#	AA	SS3	SS8	ASA 	HSEa-u	HSEa-d	CN13	theta	tau 	phi 	psi 	P(3-C)	P(3-E)	P(3-H)	P(8-C)	P(8-S)	P(8-T)	P(8-H)	P(8-G)	P(8-I)	P(8-E)	P(8-B)	
0	M	C	C	112.80	6.70	12.19	20.30	117.57	-161.95	-97.27	134.22	99.43	0.52	0.05	99.35	0.19	0.07	0.02	0.01	0.00	0.28	0.08
1	A	C	C	74.30	4.71	10.73	17.19	116.28	-151.47	-96.10	138.72	83.67	10.61	5.72	76.07	1.86	6.31	2.08	2.70	0.00	8.37	2.61
2	S	C	C	81.41	3.66	10.26	15.54	113.51	-152.11	-98.27	130.12	77.90	14.61	7.49	50.22	14.27	13.57	2.02	5.55	0.01	11.26	3.10
3	W	C	C	148.62	7.03	8.93	17.25	114.07	-137.39	-94.91	130.15	76.97	15.52	7.50	50.82	15.06	11.43	2.09	5.48	0.02	11.47	3.62
4	S	C	C	78.75	3.56	12.40	17.35	113.94	-144.78	-94.53	134.43	82.85	11.45	5.69	55.01	19.51	8.41	2.13	3.60	0.01	8.11	3.21
5	H	C	C	106.09	7.36	9.83	18.70	117.68	-138.33	-104.58	133.02	90.68	4.94	4.37	63.07	25.49	2.50	3.02	1.24	0.00	2.72	1.95
6	P	C	C	83.30	5.10	12.30	18.94	107.61	-117.50	-68.61	137.23	71.92	3.21	24.87	44.80	11.60	15.60	16.61	8.24	0.02	2.10	1.03
7	Q	C	C	114.64	5.56	11.85	18.61	103.19	-136.30	-80.17	1.33	57.16	8.48	34.36	30.25	12.48	15.32	22.18	11.57	0.21	5.61	2.38
8	F	C	C	112.55	8.13	10.53	19.53	108.46	78.35	-91.16	79.79	48.18	16.03	35.78	28.30	10.72	10.23	23.61	11.57	0.33	11.47	3.78
9	E	C	C	115.54	5.30	12.69	19.34	110.07	97.86	-87.88	113.34	53.63	15.45	30.92	35.77	8.75	9.23	22.28	8.76	0.17	11.52	3.52
10	K	C	C	135.84	4.62	12.23	18.28	108.57	-121.15	-85.21	105.26	66.11	10.57	23.32	32.86	12.70	21.51	16.06	6.68	0.23	6.75	3.20
11	G	C	C	45.46	6.06	11.76	19.13	111.71	2.76	89.03	151.14	81.26	5.20	13.54	34.19	17.60	30.50	7.35	5.50	0.04	2.86	1.96
12	G	C	C	49.78	4.89	12.24	18.54	110.33	-135.46	-81.70	112.01	84.46	4.81	10.73	39.30	21.16	24.88	3.67	6.42	0.02	2.45	2.10
13	G	C	C	51.21	4.13	11.97	17.52	110.35	-32.87	84.24	169.82	83.78	5.64	10.59	40.64	20.58	23.39	2.81	7.26	0.02	2.97	2.33
14	A	C	C	77.19	4.75	11.16	17.39	108.98	-64.83	-86.56	111.50	79.51	9.36	11.13	43.59	18.87	17.73	3.19	7.69	0.03	5.25	3.66
15	R	C	C	163.71	3.17	11.53	16.26	110.26	73.44	-91.26	112.13	79.40	10.86	9.74	43.23	19.12	17.95	2.96	6.48	0.03	6.01	4.23
16	G	C	C	48.29	5.38	10.74	17.55	112.28	-142.01	-93.37	149.52	85.31	7.80	6.89	46.46	20.64	18.69	1.87	4.96	0.01	4.36	3.00
17	G	C	C	53.22	3.51	11.70	16.62	113.28	-33.06	-1.50	79.36	88.53	5.67	5.80	41.92	24.69	22.43	1.31	4.44	0.01	3.05	2.15
18	S	C	C	85.93	2.80	11.14	15.38	110.07	-74.81	-91.61	110.14	86.75	6.53	6.72	44.11	23.29	19.71	1.56	5.19	0.01	3.33	2.80
19	G	C	C	52.53	4.08	10.93	16.53	110.42	-106.70	-94.05	104.90	85.53	5.83	8.65	43.73	23.10	19.04	2.17	6.41	0.01	3.04	2.51
20	G	C	C	51.71	4.18	11.23	16.83	112.30	-142.81	-102.42	137.24	80.59	5.83	13.57	38.94	21.96	20.41	3.43	9.78	0.02	3.11	2.35
