYS   9          2HZ       LYS   9   1.974   2.422 -15.285
   89   3HZ   LYS   9          3HZ       LYS   9   1.105   3.778 -14.965
   90    H    ALA  10           H        ALA  10   3.243   2.562  -8.167
   91    HA   ALA  10           HA       ALA  10   0.555   3.428  -9.215
   92   1HB   ALA  10          1HB       ALA  10   0.928   0.993  -9.186
   93   2HB   ALA  10          2HB       ALA  10   1.187   1.058  -7.429
   94   3HB   ALA  10          3HB       ALA  10  -0.381   1.511  -8.108
   95    H    CYS  11           H        CYS  11   1.983   2.624  -6.001
   96    HA   CYS  11           HA       CYS  11   0.076   4.322  -4.597
   97   1HB   CYS  11          1HB       CYS  11   2.480   3.222  -3.255
   98   2HB   CYS  11          2HB       CYS  11   0.818   3.297  -2.688
   99    H    THR  12           H        THR  12   1.452   5.832  -6.453
  100    HA   THR  12           HA       THR  12   3.503   7.414  -4.953
  101    HB   THR  12           HB       THR  12   4.372   5.813  -6.715
  102    HG1  THR  12           HG1      THR  12   4.676   8.512  -7.382
  103   1HG2  THR  12          1HG2      THR  12   2.460   6.065  -8.339
  104   2HG2  THR  12          2HG2      THR  12   2.928   7.747  -8.635
  105   3HG2  THR  12          3HG2      THR  12   4.004   6.451  -9.104
  106    H    VAL  13           H        VAL  13   0.520   7.690  -5.996
  107    HA   VAL  13           HA       VAL  13   0.773  10.404  -7.202
  108    HB   VAL  13           HB       VAL  13  -1.634   8.544  -6.933
  109   1HG1  VAL  13          1HG1      VAL  13  -2.167  10.919  -7.265
  110   2HG1  VAL  13          2HG1      VAL  13  -1.040  10.982  -8.642
  111   3HG1  VAL  13          3HG1      VAL  13  -2.521   9.993  -8.739
  112   1HG2  VAL  13          1HG2      VAL  13   0.308   8.869  -9.262
  113   2HG2  VAL  13          2HG2      VAL  13   0.012   7.385  -8.330
  114   3HG2  VAL  13          3HG2      VAL  13  -1.263   8.046  -9.352
  115    H    CYS  14           H        CYS  14  -0.646   8.536  -4.609
  116    HA   CYS  14           HA       CYS  14  -1.727  10.890  -3.203
  117   1HB   CYS  14          1HB       CYS  14  -2.243   7.933  -2.939
  118   2HB   CYS  14          2HB       CYS  14  -3.239   9.256  -2.285
  119    H    HIS  15           H        HIS  15  -0.104   7.777  -2.403
  120    HA   HIS  15           HA       HIS  15   0.438   8.566   0.306
  121   1HB   HIS  15          1HB       HIS  15   1.368   6.264  -1.451
  122   2HB   HIS  15          2HB       HIS  15   1.884   6.446   0.218
  123    HD1  HIS  15           HD1      HIS  15   0.493   5.271   1.906
  124    HD2  HIS  15           HD2      HIS  15  -1.411   5.914  -1.763
  125    HE1  HIS  15           HE1      HIS  15  -1.656   3.917   1.997
  126    H    SER  16           H        SER  16   2.242   8.949  -2.614
  127    HA   SER  16           HA       SER  16   4.923   8.941  -1.698
  128   1HB   SER  16          1HB       SER  16   3.487   9.897  -4.082
  129   2HB   SER  16          2HB       SER  16   4.884  10.904  -3.703
  130    HG   SER  16           HG       SER  16   5.318   8.939  -5.018
  131    H    MET  17           H        MET  17   2.662  11.649  -2.005
  132    HA   MET  17           HA       MET  17   4.373  13.322  -0.226
  133   1HB   MET  17          1HB       MET  17   3.785  13.873  -2.726
  134   2HB   MET  17          2HB       MET  17   2.219  14.356  -2.079
  135   1HG   MET  17          1HG       MET  17   3.118  16.351  -1.523
  136   2HG   MET  17          2HG       MET  17   4.248  15.564  -0.419
  137   1HE   MET  17          1HE       MET  17   4.856  18.326  -1.731
  138   2HE   MET  17          2HE       MET  17   6.027  17.466  -0.692
  139   3HE   MET  17          3HE       MET  17   6.538  18.104  -2.275
  140    H    GLY  18           H        GLY  18   1.217  11.780  -0.492
  141   1HA   GLY  18          1HA       GLY  18  -0.308  11.537   1.232
  142   2HA   GLY  18          2HA       GLY  18   0.348  12.917   2.107
  143    H    VAL  19           H        VAL  19  -1.206  12.194  -1.040
  144    HA   VAL  19           HA       VAL  19  -2.840  14.697  -0.878
  145    HB   VAL  19           HB       VAL  19  -2.156  13.058  -3.349
  146   1HG1  VAL  19          1HG1      VAL  19  -4.220  14.282  -3.716
  147   2HG1  VAL  19          2HG1      VAL  19  -3.525  15.756  -2.991
  148   3HG1  VAL  19          3HG1      VAL  19  -2.922  15.133  -4.537
  149   1HG2  VAL  19          1HG2      VAL  19  -0.961  15.660  -2.309
  150   2HG2  VAL  19          2HG2      VAL  19  -0.116  14.108  -2.504
  151   3HG2  VAL  19          3HG2      VAL  19  -0.680  14.981  -3.927
  152    H    ALA  20           H        ALA  20  -5.064  14.489  -1.700
  153    HA   ALA  20           HA       ALA  20  -7.178  13.664  -1.419
  154   1HB   ALA  20          1HB       ALA  20  -6.415  12.223  -3.304
  155   2HB   ALA  20          2HB       ALA  20  -5.952  10.973  -2.130
  156   3HB   ALA  20          3HB       ALA  20  -7.649  11.453  -2.288
  157    H    GLY  21           H        GLY  21  -5.271  13.600   0.895
  158   1HA   GLY  21          1HA       GLY  21  -5.507  13.185   3.168
  159   2HA   GLY  21          2HA       GLY  21  -6.955  12.221   2.862
  160    H    ALA  22           H        ALA  22  -4.285  11.216   0.876
  161    HA   ALA  22           HA       ALA  22  -4.143   8.698   2.196
  162   1HB   ALA  22          1HB       ALA  22  -3.832   9.029  -0.203
  163   2HB   ALA  22          2HB       ALA  22  -2.335   9.940   0.095
  164   3HB   ALA  22          3HB       ALA  22  -2.414   8.213   0.471
  165    HA   PRO  23           HA       PRO  23  -1.062   9.511   5.275
  166   1HB   PRO  23          1HB       PRO  23  -0.093   7.054   5.822
  167   2HB   PRO  23          2HB       PRO  23  -1.841   7.401   6.023
  168   1HG   PRO  23          1HG       PRO  23  -0.495   6.191   3.601
  169   2HG   PRO  23          2HG       PRO  23  -1.881   5.502   4.485
  170   1HD   PRO  23          1HD       PRO  23  -2.315   6.967   2.300
  171   2HD   PRO  23          2HD       PRO  23  -3.365   7.149   3.731
  172    H    LYS  24           H        LYS  24   1.336   9.356   5.710
  173    HA   LYS  24           HA       LYS  24   2.757  10.033   3.276
  174   1HB   LYS  24          1HB       LYS  24   3.761   9.647   6.105
  175   2HB   LYS  24          2HB       LYS  24   4.712  10.331   4.785
  176   1HG   LYS  24          1HG       LYS  24   3.158  12.199   4.519
  177   2HG   LYS  24          2HG       LYS  24   2.051  11.492   5.699
  178   1HD   LYS  24          1HD       LYS  24   4.129  11.613   7.335
  179   2HD   LYS  24          2HD       LYS  24   4.736  12.802   6.176
  180   1HE   LYS  24          1HE       LYS  24   2.559  14.071   6.405
  181   2HE   LYS  24          2HE       LYS  24   1.996  12.864   7.569
  182   1HZ   LYS  24          1HZ       LYS  24   3.866  13.478   8.990
  183   2HZ   LYS  24          2HZ       LYS  24   4.293  14.670   7.939
  184   3HZ   LYS  24          3HZ       LYS  24   2.847  14.741   8.721
  185    H    SER  25           H        SER  25   4.074   8.879   2.047
  186    HA   SER  25           HA       SER  25   4.513   6.325   1.645
  187   1HB   SER  25          1HB       SER  25   5.554   8.212   0.436
  188   2HB   SER  25          2HB       SER  25   6.772   8.371   1.711
  189    HG   SER  25           HG       SER  25   7.341   7.016  -0.192
  190    H    HIS  26           H        HIS  26   6.033   7.948   4.406
  191    HA   HIS  26           HA       HIS  26   6.452   5.371   5.670
  192   1HB   HIS  26          1HB       HIS  26   8.699   5.800   6.432
  193   2HB   HIS  26          2HB       HIS  26   8.663   5.731   4.671
  194    HD1  HIS  26           HD1      HIS  26   8.607   8.330   3.491
  195    HD2  HIS  26           HD2      HIS  26   9.828   7.919   7.494
  196    HE1  HIS  26           HE1      HIS  26   9.780  10.514   4.129
  197    H    ASN  27           H        ASN  27   5.298   5.603   7.474
  198    HA   ASN  27           HA       ASN  27   5.818   7.891   9.226
  199   1HB   ASN  27          1HB       ASN  27   3.212   7.348   7.879
  200   2HB   ASN  27          2HB       ASN  27   3.074   7.274   9.633
  201   1HD2  ASN  27          1HD2      ASN  27   1.672   9.183   8.143
  202   2HD2  ASN  27          2HD2      ASN  27   2.333  10.719   8.624
  203    H    THR  28           H        THR  28   5.348   7.296  11.477
  204    HA   THR  28           HA       THR  28   5.204   4.312  11.880
  205    HB   THR  28           HB       THR  28   7.237   5.392  12.690
  206    HG1  THR  28           HG1      THR  28   6.978   4.516  14.814
  207   1HG2  THR  28          1HG2      THR  28   6.278   7.629  13.382
  208   2HG2  THR  28          2HG2      THR  28   5.453   6.804  14.729
  209   3HG2  THR  28          3HG2      THR  28   7.219   6.830  14.647
  210    H    ALA  29           H        ALA  29   3.723   7.449  12.851
  211    HA   ALA  29           HA       ALA  29   1.908   6.251  14.694
  212   1HB   ALA  29          1HB       ALA  29   2.523   8.608  14.710
  213   2HB   ALA  29          2HB       ALA  29   1.674   8.846  13.156
  214   3HB   ALA  29          3HB       ALA  29   0.761   8.378  14.612
  215    H    ASP  30           H        ASP  30   1.578   6.898  11.188
  216    HA   ASP  30           HA       ASP  30  -1.246   6.224  11.131
  217   1HB   ASP  30          1HB       ASP  30   0.678   6.306   8.773
  218   2HB   ASP  30          2HB       ASP  30  -1.081   6.534   8.796
  219    H    TRP  31           H        TRP  31   1.726   4.491  11.004
  220    HA   TRP  31           HA       TRP  31   0.608   2.080   9.705
  221   1HB   TRP  31          1HB       TRP  31   3.385   2.995  10.389
  222   2HB   TRP  31          2HB       TRP  31   3.010   1.364   9.772
  223    HD1  TRP  31           HD1      TRP  31   2.815   5.110   8.704
  224    HE1  TRP  31           HE1      TRP  31   2.854   5.367   6.195
  225    HE3  TRP  31           HE3      TRP  31   2.978   0.147   7.400
  226    HZ2  TRP  31           HZ2      TRP  31   2.815   3.684   3.897
  227    HZ3  TRP  31           HZ3      TRP  31   2.935  -0.458   4.985
  228    HH2  TRP  31           HH2      TRP  31   2.677   1.277   3.274
  229    H    GLU  32           H        GLU  32   1.830   3.243  12.904
