#	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	99.91	7.35	12.34	20.81	117.94	-168.53	-105.87	133.24	96.28	3.32	0.40	96.53	0.20	0.20	0.29	0.04	0.00	2.52	0.24
1	W	C	C	163.85	4.48	10.43	16.37	111.91	-155.99	-94.79	120.45	46.83	33.47	19.71	38.27	2.44	4.96	16.35	4.39	0.02	29.28	4.28
2	F	C	E	141.20	3.53	9.00	14.19	110.84	-155.61	-91.33	118.58	43.37	35.45	21.18	27.15	7.53	9.05	15.64	6.28	0.14	31.72	2.50
3	L	C	C	113.68	3.73	9.19	14.49	107.25	-154.94	-90.14	69.34	47.35	28.93	23.72	25.84	9.93	12.37	17.06	7.06	0.20	25.05	2.48
4	Y	C	C	158.79	3.28	10.04	14.83	109.57	77.83	-94.91	97.12	49.84	23.15	27.01	22.18	11.44	17.18	19.85	7.36	0.40	18.95	2.64
5	G	C	C	44.52	4.76	11.09	17.33	111.01	26.32	-114.65	153.17	55.80	17.97	26.23	25.55	12.83	17.66	20.36	6.29	0.21	15.25	1.86
6	C	C	C	80.49	4.79	10.49	16.92	113.87	49.77	-95.65	136.09	48.62	20.87	30.52	28.46	10.21	9.98	25.39	5.66	0.13	18.17	1.99
7	C	C	H	75.25	5.54	10.79	17.97	113.94	-146.15	-92.34	127.57	37.96	27.59	34.46	22.87	7.50	7.70	29.59	5.11	0.14	25.26	1.83
8	L	H	H	102.06	5.19	11.06	17.80	112.83	-155.99	-95.41	125.18	27.56	32.95	39.49	16.27	5.41	5.67	34.64	4.89	0.12	31.63	1.36
9	R	H	E	143.40	4.15	11.69	17.34	112.97	-156.22	-95.03	124.09	22.91	36.95	40.15	13.38	3.96	4.57	36.04	4.28	0.07	36.71	0.99
10	F	E	E	125.77	5.13	11.48	18.12	113.20	-153.17	-95.17	126.42	19.24	41.39	39.37	10.88	3.26	4.01	35.69	3.96	0.06	41.26	0.88
11	V	E	E	83.90	6.25	10.79	18.60	114.57	-160.60	-99.38	131.99	17.66	46.38	35.96	9.95	2.79	3.43	33.70	3.04	0.04	46.31	0.74
12	L	E	E	104.29	4.50	11.68	17.70	112.87	-159.94	-95.21	128.77	14.27	53.63	32.10	7.90	2.34	2.78	31.08	2.44	0.02	52.81	0.63
13	F	E	E	123.77	5.39	11.27	18.15	116.13	-161.51	-103.81	129.22	11.33	59.64	29.03	6.61	1.68	2.00	28.73	2.02	0.02	58.41	0.52
14	V	E	E	87.72	5.70	11.20	18.47	116.90	-160.73	-103.71	130.49	10.74	61.95	27.32	6.37	1.51	1.77	26.91	1.97	0.02	61.00	0.45
15	L	E	E	101.58	5.06	11.63	18.23	116.73	-160.03	-104.16	128.58	12.79	61.35	25.86	7.27	1.99	2.41	24.95	2.41	0.02	60.44	0.51
16	C	E	E	75.89	6.20	10.77	18.51	116.10	-164.94	-102.96	129.49	14.25	62.01	23.74	8.11	2.33	2.70	22.95	2.49	0.03	60.79	0.60
17	Y	E	E	141.23	4.78	11.32	17.74	115.77	-164.53	-102.57	128.17	14.73	65.32	19.95	8.90	2.28	2.63	19.62	2.32	0.02	63.44	0.79
18	Y	E	E	138.86	5.41	10.81	17.93	116.12	-162.50	-107.44	132.29	20.63	64.53	14.83	13.47	3.13	3.33	14.44	2.21	0.03	62.11	1.28