21	G	C	C	49.12	4.44	11.64	17.53	115.37	-154.94	-110.04	159.34	75.22	6.93	17.86	41.30	17.75	16.83	4.66	12.99	0.02	4.05	2.41
22	S	C	C	78.84	4.41	11.73	17.49	110.54	-116.49	-90.69	119.34	67.57	9.78	22.65	42.34	12.70	12.93	5.73	17.03	0.02	6.37	2.89
23	W	C	C	150.40	6.70	10.08	18.22	113.25	-151.29	-94.82	127.86	67.17	13.27	19.57	38.04	14.99	15.64	5.54	13.33	0.08	8.63	3.75
24	S	C	C	78.13	3.76	12.58	17.81	113.83	-156.06	-97.58	129.88	72.54	12.39	15.08	41.65	20.07	11.72	5.20	9.45	0.06	7.59	4.27
25	H	C	C	107.32	7.04	10.15	18.78	117.53	-138.64	-99.17	133.42	92.06	4.23	3.71	66.42	24.25	1.70	2.67	0.98	0.00	2.22	1.75
26	P	C	C	78.24	5.73	11.47	18.87	111.42	-108.74	-68.04	149.07	72.01	2.52	25.47	54.15	7.27	10.36	16.87	8.80	0.00	1.61	0.92
27	Q	C	C	124.11	3.76	12.18	17.36	108.81	-121.19	-82.84	118.12	55.34	7.30	37.36	33.35	10.19	11.93	24.24	13.19	0.09	4.81	2.20
28	F	C	H	114.00	7.10	9.53	17.92	111.19	-138.82	-90.42	122.44	45.04	12.98	41.98	27.46	9.07	9.03	27.92	13.87	0.22	9.43	2.99
29	E	C	C	113.69	4.98	11.33	17.87	111.00	-146.62	-90.10	119.85	47.49	13.50	39.01	31.34	7.57	8.73	28.02	10.92	0.12	10.32	2.97
30	K	C	H	131.53	3.98	11.46	16.98	105.74	-127.56	-83.98	72.96	53.27	7.90	38.84	22.53	10.58	21.39	28.39	9.15	0.29	5.43	2.22
31	G	C	T	42.81	5.03	12.58	18.80	105.22	8.76	-21.01	-33.92	63.53	2.87	33.60	21.76	13.57	29.42	24.31	8.08	0.11	1.59	1.15
32	F	C	H	120.71	6.26	11.11	18.59	99.73	40.57	-77.77	-16.33	54.08	3.79	42.13	28.18	12.20	15.01	30.37	10.58	0.11	2.16	1.40
33	E	H	H	115.12	4.55	12.89	18.78	100.62	68.44	-76.42	-24.18	47.05	5.72	47.23	25.50	9.74	12.91	34.27	12.01	0.13	3.84	1.59
34	N	C	H	90.40	5.65	13.56	20.34	101.56	61.83	-79.85	-8.07	48.19	5.98	45.84	29.66	7.74	11.16	33.40	12.18	0.06	4.34	1.47
35	L	H	H	84.70	7.27	12.67	21.22	101.15	82.37	-76.88	-21.89	44.61	7.32	48.07	29.47	7.06	8.76	35.71	11.81	0.06	5.57	1.56
36	Y	H	H	126.79	6.00	13.74	20.87	104.16	68.85	-84.46	-0.43	43.89	11.62	44.49	28.15	7.33	9.24	34.10	9.71	0.12	8.98	2.36
37	F	C	C	108.05	7.24	11.64	20.15	104.11	79.43	-84.00	28.19	49.79	12.54	37.67	33.12	7.53	9.55	30.17	7.34	0.09	9.58	2.62
38	Q	C	C	113.42	4.39	12.50	18.34	104.94	82.85	-82.25	2.61	58.22	8.42	33.36	34.21	9.71	14.23	28.82	4.92	0.08	6.08	1.95
39	G	C	C	46.89	4.01	12.61	17.81	105.35	36.76	-77.52	-5.29	66.62	4.48	28.89	32.49	15.02	19.36	24.07	4.93	0.05	2.79	1.27
40	M	C	H	114.20	4.87	11.11	17.39	104.04	62.18	-81.11	15.87	58.09	3.75	38.17	29.09	14.51	15.43	32.13	5.41	0.08	2.17	1.18
41	K	C	H	138.28	3.16	13.01	17.35	103.24	104.19	-79.36	1.49	49.27	4.58	46.15	26.61	12.41	12.17	39.79	4.83	0.11	2.79	1.29
