#	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	110.37	6.53	13.80	21.71	116.67	-155.43	-94.65	132.65	99.77	0.23	0.01	99.79	0.05	0.01	0.00	0.00	0.00	0.13	0.01
1	S	C	C	69.78	6.43	11.73	19.88	119.02	-158.39	-101.89	142.16	79.45	19.51	1.04	76.38	1.24	1.69	0.27	0.50	0.00	18.41	1.52
2	H	C	C	104.06	8.62	12.35	22.09	121.40	-162.81	-111.09	135.88	59.82	38.58	1.60	40.50	15.73	3.71	0.33	1.22	0.00	37.39	1.12
3	S	E	E	56.78	8.34	16.34	25.70	123.58	-150.86	-110.79	143.46	39.54	58.78	1.68	32.05	5.88	1.20	0.47	0.98	0.00	58.75	0.67
4	V	E	E	38.96	17.62	14.24	31.61	123.95	-160.36	-119.41	134.23	13.94	85.07	0.99	12.61	1.07	0.25	0.65	0.29	0.00	84.61	0.51
5	K	E	E	105.78	7.45	21.77	29.99	119.30	-153.78	-107.65	129.19	8.65	90.65	0.70	7.92	0.55	0.17	0.46	0.18	0.00	90.23	0.49
6	I	E	E	32.98	18.33	14.95	33.33	116.24	-158.32	-105.19	122.20	21.35	77.74	0.90	20.06	1.06	0.27	0.41	0.35	0.00	76.97	0.89
7	Y	C	C	85.56	10.91	18.15	29.62	112.92	-171.82	-94.64	141.20	58.74	35.66	5.60	37.18	15.86	6.43	1.11	4.17	0.01	34.18	1.07
8	D	C	S	97.95	5.55	20.82	26.67	102.19	-56.65	-87.38	-8.46	75.31	18.69	6.00	14.65	40.01	22.00	0.79	4.53	0.02	16.71	1.29
9	T	C	C	64.90	9.40	20.16	29.66	117.29	46.79	-104.31	117.99	76.49	15.83	7.68	39.08	18.91	19.60	1.39	6.26	0.02	12.99	1.76
10	C	C	C	16.41	22.21	14.05	35.51	115.59	-151.24	-99.15	128.34	77.96	18.81	3.22	66.00	6.93	4.05	1.14	2.20	0.00	13.55	6.12
11	I	C	C	63.05	11.67	22.45	34.14	112.99	-156.66	-97.06	121.86	76.19	19.70	4.11	30.70	19.25	28.28	1.72	2.28	0.08	12.70	4.99
12	G	C	S	32.73	9.84	22.94	32.79	97.40	0.16	77.70	10.23	87.34	8.38	4.28	24.80	32.83	30.76	1.94	2.09	0.01	5.52	2.04
13	C	C	C	14.24	21.98	14.80	36.04	101.96	123.56	-84.92	24.06	82.70	2.55	14.75	67.90	9.85	4.15	13.73	1.93	0.00	1.05	1.39
14	T	H	H	69.51	8.30	21.42	30.23	93.83	119.34	-64.18	-38.50	26.32	0.55	73.13	11.42	9.97	6.97	69.80	1.34	0.04	0.17	0.29
15	Q	H	H	88.88	5.83	23.99	29.93	92.29	53.25	-66.43	-39.80	10.72	0.55	88.74	5.79	2.63	3.66	85.71	1.67	0.06	0.29	0.19
16	C	H	H	5.38	23.15	17.05	40.26	91.94	51.54	-65.10	-42.40	2.82	0.53	96.65	1.34	0.53	1.46	93.65	2.46	0.03	0.46	0.08
17	V	H	H	24.76	19.42	18.27	37.05	91.81	52.06	-64.01	-39.71	2.40	0.69	96.91	0.94	0.35	1.39	94.13	2.39	0.03	0.67	0.08
18	R	H	H	157.02	2.56	23.65	26.18	91.72	52.87	-66.67	-33.04	6.93	0.51	92.56	1.26	0.57	5.39	90.42	1.72	0.10	0.42	0.13
19	A	H	H	38.63	11.34	18.95	30.83	93.56	51.46	-79.97	-21.53	19.93	0.35	79.72	1.22	1.92	16.84	78.73	0.76	0.16	0.11	0.25