  230    HA   GLU  32           HA       GLU  32   1.983   0.941  14.375
  231   1HB   GLU  32          1HB       GLU  32   1.192   3.760  14.906
  232   2HB   GLU  32          2HB       GLU  32   0.687   2.605  16.143
  233   1HG   GLU  32          1HG       GLU  32   3.548   2.522  15.166
  234   2HG   GLU  32          2HG       GLU  32   3.026   3.761  16.310
  235    HA   PRO  33           HA       PRO  33  -2.606   0.346  15.295
  236   1HB   PRO  33          1HB       PRO  33  -4.596   1.922  14.284
  237   2HB   PRO  33          2HB       PRO  33  -3.579   2.430  15.657
  238   1HG   PRO  33          1HG       PRO  33  -3.184   3.163  12.736
  239   2HG   PRO  33          2HG       PRO  33  -3.252   4.263  14.142
  240   1HD   PRO  33          1HD       PRO  33  -0.909   3.364  13.117
  241   2HD   PRO  33          2HD       PRO  33  -1.130   3.612  14.877
  242    H    ARG  34           H        ARG  34  -1.203   0.333  12.327
  243    HA   ARG  34           HA       ARG  34  -3.258  -1.424  11.035
  244   1HB   ARG  34          1HB       ARG  34  -1.184   0.527  10.037
  245   2HB   ARG  34          2HB       ARG  34  -1.544  -0.884   9.071
  246   1HG   ARG  34          1HG       ARG  34  -2.777   1.334   8.600
  247   2HG   ARG  34          2HG       ARG  34  -3.694  -0.178   8.553
  248   1HD   ARG  34          1HD       ARG  34  -4.589   0.295  10.784
  249   2HD   ARG  34          2HD       ARG  34  -3.579   1.770  10.865
  250    HE   ARG  34           HE       ARG  34  -5.309   1.791   8.514
  251   1HH1  ARG  34          2HH1      ARG  34  -5.656   1.900  11.968
  252   2HH1  ARG  34          1HH1      ARG  34  -7.635   3.936   9.817
  253   1HH2  ARG  34          1HH2      ARG  34  -6.951   3.137   8.394
  254   2HH2  ARG  34          2HH2      ARG  34  -6.962   3.060  11.947
  255    H    LEU  35           H        LEU  35   0.197  -1.099  11.905
  256    HA   LEU  35           HA       LEU  35   0.888  -3.843  11.358
  257   1HB   LEU  35          1HB       LEU  35   2.269  -1.509  11.650
  258   2HB   LEU  35          2HB       LEU  35   2.453  -2.138  13.279
  259    HG   LEU  35           HG       LEU  35   3.394  -3.260  10.627
  260   1HD1  LEU  35          1HD1      LEU  35   4.753  -1.554  11.756
  261   2HD1  LEU  35          2HD1      LEU  35   4.780  -2.550  13.230
  262   3HD1  LEU  35          3HD1      LEU  35   5.597  -3.121  11.753
  263   1HD2  LEU  35          1HD2      LEU  35   3.663  -4.774  13.228
  264   2HD2  LEU  35          2HD2      LEU  35   2.586  -5.237  11.876
  265   3HD2  LEU  35          3HD2      LEU  35   4.333  -5.202  11.642
  266    H    ALA  36           H        ALA  36  -1.307  -3.078  13.392
  267    HA   ALA  36           HA       ALA  36  -0.396  -4.280  15.944
  268   1HB   ALA  36          1HB       ALA  36  -1.831  -2.287  16.032
  269   2HB   ALA  36          2HB       ALA  36  -3.081  -3.119  15.082
  270   3HB   ALA  36          3HB       ALA  36  -2.666  -3.701  16.711
  271    H    LYS  37           H        LYS  37  -2.141  -5.011  12.989
  272    HA   LYS  37           HA       LYS  37  -3.028  -7.623  14.048
  273   1HB   LYS  37          1HB       LYS  37  -3.665  -6.148  11.460
  274   2HB   LYS  37          2HB       LYS  37  -4.057  -7.850  11.751
  275   1HG   LYS  37          1HG       LYS  37  -6.023  -6.909  12.402
  276   2HG   LYS  37          2HG       LYS  37  -5.186  -7.003  13.951
  277   1HD   LYS  37          1HD       LYS  37  -4.430  -4.532  13.432
  278   2HD   LYS  37          2HD       LYS  37  -5.646  -4.591  12.149
  279   1HE   LYS  37          1HE       LYS  37  -7.331  -5.312  13.956
  280   2HE   LYS  37          2HE       LYS  37  -6.061  -5.018  15.155
  281   1HZ   LYS  37          1HZ       LYS  37  -5.983  -2.706  14.345
  282   2HZ   LYS  37          2HZ       LYS  37  -7.239  -3.017  13.331
  283   3HZ   LYS  37          3HZ       LYS  37  -7.460  -3.107  14.957
  284    H    GLY  38           H        GLY  38  -1.215  -6.370  11.213
  285   1HA   GLY  38          1HA       GLY  38   1.169  -7.541  11.399
  286   2HA   GLY  38          2HA       GLY  38   0.214  -8.958  10.941
  287    H    VAL  39           H        VAL  39   0.339  -9.384   8.853
  288    HA   VAL  39           HA       VAL  39   0.146  -7.235   6.823
  289    HB   VAL  39           HB       VAL  39   1.745  -8.821   5.456
  290   1HG1  VAL  39          1HG1      VAL  39   2.113  -6.496   6.050
  291   2HG1  VAL  39          2HG1      VAL  39   2.679  -6.969   7.664
  292   3HG1  VAL  39          3HG1      VAL  39   3.628  -7.418   6.223
  293   1HG2  VAL  39          1HG2      VAL  39   2.762  -9.448   8.265
  294   2HG2  VAL  39          2HG2      VAL  39   1.918 -10.612   7.219
  295   3HG2  VAL  39          3HG2      VAL  39   3.478  -9.927   6.724
  296    H    ASP  40           H        ASP  40  -0.201  -8.467   4.586
  297    HA   ASP  40           HA       ASP  40  -1.710  -9.558   3.321
  298   1HB   ASP  40          1HB       ASP  40  -1.107 -11.534   4.758
  299   2HB   ASP  40          2HB       ASP  40  -2.607 -11.231   5.663
  300    H    ASN  41           H        ASN  41  -2.900  -8.710   6.547
  301    HA   ASN  41           HA       ASN  41  -5.615  -8.494   6.021
  302   1HB   ASN  41          1HB       ASN  41  -4.547  -6.252   7.744
  303   2HB   ASN  41          2HB       ASN  41  -5.821  -7.396   8.106
  304   1HD2  ASN  41          1HD2      ASN  41  -2.708  -6.408   8.899
  305   2HD2  ASN  41          2HD2      ASN  41  -2.276  -7.856   9.794
  306    H    LEU  42           H        LEU  42  -3.263  -5.931   5.588
  307    HA   LEU  42           HA       LEU  42  -5.273  -4.021   4.593
  308   1HB   LEU  42          1HB       LEU  42  -2.373  -4.019   5.345
  309   2HB   LEU  42          2HB       LEU  42  -3.081  -2.610   4.563
  310    HG   LEU  42           HG       LEU  42  -4.560  -3.800   6.920
  311   1HD1  LEU  42          1HD1      LEU  42  -2.218  -3.775   7.702
  312   2HD1  LEU  42          2HD1      LEU  42  -2.106  -2.062   7.247
  313   3HD1  LEU  42          3HD1      LEU  42  -3.221  -2.576   8.537
  314   1HD2  LEU  42          1HD2      LEU  42  -3.989  -0.898   6.261
  315   2HD2  LEU  42          2HD2      LEU  42  -5.356  -1.780   5.545
  316   3HD2  LEU  42          3HD2      LEU  42  -5.264  -1.548   7.300
  317    H    VAL  43           H        VAL  43  -2.548  -5.973   3.290
  318    HA   VAL  43           HA       VAL  43  -2.665  -4.835   0.657
  319    HB   VAL  43           HB       VAL  43  -0.908  -6.463   1.784
  320   1HG1  VAL  43          1HG1      VAL  43  -2.639  -8.409   1.747
  321   2HG1  VAL  43          2HG1      VAL  43  -2.329  -8.486   0.020
  322   3HG1  VAL  43          3HG1      VAL  43  -0.996  -8.707   1.172
  323   1HG2  VAL  43          1HG2      VAL  43  -1.598  -6.609  -1.180
  324   2HG2  VAL  43          2HG2      VAL  43  -0.634  -5.327  -0.425
  325   3HG2  VAL  43          3HG2      VAL  43  -0.036  -6.993  -0.426
  326    H    LYS  44           H        LYS  44  -4.670  -7.289   2.355
  327    HA   LYS  44           HA       LYS  44  -6.179  -7.921   0.040
  328   1HB   LYS  44          1HB       LYS  44  -6.740  -7.960   2.970
  329   2HB   LYS  44          2HB       LYS  44  -8.011  -8.276   1.761
  330   1HG   LYS  44          1HG       LYS  44  -6.769 -10.130   0.814
  331   2HG   LYS  44          2HG       LYS  44  -5.319  -9.752   1.761
  332   1HD   LYS  44          1HD       LYS  44  -6.760 -11.672   2.604
  333   2HD   LYS  44          2HD       LYS  44  -6.276 -10.442   3.781
  334   1HE   LYS  44          1HE       LYS  44  -8.400  -9.312   3.692
  335   2HE   LYS  44          2HE       LYS  44  -8.919 -10.236   2.283
  336   1HZ   LYS  44          1HZ       LYS  44  -8.952 -12.220   3.671
  337   2HZ   LYS  44          2HZ       LYS  44  -8.367 -11.392   4.961
  338   3HZ   LYS  44          3HZ       LYS  44  -9.881 -11.066   4.394
  339    H    SER  45           H        SER  45  -6.734  -5.235   2.390
  340    HA   SER  45           HA       SER  45  -9.213  -4.446   1.149
  341   1HB   SER  45          1HB       SER  45  -7.894  -3.732   3.424
  342   2HB   SER  45          2HB       SER  45  -7.684  -2.269   2.455
  343    HG   SER  45           HG       SER  45  -9.696  -2.308   3.636
  344    H    VAL  46           H        VAL  46  -5.824  -3.839   0.617
  345    HA   VAL  46           HA       VAL  46  -6.133  -1.711  -1.234
  346    HB   VAL  46           HB       VAL  46  -3.925  -2.989  -0.107
  347   1HG1  VAL  46          1HG1      VAL  46  -3.832  -4.613  -2.169
  348   2HG1  VAL  46          2HG1      VAL  46  -3.548  -3.164  -3.121
  349   3HG1  VAL  46          3HG1      VAL  46  -2.411  -3.633  -1.840
  350   1HG2  VAL  46          1HG2      VAL  46  -4.098  -0.982  -2.366
  351   2HG2  VAL  46          2HG2      VAL  46  -4.050  -0.657  -0.603
  352   3HG2  VAL  46          3HG2      VAL  46  -2.642  -1.347  -1.426
  353    H    LYS  47           H        LYS  47  -6.260  -5.231  -1.688
  354    HA   LYS  47           HA       LYS  47  -6.409  -4.853  -4.563
  355   1HB   LYS  47          1HB       LYS  47  -6.066  -7.074  -4.803
  356   2HB   LYS  47          2HB       LYS  47  -5.321  -6.676  -3.245
  357   1HG   LYS  47          1HG       LYS  47  -7.768  -7.427  -2.358
  358   2HG   LYS  47          2HG       LYS  47  -7.771  -8.334  -3.857
  359   1HD   LYS  47          1HD       LYS  47  -5.317  -8.369  -2.051
  360   2HD   LYS  47          2HD       LYS  47  -6.757  -9.224  -1.507
  361   1HE   LYS  47          1HE       LYS  47  -5.610  -9.790  -4.253
  362   2HE   LYS  47          2HE       LYS  47  -4.970 -10.576  -2.802
  363   1HZ   LYS  47          1HZ       LYS  47  -7.144 -11.399  -2.298
  364   2HZ   LYS  47          2HZ       LYS  47  -7.807 -10.666  -3.610
  365   3HZ   LYS  47          3HZ       LYS  47  -6.722 -11.891  -3.806
  366    H    THR  48           H        THR  48  -8.570  -5.280  -1.910
  367    HA   THR  48           HA       THR  48 -11.004  -5.692  -3.422
  368    HB   THR  48           HB       THR  48 -10.493  -4.697  -0.610
  369    HG1  THR  48           HG1      THR  48 -11.290  -6.883  -0.230
  370   1HG2  THR  48          1HG2      THR  48 -12.709  -3.904  -1.185