42	K	H	H	114.53	5.83	13.27	20.26	103.89	80.26	-82.25	16.26	42.25	5.17	52.58	29.45	6.98	7.37	47.82	3.61	0.03	3.52	1.21
43	T	H	H	65.90	7.78	13.64	22.43	102.40	61.55	-76.38	-33.58	28.22	2.51	69.27	21.37	3.94	4.33	66.06	2.11	0.01	1.71	0.48
44	A	H	H	62.36	5.54	16.05	22.19	95.32	53.84	-67.15	-37.55	11.46	1.16	87.38	7.73	1.82	3.05	84.58	1.72	0.02	0.90	0.19
45	I	H	H	85.03	5.37	17.52	23.22	94.37	51.90	-67.81	-40.55	6.44	0.91	92.66	4.07	0.96	2.00	90.87	1.19	0.01	0.78	0.11
46	A	H	H	39.25	9.27	16.61	26.70	94.02	53.41	-66.35	-40.93	3.71	0.36	95.93	2.32	0.52	1.21	94.88	0.75	0.01	0.27	0.05
47	I	H	H	73.35	7.90	18.19	26.59	93.13	51.13	-65.74	-41.57	1.62	0.09	98.29	0.77	0.23	0.70	97.85	0.38	0.00	0.06	0.01
48	A	H	H	53.41	5.27	19.92	25.06	92.41	51.36	-65.01	-41.46	1.45	0.07	98.48	0.57	0.18	0.75	98.12	0.32	0.00	0.04	0.01
49	V	H	H	64.59	7.39	19.87	27.59	92.46	49.72	-65.72	-41.50	1.79	0.05	98.15	0.55	0.23	1.08	97.76	0.33	0.01	0.03	0.01
50	A	H	H	35.63	10.50	18.48	29.70	92.51	51.09	-64.44	-42.07	2.17	0.05	97.78	0.64	0.30	1.34	97.37	0.30	0.01	0.03	0.02
51	L	H	H	76.49	6.64	21.03	27.74	92.06	49.89	-64.59	-41.96	2.43	0.05	97.51	0.74	0.34	1.50	97.00	0.36	0.01	0.02	0.02
52	A	H	H	50.06	5.37	21.19	26.42	91.81	50.02	-64.21	-41.45	3.90	0.05	96.05	0.90	0.43	2.68	95.45	0.49	0.01	0.03	0.02
53	G	H	H	23.07	9.29	19.15	29.22	92.30	50.88	-65.19	-41.50	7.64	0.10	92.26	1.58	0.87	5.46	91.30	0.68	0.02	0.04	0.04
54	F	H	H	84.61	9.03	19.83	29.11	92.17	50.54	-64.08	-41.73	3.82	0.09	96.10	1.46	0.65	2.01	95.23	0.57	0.01	0.04	0.03
55	A	H	H	50.15	5.41	20.59	25.97	91.94	51.15	-64.40	-41.26	3.64	0.11	96.25	1.59	0.51	1.75	95.54	0.51	0.01	0.07	0.03
56	T	H	H	61.22	5.55	20.43	26.17	92.19	49.66	-65.36	-41.98	3.89	0.20	95.91	1.84	0.55	1.84	94.99	0.60	0.01	0.13	0.04
57	V	H	H	56.42	8.42	18.70	27.63	92.03	49.09	-64.91	-42.16	3.01	0.17	96.82	1.30	0.45	1.48	95.96	0.65	0.01	0.12	0.03
58	A	H	H	43.74	6.61	17.95	25.38	91.86	50.54	-63.99	-41.68	4.60	0.16	95.24	1.48	0.54	2.69	94.19	0.93	0.02	0.12	0.04
59	Q	H	H	97.00	3.35	19.16	22.42	92.28	50.47	-65.64	-39.47	10.25	0.21	89.54	2.52	1.12	6.76	88.01	1.36	0.04	0.12	0.07
60	A	H	H	47.31	5.58	16.55	23.14	92.66	51.47	-66.03	-38.48	16.61	0.38	83.01	6.01	2.56	8.99	79.95	2.08	0.05	0.19	0.16
61	E	H	H	89.53	6.96	15.19	22.95	93.18	53.22	-67.90	-34.76	22.94	0.76	76.31	9.95	3.57	10.88	71.23	3.62	0.06	0.41	0.30
62	Q	H	H	104.90	4.67	14.78	20.33	94.55	55.63	-70.01	-30.82	27.79	1.15	71.07	13.12	4.12	12.04	64.37	5.21	0.05	0.69	0.40
63	K	H	H	127.87	3.21	14.92	18.94	96.59	59.47	-72.28	-28.99	33.09	1.76	65.15	17.27	5.50	12.09	57.73	5.73	0.06	1.06	0.57
64	L	H	H	96.51	5.02	13.28	19.32	100.08	58.08	-80.65	-13.32	41.37	2.64	55.99	24.18	5.70	13.07	49.71	4.89	0.04	1.53	0.88