20	C	C	C	9.28	23.58	10.51	33.38	110.05	79.56	-99.91	110.35	98.34	0.67	0.99	66.04	30.84	1.32	0.93	0.15	0.00	0.20	0.53
21	P	C	T	91.09	4.01	20.40	25.28	93.47	-163.28	-66.22	-19.13	87.16	0.81	12.04	25.21	16.83	45.04	5.90	6.17	0.00	0.42	0.43
22	T	C	T	60.13	9.65	17.34	27.64	98.54	52.36	-94.61	0.35	82.73	1.16	16.11	7.17	24.60	51.25	7.67	8.01	0.03	0.65	0.62
23	D	C	C	83.03	9.58	20.65	30.45	95.87	-115.84	57.63	44.21	74.95	6.21	18.84	38.47	18.24	18.23	7.06	12.16	0.02	4.56	1.26
24	V	C	C	14.07	20.65	18.43	39.00	96.66	142.97	-82.65	-27.06	61.50	20.85	17.65	30.72	22.37	9.30	7.54	9.59	0.06	18.89	1.52
25	L	E	E	8.22	24.54	16.80	41.28	124.19	48.60	-118.59	133.90	24.00	59.35	16.65	15.28	6.73	5.18	8.35	7.45	0.17	55.09	1.76
26	E	E	E	86.66	8.18	25.49	34.10	125.78	-170.39	-118.68	140.65	19.75	69.32	10.93	14.87	3.61	2.54	5.49	4.38	0.02	68.12	0.97
27	M	E	E	58.70	17.98	16.87	34.14	115.51	-126.58	-90.87	130.13	25.09	69.49	5.43	19.50	4.67	2.09	3.60	2.22	0.02	65.22	2.68
28	I	C	E	39.24	13.18	15.64	30.26	119.75	-161.01	-110.04	133.48	53.18	45.63	1.19	43.43	7.97	1.11	0.57	0.62	0.00	44.55	1.75
29	P	C	C	78.95	5.05	18.76	24.49	111.60	-110.26	-67.57	140.87	71.56	24.86	3.58	56.77	8.32	4.95	0.99	2.39	0.00	25.36	1.22
30	W	C	C	93.14	15.03	9.53	23.88	109.07	-146.65	-92.45	105.00	71.26	14.95	13.79	38.04	15.01	19.53	3.88	9.50	0.05	9.96	4.04
31	D	C	T	119.49	1.75	14.68	16.79	101.08	45.17	-67.40	48.13	81.51	4.51	13.98	14.94	16.30	50.10	4.25	9.65	0.04	3.05	1.67
32	G	C	T	57.70	2.04	14.21	16.73	99.09	-49.49	83.92	0.89	82.87	2.77	14.36	15.50	20.62	47.18	4.57	9.26	0.03	1.77	1.07
33	C	C	C	40.95	13.45	8.89	22.45	118.55	121.49	-92.51	141.64	71.32	16.31	12.38	48.30	14.90	7.40	8.58	4.66	0.08	10.01	6.08
34	K	C	C	116.63	4.10	18.23	22.69	114.38	-139.57	-90.32	137.97	59.82	18.74	21.44	42.02	9.83	6.92	17.25	5.42	0.08	14.07	4.40
35	A	H	H	45.58	13.99	12.32	26.05	96.84	-118.67	-63.56	-32.62	36.35	15.89	47.75	19.77	7.94	9.95	31.32	15.50	0.31	13.18	2.02
36	K	H	H	130.23	3.84	17.68	22.32	94.40	62.43	-68.83	-28.65	28.84	20.40	50.76	15.55	6.04	8.39	34.98	14.91	0.23	18.27	1.63
37	Q	H	H	86.26	7.54	17.53	25.79	95.69	57.42	-75.06	-28.10	23.49	24.35	52.17	14.80	4.25	5.35	36.65	14.78	0.11	22.56	1.51
38	I	H	H	28.07	19.93	12.35	31.04	97.56	59.34	-74.46	-30.23	23.25	29.13	47.63	14.96	3.99	4.99	36.96	10.27	0.15	26.35	2.32
39	A	H	H	57.38	9.06	17.50	27.03	96.60	67.28	-70.21	-25.58	35.46	24.96	39.58	17.58	6.62	11.78	29.99	9.72	0.29	21.75	2.27