19	M	E	E	118.00	4.72	10.77	17.31	113.94	-162.29	-101.10	127.18	36.23	55.41	8.36	24.72	7.49	4.08	7.47	1.82	0.05	51.96	2.41
20	S	C	C	65.04	5.57	10.21	17.56	118.02	-152.17	-104.58	133.13	69.82	29.59	0.59	52.53	15.05	1.48	0.26	0.35	0.00	29.05	1.28
21	P	C	C	85.72	5.52	10.52	17.72	110.49	-116.36	-71.60	144.34	82.48	16.34	1.18	55.36	19.55	7.01	0.35	0.85	0.00	15.80	1.08
22	R	C	C	169.82	2.44	11.12	15.17	113.57	-128.98	-92.10	132.49	86.03	12.29	1.69	58.78	21.47	5.87	0.65	1.12	0.00	7.96	4.13
23	L	C	C	104.59	5.00	9.62	16.53	116.09	-122.62	-91.69	136.25	94.41	4.51	1.08	75.22	17.61	1.65	0.61	0.49	0.00	2.78	1.64
24	P	C	C	79.57	5.70	10.57	17.99	111.38	-107.55	-68.86	148.42	90.33	2.22	7.45	67.89	10.44	12.01	4.52	2.86	0.00	1.33	0.94
25	S	C	C	72.31	3.88	11.31	16.65	111.41	-122.57	-82.26	139.56	82.70	2.60	14.70	53.48	14.90	13.99	10.81	4.12	0.00	1.17	1.53
26	S	C	H	73.12	3.83	11.85	16.95	99.35	-108.04	-73.25	-26.03	57.43	1.71	40.86	29.02	16.65	13.24	34.90	4.59	0.04	0.73	0.84
27	G	H	H	39.41	4.12	12.92	18.26	95.57	60.65	-66.36	-38.35	38.87	0.85	60.27	17.46	10.33	12.50	55.44	3.47	0.04	0.39	0.38
28	N	H	H	77.57	6.26	13.48	21.00	94.68	53.89	-68.08	-36.50	25.84	0.79	73.38	16.33	4.40	6.21	69.98	2.41	0.01	0.40	0.26
29	R	H	H	112.26	6.37	14.59	22.19	93.20	55.56	-66.02	-39.23	10.01	0.67	89.32	6.87	1.65	2.50	86.88	1.50	0.00	0.48	0.11
30	R	H	H	124.44	4.08	16.68	21.58	92.74	52.96	-65.86	-40.12	4.15	1.03	94.82	2.63	0.72	1.34	93.13	1.10	0.01	0.99	0.08
31	V	H	H	67.75	5.59	16.68	23.33	92.54	50.91	-65.66	-42.09	2.01	1.81	96.18	1.13	0.32	0.72	95.07	0.72	0.00	1.99	0.04
32	L	H	H	64.83	7.48	16.71	25.35	92.25	50.84	-64.80	-42.37	1.57	2.40	96.03	0.79	0.23	0.63	95.06	0.58	0.00	2.68	0.03
33	Y	H	H	105.19	5.78	17.73	24.38	92.17	50.44	-64.85	-41.30	1.67	2.63	95.70	0.72	0.23	0.78	94.80	0.55	0.01	2.88	0.03
34	A	H	H	47.88	4.97	17.23	23.27	91.80	51.03	-64.43	-41.46	2.26	2.57	95.17	0.83	0.28	1.18	94.19	0.64	0.01	2.83	0.04
35	V	H	H	66.39	6.01	17.18	24.21	92.11	49.74	-65.16	-41.11	4.25	2.19	93.57	1.16	0.45	2.55	92.32	0.98	0.02	2.45	0.07
36	F	H	H	88.54	7.40	16.09	24.49	92.39	50.97	-65.75	-39.60	9.49	1.96	88.55	2.27	0.97	6.03	87.02	1.42	0.04	2.11	0.14
37	Y	H	H	117.01	5.29	16.85	22.83	92.58	50.90	-66.20	-39.33	18.86	2.13	79.01	4.65	2.13	11.76	77.29	1.83	0.07	2.00	0.26
38	L	H	H	83.50	5.18	16.18	22.11	93.32	51.47	-69.17	-35.87	29.39	3.44	67.17	8.74	3.96	16.29	65.30	2.14	0.08	3.03	0.45