65	I	C	H	88.39	6.93	10.67	18.88	105.74	72.52	-87.67	22.37	53.96	3.20	42.84	33.14	9.28	12.18	38.82	3.72	0.04	1.61	1.21
66	S	C	C	71.08	3.44	11.65	16.33	108.18	88.26	-87.96	94.63	70.08	2.10	27.83	43.53	9.48	15.67	25.64	3.71	0.01	1.09	0.86
67	E	C	C	128.15	3.36	10.74	15.51	102.59	69.46	-80.93	-2.55	64.84	1.64	33.52	30.37	15.41	19.72	25.06	7.83	0.03	0.77	0.81
68	E	C	T	132.12	2.83	11.23	15.28	100.38	69.38	-77.66	-9.95	61.73	1.18	37.09	22.87	13.96	25.50	25.39	11.03	0.05	0.53	0.67
69	D	C	C	93.84	4.13	11.57	17.11	100.22	66.92	-79.92	-7.89	59.60	1.94	38.46	27.41	12.45	20.10	24.24	13.83	0.05	0.94	0.98
70	L	C	C	98.69	5.57	11.96	18.90	98.29	82.30	-76.44	-21.95	55.12	4.66	40.22	29.29	11.43	14.63	25.02	15.17	0.09	2.67	1.69
71	F	C	C	120.92	5.94	12.66	19.78	101.72	61.13	-87.09	-4.01	58.58	8.56	32.86	32.72	11.38	14.83	22.01	10.88	0.13	5.52	2.53
72	S	C	C	61.08	6.34	13.63	21.25	104.96	79.45	-87.88	27.35	66.69	7.82	25.49	42.47	13.43	10.65	19.15	6.80	0.06	4.94	2.49
73	T	C	C	60.84	8.69	12.95	22.85	113.06	120.09	-90.55	131.05	71.12	4.09	24.79	46.83	20.09	3.73	24.16	1.86	0.02	2.17	1.16
74	P	H	H	71.74	6.97	14.55	22.73	101.74	-111.84	-66.61	-6.43	47.61	3.89	48.50	34.80	6.30	6.11	46.37	2.88	0.01	2.86	0.67
75	V	H	H	81.95	5.96	15.46	22.26	98.27	60.34	-71.98	-37.62	28.23	8.70	63.07	19.59	4.09	5.49	57.88	3.87	0.05	8.08	0.95
76	W	H	H	107.20	8.30	15.53	24.67	95.16	54.49	-68.23	-39.53	19.39	12.66	67.95	13.34	2.82	4.08	61.53	4.29	0.06	12.96	0.93
77	I	H	H	68.11	8.90	14.77	24.67	93.90	52.87	-67.20	-40.61	14.55	10.24	75.21	9.94	2.28	3.30	68.79	4.04	0.05	10.94	0.66
78	S	H	H	53.32	5.12	15.61	21.97	93.08	52.98	-65.89	-39.95	16.31	7.40	76.28	10.48	2.61	4.45	69.48	4.53	0.06	7.77	0.63
79	Q	H	H	100.32	4.32	15.94	21.12	93.20	50.81	-67.45	-37.91	19.66	4.91	75.42	10.50	3.39	7.24	68.34	5.02	0.10	4.74	0.68
80	A	H	H	50.62	7.73	12.73	21.73	93.68	52.63	-69.67	-32.51	26.11	3.44	70.45	11.88	4.69	11.26	63.72	4.79	0.13	2.77	0.75
81	Q	H	H	103.27	5.29	13.21	19.76	97.25	55.96	-74.87	-19.94	42.14	3.33	54.53	14.67	7.91	20.95	49.03	4.11	0.18	2.19	0.97
82	G	C	H	48.74	3.80	13.23	18.15	99.70	38.62	-31.65	-2.31	56.65	4.51	38.84	23.13	9.73	24.34	34.27	4.32	0.10	2.96	1.16
83	I	C	C	105.47	4.81	10.39	16.78	104.03	87.21	-81.88	3.94	54.80	10.76	34.43	31.79	10.74	13.11	29.24	4.96	0.15	7.62	2.40
84	R	C	C	158.01	3.08	10.29	15.03	105.31	62.74	-85.53	36.04	56.76	13.06	30.18	35.17	8.33	13.36	25.93	4.59	0.12	9.12	3.38
85	A	C	C	81.11	3.29	9.77	14.77	105.31	67.53	-84.40	52.20	78.21	4.51	17.28	61.09	2.62	13.50	16.11	2.18	0.00	3.06	1.44
86	G	C	C	50.36	3.87	13.09	18.37	112.68	-15.73	93.66	-6.17	99.69	0.22	0.10	99.21	0.32	0.23	0.06	0.01	0.00	0.13	0.03