#	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	108.82	6.47	14.38	22.15	115.40	-155.91	-94.69	129.76	99.37	0.62	0.01	99.44	0.07	0.02	0.00	0.00	0.00	0.43	0.03
1	A	C	C	64.82	7.70	12.15	21.28	119.27	-153.89	-99.12	139.27	79.32	19.81	0.87	76.05	1.23	1.45	0.21	0.43	0.00	19.69	0.95
2	H	C	E	88.06	10.49	12.48	23.85	121.15	-163.71	-113.45	139.23	53.99	44.89	1.11	38.64	12.00	2.78	0.19	0.86	0.00	44.76	0.77
3	T	E	E	71.81	7.47	17.59	26.22	123.01	-154.43	-114.28	138.09	29.16	69.86	0.98	24.48	3.73	0.73	0.25	0.55	0.00	69.69	0.57
4	V	E	E	31.97	18.86	13.61	32.26	123.15	-164.20	-118.10	132.94	11.78	87.65	0.58	10.76	0.79	0.18	0.31	0.19	0.00	87.45	0.32
5	K	E	E	107.38	6.59	22.55	29.94	118.92	-155.90	-110.11	130.42	7.75	91.73	0.52	7.06	0.48	0.15	0.29	0.14	0.00	91.57	0.30
6	I	E	E	29.81	19.66	14.44	33.92	118.63	-159.60	-105.31	126.75	18.21	81.10	0.69	17.02	0.96	0.24	0.30	0.27	0.00	80.45	0.76
7	Y	C	C	83.99	10.50	18.47	29.67	117.13	-164.85	-96.95	144.61	56.99	40.15	2.87	41.75	11.57	3.64	0.63	2.07	0.00	39.21	1.13
8	D	C	S	98.09	5.63	20.52	26.60	101.67	-64.36	-79.93	-11.12	78.02	18.32	3.66	12.11	41.99	24.81	0.43	2.84	0.01	16.73	1.08
9	T	C	C	68.57	8.75	20.25	29.17	114.21	49.19	-108.18	118.56	79.57	15.45	4.99	32.12	22.84	26.02	0.82	4.08	0.01	12.60	1.50
10	C	C	C	16.61	22.19	13.70	35.17	115.24	118.38	-98.45	128.20	78.90	18.40	2.70	67.98	6.62	3.44	0.90	1.92	0.00	13.45	5.70
11	I	C	C	66.30	10.89	22.58	33.61	113.50	-153.88	-97.63	127.50	77.27	19.15	3.58	30.70	19.45	29.08	1.46	2.01	0.07	11.95	5.28
12	G	C	T	29.31	10.26	22.87	33.26	98.14	5.49	75.89	14.38	89.51	6.49	4.00	28.63	30.84	30.94	2.01	1.78	0.01	4.05	1.73
13	C	C	C	14.92	22.27	15.42	36.75	98.39	133.74	-73.03	-17.98	68.23	1.97	29.81	49.98	12.86	4.80	28.72	1.88	0.00	0.71	1.04
14	T	H	H	68.35	8.65	21.93	30.84	93.14	67.02	-64.61	-39.17	21.34	0.39	78.27	8.86	7.35	6.78	75.31	1.33	0.04	0.13	0.20
15	Q	H	H	86.48	6.09	24.06	30.24	92.22	50.96	-66.39	-40.00	8.10	0.57	91.34	3.84	2.09	3.50	88.19	1.80	0.06	0.32	0.20
16	C	H	H	5.13	23.31	17.18	40.57	91.83	50.73	-64.84	-42.78	2.71	0.56	96.74	1.16	0.52	1.50	93.93	2.31	0.04	0.45	0.09
17	V	H	H	24.12	19.74	18.52	37.53	91.84	51.57	-63.81	-39.79	2.52	0.66	96.82	0.91	0.34	1.56	94.09	2.35	0.04	0.61	0.09
18	R	H	H	155.99	2.67	23.82	26.55	91.68	52.97	-66.51	-33.31	7.59	0.45	91.96	1.25	0.54	6.11	89.80	1.71	0.10	0.34	0.14
19	A	H	H	38.87	11.22	19.25	31.03	93.66	51.31	-80.57	-20.04	21.16	0.34	78.50	1.19	1.88	18.18	77.46	0.78	0.16	0.10	0.24