40	S	C	T	76.79	3.67	19.52	23.48	97.74	53.88	-89.63	-2.55	53.51	15.85	30.64	18.83	12.24	23.25	20.64	9.95	0.44	12.16	2.49
41	A	C	C	28.50	17.25	12.53	29.37	117.77	107.70	-82.62	140.96	94.85	4.08	1.07	52.91	41.47	0.94	0.81	0.30	0.00	2.82	0.75
42	P	C	C	56.65	10.01	16.97	27.98	112.60	-104.73	-66.87	149.80	88.34	5.20	6.46	75.72	7.35	4.90	3.78	2.72	0.00	3.53	2.00
43	R	C	C	117.12	9.27	17.60	27.27	111.55	-110.89	-82.12	128.60	83.41	8.23	8.35	71.67	6.37	4.62	4.35	3.94	0.00	4.07	4.99
44	T	H	G	49.17	16.36	13.36	28.72	100.31	-146.94	-78.92	-22.34	47.03	4.24	48.73	29.64	8.26	10.32	9.21	38.70	0.01	2.82	1.05
45	E	H	G	136.28	3.34	18.69	22.84	95.67	73.06	-72.73	-21.46	38.90	4.15	56.94	12.02	9.54	19.77	10.46	44.25	0.04	3.01	0.91
46	D	H	G	87.57	6.16	18.84	25.65	99.91	49.45	-93.95	12.57	38.86	5.11	56.03	14.89	9.03	17.53	8.68	44.98	0.04	3.77	1.08
47	C	C	C	16.74	21.91	12.07	33.00	110.60	122.91	-85.25	113.78	69.35	14.69	15.96	53.34	9.06	6.15	6.89	9.58	0.02	10.08	4.88
48	V	C	T	62.49	9.89	21.90	32.00	114.85	-165.94	-89.18	128.02	68.66	20.35	10.99	24.49	12.63	33.07	6.49	4.36	0.30	12.88	5.77
49	G	C	T	27.35	10.91	21.30	32.30	101.18	14.07	87.10	-0.23	80.36	10.23	9.41	18.95	23.01	39.76	4.75	4.06	0.10	6.86	2.50
50	C	C	C	16.76	20.84	13.83	33.96	100.66	131.39	-74.81	29.35	88.19	2.72	9.09	77.64	7.81	2.37	8.15	1.46	0.00	1.30	1.26
51	K	H	H	132.56	3.27	21.47	25.38	93.02	67.21	-62.07	-39.43	23.33	0.54	76.13	5.68	5.76	13.50	70.72	3.64	0.17	0.27	0.26
52	R	H	H	117.19	5.77	21.21	27.34	92.42	50.63	-67.08	-38.04	18.09	0.83	81.09	3.75	3.55	12.11	75.27	4.22	0.23	0.58	0.27
53	C	H	H	5.60	23.50	13.66	37.01	92.68	50.85	-67.35	-39.72	10.03	1.38	88.58	4.39	1.92	4.72	82.19	5.27	0.07	1.20	0.24
54	E	H	H	82.52	13.30	17.79	30.61	91.94	56.75	-63.65	-36.74	8.74	1.13	90.13	3.08	1.36	4.87	84.00	5.40	0.08	1.01	0.19
55	S	H	H	85.29	1.36	22.02	21.68	92.52	52.73	-71.64	-26.54	16.36	0.55	83.09	2.61	1.72	12.01	79.11	3.86	0.10	0.42	0.16
56	A	H	H	39.05	11.54	16.86	28.99	96.30	47.79	-83.99	-23.59	27.44	0.63	71.93	3.16	4.61	20.78	68.41	2.20	0.23	0.27	0.35
57	C	C	C	12.44	21.60	9.93	30.59	112.49	54.47	-113.13	106.18	98.40	0.93	0.66	66.90	30.42	1.05	0.50	0.15	0.00	0.31	0.66
58	P	C	T	92.60	3.50	18.42	22.65	93.88	-164.57	-67.18	-20.77	90.05	0.98	8.96	23.26	19.19	47.78	3.94	4.80	0.00	0.68	0.36
59	T	C	T	73.29	6.26	16.83	23.98	100.93	47.46	-96.97	-3.68	84.28	2.64	13.08	8.89	25.96	50.13	6.02	6.13	0.04	2.12	0.72
60	D	C	C	84.32	9.43	18.38	28.24	96.77	-118.45	54.92	45.88	79.33	6.42	14.25	47.26	17.76	14.11	5.97	8.62	0.01	4.81	1.45
