#	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	A	C	C	61.83	8.75	14.31	23.98	119.66	-163.46	-99.29	140.77	99.19	0.80	0.01	99.21	0.11	0.02	0.00	0.00	0.00	0.63	0.02
1	H	E	E	96.75	8.56	13.73	23.50	121.26	-164.37	-113.86	137.42	42.01	56.85	1.15	39.78	1.13	0.56	0.62	0.41	0.00	56.43	1.07
2	I	E	E	87.51	8.64	14.65	24.60	120.20	-153.68	-108.43	131.93	17.23	81.32	1.44	14.97	1.77	0.43	0.96	0.46	0.00	80.80	0.60
3	V	E	E	43.06	14.42	14.47	29.61	122.27	-165.99	-116.62	131.87	8.96	89.74	1.31	8.28	0.47	0.15	1.11	0.23	0.00	89.44	0.31
4	K	E	E	106.07	7.75	20.16	28.84	118.89	-151.10	-104.15	128.90	12.56	85.25	2.19	11.13	1.00	0.34	1.71	0.44	0.00	84.97	0.41
5	I	E	E	32.42	17.32	14.69	32.28	116.31	-161.06	-107.17	123.91	33.11	61.45	5.44	29.61	2.44	0.98	2.98	1.90	0.00	61.04	1.05
6	Y	C	C	87.00	11.76	16.82	28.96	113.69	-165.63	-99.12	140.10	46.76	27.77	25.46	29.07	11.21	9.12	4.76	17.85	0.03	26.66	1.31
7	D	C	S	102.83	4.76	20.06	25.23	100.56	-2.53	-77.15	-7.62	56.83	16.61	26.56	14.97	23.77	21.87	4.37	18.94	0.13	14.15	1.79
8	T	C	C	68.79	9.05	19.39	28.63	107.31	54.64	-107.83	18.06	55.02	17.17	27.81	26.36	14.29	17.97	5.12	20.09	0.12	13.85	2.19
9	C	C	C	18.37	21.72	12.87	33.79	117.39	121.13	-91.14	133.66	74.12	20.94	4.94	62.19	7.44	3.37	2.69	2.43	0.00	14.52	7.36
10	I	C	C	70.08	9.87	23.05	33.03	113.10	-155.51	-96.91	124.05	73.74	17.55	8.72	37.02	24.60	13.51	6.45	2.42	0.14	9.78	6.07
11	G	C	C	21.73	11.03	23.21	34.39	115.50	-24.75	78.47	155.65	79.32	7.00	13.68	37.14	28.27	14.56	11.72	2.16	0.05	3.42	2.69
12	C	H	H	11.70	23.76	16.56	39.52	94.00	-105.85	-62.73	-37.66	18.44	0.47	81.09	9.49	4.73	6.27	77.37	1.72	0.03	0.20	0.19
13	T	H	H	64.51	9.53	23.13	32.68	91.93	56.24	-63.49	-40.69	8.03	0.25	91.72	3.72	1.78	3.50	89.44	1.33	0.02	0.12	0.09
14	Q	H	H	80.21	6.19	24.54	30.92	91.82	50.00	-65.71	-40.24	2.70	0.39	96.91	1.10	0.69	1.44	94.84	1.54	0.03	0.26	0.09
15	C	H	H	4.20	23.87	17.46	41.47	91.90	51.43	-64.29	-42.85	1.33	0.33	98.34	0.44	0.25	0.80	96.88	1.29	0.02	0.28	0.05
16	V	H	H	25.68	19.33	19.01	37.59	91.68	51.14	-63.76	-39.70	1.86	0.37	97.77	0.51	0.21	1.31	96.14	1.41	0.03	0.34	0.06
17	R	H	H	158.33	2.44	23.69	26.09	91.57	52.69	-66.59	-33.44	6.58	0.19	93.22	0.74	0.36	5.77	91.88	0.98	0.07	0.12	0.08
18	A	H	H	39.68	11.27	18.85	30.67	93.91	50.68	-80.53	-18.53	19.88	0.19	79.93	0.85	1.44	17.52	79.34	0.57	0.09	0.06	0.14
19	C	C	C	8.97	23.99	10.29	33.51	110.82	84.95	-94.05	116.38	97.94	0.91	1.16	66.70	29.85	1.20	1.15	0.16	0.00	0.28	0.66