20	C	C	C	8.24	24.33	10.24	33.85	111.32	90.76	-89.53	119.78	98.29	0.83	0.88	65.72	31.21	1.25	0.82	0.14	0.00	0.26	0.62
21	P	C	T	91.29	3.93	20.86	25.53	93.33	-162.35	-67.13	-19.82	91.59	0.86	7.55	28.30	21.12	41.95	3.60	4.15	0.00	0.45	0.43
22	T	C	T	58.10	9.88	17.44	27.97	100.37	50.88	-96.89	-0.92	88.72	1.09	10.20	6.13	31.15	51.61	4.55	5.39	0.01	0.64	0.52
23	D	C	C	85.33	9.10	21.08	30.43	95.68	-113.44	55.19	43.88	83.14	5.67	11.19	38.66	24.25	20.52	3.60	7.64	0.01	4.29	1.02
24	V	C	C	12.65	20.70	18.27	39.13	97.47	139.67	-85.38	-23.39	70.86	21.18	7.95	36.39	28.80	5.96	3.15	4.54	0.02	20.01	1.13
25	L	E	E	7.07	24.76	16.56	41.57	127.69	43.71	-126.17	136.82	22.33	72.14	5.53	16.33	5.58	2.37	2.63	2.41	0.01	69.42	1.26
26	E	E	E	84.86	7.79	26.14	34.61	127.24	-171.30	-122.60	141.02	11.18	86.13	2.69	9.09	1.50	0.81	1.29	1.00	0.00	85.83	0.47
27	M	E	E	54.03	18.87	16.72	34.87	115.19	-127.16	-90.47	130.22	15.86	82.64	1.50	13.80	1.91	0.59	0.86	0.62	0.00	80.82	1.40
28	V	C	E	35.56	12.47	16.34	30.37	121.25	-161.76	-111.93	134.87	51.21	48.19	0.59	44.54	4.95	0.60	0.20	0.34	0.00	48.37	1.00
29	P	C	C	78.07	5.32	18.79	24.80	112.30	-109.58	-67.26	141.58	70.35	25.83	3.83	53.27	10.19	5.59	0.88	2.80	0.00	26.10	1.17
30	W	C	C	93.71	14.86	9.66	23.97	109.82	-138.78	-88.19	118.95	71.52	14.42	14.05	38.76	15.70	18.21	3.33	10.58	0.04	9.60	3.78
31	D	C	T	115.04	1.95	14.75	17.09	103.87	52.45	-89.04	36.71	79.68	6.08	14.24	20.52	19.37	40.51	3.19	10.42	0.04	3.88	2.07
32	G	C	T	55.41	2.56	13.69	17.10	100.58	-64.95	83.64	0.22	82.63	3.20	14.17	18.77	24.25	40.45	3.42	9.95	0.02	1.85	1.28
33	C	C	C	50.89	11.06	9.10	20.84	116.88	119.65	-91.90	141.93	74.93	12.17	12.91	44.77	18.79	11.49	6.70	6.35	0.05	6.76	5.08
34	R	C	C	135.89	3.84	16.34	20.85	112.62	-131.31	-87.23	139.09	63.31	14.62	22.08	37.23	14.28	11.99	14.09	8.27	0.15	9.25	4.75
35	A	C	H	54.06	11.56	12.10	23.93	95.96	-114.48	-63.38	-32.53	46.80	7.59	45.61	15.33	10.81	21.07	24.00	21.06	0.59	5.00	2.14
36	N	H	H	106.18	3.89	16.61	21.40	95.52	56.83	-70.77	-18.00	41.83	10.82	47.35	15.51	9.09	17.87	26.06	20.86	0.51	8.15	1.94
37	Q	H	H	89.42	7.32	16.92	24.99	98.20	62.35	-81.75	-21.23	34.51	20.73	44.76	19.66	7.29	8.91	26.27	18.21	0.27	16.82	2.57
38	I	H	E	35.71	18.54	12.53	29.98	100.15	65.61	-80.73	-22.28	29.21	35.29	35.51	18.36	5.74	6.23	25.90	10.36	0.32	28.20	4.90
39	A	C	E	54.94	9.67	17.50	27.46	99.08	63.80	-74.84	-23.30	38.31	31.26	30.43	20.11	8.23	11.46	20.71	10.00	0.33	26.29	2.87