  371   2HG2  THR  48          2HG2      THR  48 -13.124  -5.468  -1.926
  372   3HG2  THR  48          3HG2      THR  48 -12.874  -5.339  -0.171
  373    H    GLY  49           H        GLY  49  -9.246  -2.652  -2.459
  374   1HA   GLY  49          1HA       GLY  49  -9.638  -0.591  -3.495
  375   2HA   GLY  49          2HA       GLY  49 -11.218  -1.103  -4.090
  376    H    LEU  50           H        LEU  50  -9.917   0.949  -2.119
  377    HA   LEU  50           HA       LEU  50 -12.304   1.038  -0.334
  378   1HB   LEU  50          1HB       LEU  50  -9.769   0.519   0.588
  379   2HB   LEU  50          2HB       LEU  50  -9.756   2.259   0.646
  380    HG   LEU  50           HG       LEU  50 -10.642   1.968   2.739
  381   1HD1  LEU  50          1HD1      LEU  50 -12.914   2.577   1.689
  382   2HD1  LEU  50          2HD1      LEU  50 -13.244   0.838   1.598
  383   3HD1  LEU  50          3HD1      LEU  50 -12.971   1.616   3.150
  384   1HD2  LEU  50          1HD2      LEU  50 -11.463  -0.793   1.811
  385   2HD2  LEU  50          2HD2      LEU  50  -9.973  -0.343   2.697
  386   3HD2  LEU  50          3HD2      LEU  50 -11.559  -0.217   3.493
  387    H    ASN  51           H        ASN  51 -11.453   3.599   0.896
  388    HA   ASN  51           HA       ASN  51 -12.722   5.220  -1.126
  389   1HB   ASN  51          1HB       ASN  51 -11.249   6.438   1.179
  390   2HB   ASN  51          2HB       ASN  51 -12.644   7.080   0.328
  391   1HD2  ASN  51          1HD2      ASN  51 -14.346   5.222   0.047
  392   2HD2  ASN  51          2HD2      ASN  51 -14.280   4.032   1.229
  393    H    ALA  52           H        ALA  52 -11.994   6.654  -2.221
  394    HA   ALA  52           HA       ALA  52 -10.582   7.671  -3.843
  395   1HB   ALA  52          1HB       ALA  52 -10.317   8.827  -1.668
  396   2HB   ALA  52          2HB       ALA  52  -8.934   7.815  -1.294
  397   3HB   ALA  52          3HB       ALA  52  -8.822   8.955  -2.661
  398    H    MET  53           H        MET  53 -10.101   4.601  -3.146
  399    HA   MET  53           HA       MET  53  -7.461   4.393  -4.482
  400   1HB   MET  53          1HB       MET  53  -8.007   3.951  -1.891
  401   2HB   MET  53          2HB       MET  53  -8.386   2.340  -2.482
  402   1HG   MET  53          1HG       MET  53  -6.087   2.088  -3.268
  403   2HG   MET  53          2HG       MET  53  -5.837   3.834  -3.142
  404   1HE   MET  53          1HE       MET  53  -7.218   0.951  -0.663
  405   2HE   MET  53          2HE       MET  53  -5.747   0.535  -1.562
  406   3HE   MET  53          3HE       MET  53  -5.685   0.769   0.212
  407    HA   PRO  54           HA       PRO  54 -10.085   2.026  -7.204
  408   1HB   PRO  54          1HB       PRO  54  -8.234   1.059  -9.029
  409   2HB   PRO  54          2HB       PRO  54  -8.853   2.734  -8.988
  410   1HG   PRO  54          1HG       PRO  54  -6.299   1.678  -7.782
  411   2HG   PRO  54          2HG       PRO  54  -6.516   3.156  -8.762
  412   1HD   PRO  54          1HD       PRO  54  -6.368   3.154  -6.041
  413   2HD   PRO  54          2HD       PRO  54  -7.430   4.307  -6.910
  414    HA   PRO  55           HA       PRO  55  -9.873  -2.097  -5.472
  415   1HB   PRO  55          1HB       PRO  55 -11.459  -3.503  -7.185
  416   2HB   PRO  55          2HB       PRO  55 -12.118  -2.277  -6.069
  417   1HG   PRO  55          1HG       PRO  55 -11.417  -1.897  -8.981
  418   2HG   PRO  55          2HG       PRO  55 -12.927  -1.433  -8.143
  419   1HD   PRO  55          1HD       PRO  55 -10.929   0.350  -8.581
  420   2HD   PRO  55          2HD       PRO  55 -11.862   0.387  -7.051
  421    H    GLY  56           H        GLY  56  -8.014  -3.144  -5.471
  422   1HA   GLY  56          1HA       GLY  56  -6.594  -4.816  -6.594
  423   2HA   GLY  56          2HA       GLY  56  -6.993  -4.061  -8.074
  424    H    GLY  57           H        GLY  57  -6.268  -1.843  -5.456
  425   1HA   GLY  57          1HA       GLY  57  -4.563  -0.302  -5.233
  426   2HA   GLY  57          2HA       GLY  57  -3.531  -1.722  -5.453
  427    H    MET  58           H        MET  58  -5.634  -0.373  -7.925
  428    HA   MET  58           HA       MET  58  -5.339   0.502  -9.976
  429   1HB   MET  58          1HB       MET  58  -3.921   2.195  -8.499
  430   2HB   MET  58          2HB       MET  58  -2.554   1.464  -9.345
  431   1HG   MET  58          1HG       MET  58  -3.984   1.984 -11.520
  432   2HG   MET  58          2HG       MET  58  -4.864   3.067 -10.443
  433   1HE   MET  58          1HE       MET  58  -3.831   4.196 -12.983
  434   2HE   MET  58          2HE       MET  58  -4.426   5.270 -11.690
  435   3HE   MET  58          3HE       MET  58  -2.881   5.624 -12.498
  436    H    CYS  59           H        CYS  59  -4.296  -2.257  -9.287
  437    HA   CYS  59           HA       CYS  59  -2.258  -2.653 -11.435
  438   1HB   CYS  59          1HB       CYS  59  -1.674  -2.896  -8.973
  439   2HB   CYS  59          2HB       CYS  59  -2.773  -4.283  -8.937
  440    H    THR  60           H        THR  60  -2.323  -4.607 -12.614
  441    HA   THR  60           HA       THR  60  -5.030  -5.653 -13.115
  442    HB   THR  60           HB       THR  60  -2.386  -6.162 -14.552
  443    HG1  THR  60           HG1      THR  60  -3.597  -4.750 -16.083
  444   1HG2  THR  60          1HG2      THR  60  -4.000  -7.970 -15.007
  445   2HG2  THR  60          2HG2      THR  60  -5.267  -6.771 -15.352
  446   3HG2  THR  60          3HG2      THR  60  -3.850  -6.911 -16.415
  447    H    ASP  61           H        ASP  61  -1.834  -7.254 -12.767
  448    HA   ASP  61           HA       ASP  61  -3.150  -9.472 -11.267
  449   1HB   ASP  61          1HB       ASP  61  -2.566  -9.809 -13.777
  450   2HB   ASP  61          2HB       ASP  61  -0.878  -9.864 -13.243
  451    H    CYS  62           H        CYS  62  -2.457  -7.771  -9.609
  452    HA   CYS  62           HA       CYS  62   0.374  -8.002  -8.743
  453   1HB   CYS  62          1HB       CYS  62  -2.011  -6.510  -7.660
  454   2HB   CYS  62          2HB       CYS  62  -0.616  -6.892  -6.650
  455    H    THR  63           H        THR  63   1.121  -9.730  -7.677
  456    HA   THR  63           HA       THR  63  -0.813 -11.463  -6.192
  457    HB   THR  63           HB       THR  63   1.905 -12.150  -7.375
  458    HG1  THR  63           HG1      THR  63   0.612 -13.234  -8.907
  459   1HG2  THR  63          1HG2      THR  63   1.269 -13.583  -5.416
  460   2HG2  THR  63          2HG2      THR  63  -0.313 -13.885  -6.173
  461   3HG2  THR  63          3HG2      THR  63   1.172 -14.485  -6.934
  462    H    ASP  64           H        ASP  64  -0.504 -11.704  -4.040
  463    HA   ASP  64           HA       ASP  64   0.612 -10.064  -2.333
  464   1HB   ASP  64          1HB       ASP  64  -0.086 -12.947  -2.316
  465   2HB   ASP  64          2HB       ASP  64   0.899 -12.374  -0.966
  466    H    GLU  65           H        GLU  65   2.521 -12.707  -3.677
  467    HA   GLU  65           HA       GLU  65   5.001 -12.608  -2.636
  468   1HB   GLU  65          1HB       GLU  65   4.185 -12.436  -5.564
  469   2HB   GLU  65          2HB       GLU  65   5.795 -12.920  -5.020
  470   1HG   GLU  65          1HG       GLU  65   3.303 -14.475  -4.131
  471   2HG   GLU  65          2HG       GLU  65   4.116 -14.765  -5.664
  472    H    ASP  66           H        ASP  66   3.981 -10.162  -5.107
  473    HA   ASP  66           HA       ASP  66   6.157  -8.362  -4.160
  474   1HB   ASP  66          1HB       ASP  66   4.953  -8.879  -6.808
  475   2HB   ASP  66          2HB       ASP  66   4.994  -7.155  -6.387
  476    H    TYR  67           H        TYR  67   2.619  -8.619  -4.450
  477    HA   TYR  67           HA       TYR  67   1.921  -5.977  -4.014
  478   1HB   TYR  67          1HB       TYR  67   0.612  -8.402  -4.157
  479   2HB   TYR  67          2HB       TYR  67   0.326  -7.986  -2.473
  480    HD1  TYR  67           HD1      TYR  67  -1.802  -8.606  -4.218
  481    HD2  TYR  67           HD2      TYR  67   0.120  -4.796  -3.535
  482    HE1  TYR  67           HE1      TYR  67  -3.732  -7.435  -5.229
  483    HE2  TYR  67           HE2      TYR  67  -1.759  -3.660  -4.667
  484    HH   TYR  67           HH       TYR  67  -3.627  -4.124  -6.166
  485    H    LYS  68           H        LYS  68   2.997  -8.350  -1.669
  486    HA   LYS  68           HA       LYS  68   2.422  -6.737   0.697
  487   1HB   LYS  68          1HB       LYS  68   3.191  -8.499   1.971
  488   2HB   LYS  68          2HB       LYS  68   2.333  -9.249   0.625
  489   1HG   LYS  68          1HG       LYS  68   4.700  -9.569  -0.454
  490   2HG   LYS  68          2HG       LYS  68   5.361  -9.125   1.120
  491   1HD   LYS  68          1HD       LYS  68   3.271 -11.304   0.794
  492   2HD   LYS  68          2HD       LYS  68   4.991 -11.631   0.548
  493   1HE   LYS  68          1HE       LYS  68   5.598 -11.101   2.767
  494   2HE   LYS  68          2HE       LYS  68   4.115 -10.207   3.089
  495   1HZ   LYS  68          1HZ       LYS  68   2.884 -12.232   3.032
  496   2HZ   LYS  68          2HZ       LYS  68   4.228 -13.115   2.680
  497   3HZ   LYS  68          3HZ       LYS  68   4.100 -12.350   4.137
  498    H    ALA  69           H        ALA  69   5.328  -7.778  -1.162
  499    HA   ALA  69           HA       ALA  69   7.292  -6.523   0.385
  500   1HB   ALA  69          1HB       ALA  69   7.850  -8.115  -1.308
  501   2HB   ALA  69          2HB       ALA  69   7.189  -7.085  -2.577
  502   3HB   ALA  69          3HB       ALA  69   8.646  -6.577  -1.700
  503    H    ALA  70           H        ALA  70   5.061  -5.140  -1.933
  504    HA   ALA  70           HA       ALA  70   6.253  -2.516  -2.204
  505   1HB   ALA  70          1HB       ALA  70   4.522  -3.161  -3.751
  506   2HB   ALA  70          2HB       ALA  70   3.371  -3.462  -2.432
  507   3HB   ALA  70          3HB       ALA  70   3.884  -1.816  -2.792
  508    H    ILE  71           H        ILE  71   3.944  -3.832   0.114
  509    HA   ILE  71           HA       ILE  71   3.567  -1.392   1.681
  510    HB   ILE  71           HB       ILE  71   2.646  -4.280   1.729
  511   1HG1  ILE  71          1HG1      ILE  71   1.309  -1.622   1.278
  512   2HG1  ILE  71          2HG1      ILE  71   1.583  -2.934   0.145