20	P	C	T	92.64	3.63	20.73	25.07	93.33	-157.38	-67.87	-19.87	88.82	1.34	9.83	28.81	22.90	37.15	4.28	5.49	0.00	0.65	0.72
21	L	C	T	69.16	10.48	17.06	28.14	97.12	53.94	-92.87	-1.62	86.15	1.42	12.42	6.83	33.76	46.15	5.10	6.64	0.02	0.82	0.68
22	D	C	C	84.08	9.08	21.19	30.59	95.81	-117.44	57.39	48.21	81.04	5.66	13.30	45.69	18.49	16.87	3.36	10.19	0.01	4.31	1.08
23	V	C	C	12.50	20.94	18.24	39.27	97.73	150.08	-85.46	-25.28	69.27	19.79	10.94	34.64	28.68	6.77	3.72	6.74	0.03	18.01	1.40
24	L	E	E	7.12	24.69	16.76	41.65	125.84	43.17	-124.13	136.31	25.31	65.26	9.42	17.68	6.97	3.80	3.83	4.78	0.04	60.79	2.11
25	E	E	E	84.77	7.91	25.89	34.36	126.58	-171.55	-122.28	140.20	20.95	75.06	3.99	17.31	2.97	1.41	1.76	1.74	0.00	73.78	1.03
26	M	E	E	54.21	18.67	16.44	34.40	115.67	-129.39	-90.95	129.88	26.71	71.72	1.57	23.05	3.34	0.84	0.89	0.75	0.00	68.02	3.12
27	V	C	C	38.42	11.60	16.45	29.72	122.33	-165.38	-115.28	135.69	56.84	42.76	0.39	49.10	6.32	0.54	0.15	0.24	0.00	42.07	1.57
28	P	C	C	79.31	5.33	17.93	24.13	112.48	-110.53	-67.30	142.30	74.82	23.32	1.86	60.90	8.79	3.66	0.43	1.42	0.00	23.44	1.35
29	W	C	C	91.74	14.60	9.06	23.10	112.45	-147.27	-101.41	116.93	73.24	16.88	9.88	42.39	15.18	16.32	2.33	7.61	0.04	9.97	6.17
30	D	C	T	121.78	1.57	13.90	15.82	99.80	7.12	-22.07	50.77	87.01	3.94	9.05	13.03	16.51	57.08	1.73	7.53	0.01	2.68	1.42
31	G	C	T	63.17	1.09	13.38	14.10	97.90	-55.50	82.21	2.05	89.19	1.88	8.93	11.85	20.53	56.92	1.70	7.07	0.01	1.21	0.71
32	C	C	C	46.04	11.12	8.07	19.90	121.42	115.42	-96.14	147.72	73.85	19.28	6.87	46.75	20.51	6.28	3.70	3.43	0.05	10.02	9.27
33	K	C	C	120.25	2.81	17.45	20.14	114.97	-115.87	-82.60	145.08	71.72	16.66	11.62	54.99	9.91	5.54	8.74	3.81	0.02	11.32	5.65
34	A	H	H	50.86	13.03	10.99	24.06	94.17	-116.00	-59.87	-35.08	35.97	5.92	58.12	13.10	7.45	15.60	31.53	26.42	0.39	4.12	1.39
35	S	H	H	75.99	2.88	16.69	20.25	92.48	60.03	-67.90	-27.79	31.66	7.21	61.13	10.61	6.02	14.69	34.52	27.02	0.38	5.52	1.23
36	Q	H	H	91.77	6.14	16.94	23.99	94.49	57.08	-76.68	-25.09	26.60	10.55	62.85	13.53	5.38	8.40	36.68	25.92	0.19	8.50	1.41
37	M	H	H	33.02	19.13	11.82	29.86	96.85	62.36	-73.82	-28.86	28.31	19.55	52.13	16.77	5.75	7.29	36.18	15.12	0.32	15.53	3.03
38	A	H	H	58.00	8.87	17.19	26.62	96.71	67.45	-71.29	-24.15	40.14	18.87	40.99	17.25	7.88	15.71	27.90	12.81	0.52	15.06	2.88
39	S	C	T	75.98	3.90	19.60	23.82	99.47	52.45	-92.29	2.04	55.75	12.61	31.65	18.66	12.46	25.39	18.76	12.54	0.57	8.69	2.94