40	S	C	C	71.90	5.08	19.81	25.43	101.78	50.38	-92.82	8.46	51.78	23.50	24.72	23.22	12.82	17.91	13.67	10.69	0.51	17.83	3.37
41	A	C	C	32.74	16.42	14.02	30.14	118.47	109.06	-84.47	140.37	91.88	7.31	0.81	62.33	29.59	0.68	0.57	0.29	0.00	5.47	1.07
42	P	C	C	47.54	12.56	16.30	29.57	113.24	-105.71	-66.71	150.02	86.07	9.85	4.08	77.03	5.83	2.65	2.35	1.75	0.00	6.65	3.75
43	R	C	C	114.94	8.67	18.61	27.66	112.46	-112.63	-84.32	131.37	84.44	10.29	5.27	75.67	5.41	2.65	2.79	2.41	0.00	4.75	6.33
44	T	H	G	51.82	16.11	13.38	28.54	98.43	-146.20	-71.73	-26.14	39.64	3.37	56.99	23.16	7.36	10.74	8.65	47.02	0.01	2.28	0.78
45	E	H	G	137.62	3.09	18.70	22.49	94.86	69.95	-70.85	-23.58	33.16	2.89	63.95	8.52	7.50	19.05	10.08	52.09	0.02	2.15	0.59
46	D	H	G	86.54	6.15	18.46	25.31	99.49	49.18	-93.13	11.63	32.34	3.38	64.27	11.02	7.29	16.11	8.22	54.10	0.04	2.48	0.75
47	C	C	C	17.90	21.71	11.72	32.30	109.53	112.28	-84.41	112.71	70.16	14.42	15.42	53.46	9.70	6.15	6.91	9.13	0.03	9.25	5.38
48	V	C	T	66.98	9.26	21.37	30.92	114.00	-166.25	-90.09	125.94	69.76	20.17	10.07	24.17	13.01	34.03	5.94	3.98	0.33	12.51	6.03
49	G	C	T	29.71	10.01	20.76	31.00	102.36	12.52	87.67	-0.59	81.06	10.75	8.19	18.84	24.33	39.28	3.90	3.72	0.10	7.15	2.69
50	C	C	C	19.43	19.79	13.37	32.48	105.61	131.58	-75.01	100.37	91.40	2.79	5.81	80.43	8.68	2.02	5.07	1.09	0.00	1.27	1.44
51	K	H	H	134.06	3.12	20.82	24.57	93.48	67.53	-62.69	-40.19	22.98	0.52	76.50	4.65	5.38	14.48	70.63	4.08	0.24	0.26	0.27
52	R	H	H	120.86	5.30	20.49	26.25	92.56	50.52	-67.05	-38.15	19.64	0.76	79.60	3.09	3.50	14.21	73.11	4.94	0.35	0.51	0.29
53	C	H	H	8.51	22.08	13.36	35.17	93.18	50.03	-69.21	-38.35	12.22	1.40	86.38	4.52	2.36	6.46	78.92	6.13	0.13	1.18	0.30
54	E	H	H	85.74	12.39	17.20	29.39	92.13	57.52	-63.88	-36.73	11.26	1.34	87.40	3.89	1.84	6.33	80.54	5.84	0.13	1.15	0.28
55	S	H	H	85.08	1.35	21.08	20.80	92.92	52.53	-73.30	-25.68	20.59	0.74	78.67	3.34	2.40	14.95	74.09	4.30	0.15	0.54	0.23
56	A	H	H	42.42	10.56	16.32	27.59	96.53	51.31	-84.08	-24.35	30.57	0.78	68.65	4.21	6.15	21.46	64.75	2.41	0.24	0.34	0.43
57	C	C	C	17.90	19.36	9.96	28.66	113.07	52.95	-116.47	105.05	98.25	0.89	0.85	62.90	34.37	0.95	0.68	0.19	0.00	0.30	0.61
58	P	C	T	89.75	4.07	16.85	21.99	95.42	-163.00	-66.68	-19.51	82.24	1.38	16.38	31.30	13.13	37.95	7.36	8.84	0.00	0.93	0.49
59	T	C	T	82.92	4.81	15.72	21.50	104.57	51.25	-96.99	-2.90	72.98	3.42	23.60	12.00	18.63	43.10	11.31	11.32	0.06	2.62	0.96
60	D	C	C	90.94	7.48	16.39	24.71	100.15	-110.71	-58.00	57.54	70.21	6.55	23.24	40.96	13.60	15.80	10.94	12.34	0.01	5.06	1.29