  513   1HG2  ILE  71          1HG2      ILE  71   3.063  -3.875   4.043
  514   2HG2  ILE  71          2HG2      ILE  71   2.192  -2.333   3.971
  515   3HG2  ILE  71          3HG2      ILE  71   1.343  -3.881   3.727
  516   1HD1  ILE  71          1HD1      ILE  71   0.129  -4.404   1.576
  517   2HD1  ILE  71          2HD1      ILE  71  -0.335  -2.954   2.497
  518   3HD1  ILE  71          3HD1      ILE  71  -0.705  -3.055   0.769
  519    H    GLU  72           H        GLU  72   5.405  -4.375   1.921
  520    HA   GLU  72           HA       GLU  72   6.622  -3.844   4.484
  521   1HB   GLU  72          1HB       GLU  72   7.663  -5.707   2.348
  522   2HB   GLU  72          2HB       GLU  72   8.125  -5.630   4.043
  523   1HG   GLU  72          1HG       GLU  72   5.544  -6.025   4.517
  524   2HG   GLU  72          2HG       GLU  72   5.528  -6.652   2.874
  525    H    PHE  73           H        PHE  73   7.561  -2.988   1.163
  526    HA   PHE  73           HA       PHE  73  10.061  -1.851   1.766
  527   1HB   PHE  73          1HB       PHE  73   8.915  -2.107  -0.484
  528   2HB   PHE  73          2HB       PHE  73   8.048  -0.624  -0.134
  529    HD1  PHE  73           HD1      PHE  73   9.448   1.535   0.178
  530    HD2  PHE  73           HD2      PHE  73  11.172  -2.173  -1.201
  531    HE1  PHE  73           HE1      PHE  73  11.339   2.779  -0.834
  532    HE2  PHE  73           HE2      PHE  73  13.058  -0.909  -2.213
  533    HZ   PHE  73           HZ       PHE  73  13.126   1.556  -2.055
  534    H    MET  74           H        MET  74   6.826  -0.570   2.534
  535    HA   MET  74           HA       MET  74   7.895   2.062   3.351
  536   1HB   MET  74          1HB       MET  74   5.115   0.866   3.203
  537   2HB   MET  74          2HB       MET  74   5.459   2.474   3.896
  538   1HG   MET  74          1HG       MET  74   6.536   3.112   1.739
  539   2HG   MET  74          2HG       MET  74   6.102   1.561   1.034
  540   1HE   MET  74          1HE       MET  74   3.941   1.250  -0.362
  541   2HE   MET  74          2HE       MET  74   3.320   0.835   1.247
  542   3HE   MET  74          3HE       MET  74   2.389   1.920   0.197
  543    H    SER  75           H        SER  75   5.685  -0.202   5.045
  544    HA   SER  75           HA       SER  75   7.455  -0.363   7.340
  545   1HB   SER  75          1HB       SER  75   6.036   1.991   7.370
  546   2HB   SER  75          2HB       SER  75   4.969   0.941   8.307
  547    HG   SER  75           HG       SER  75   6.557   1.987   9.582
  548    H    LYS  76           H        LYS  76   6.095  -2.196   5.597
  549    HA   LYS  76           HA       LYS  76   4.813  -4.096   5.646
  550   1HB   LYS  76          1HB       LYS  76   5.652  -5.558   7.632
  551   2HB   LYS  76          2HB       LYS  76   6.745  -5.066   6.360
  552   1HG   LYS  76          1HG       LYS  76   7.696  -3.303   7.661
  553   2HG   LYS  76          2HG       LYS  76   6.532  -3.564   8.976
  554   1HD   LYS  76          1HD       LYS  76   8.052  -6.010   8.214
  555   2HD   LYS  76          2HD       LYS  76   9.101  -4.662   8.677
  556   1HE   LYS  76          1HE       LYS  76   7.624  -4.360  10.765
  557   2HE   LYS  76          2HE       LYS  76   6.858  -5.901  10.341
  558   1HZ   LYS  76          1HZ       LYS  76   9.077  -6.903  10.494
  559   2HZ   LYS  76          2HZ       LYS  76   9.729  -5.450  10.899
  560   3HZ   LYS  76          3HZ       LYS  76   8.663  -6.178  11.914
  561    H    ALA  77           H        ALA  77   3.057  -2.372   6.061
  562    HA   ALA  77           HA       ALA  77   1.042  -3.940   7.407
  563   1HB   ALA  77          1HB       ALA  77   1.748  -2.825   9.372
  564   2HB   ALA  77          2HB       ALA  77   1.698  -1.227   8.617
  565   3HB   ALA  77          3HB       ALA  77   0.205  -2.155   8.888
  566    H    LYS  78           H        LYS  78   0.982  -0.448   6.740
  567    HA   LYS  78           HA       LYS  78  -1.390  -0.976   5.094
  568   1HB   LYS  78          1HB       LYS  78  -2.212   1.080   5.650
  569   2HB   LYS  78          2HB       LYS  78  -1.502   0.414   7.115
  570   1HG   LYS  78          1HG       LYS  78  -0.225   2.313   7.390
  571   2HG   LYS  78          2HG       LYS  78   0.471   2.026   5.794
  572   1HD   LYS  78          1HD       LYS  78  -0.482   4.172   5.698
  573   2HD   LYS  78          2HD       LYS  78  -1.445   3.090   4.705
  574   1HE   LYS  78          1HE       LYS  78  -3.141   4.241   5.778
  575   2HE   LYS  78          2HE       LYS  78  -3.006   2.838   6.828
  576   1HZ   LYS  78          1HZ       LYS  78  -1.728   4.161   8.361
  577   2HZ   LYS  78          2HZ       LYS  78  -1.647   5.408   7.287
  578   3HZ   LYS  78          3HZ       LYS  78  -3.082   5.004   7.971
  579    HHA  HEC  90           HHA      HEC  90  -5.894   4.084   3.407
  580    HHB  HEC  90           HHB      HEC  90  -1.519   0.063   0.944
  581    HHC  HEC  90           HHC      HEC  90  -2.026   3.175  -4.701
  582    HHD  HEC  90           HHD      HEC  90  -5.559   7.730  -1.859
  583   1HMA  HEC  90          1HMA      HEC  90  -4.068  -1.098   2.759
  584   2HMA  HEC  90          2HMA      HEC  90  -2.313  -0.815   2.777
  585   3HMA  HEC  90          3HMA      HEC  90  -3.283  -0.444   4.203
  586   1HAA  HEC  90          1HAA      HEC  90  -4.777   2.811   5.066
  587   2HAA  HEC  90          2HAA      HEC  90  -4.443   1.102   5.211
  588   1HBA  HEC  90          1HBA      HEC  90  -6.700   0.581   4.335
  589   2HBA  HEC  90          2HBA      HEC  90  -7.065   2.305   4.254
  590   1HMB  HEC  90          1HMB      HEC  90  -0.451  -1.328  -1.091
  591   2HMB  HEC  90          2HMB      HEC  90   0.807  -0.536  -2.029
  592   3HMB  HEC  90          3HMB      HEC  90   0.568  -0.086  -0.357
  593    HAB  HEC  90           HAB      HEC  90  -0.694   1.605  -4.986
  594   1HBB  HEC  90          1HBB      HEC  90  -1.700  -0.627  -4.787
  595   2HBB  HEC  90          2HBB      HEC  90  -0.125  -0.629  -5.598
  596   3HBB  HEC  90          3HBB      HEC  90  -0.263  -1.198  -3.923
  597   1HMC  HEC  90          1HMC      HEC  90  -3.845   5.260  -6.571
  598   2HMC  HEC  90          2HMC      HEC  90  -2.604   6.476  -6.182
  599   3HMC  HEC  90          3HMC      HEC  90  -2.214   4.768  -6.118
  600    HAC  HEC  90           HAC      HEC  90  -5.527   8.165  -3.885
  601   1HBC  HEC  90          1HBC      HEC  90  -6.044   6.653  -5.854
  602   2HBC  HEC  90          2HBC      HEC  90  -6.034   8.412  -6.097
  603   3HBC  HEC  90          3HBC      HEC  90  -4.666   7.451  -6.660
  604   1HMD  HEC  90          1HMD      HEC  90  -7.877   8.320   0.585
  605   2HMD  HEC  90          2HMD      HEC  90  -6.528   9.142   1.366
  606   3HMD  HEC  90          3HMD      HEC  90  -6.532   8.956  -0.381
  607   1HAD  HEC  90          1HAD      HEC  90  -8.023   6.332   3.009
  608   2HAD  HEC  90          2HAD      HEC  90  -7.105   7.823   3.129
  609   1HBD  HEC  90          1HBD      HEC  90  -5.359   6.321   4.455
  610   2HBD  HEC  90          2HBD      HEC  90  -6.811   5.322   4.751
  Start of MODEL   30
    1   1H    ALA  -3          1H        ALA  -3   8.668   0.473 -14.909
    2   2H    ALA  -3          2H        ALA  -3   8.087   1.679 -13.954
    3   3H    ALA  -3          3H        ALA  -3   8.087   0.129 -13.414
    4    HA   ALA  -3           HA       ALA  -3   5.860   0.808 -14.087
    5   1HB   ALA  -3          1HB       ALA  -3   6.619   2.446 -15.834
    6   2HB   ALA  -3          2HB       ALA  -3   7.142   1.093 -16.843
    7   3HB   ALA  -3          3HB       ALA  -3   5.425   1.293 -16.455
    8    H    ASP  -2           H        ASP  -2   6.589  -1.542 -13.183
    9    HA   ASP  -2           HA       ASP  -2   5.622  -3.493 -15.025
   10   1HB   ASP  -2          1HB       ASP  -2   8.179  -2.887 -15.665
   11   2HB   ASP  -2          2HB       ASP  -2   8.526  -3.965 -14.306
   12    H    LEU  -1           H        LEU  -1   4.880  -5.267 -13.882
   13    HA   LEU  -1           HA       LEU  -1   5.176  -5.151 -10.938
   14   1HB   LEU  -1          1HB       LEU  -1   3.285  -6.340 -10.684
   15   2HB   LEU  -1          2HB       LEU  -1   2.966  -5.322 -12.065
   16    HG   LEU  -1           HG       LEU  -1   1.990  -7.159 -12.803
   17   1HD1  LEU  -1          1HD1      LEU  -1   3.464  -6.862 -14.554
   18   2HD1  LEU  -1          2HD1      LEU  -1   4.742  -7.833 -13.825
   19   3HD1  LEU  -1          3HD1      LEU  -1   3.229  -8.595 -14.304
   20   1HD2  LEU  -1          1HD2      LEU  -1   3.750  -8.842 -11.003
   21   2HD2  LEU  -1          2HD2      LEU  -1   2.054  -8.498 -10.905
   22   3HD2  LEU  -1          3HD2      LEU  -1   2.645  -9.535 -12.203
   23    H    GLN   1           H        GLN   1   7.525  -5.522 -11.538
   24    HA   GLN   1           HA       GLN   1   8.087  -8.463 -11.485
   25   1HB   GLN   1          1HB       GLN   1   9.220  -6.319 -13.083
   26   2HB   GLN   1          2HB       GLN   1  10.440  -6.759 -11.901
   27   1HG   GLN   1          1HG       GLN   1  11.018  -8.227 -13.520
   28   2HG   GLN   1          2HG       GLN   1   9.863  -9.262 -12.684
   29   1HE2  GLN   1          1HE2      GLN   1   8.132 -10.064 -13.995
   30   2HE2  GLN   1          2HE2      GLN   1   7.826  -9.414 -15.607
   31    H    ASP   2           H        ASP   2   8.105  -5.780  -9.482
   32    HA   ASP   2           HA       ASP   2   9.359  -7.207  -7.344
   33   1HB   ASP   2          1HB       ASP   2  11.283  -5.965  -8.553
   34   2HB   ASP   2          2HB       ASP   2  10.458  -4.454  -8.142
   35    H    ALA   3           H        ALA   3   9.284  -5.300  -5.547
   36    HA   ALA   3           HA       ALA   3   6.535  -4.145  -5.473
   37   1HB   ALA   3          1HB       ALA   3   6.995  -5.515  -3.669
   38   2HB   ALA   3          2HB       ALA   3   8.622  -4.830  -3.386
   39   3HB   ALA   3          3HB       ALA   3   7.181  -3.837  -3.114
   40    H    GLU   4           H        GLU   4  10.057  -3.349  -5.051
   41    HA   GLU   4           HA       GLU   4   9.656  -0.689  -4.154
   42   1HB   GLU   4          1HB       GLU   4  11.789  -1.907  -3.971
   43   2HB   GLU   4          2HB       GLU   4  12.031  -1.754  -5.717