40	A	C	C	30.42	16.90	13.49	30.08	117.99	107.57	-82.90	140.91	95.73	3.52	0.75	53.27	42.45	0.69	0.53	0.23	0.00	2.04	0.79
41	P	C	C	46.85	12.35	16.51	29.65	113.16	-105.61	-66.63	149.95	89.44	7.00	3.57	81.59	5.20	2.31	2.01	1.48	0.00	3.92	3.49
42	R	C	C	111.50	8.90	19.05	28.32	114.05	-115.94	-84.90	134.57	84.25	10.54	5.22	75.07	5.54	2.64	2.73	2.36	0.00	4.30	7.36
43	T	H	G	48.00	17.37	13.44	29.65	96.76	-135.84	-70.51	-26.21	42.11	3.59	54.29	24.18	8.02	11.25	7.34	45.94	0.01	2.39	0.88
44	E	H	G	136.00	3.28	19.19	23.32	93.14	68.87	-70.58	-21.09	35.64	3.38	60.97	9.41	8.45	20.17	7.76	50.94	0.02	2.50	0.74
45	D	H	G	85.84	6.35	19.10	26.13	98.50	48.89	-94.23	7.38	35.46	4.12	60.41	12.25	8.40	17.34	6.37	51.67	0.04	3.01	0.92
46	C	C	C	16.39	22.32	11.99	33.36	113.35	112.60	-84.54	126.52	71.19	17.19	11.62	55.12	9.73	5.23	5.31	6.92	0.03	11.52	6.15
47	V	C	T	61.94	9.91	22.44	32.58	111.77	-165.59	-100.59	124.65	66.94	24.86	8.20	25.27	14.14	29.57	4.60	3.60	0.29	16.09	6.44
48	G	C	T	23.94	11.96	21.31	33.20	106.52	12.62	93.38	1.25	79.50	13.87	6.64	21.55	24.23	35.38	2.95	3.27	0.07	9.40	3.16
49	C	C	C	18.07	20.39	14.21	33.81	105.81	149.20	-73.47	101.40	92.29	3.07	4.65	85.03	5.73	1.56	3.76	0.94	0.00	1.50	1.47
50	K	H	H	131.63	3.37	21.48	25.47	93.26	84.29	-62.89	-39.84	27.68	0.52	71.80	4.29	6.08	18.41	65.76	4.67	0.25	0.27	0.29
51	R	H	H	117.34	5.95	20.89	27.30	92.55	50.69	-66.90	-37.70	23.03	0.58	76.38	2.75	3.85	17.20	70.18	5.09	0.29	0.39	0.25
52	C	H	H	6.57	23.20	13.57	36.51	93.21	49.91	-70.70	-36.57	12.48	1.59	85.93	4.49	2.34	6.56	77.63	7.14	0.12	1.43	0.29
53	E	H	H	81.19	13.33	17.29	30.25	91.91	59.52	-63.32	-37.77	10.02	1.73	88.25	3.32	1.57	5.63	79.69	7.79	0.11	1.64	0.24
54	T	H	H	102.66	1.42	21.89	21.65	93.05	51.76	-72.61	-27.55	17.06	1.20	81.74	2.96	2.04	12.16	75.55	5.80	0.18	1.06	0.26
55	A	H	H	38.93	11.36	16.75	28.74	95.78	49.35	-82.33	-25.55	27.06	1.01	71.93	3.66	5.09	19.75	67.01	3.14	0.33	0.54	0.49
56	C	C	C	13.38	21.12	9.83	30.04	113.43	53.34	-113.15	109.01	97.88	1.22	0.90	66.38	30.29	1.14	0.74	0.20	0.00	0.48	0.77
57	P	C	T	93.61	3.51	17.87	22.20	93.89	-163.63	-66.62	-20.66	88.00	1.12	10.88	20.21	20.43	47.23	6.20	4.75	0.00	0.80	0.37
58	T	C	T	74.96	5.91	15.94	22.82	99.59	50.02	-96.97	-2.74	81.85	2.80	15.35	8.46	24.90	48.88	8.66	5.99	0.03	2.42	0.65
59	D	C	C	91.97	7.65	17.54	25.97	97.54	-119.14	37.59	43.81	76.49	7.28	16.23	44.28	17.25	14.83	8.38	8.15	0.01	5.71	1.38