61	F	C	C	71.66	13.63	14.24	27.95	102.14	145.40	-88.04	-11.55	59.92	17.63	22.45	40.24	12.44	7.36	14.10	8.12	0.03	15.66	2.04
62	L	E	E	58.01	15.09	13.81	28.67	118.48	74.73	-107.68	127.97	36.42	43.47	20.11	25.06	6.79	5.33	13.83	6.18	0.08	40.71	2.02
63	S	E	E	59.76	6.75	18.16	26.03	123.74	-169.31	-116.71	138.05	28.97	55.39	15.63	22.34	3.71	2.71	10.98	4.23	0.01	55.00	1.02
64	I	E	E	70.93	13.80	12.62	26.62	121.52	-159.90	-115.77	130.29	26.30	60.98	12.72	21.46	2.29	1.42	10.14	2.19	0.00	61.74	0.75
65	R	E	E	137.24	4.95	15.42	22.05	120.23	-164.80	-112.57	131.31	23.40	64.56	12.04	18.88	1.96	1.36	9.71	1.99	0.00	65.51	0.59
66	V	E	E	73.10	9.26	11.93	22.58	119.77	-160.55	-111.60	129.60	25.62	62.05	12.33	20.18	2.67	1.83	9.54	2.35	0.00	62.71	0.72
67	Y	E	E	132.80	5.38	11.77	19.00	116.88	-158.59	-104.77	127.08	35.56	52.75	11.70	26.33	5.04	3.57	9.15	2.58	0.01	52.19	1.13
68	L	C	C	107.75	4.79	10.07	16.65	113.60	-164.16	-102.72	119.70	56.24	33.35	10.41	31.92	11.55	12.87	7.44	2.89	0.03	31.90	1.41
69	G	C	C	52.97	2.39	11.30	14.76	116.29	-74.61	87.94	-165.08	80.80	11.53	7.66	31.11	22.08	27.49	5.04	2.72	0.01	10.52	1.03
70	A	C	C	88.24	2.19	10.37	13.72	111.69	-46.00	-91.09	125.46	79.20	10.20	10.60	34.56	24.06	20.92	6.13	4.26	0.01	8.70	1.34
71	E	C	C	134.77	3.44	9.52	14.84	117.63	-142.66	-98.44	135.31	67.49	19.44	13.06	42.08	15.94	9.27	8.22	4.75	0.03	17.44	2.28
72	T	C	C	93.25	3.91	9.62	15.52	120.42	-157.87	-110.40	137.78	61.05	24.97	13.98	46.94	8.42	5.00	9.76	4.28	0.02	23.07	2.49
73	T	C	C	92.04	4.57	9.40	15.93	119.85	-154.52	-108.39	136.28	55.16	27.12	17.71	41.21	7.99	5.49	12.35	5.42	0.04	24.97	2.53
74	R	C	C	157.66	3.30	10.24	15.47	117.83	-157.99	-104.45	136.62	53.59	24.81	21.60	34.94	10.07	8.64	14.19	7.18	0.08	22.73	2.17
75	S	C	C	79.71	3.90	9.45	15.25	117.04	-143.58	-99.35	136.14	58.39	20.83	20.78	37.88	10.01	10.63	12.40	8.05	0.06	18.76	2.21
76	M	C	C	129.80	3.69	9.23	14.59	111.79	-159.16	-98.76	110.49	64.82	17.47	17.70	32.31	13.74	19.53	10.28	7.01	0.08	14.72	2.33
77	G	C	C	53.57	2.90	9.89	14.29	112.74	-104.80	79.93	159.75	72.19	17.18	10.63	33.53	16.46	23.39	4.87	5.22	0.04	14.53	1.95
78	L	C	C	122.16	3.23	7.99	12.93	110.18	-118.54	-92.40	112.52	69.91	20.24	9.86	43.51	12.85	14.40	4.49	5.14	0.03	16.62	2.96
79	G	C	C	55.52	2.40	9.58	13.47	112.65	-83.41	-45.99	147.77	78.29	15.87	5.84	61.00	4.63	12.60	2.79	2.65	0.00	13.57	2.77
80	Y	C	C	152.15	5.00	10.33	16.86	111.57	-111.00	-91.96	123.41	99.27	0.65	0.08	99.13	0.20	0.12	0.05	0.01	0.00	0.43	0.07