   44   1HG   GLU   4          1HG       GLU   4  11.844   0.800  -5.399
   45   2HG   GLU   4          2HG       GLU   4  11.803   0.504  -3.654
   46    H    ALA   5           H        ALA   5   9.748  -2.103  -7.357
   47    HA   ALA   5           HA       ALA   5   9.468   0.453  -8.799
   48   1HB   ALA   5          1HB       ALA   5  10.735  -1.374  -9.804
   49   2HB   ALA   5          2HB       ALA   5   9.282  -2.401  -9.820
   50   3HB   ALA   5          3HB       ALA   5   9.341  -0.921 -10.803
   51    H    ILE   6           H        ILE   6   7.288  -1.966  -7.434
   52    HA   ILE   6           HA       ILE   6   5.032  -1.264  -9.107
   53    HB   ILE   6           HB       ILE   6   5.641  -3.357  -7.374
   54   1HG1  ILE   6          1HG1      ILE   6   4.434  -3.502  -9.461
   55   2HG1  ILE   6          2HG1      ILE   6   3.643  -4.398  -8.164
   56   1HG2  ILE   6          1HG2      ILE   6   4.801  -2.314  -5.380
   57   2HG2  ILE   6          2HG2      ILE   6   3.237  -1.978  -6.148
   58   3HG2  ILE   6          3HG2      ILE   6   3.762  -3.646  -5.866
   59   1HD1  ILE   6          1HD1      ILE   6   1.917  -2.726  -7.933
   60   2HD1  ILE   6          2HD1      ILE   6   2.782  -1.585  -8.991
   61   3HD1  ILE   6          3HD1      ILE   6   2.139  -3.084  -9.659
   62    H    TYR   7           H        TYR   7   6.019  -0.539  -5.699
   63    HA   TYR   7           HA       TYR   7   3.751   1.152  -5.363
   64   1HB   TYR   7          1HB       TYR   7   4.360   1.423  -3.222
   65   2HB   TYR   7          2HB       TYR   7   5.365   0.036  -3.585
   66    HD1  TYR   7           HD1      TYR   7   7.783   0.480  -4.209
   67    HD2  TYR   7           HD2      TYR   7   5.249   3.519  -2.550
   68    HE1  TYR   7           HE1      TYR   7   9.788   1.899  -3.747
   69    HE2  TYR   7           HE2      TYR   7   7.233   4.911  -2.046
   70    HH   TYR   7           HH       TYR   7   9.472   5.141  -2.299
   71    H    ASN   8           H        ASN   8   6.965   1.806  -6.635
   72    HA   ASN   8           HA       ASN   8   6.818   4.637  -6.781
   73   1HB   ASN   8          1HB       ASN   8   8.514   2.384  -7.781
   74   2HB   ASN   8          2HB       ASN   8   8.373   3.651  -8.953
   75   1HD2  ASN   8          1HD2      ASN   8   8.476   3.659  -5.387
   76   2HD2  ASN   8          2HD2      ASN   8   9.789   4.813  -5.287
   77    H    LYS   9           H        LYS   9   5.397   2.194  -8.710
   78    HA   LYS   9           HA       LYS   9   4.476   4.289 -10.661
   79   1HB   LYS   9          1HB       LYS   9   5.512   2.227 -11.572
   80   2HB   LYS   9          2HB       LYS   9   4.170   1.298 -10.901
   81   1HG   LYS   9          1HG       LYS   9   3.795   1.755 -13.275
   82   2HG   LYS   9          2HG       LYS   9   2.557   2.517 -12.301
   83   1HD   LYS   9          1HD       LYS   9   3.302   3.916 -14.176
   84   2HD   LYS   9          2HD       LYS   9   3.517   4.733 -12.634
   85   1HE   LYS   9          1HE       LYS   9   5.891   4.499 -12.680
   86   2HE   LYS   9          2HE       LYS   9   5.818   3.178 -13.845
   87   1HZ   LYS   9          1HZ       LYS   9   5.065   4.783 -15.511
   88   2HZ   LYS   9          2HZ       LYS   9   5.225   6.008 -14.429
   89   3HZ   LYS   9          3HZ       LYS   9   6.548   5.176 -14.926
   90    H    ALA  10           H        ALA  10   3.315   2.382  -8.032
   91    HA   ALA  10           HA       ALA  10   0.453   2.765  -8.837
   92   1HB   ALA  10          1HB       ALA  10   1.164   0.423  -8.667
   93   2HB   ALA  10          2HB       ALA  10   1.677   0.674  -6.989
   94   3HB   ALA  10          3HB       ALA  10  -0.031   0.825  -7.420
   95    H    CYS  11           H        CYS  11   2.108   2.268  -5.699
   96    HA   CYS  11           HA       CYS  11   0.246   4.027  -4.337
   97   1HB   CYS  11          1HB       CYS  11   2.675   3.078  -2.957
   98   2HB   CYS  11          2HB       CYS  11   0.997   3.078  -2.428
   99    H    THR  12           H        THR  12   1.578   5.394  -6.382
  100    HA   THR  12           HA       THR  12   3.541   7.188  -5.051
  101    HB   THR  12           HB       THR  12   4.466   5.646  -6.879
  102    HG1  THR  12           HG1      THR  12   4.482   8.406  -7.303
  103   1HG2  THR  12          1HG2      THR  12   2.406   5.842  -8.378
  104   2HG2  THR  12          2HG2      THR  12   2.873   7.516  -8.729
  105   3HG2  THR  12          3HG2      THR  12   3.920   6.210  -9.212
  106    H    VAL  13           H        VAL  13   0.472   7.208  -6.100
  107    HA   VAL  13           HA       VAL  13   0.634   9.886  -7.415
  108    HB   VAL  13           HB       VAL  13  -1.705   7.952  -7.172
  109   1HG1  VAL  13          1HG1      VAL  13  -2.255  10.295  -7.711
  110   2HG1  VAL  13          2HG1      VAL  13  -1.052  10.268  -9.024
  111   3HG1  VAL  13          3HG1      VAL  13  -2.511   9.246  -9.125
  112   1HG2  VAL  13          1HG2      VAL  13   0.397   8.184  -9.374
  113   2HG2  VAL  13          2HG2      VAL  13   0.052   6.747  -8.387
  114   3HG2  VAL  13          3HG2      VAL  13  -1.145   7.325  -9.543
  115    H    CYS  14           H        CYS  14  -0.838   8.063  -4.847
  116    HA   CYS  14           HA       CYS  14  -1.993  10.357  -3.416
  117   1HB   CYS  14          1HB       CYS  14  -2.198   7.375  -3.407
  118   2HB   CYS  14          2HB       CYS  14  -3.071   8.411  -2.245
  119    H    HIS  15           H        HIS  15  -0.154   7.421  -2.518
  120    HA   HIS  15           HA       HIS  15   0.416   8.417   0.094
  121   1HB   HIS  15          1HB       HIS  15   1.393   6.036  -1.522
  122   2HB   HIS  15          2HB       HIS  15   1.834   6.302   0.156
  123    HD1  HIS  15           HD1      HIS  15   0.097   5.827   1.928
  124    HD2  HIS  15           HD2      HIS  15  -1.253   5.397  -2.002
  125    HE1  HIS  15           HE1      HIS  15  -1.930   4.195   2.023
  126    H    SER  16           H        SER  16   2.324   8.565  -2.821
  127    HA   SER  16           HA       SER  16   4.953   8.905  -1.743
  128   1HB   SER  16          1HB       SER  16   3.641   9.654  -4.333
  129   2HB   SER  16          2HB       SER  16   5.140  10.483  -3.919
  130    HG   SER  16           HG       SER  16   5.411   8.418  -5.076
  131    H    MET  17           H        MET  17   2.411  11.301  -2.436
  132    HA   MET  17           HA       MET  17   3.974  13.359  -0.933
  133   1HB   MET  17          1HB       MET  17   3.599  13.456  -3.475
  134   2HB   MET  17          2HB       MET  17   1.931  13.880  -3.114
  135   1HG   MET  17          1HG       MET  17   2.530  16.021  -2.601
  136   2HG   MET  17          2HG       MET  17   3.897  15.513  -1.606
  137   1HE   MET  17          1HE       MET  17   3.873  18.174  -3.408
  138   2HE   MET  17          2HE       MET  17   5.210  17.674  -2.335
  139   3HE   MET  17          3HE       MET  17   5.537  18.096  -4.034
  140    H    GLY  18           H        GLY  18   1.111  11.464  -0.801
  141   1HA   GLY  18          1HA       GLY  18  -0.477  11.415   0.850
  142   2HA   GLY  18          2HA       GLY  18   0.149  12.887   1.584
  143    H    VAL  19           H        VAL  19  -1.197  12.018  -1.608
  144    HA   VAL  19           HA       VAL  19  -2.945  14.419  -1.673
  145    HB   VAL  19           HB       VAL  19  -2.226  12.381  -3.817
  146   1HG1  VAL  19          1HG1      VAL  19  -4.428  13.206  -4.355
  147   2HG1  VAL  19          2HG1      VAL  19  -3.920  14.886  -4.032
  148   3HG1  VAL  19          3HG1      VAL  19  -3.250  13.981  -5.403
  149   1HG2  VAL  19          1HG2      VAL  19  -1.369  15.268  -3.442
  150   2HG2  VAL  19          2HG2      VAL  19  -0.346  13.830  -3.226
  151   3HG2  VAL  19          3HG2      VAL  19  -0.971  14.226  -4.828
  152    H    ALA  20           H        ALA  20  -5.189  14.084  -2.321
  153    HA   ALA  20           HA       ALA  20  -7.265  13.330  -1.770
  154   1HB   ALA  20          1HB       ALA  20  -6.705  11.686  -3.484
  155   2HB   ALA  20          2HB       ALA  20  -6.106  10.580  -2.226
  156   3HB   ALA  20          3HB       ALA  20  -7.819  11.041  -2.263
  157    H    GLY  21           H        GLY  21  -5.198  13.551   0.415
  158   1HA   GLY  21          1HA       GLY  21  -5.223  13.386   2.733
  159   2HA   GLY  21          2HA       GLY  21  -6.759  12.514   2.669
  160    H    ALA  22           H        ALA  22  -4.416  11.082   0.571
  161    HA   ALA  22           HA       ALA  22  -4.430   8.676   1.963
  162   1HB   ALA  22          1HB       ALA  22  -4.004   8.914  -0.431
  163   2HB   ALA  22          2HB       ALA  22  -2.417   9.632  -0.103
  164   3HB   ALA  22          3HB       ALA  22  -2.738   7.941   0.333
  165    HA   PRO  23           HA       PRO  23  -1.308   9.289   5.143
  166   1HB   PRO  23          1HB       PRO  23  -0.717   6.880   5.801
  167   2HB   PRO  23          2HB       PRO  23  -2.379   7.510   6.037
  168   1HG   PRO  23          1HG       PRO  23  -1.491   5.752   3.743
  169   2HG   PRO  23          2HG       PRO  23  -2.914   5.520   4.808
  170   1HD   PRO  23          1HD       PRO  23  -3.069   6.770   2.389
  171   2HD   PRO  23          2HD       PRO  23  -4.047   7.310   3.784
  172    H    LYS  24           H        LYS  24   0.941   9.257   5.418
  173    HA   LYS  24           HA       LYS  24   2.412   9.494   3.025
  174   1HB   LYS  24          1HB       LYS  24   3.045   9.672   5.922
  175   2HB   LYS  24          2HB       LYS  24   4.395   9.199   4.907
  176   1HG   LYS  24          1HG       LYS  24   4.565  11.528   5.068
  177   2HG   LYS  24          2HG       LYS  24   3.979  11.190   3.452
  178   1HD   LYS  24          1HD       LYS  24   2.449  12.811   3.917
  179   2HD   LYS  24          2HD       LYS  24   1.583  11.505   4.712
  180   1HE   LYS  24          1HE       LYS  24   3.289  12.391   6.756
  181   2HE   LYS  24          2HE       LYS  24   3.034  13.877   5.836
  182   1HZ   LYS  24          1HZ       LYS  24   0.634  13.482   6.078
  183   2HZ   LYS  24          2HZ       LYS  24   0.938  12.151   6.990
  184   3HZ   LYS  24          3HZ       LYS  24   1.382  13.639   7.536
  185    H    SER  25           H        SER  25   4.096   8.441   2.140