60	F	C	C	55.65	15.25	15.73	30.89	98.70	146.21	-89.69	-17.96	62.31	19.43	18.26	40.15	14.71	7.73	11.80	6.27	0.03	17.49	1.81
61	L	E	E	36.55	19.52	14.12	32.78	121.43	62.16	-113.82	130.33	31.77	50.90	17.32	22.44	6.42	4.59	11.80	5.01	0.06	47.76	1.93
62	S	E	E	55.23	7.14	21.06	28.99	125.35	-171.43	-121.30	141.64	24.15	62.62	13.24	18.97	3.15	2.09	9.30	3.08	0.01	62.58	0.82
63	V	E	E	53.76	16.74	13.55	29.84	121.86	-157.73	-117.05	130.78	21.27	66.99	11.74	17.41	1.93	1.16	9.24	1.73	0.00	67.94	0.59
64	R	E	E	129.74	5.46	17.03	24.01	120.59	-166.85	-113.54	130.88	19.69	68.81	11.50	15.95	1.74	1.18	9.17	1.66	0.00	69.78	0.51
65	V	E	E	67.59	10.68	12.59	24.39	119.27	-157.48	-108.89	129.17	23.44	64.59	11.96	18.82	2.38	1.59	9.34	1.95	0.00	65.20	0.71
66	Y	E	E	123.75	6.20	12.67	20.62	117.25	-161.60	-105.85	127.49	35.59	52.55	11.86	26.65	5.29	3.52	9.17	2.42	0.01	51.73	1.21
67	L	C	E	105.84	5.23	10.65	17.67	113.48	-160.41	-101.82	120.03	56.72	31.88	11.39	27.80	13.46	16.42	8.26	2.91	0.02	29.67	1.45
68	G	C	T	54.02	2.51	11.73	15.27	113.68	-52.78	90.88	-165.16	80.77	10.90	8.34	23.98	24.77	32.08	5.67	2.78	0.01	9.70	1.01
69	S	C	C	89.55	2.05	10.91	14.04	109.84	-39.20	-94.72	99.08	82.69	8.57	8.74	33.49	26.67	22.88	5.07	3.71	0.01	6.94	1.24
70	E	C	C	133.83	3.63	9.72	15.27	114.72	-142.29	-95.43	134.88	74.21	14.65	11.14	45.47	18.31	10.48	6.52	4.64	0.02	12.14	2.43
71	S	C	C	76.16	4.06	9.80	15.78	119.77	-155.99	-103.32	141.89	70.41	17.87	11.72	50.75	12.49	7.04	6.94	4.81	0.02	15.31	2.65
72	T	C	C	94.62	4.18	9.56	15.75	118.65	-154.83	-109.62	135.11	63.73	21.48	14.79	46.63	10.65	6.40	8.81	5.98	0.04	18.42	3.06
73	R	C	C	158.73	3.29	10.09	15.33	117.70	-159.25	-102.95	136.76	60.52	21.86	17.62	41.24	11.18	8.44	9.74	7.61	0.06	19.27	2.47
74	S	C	C	79.45	3.82	9.35	15.07	116.75	-140.90	-98.53	139.16	62.54	20.34	17.12	41.77	10.20	10.67	8.46	8.41	0.03	18.01	2.45
75	M	C	C	133.70	3.41	8.90	13.98	110.73	-152.56	-97.84	110.59	67.58	17.20	15.22	31.36	14.23	23.28	7.32	7.38	0.06	13.98	2.38
76	G	C	C	56.28	2.30	9.90	13.52	108.63	-74.10	86.48	35.55	75.12	15.62	9.26	32.28	18.00	26.25	3.52	5.20	0.03	12.99	1.74
77	L	C	C	116.96	3.69	7.19	12.74	115.81	126.79	-95.43	134.68	72.20	19.09	8.72	49.62	12.15	10.64	3.54	5.15	0.02	16.17	2.72
78	S	C	C	85.69	2.23	8.21	12.23	117.27	-156.94	-102.77	137.30	76.43	17.33	6.24	63.10	3.86	9.02	3.32	2.62	0.00	14.63	3.45
79	Y	C	C	156.72	4.57	10.15	16.42	113.55	-145.55	-103.20	128.37	99.26	0.65	0.08	99.15	0.19	0.11	0.05	0.01	0.00	0.44	0.06