61	F	C	C	39.39	17.11	16.99	33.97	98.61	144.52	-89.43	-18.42	66.66	18.05	15.29	40.81	17.37	9.01	8.13	6.96	0.04	15.89	1.80
62	L	E	E	24.70	21.30	15.84	36.34	120.29	62.37	-113.47	126.44	33.12	53.02	13.86	22.42	7.57	5.51	8.27	5.24	0.08	48.74	2.18
63	S	E	E	46.13	9.24	23.09	32.62	126.18	128.01	-121.26	140.28	25.81	65.40	8.79	19.98	3.64	2.08	5.57	2.77	0.01	65.03	0.92
64	V	E	E	37.30	19.06	15.08	33.55	122.38	-160.34	-118.01	130.85	19.31	73.70	6.98	15.40	2.08	1.14	5.36	1.55	0.00	73.86	0.60
65	R	E	E	116.08	6.99	19.19	27.31	120.59	-166.38	-115.32	130.11	15.28	78.93	5.80	12.31	1.43	0.90	4.55	1.25	0.00	79.13	0.43
66	V	E	E	51.51	12.69	14.00	27.68	119.03	-158.76	-110.05	128.30	16.70	78.23	5.07	13.32	1.87	1.14	3.57	1.36	0.00	78.26	0.48
67	Y	E	E	112.43	7.22	13.79	22.70	115.49	-156.31	-103.28	124.16	25.86	70.10	4.04	20.01	3.82	2.12	2.71	1.44	0.00	69.08	0.82
68	L	C	E	95.23	6.10	11.68	19.45	110.17	-172.94	-103.02	81.27	48.40	48.14	3.46	27.84	13.36	7.94	1.82	1.68	0.01	46.33	1.02
69	G	C	C	43.57	3.37	12.03	16.55	127.25	-66.72	128.37	-175.63	80.21	16.56	3.23	30.38	26.65	22.78	1.62	1.66	0.00	16.00	0.91
70	P	C	T	116.22	1.58	11.31	13.55	102.86	-34.22	-79.44	20.07	87.14	7.17	5.68	28.00	26.91	31.88	2.74	3.01	0.00	6.74	0.73
71	E	C	C	136.04	2.79	9.80	14.44	117.93	80.14	-99.61	136.91	65.68	26.98	7.34	33.24	17.01	15.89	3.78	3.32	0.01	25.32	1.41
72	T	C	E	87.56	4.78	9.52	16.36	120.46	-157.09	-107.55	136.43	52.66	40.77	6.56	40.26	7.30	4.14	3.91	2.39	0.00	40.57	1.41
73	T	E	E	89.17	4.76	10.25	17.12	121.04	-163.64	-113.82	137.14	42.04	50.41	7.55	32.26	5.91	3.38	5.06	2.28	0.01	49.58	1.52
74	R	E	E	147.91	4.24	11.18	17.62	121.78	-160.00	-111.63	139.09	39.52	50.12	10.36	29.14	6.12	4.15	6.78	3.10	0.01	49.43	1.27
75	S	E	E	72.64	5.39	10.53	17.93	123.16	-154.18	-111.03	142.95	43.27	43.61	13.11	32.37	6.11	4.61	7.98	4.26	0.01	43.30	1.35
76	M	C	E	114.25	5.26	10.27	17.44	119.44	-156.64	-110.68	137.34	47.31	36.10	16.59	33.49	7.56	6.33	9.99	5.72	0.03	35.27	1.61
77	A	C	C	74.90	4.47	9.77	16.03	115.79	-135.77	-88.97	135.02	51.28	32.77	15.95	33.71	9.93	8.42	8.69	6.30	0.06	31.14	1.73
78	L	C	C	114.00	4.16	8.63	14.59	112.15	-152.39	-93.18	121.77	55.55	28.37	16.08	35.79	10.43	10.34	8.45	6.78	0.06	26.18	1.97
79	S	C	C	81.41	2.73	9.60	14.05	115.73	-154.71	-105.12	131.19	66.60	21.72	11.69	52.55	3.96	9.95	6.56	4.23	0.01	20.51	2.23
80	Y	C	C	144.16	6.03	10.46	17.97	111.65	-153.54	-100.25	113.19	98.68	1.02	0.30	98.53	0.19	0.19	0.19	0.03	0.00	0.79	0.08