  186    HA   SER  25           HA       SER  25   4.066   5.693   1.683
  187   1HB   SER  25          1HB       SER  25   6.346   6.290   0.658
  188   2HB   SER  25          2HB       SER  25   4.941   7.223   0.104
  189    HG   SER  25           HG       SER  25   6.514   8.721   0.625
  190    H    HIS  26           H        HIS  26   5.937   7.554   4.095
  191    HA   HIS  26           HA       HIS  26   6.589   4.974   5.434
  192   1HB   HIS  26          1HB       HIS  26   8.883   5.372   5.622
  193   2HB   HIS  26          2HB       HIS  26   8.491   5.599   3.922
  194    HD1  HIS  26           HD1      HIS  26  10.175   7.271   6.751
  195    HD2  HIS  26           HD2      HIS  26   8.111   8.451   3.287
  196    HE1  HIS  26           HE1      HIS  26  10.723   9.737   6.383
  197    H    ASN  27           H        ASN  27   4.573   6.324   6.370
  198    HA   ASN  27           HA       ASN  27   5.378   8.130   8.542
  199   1HB   ASN  27          1HB       ASN  27   2.802   7.080   7.429
  200   2HB   ASN  27          2HB       ASN  27   2.905   7.041   9.195
  201   1HD2  ASN  27          1HD2      ASN  27   0.836   8.791   8.006
  202   2HD2  ASN  27          2HD2      ASN  27   1.459  10.334   8.492
  203    H    THR  28           H        THR  28   5.186   7.549  10.828
  204    HA   THR  28           HA       THR  28   5.432   4.597  11.386
  205    HB   THR  28           HB       THR  28   7.334   6.012  12.058
  206    HG1  THR  28           HG1      THR  28   7.321   5.159  14.187
  207   1HG2  THR  28          1HG2      THR  28   6.025   8.090  12.746
  208   2HG2  THR  28          2HG2      THR  28   5.465   7.182  14.171
  209   3HG2  THR  28          3HG2      THR  28   7.187   7.512  13.945
  210    H    ALA  29           H        ALA  29   3.618   7.563  12.204
  211    HA   ALA  29           HA       ALA  29   2.020   6.247  14.232
  212   1HB   ALA  29          1HB       ALA  29   2.569   8.603  14.298
  213   2HB   ALA  29          2HB       ALA  29   1.647   8.884  12.796
  214   3HB   ALA  29          3HB       ALA  29   0.810   8.349  14.276
  215    H    ASP  30           H        ASP  30   1.669   6.641  10.797
  216    HA   ASP  30           HA       ASP  30  -1.172   5.912  10.639
  217   1HB   ASP  30          1HB       ASP  30   0.840   7.124   9.024
  218   2HB   ASP  30          2HB       ASP  30   0.337   5.709   8.128
  219    H    TRP  31           H        TRP  31   1.863   4.326  10.870
  220    HA   TRP  31           HA       TRP  31   0.906   1.774   9.684
  221   1HB   TRP  31          1HB       TRP  31   3.670   2.841  10.234
  222   2HB   TRP  31          2HB       TRP  31   3.311   1.210   9.652
  223    HD1  TRP  31           HD1      TRP  31   2.899   4.866   8.533
  224    HE1  TRP  31           HE1      TRP  31   3.089   5.080   6.006
  225    HE3  TRP  31           HE3      TRP  31   3.292  -0.098   7.371
  226    HZ2  TRP  31           HZ2      TRP  31   3.308   3.327   3.762
  227    HZ3  TRP  31           HZ3      TRP  31   3.208  -0.776   4.971
  228    HH2  TRP  31           HH2      TRP  31   3.013   0.926   3.210
  229    H    GLU  32           H        GLU  32   2.202   3.226  12.751
  230    HA   GLU  32           HA       GLU  32   2.412   0.992  14.347
  231   1HB   GLU  32          1HB       GLU  32   1.645   3.850  14.793
  232   2HB   GLU  32          2HB       GLU  32   1.078   2.715  16.014
  233   1HG   GLU  32          1HG       GLU  32   3.658   1.888  15.900
  234   2HG   GLU  32          2HG       GLU  32   3.865   3.581  15.427
  235    HA   PRO  33           HA       PRO  33  -2.202   0.544  15.264
  236   1HB   PRO  33          1HB       PRO  33  -4.141   1.918  13.886
  237   2HB   PRO  33          2HB       PRO  33  -3.294   2.548  15.323
  238   1HG   PRO  33          1HG       PRO  33  -2.731   3.177  12.423
  239   2HG   PRO  33          2HG       PRO  33  -2.796   4.293  13.815
  240   1HD   PRO  33          1HD       PRO  33  -0.476   3.284  12.784
  241   2HD   PRO  33          2HD       PRO  33  -0.656   3.723  14.505
  242    H    ARG  34           H        ARG  34  -0.655   0.191  12.355
  243    HA   ARG  34           HA       ARG  34  -2.680  -1.633  11.164
  244   1HB   ARG  34          1HB       ARG  34  -0.209  -0.374   9.958
  245   2HB   ARG  34          2HB       ARG  34  -1.432  -1.291   9.101
  246   1HG   ARG  34          1HG       ARG  34  -1.896   1.369  10.565
  247   2HG   ARG  34          2HG       ARG  34  -1.480   1.239   8.880
  248   1HD   ARG  34          1HD       ARG  34  -3.565   0.606   8.209
  249   2HD   ARG  34          2HD       ARG  34  -3.855  -0.347   9.658
  250    HE   ARG  34           HE       ARG  34  -4.892   1.417  10.638
  251   1HH1  ARG  34          2HH1      ARG  34  -2.806   2.896   8.240
  252   2HH1  ARG  34          1HH1      ARG  34  -3.493   4.484   8.413
  253   1HH2  ARG  34          1HH2      ARG  34  -5.820   3.456  10.828
  254   2HH2  ARG  34          2HH2      ARG  34  -5.295   4.746   9.785
  255    H    LEU  35           H        LEU  35   0.783  -1.364  12.065
  256    HA   LEU  35           HA       LEU  35   1.536  -4.120  12.037
  257   1HB   LEU  35          1HB       LEU  35   2.533  -1.536  13.185
  258   2HB   LEU  35          2HB       LEU  35   3.102  -2.973  13.999
  259    HG   LEU  35           HG       LEU  35   3.311  -3.032  11.026
  260   1HD1  LEU  35          1HD1      LEU  35   4.122  -0.805  11.350
  261   2HD1  LEU  35          2HD1      LEU  35   4.996  -1.254  12.831
  262   3HD1  LEU  35          3HD1      LEU  35   5.559  -1.841  11.257
  263   1HD2  LEU  35          1HD2      LEU  35   5.238  -3.851  13.229
  264   2HD2  LEU  35          2HD2      LEU  35   4.013  -4.926  12.514
  265   3HD2  LEU  35          3HD2      LEU  35   5.317  -4.276  11.505
  266    H    ALA  36           H        ALA  36  -0.993  -3.030  13.768
  267    HA   ALA  36           HA       ALA  36  -0.423  -4.441  16.293
  268   1HB   ALA  36          1HB       ALA  36  -1.482  -2.227  16.460
  269   2HB   ALA  36          2HB       ALA  36  -2.804  -2.764  15.399
  270   3HB   ALA  36          3HB       ALA  36  -2.593  -3.502  17.003
  271    H    LYS  37           H        LYS  37  -1.927  -4.751  13.163
  272    HA   LYS  37           HA       LYS  37  -3.244  -7.305  13.987
  273   1HB   LYS  37          1HB       LYS  37  -3.874  -5.467  11.643
  274   2HB   LYS  37          2HB       LYS  37  -4.535  -7.095  11.927
  275   1HG   LYS  37          1HG       LYS  37  -5.277  -6.240  14.221
  276   2HG   LYS  37          2HG       LYS  37  -4.931  -4.608  13.646
  277   1HD   LYS  37          1HD       LYS  37  -6.641  -6.433  11.925
  278   2HD   LYS  37          2HD       LYS  37  -7.370  -5.858  13.407
  279   1HE   LYS  37          1HE       LYS  37  -6.099  -3.930  11.411
  280   2HE   LYS  37          2HE       LYS  37  -7.754  -4.521  11.213
  281   1HZ   LYS  37          1HZ       LYS  37  -8.313  -3.645  13.359
  282   2HZ   LYS  37          2HZ       LYS  37  -6.785  -3.085  13.597
  283   3HZ   LYS  37          3HZ       LYS  37  -7.723  -2.446  12.406
  284    H    GLY  38           H        GLY  38  -1.666  -5.930  11.026
  285   1HA   GLY  38          1HA       GLY  38   0.542  -7.560  10.769
  286   2HA   GLY  38          2HA       GLY  38  -0.800  -8.596  10.240
  287    H    VAL  39           H        VAL  39   0.430  -8.520   8.181
  288    HA   VAL  39           HA       VAL  39  -0.078  -6.059   6.564
  289    HB   VAL  39           HB       VAL  39   1.508  -7.395   4.934
  290   1HG1  VAL  39          1HG1      VAL  39   1.864  -5.248   6.021
  291   2HG1  VAL  39          2HG1      VAL  39   2.366  -6.063   7.511
  292   3HG1  VAL  39          3HG1      VAL  39   3.376  -6.191   6.041
  293   1HG2  VAL  39          1HG2      VAL  39   2.497  -8.504   7.618
  294   2HG2  VAL  39          2HG2      VAL  39   1.747  -9.493   6.341
  295   3HG2  VAL  39          3HG2      VAL  39   3.273  -8.659   6.042
  296    H    ASP  40           H        ASP  40  -0.587  -9.551   6.573
  297    HA   ASP  40           HA       ASP  40  -1.868  -9.823   4.146
  298   1HB   ASP  40          1HB       ASP  40  -2.520 -11.471   6.547
  299   2HB   ASP  40          2HB       ASP  40  -2.328 -11.953   4.847
  300    H    ASN  41           H        ASN  41  -3.077  -7.756   6.220
  301    HA   ASN  41           HA       ASN  41  -5.981  -8.495   6.032
  302   1HB   ASN  41          1HB       ASN  41  -5.177  -6.154   7.693
  303   2HB   ASN  41          2HB       ASN  41  -6.294  -7.440   8.064
  304   1HD2  ASN  41          1HD2      ASN  41  -3.693  -6.011   9.275
  305   2HD2  ASN  41          2HD2      ASN  41  -3.005  -7.412  10.062
  306    H    LEU  42           H        LEU  42  -3.630  -5.800   5.865
  307    HA   LEU  42           HA       LEU  42  -5.510  -3.986   4.583
  308   1HB   LEU  42          1HB       LEU  42  -2.552  -3.863   5.246
  309   2HB   LEU  42          2HB       LEU  42  -3.484  -2.536   4.579
  310    HG   LEU  42           HG       LEU  42  -4.851  -3.696   6.926
  311   1HD1  LEU  42          1HD1      LEU  42  -2.488  -4.197   7.555
  312   2HD1  LEU  42          2HD1      LEU  42  -2.130  -2.468   7.395
  313   3HD1  LEU  42          3HD1      LEU  42  -3.271  -3.028   8.638
  314   1HD2  LEU  42          1HD2      LEU  42  -3.756  -0.902   6.512
  315   2HD2  LEU  42          2HD2      LEU  42  -5.333  -1.452   5.902
  316   3HD2  LEU  42          3HD2      LEU  42  -5.019  -1.411   7.646
  317    H    VAL  43           H        VAL  43  -2.912  -6.259   3.563
  318    HA   VAL  43           HA       VAL  43  -2.761  -5.266   0.882
  319    HB   VAL  43           HB       VAL  43  -1.241  -6.865   2.165
  320   1HG1  VAL  43          1HG1      VAL  43  -3.060  -8.488   2.770
  321   2HG1  VAL  43          2HG1      VAL  43  -3.134  -8.928   1.047
  322   3HG1  VAL  43          3HG1      VAL  43  -1.652  -9.234   1.960
  323   1HG2  VAL  43          1HG2      VAL  43  -2.074  -7.565  -0.690
  324   2HG2  VAL  43          2HG2      VAL  43  -0.934  -6.289  -0.201
  325   3HG2  VAL  43          3HG2      VAL  43  -0.533  -7.996   0.081
  326    H    LYS  44           H        LYS  44  -5.113  -7.272   2.605
  327    HA   LYS  44           HA       LYS  44  -6.428  -8.238   0.237
  328   1HB   LYS  44          1HB       LYS  44  -7.583  -8.127   3.021
  329   2HB   LYS  44          2HB       LYS  44  -8.155  -9.119   1.693
  330   1HG   LYS  44          1HG       LYS  44  -5.390  -9.348   2.924
  331   2HG   LYS  44          2HG       LYS  44  -6.764 -10.240   3.518
  332   1HD   LYS  44          1HD       LYS  44  -6.525 -11.858   2.033
  333   2HD   LYS  44          2HD       LYS  44  -6.546 -10.728   0.671
  334   1HE   LYS  44          1HE       LYS  44  -4.268 -10.634   0.483
  335   2HE   LYS  44          2HE       LYS  44  -3.974 -10.841   2.227
  336   1HZ   LYS  44          1HZ       LYS  44  -4.293 -13.132   2.027
  337   2HZ   LYS  44          2HZ       LYS  44  -4.738 -13.044   0.441
  338   3HZ   LYS  44          3HZ       LYS  44  -3.207 -12.681   0.875
  339    H    SER  45           H        SER  45  -6.921  -5.464   2.474
  340    HA   SER  45           HA       SER  45  -9.317  -4.475   1.252
  341   1HB   SER  45          1HB       SER  45  -7.160  -2.942   2.754
  342   2HB   SER  45          2HB       SER  45  -8.839  -2.438   2.459
  343    HG   SER  45           HG       SER  45  -8.645  -3.388   4.530
  344    H    VAL  46           H        VAL  46  -5.825  -4.116   0.610
  345    HA   VAL  46           HA       VAL  46  -6.055  -1.995  -1.203
  346    HB   VAL  46           HB       VAL  46  -3.993  -4.093  -0.641
  347   1HG1  VAL  46          1HG1      VAL  46  -3.727  -3.939  -3.025
  348   2HG1  VAL  46          2HG1      VAL  46  -3.759  -2.155  -2.965
  349   3HG1  VAL  46          3HG1      VAL  46  -2.420  -3.058  -2.217
  350   1HG2  VAL  46          1HG2      VAL  46  -3.715  -1.113  -0.763
  351   2HG2  VAL  46          2HG2      VAL  46  -4.348  -1.959   0.679
  352   3HG2  VAL  46          3HG2      VAL  46  -2.699  -2.286   0.102
  353    H    LYS  47           H        LYS  47  -5.911  -5.498  -1.866
  354    HA   LYS  47           HA       LYS  47  -6.329  -5.277  -4.639
  355   1HB   LYS  47          1HB       LYS  47  -6.380  -7.529  -4.700
  356   2HB   LYS  47          2HB       LYS  47  -5.648  -7.201  -3.123
  357   1HG   LYS  47          1HG       LYS  47  -8.277  -7.368  -2.383
  358   2HG   LYS  47          2HG       LYS  47  -8.369  -8.348  -3.828
  359   1HD   LYS  47          1HD       LYS  47  -6.074  -8.854  -1.941
  360   2HD   LYS  47          2HD       LYS  47  -7.679  -9.093  -1.263
  361   1HE   LYS  47          1HE       LYS  47  -7.181 -10.372  -3.937
  362   2HE   LYS  47          2HE       LYS  47  -6.309 -11.056  -2.565
  363   1HZ   LYS  47          1HZ       LYS  47  -8.384 -11.342  -1.412
  364   2HZ   LYS  47          2HZ       LYS  47  -9.236 -10.658  -2.634
  365   3HZ   LYS  47          3HZ       LYS  47  -8.474 -12.100  -2.865
  366    H    THR  48           H        THR  48  -8.648  -5.278  -2.000
  367    HA   THR  48           HA       THR  48 -11.037  -5.434  -3.612
  368    HB   THR  48           HB       THR  48 -10.454  -4.588  -0.764
  369    HG1  THR  48           HG1      THR  48 -11.546  -6.587  -0.430
  370   1HG2  THR  48          1HG2      THR  48 -12.479  -3.365  -1.309
  371   2HG2  THR  48          2HG2      THR  48 -13.183  -4.801  -2.085
  372   3HG2  THR  48          3HG2      THR  48 -12.894  -4.770  -0.331
  373    H    GLY  49           H        GLY  49  -9.001  -2.648  -2.595
  374   1HA   GLY  49          1HA       GLY  49  -9.169  -0.461  -3.249
  375   2HA   GLY  49          2HA       GLY  49 -10.615  -0.787  -4.209
  376    H    LEU  50           H        LEU  50  -9.511   0.670  -1.497
  377    HA   LEU  50           HA       LEU  50 -11.896   0.650   0.164
  378   1HB   LEU  50          1HB       LEU  50  -9.411   1.204   0.705
  379   2HB   LEU  50          2HB       LEU  50  -9.750   2.776   0.030
  380    HG   LEU  50           HG       LEU  50 -11.872   2.248   1.894
  381   1HD1  LEU  50          1HD1      LEU  50 -10.539   0.305   2.698
  382   2HD1  LEU  50          2HD1      LEU  50  -9.198   1.402   3.070
  383   3HD1  LEU  50          3HD1      LEU  50 -10.731   1.553   3.943
  384   1HD2  LEU  50          1HD2      LEU  50  -9.289   3.801   2.385
  385   2HD2  LEU  50          2HD2      LEU  50 -10.708   4.443   1.539
  386   3HD2  LEU  50          3HD2      LEU  50 -10.824   4.000   3.253
  387    H    ASN  51           H        ASN  51 -12.270   3.582   0.408
  388    HA   ASN  51           HA       ASN  51 -14.264   3.854  -1.645
  389   1HB   ASN  51          1HB       ASN  51 -13.300   6.128   0.150
  390   2HB   ASN  51          2HB       ASN  51 -14.867   5.908  -0.610
  391   1HD2  ASN  51          1HD2      ASN  51 -12.770   5.071   2.077
  392   2HD2  ASN  51          2HD2      ASN  51 -13.761   3.789   2.729
  393    H    ALA  52           H        ALA  52 -11.542   5.960  -0.915
  394    HA   ALA  52           HA       ALA  52 -11.464   7.271  -3.516
  395   1HB   ALA  52          1HB       ALA  52 -10.901   8.464  -1.485
  396   2HB   ALA  52          2HB       ALA  52  -9.680   7.256  -1.054
  397   3HB   ALA  52          3HB       ALA  52  -9.423   8.324  -2.462
  398    H    MET  53           H        MET  53 -10.156   4.353  -2.192
  399    HA   MET  53           HA       MET  53  -7.829   4.347  -3.997
  400   1HB   MET  53          1HB       MET  53  -7.991   3.777  -1.459
  401   2HB   MET  53          2HB       MET  53  -8.480   2.176  -2.019
  402   1HG   MET  53          1HG       MET  53  -6.344   1.943  -3.232
  403   2HG   MET  53          2HG       MET  53  -6.006   3.648  -2.926
  404   1HE   MET  53          1HE       MET  53  -6.923   0.310  -1.020
  405   2HE   MET  53          2HE       MET  53  -5.373   0.183  -1.885
  406   3HE   MET  53          3HE       MET  53  -5.420   0.150  -0.098
  407    HA   PRO  54           HA       PRO  54 -10.402   1.965  -6.748
  408   1HB   PRO  54          1HB       PRO  54  -8.627   1.454  -8.824
  409   2HB   PRO  54          2HB       PRO  54  -9.437   3.015  -8.517
  410   1HG   PRO  54          1HG       PRO  54  -6.646   2.184  -7.765
  411   2HG   PRO  54          2HG       PRO  54  -7.193   3.743  -8.439
  412   1HD   PRO  54          1HD       PRO  54  -6.706   3.319  -5.759
  413   2HD   PRO  54          2HD       PRO  54  -7.922   4.495  -6.341
  414    HA   PRO  55           HA       PRO  55  -9.795  -2.247  -5.659
  415   1HB   PRO  55          1HB       PRO  55 -10.902  -3.660  -7.733
  416   2HB   PRO  55          2HB       PRO  55 -11.855  -2.733  -6.544
  417   1HG   PRO  55          1HG       PRO  55 -11.058  -1.907  -9.326
  418   2HG   PRO  55          2HG       PRO  55 -12.629  -1.683  -8.503
  419   1HD   PRO  55          1HD       PRO  55 -10.734   0.294  -8.714
  420   2HD   PRO  55          2HD       PRO  55 -11.844   0.184  -7.316
  421    H    GLY  56           H        GLY  56  -7.815  -3.207  -5.515
  422   1HA   GLY  56          1HA       GLY  56  -5.999  -4.400  -6.472
  423   2HA   GLY  56          2HA       GLY  56  -6.452  -3.813  -8.028
  424    H    GLY  57           H        GLY  57  -6.211  -1.672  -5.282
  425   1HA   GLY  57          1HA       GLY  57  -4.785  -0.078  -4.548
  426   2HA   GLY  57          2HA       GLY  57  -3.467  -0.972  -5.310
  427    H    MET  58           H        MET  58  -3.645  -0.740  -7.811
  428    HA   MET  58           HA       MET  58  -4.663   1.476  -9.117
  429   1HB   MET  58          1HB       MET  58  -2.744   2.616  -7.699
  430   2HB   MET  58          2HB       MET  58  -1.673   1.842  -8.854
  431   1HG   MET  58          1HG       MET  58  -3.503   2.963 -10.570
  432   2HG   MET  58          2HG       MET  58  -3.655   4.061  -9.206
  433   1HE   MET  58          1HE       MET  58  -0.597   2.160 -10.896
  434   2HE   MET  58          2HE       MET  58  -1.626   2.807 -12.196
  435   3HE   MET  58          3HE       MET  58  -0.003   3.482 -11.927
  436    H    CYS  59           H        CYS  59  -1.928  -0.825  -8.947
  437    HA   CYS  59           HA       CYS  59  -1.636  -0.984 -11.835
  438   1HB   CYS  59          1HB       CYS  59   0.284  -1.932 -11.362
  439   2HB   CYS  59          2HB       CYS  59  -0.023  -1.712  -9.643
  440    H    THR  60           H        THR  60  -3.534  -2.732  -9.423
  441    HA   THR  60           HA       THR  60  -5.082  -4.294  -9.567
  442    HB   THR  60           HB       THR  60  -5.078  -4.109 -12.597
  443    HG1  THR  60           HG1      THR  60  -6.511  -2.389 -12.256
  444   1HG2  THR  60          1HG2      THR  60  -6.501  -5.890 -11.564
  445   2HG2  THR  60          2HG2      THR  60  -7.260  -4.654 -10.533
  446   3HG2  THR  60          3HG2      THR  60  -7.475  -4.597 -12.292
  447    H    ASP  61           H        ASP  61  -2.864  -5.057 -12.286
  448    HA   ASP  61           HA       ASP  61  -3.033  -7.922 -11.687
  449   1HB   ASP  61          1HB       ASP  61  -2.954  -6.906 -14.003
  450   2HB   ASP  61          2HB       ASP  61  -1.292  -6.390 -13.675
  451    H    CYS  62           H        CYS  62  -2.195  -6.910  -9.368
  452    HA   CYS  62           HA       CYS  62   0.806  -7.062  -9.284
  453   1HB   CYS  62          1HB       CYS  62  -0.535  -6.033  -6.891
  454   2HB   CYS  62          2HB       CYS  62   0.852  -5.449  -7.779
  455    H    THR  63           H        THR  63   1.668  -8.915  -8.444
  456    HA   THR  63           HA       THR  63  -0.057 -10.947  -7.332
  457    HB   THR  63           HB       THR  63   2.976 -10.872  -7.594
  458    HG1  THR  63           HG1      THR  63   2.700 -11.509  -9.681
  459   1HG2  THR  63          1HG2      THR  63   2.041 -12.915  -6.447
  460   2HG2  THR  63          2HG2      THR  63   0.950 -13.160  -7.833
  461   3HG2  THR  63          3HG2      THR  63   2.704 -13.305  -8.038
  462    H    ASP  64           H        ASP  64   0.124 -11.886  -5.113
  463    HA   ASP  64           HA       ASP  64   0.462 -10.129  -2.998
  464   1HB   ASP  64          1HB       ASP  64   0.301 -13.074  -3.350
  465   2HB   ASP  64          2HB       ASP  64   0.976 -12.528  -1.830
  466    H    GLU  65           H        GLU  65   3.025 -12.176  -4.432
  467    HA   GLU  65           HA       GLU  65   5.050 -11.546  -2.575
  468   1HB   GLU  65          1HB       GLU  65   6.599 -12.346  -4.232
  469   2HB   GLU  65          2HB       GLU  65   5.144 -13.348  -4.218
  470   1HG   GLU  65          1HG       GLU  65   4.326 -11.913  -6.200
  471   2HG   GLU  65          2HG       GLU  65   5.981 -11.297  -6.306
  472    H    ASP  66           H        ASP  66   3.883  -9.575  -5.353
  473    HA   ASP  66           HA       ASP  66   5.965  -7.519  -4.922
  474   1HB   ASP  66          1HB       ASP  66   3.762  -8.019  -6.974
  475   2HB   ASP  66          2HB       ASP  66   4.557  -6.443  -6.844
  476    H    TYR  67           H        TYR  67   2.476  -8.018  -4.283
  477    HA   TYR  67           HA       TYR  67   1.939  -5.329  -3.430
  478   1HB   TYR  67          1HB       TYR  67   0.669  -8.025  -3.318
  479   2HB   TYR  67          2HB       TYR  67   0.215  -6.994  -1.991
  480    HD1  TYR  67           HD1      TYR  67  -0.030  -4.307  -3.238
  481    HD2  TYR  67           HD2      TYR  67  -1.367  -8.227  -4.457
  482    HE1  TYR  67           HE1      TYR  67  -1.751  -3.283  -4.707
  483    HE2  TYR  67           HE2      TYR  67  -3.208  -7.188  -5.739
  484    HH   TYR  67           HH       TYR  67  -3.836  -5.249  -6.761
  485    H    LYS  68           H        LYS  68   2.778  -8.277  -1.623
  486    HA   LYS  68           HA       LYS  68   2.523  -6.990   0.953
  487   1HB   LYS  68          1HB       LYS  68   2.905  -8.961   1.928
  488   2HB   LYS  68          2HB       LYS  68   2.414  -9.590   0.356
  489   1HG   LYS  68          1HG       LYS  68   4.901  -9.776  -0.219
  490   2HG   LYS  68          2HG       LYS  68   5.235  -9.174   1.427
  491   1HD   LYS  68          1HD       LYS  68   3.881 -11.152   2.291
  492   2HD   LYS  68          2HD       LYS  68   3.957 -11.789   0.638
  493   1HE   LYS  68          1HE       LYS  68   6.635 -10.911   1.367
  494   2HE   LYS  68          2HE       LYS  68   5.993 -11.741   2.776
  495   1HZ   LYS  68          1HZ       LYS  68   5.509 -13.623   1.289
  496   2HZ   LYS  68          2HZ       LYS  68   6.186 -12.804   0.029
  497   3HZ   LYS  68          3HZ       LYS  68   7.114 -13.248   1.313
  498    H    ALA  69           H        ALA  69   5.286  -7.934  -1.168
  499    HA   ALA  69           HA       ALA  69   7.365  -6.904   0.407
  500   1HB   ALA  69          1HB       ALA  69   7.888  -8.276  -1.416
  501   2HB   ALA  69          2HB       ALA  69   7.024  -7.234  -2.549
  502   3HB   ALA  69          3HB       ALA  69   8.546  -6.675  -1.815
  503    H    ALA  70           H        ALA  70   5.025  -5.137  -1.624
  504    HA   ALA  70           HA       ALA  70   6.526  -2.594  -1.563
  505   1HB   ALA  70          1HB       ALA  70   4.860  -3.065  -3.295
  506   2HB   ALA  70          2HB       ALA  70   3.567  -3.117  -2.076
  507   3HB   ALA  70          3HB       ALA  70   4.439  -1.610  -2.369
  508    H    ILE  71           H        ILE  71   3.835  -3.903   0.254
  509    HA   ILE  71           HA       ILE  71   3.592  -1.738   2.155
  510    HB   ILE  71           HB       ILE  71   2.611  -4.591   1.899
  511   1HG1  ILE  71          1HG1      ILE  71   1.463  -1.892   1.434
  512   2HG1  ILE  71          2HG1      ILE  71   1.623  -3.254   0.373
  513   1HG2  ILE  71          1HG2      ILE  71   2.946  -4.489   4.183
  514   2HG2  ILE  71          2HG2      ILE  71   2.325  -2.841   4.324
  515   3HG2  ILE  71          3HG2      ILE  71   1.228  -4.190   3.940
  516   1HD1  ILE  71          1HD1      ILE  71  -0.073  -4.521   1.618
  517   2HD1  ILE  71          2HD1      ILE  71  -0.296  -3.140   2.730
  518   3HD1  ILE  71          3HD1      ILE  71  -0.684  -2.969   1.019
  519    H    GLU  72           H        GLU  72   5.408  -4.715   2.187
  520    HA   GLU  72           HA       GLU  72   6.629  -4.431   4.781
  521   1HB   GLU  72          1HB       GLU  72   7.378  -6.185   2.445
  522   2HB   GLU  72          2HB       GLU  72   8.186  -6.193   4.012
  523   1HG   GLU  72          1HG       GLU  72   5.937  -6.688   5.097
  524   2HG   GLU  72          2HG       GLU  72   5.286  -6.967   3.486
  525    H    PHE  73           H        PHE  73   7.793  -3.550   1.518
  526    HA   PHE  73           HA       PHE  73  10.299  -2.538   2.317
  527   1HB   PHE  73          1HB       PHE  73   9.591  -2.875  -0.005
  528   2HB   PHE  73          2HB       PHE  73   8.449  -1.544   0.121
  529    HD1  PHE  73           HD1      PHE  73  12.067  -2.464   0.218
  530    HD2  PHE  73           HD2      PHE  73   9.206   0.734  -0.209
  531    HE1  PHE  73           HE1      PHE  73  13.870  -0.947  -0.576
  532    HE2  PHE  73           HE2      PHE  73  11.019   2.243  -0.991
  533    HZ   PHE  73           HZ       PHE  73  13.340   1.376  -1.229
  534    H    MET  74           H        MET  74   7.098  -0.994   2.586
  535    HA   MET  74           HA       MET  74   8.188   1.600   3.375
  536   1HB   MET  74          1HB       MET  74   5.415   0.397   3.348
  537   2HB   MET  74          2HB       MET  74   5.761   2.057   3.918
  538   1HG   MET  74          1HG       MET  74   6.805   2.512   1.697
  539   2HG   MET  74          2HG       MET  74   6.310   0.931   1.104
  540   1HE   MET  74          1HE       MET  74   3.983   0.824  -0.433
  541   2HE   MET  74          2HE       MET  74   3.479   0.314   1.192
  542   3HE   MET  74          3HE       MET  74   2.518   1.506   0.314
  543    H    SER  75           H        SER  75   5.877  -0.318   5.331
  544    HA   SER  75           HA       SER  75   7.759  -0.445   7.567
  545   1HB   SER  75          1HB       SER  75   6.668   1.935   7.654
  546   2HB   SER  75          2HB       SER  75   5.241   1.065   8.230
  547    HG   SER  75           HG       SER  75   6.484   1.651   9.988
  548    H    LYS  76           H        LYS  76   6.403  -2.341   5.925
  549    HA   LYS  76           HA       LYS  76   5.033  -4.196   6.067
  550   1HB   LYS  76          1HB       LYS  76   5.892  -5.596   8.079
  551   2HB   LYS  76          2HB       LYS  76   6.976  -5.169   6.779
  552   1HG   LYS  76          1HG       LYS  76   7.980  -3.360   7.994
  553   2HG   LYS  76          2HG       LYS  76   6.896  -3.607   9.379
  554   1HD   LYS  76          1HD       LYS  76   8.739  -5.774   8.257
  555   2HD   LYS  76          2HD       LYS  76   9.307  -4.582   9.437
  556   1HE   LYS  76          1HE       LYS  76   7.619  -5.274  11.067
  557   2HE   LYS  76          2HE       LYS  76   6.902  -6.411   9.916
  558   1HZ   LYS  76          1HZ       LYS  76   8.955  -7.645   9.919
  559   2HZ   LYS  76          2HZ       LYS  76   9.647  -6.593  10.979
  560   3HZ   LYS  76          3HZ       LYS  76   8.368  -7.516  11.450
  561    H    ALA  77           H        ALA  77   3.287  -2.546   6.319
  562    HA   ALA  77           HA       ALA  77   1.397  -3.871   8.109
  563   1HB   ALA  77          1HB       ALA  77   2.657  -1.875   9.337
  564   2HB   ALA  77          2HB       ALA  77   1.455  -0.891   8.522
  565   3HB   ALA  77          3HB       ALA  77   0.945  -2.237   9.564
  566    H    LYS  78           H        LYS  78   1.347  -0.720   6.485
  567    HA   LYS  78           HA       LYS  78  -1.145  -1.511   5.048
  568   1HB   LYS  78          1HB       LYS  78  -2.018   0.641   5.537
  569   2HB   LYS  78          2HB       LYS  78  -1.393  -0.022   7.033
  570   1HG   LYS  78          1HG       LYS  78  -0.036   1.802   7.275
  571   2HG   LYS  78          2HG       LYS  78   0.706   1.494   5.711
  572   1HD   LYS  78          1HD       LYS  78  -1.219   2.632   4.555
  573   2HD   LYS  78          2HD       LYS  78  -1.927   2.949   6.131
  574   1HE   LYS  78          1HE       LYS  78  -0.849   4.864   5.984
  575   2HE   LYS  78          2HE       LYS  78   0.498   3.977   6.640
  576   1HZ   LYS  78          1HZ       LYS  78   1.264   3.583   4.361
  577   2HZ   LYS  78          2HZ       LYS  78   0.059   4.466   3.752
  578   3HZ   LYS  78          3HZ       LYS  78   1.238   5.211   4.632
  579    HHA  HEC  90           HHA      HEC  90  -6.002   4.158   3.279
  580    HHB  HEC  90           HHB      HEC  90  -1.456  -0.047   1.181
  581    HHC  HEC  90           HHC      HEC  90  -1.943   2.629  -4.686
  582    HHD  HEC  90           HHD      HEC  90  -5.460   7.413  -2.212
  583   1HMA  HEC  90          1HMA      HEC  90  -4.033  -1.030   2.837
  584   2HMA  HEC  90          2HMA      HEC  90  -2.296  -0.756   3.085
  585   3HMA  HEC  90          3HMA      HEC  90  -3.461  -0.395   4.380
  586   1HAA  HEC  90          1HAA      HEC  90  -5.186   2.931   4.988
  587   2HAA  HEC  90          2HAA      HEC  90  -4.513   1.360   5.357
  588   1HBA  HEC  90          1HBA      HEC  90  -6.384   0.217   4.299
  589   2HBA  HEC  90          2HBA      HEC  90  -7.015   1.741   3.666
  590   1HMB  HEC  90          1HMB      HEC  90  -0.459  -1.635  -0.936
  591   2HMB  HEC  90          2HMB      HEC  90   0.913  -0.829  -1.699
  592   3HMB  HEC  90          3HMB      HEC  90   0.512  -0.446  -0.044
  593    HAB  HEC  90           HAB      HEC  90  -0.339   1.293  -4.756
  594   1HBB  HEC  90          1HBB      HEC  90  -1.240  -0.970  -4.749
  595   2HBB  HEC  90          2HBB      HEC  90   0.448  -0.923  -5.290
  596   3HBB  HEC  90          3HBB      HEC  90   0.055  -1.506  -3.666
  597   1HMC  HEC  90          1HMC      HEC  90  -3.707   4.746  -6.753
  598   2HMC  HEC  90          2HMC      HEC  90  -2.344   5.806  -6.284
  599   3HMC  HEC  90          3HMC      HEC  90  -2.191   4.074  -6.189
  600    HAC  HEC  90           HAC      HEC  90  -5.783   7.305  -4.406
  601   1HBC  HEC  90          1HBC      HEC  90  -5.396   6.183  -6.603
  602   2HBC  HEC  90          2HBC      HEC  90  -5.549   7.952  -6.624
  603   3HBC  HEC  90          3HBC      HEC  90  -3.948   7.237  -6.765
  604   1HMD  HEC  90          1HMD      HEC  90  -7.551   7.959  -0.969
  605   2HMD  HEC  90          2HMD      HEC  90  -7.574   8.572   0.689
  606   3HMD  HEC  90          3HMD      HEC  90  -6.229   8.967  -0.376
  607   1HAD  HEC  90          1HAD      HEC  90  -7.654   5.739   3.173
  608   2HAD  HEC  90          2HAD      HEC  90  -8.332   6.813   1.974
  609   1HBD  HEC  90          1HBD      HEC  90  -6.644   8.598   2.773
  610   2HBD  HEC  90          2HBD      HEC  90  -6.333   7.526   4.143