39	Y	H	H	106.67	6.60	15.71	23.20	94.10	54.32	-68.30	-36.06	31.01	6.59	62.40	14.02	4.79	11.98	60.11	2.41	0.11	5.90	0.68
40	I	H	H	79.01	6.69	15.69	23.22	94.76	54.24	-67.71	-38.34	15.23	9.74	75.02	8.39	2.47	4.78	71.88	2.24	0.09	9.61	0.53
41	F	H	H	101.54	5.45	16.25	22.44	93.92	52.55	-67.27	-40.30	7.74	12.97	79.29	4.01	1.22	2.41	76.21	2.08	0.05	13.67	0.34
42	V	H	H	68.25	5.65	15.92	22.51	93.17	51.10	-66.39	-41.26	4.75	13.46	81.80	2.23	0.68	1.52	79.27	1.79	0.02	14.29	0.20
43	W	H	H	114.22	6.52	16.07	23.41	93.20	50.65	-66.47	-40.60	4.31	13.20	82.48	1.80	0.61	1.61	80.04	1.93	0.03	13.79	0.19
44	C	H	H	56.22	7.13	15.47	23.63	93.02	50.69	-66.55	-39.96	6.33	13.77	79.90	2.27	0.91	2.84	77.21	2.17	0.06	14.27	0.27
45	V	H	H	74.07	5.36	16.06	22.34	93.67	49.39	-68.96	-38.48	11.22	15.10	73.68	3.45	1.66	5.66	71.35	2.36	0.14	14.88	0.50
46	R	H	H	119.43	5.30	16.26	22.29	94.19	50.61	-70.86	-35.89	21.56	14.35	64.09	6.18	3.28	11.43	61.88	2.70	0.24	13.44	0.86
47	C	H	H	55.65	8.21	14.56	23.73	96.22	52.95	-74.27	-35.49	34.53	16.24	49.22	12.93	6.48	14.69	46.37	3.28	0.29	14.49	1.48
48	F	C	H	102.10	6.92	15.52	23.24	96.95	53.64	-76.53	-29.94	41.20	19.03	39.77	17.53	7.76	15.24	36.94	3.84	0.29	16.58	1.82
49	F	C	H	108.77	6.12	15.42	22.44	100.00	53.75	-76.08	-22.28	40.76	23.15	36.09	19.33	7.68	13.40	32.32	4.52	0.25	20.46	2.04
50	C	C	H	64.00	7.16	14.65	22.80	100.15	59.38	-78.06	-27.01	37.04	26.94	36.02	16.07	7.39	13.63	30.63	5.64	0.26	24.42	1.95
51	G	H	H	33.50	7.62	14.57	23.12	103.56	56.42	-80.80	-33.30	34.85	29.69	35.47	14.43	6.88	13.64	30.00	5.75	0.23	27.38	1.69
52	I	E	E	89.78	6.71	14.28	21.95	100.57	56.06	-80.83	-26.81	27.56	38.16	34.28	14.43	5.32	7.56	30.28	4.97	0.14	35.58	1.72
53	F	E	E	111.64	6.13	13.94	21.17	102.14	59.49	-84.18	-12.01	28.78	39.79	31.42	17.36	4.85	6.32	28.36	4.37	0.11	36.74	1.89
54	I	C	C	87.98	7.38	12.67	21.14	102.99	67.88	-87.16	4.54	46.72	28.77	24.51	32.85	5.64	6.46	22.67	3.34	0.04	27.64	1.36
55	L	C	C	97.82	5.27	13.27	19.78	103.28	67.92	-81.20	-13.69	52.15	22.31	25.54	34.40	7.46	8.92	22.11	4.53	0.03	21.33	1.23
56	S	C	C	70.19	4.65	13.63	19.41	102.02	58.05	-84.25	-5.26	51.47	21.16	27.36	29.57	9.90	11.67	21.28	6.43	0.11	19.60	1.44
57	F	C	C	104.62	8.24	12.56	21.86	105.52	70.97	-90.37	27.95	45.62	29.24	25.14	27.38	9.39	9.03	17.88	7.32	0.12	27.31	1.56
58	A	E	E	58.54	7.18	14.41	22.77	107.52	82.60	-87.87	62.17	32.62	44.48	22.90	20.75	6.85	5.32	16.23	6.00	0.05	43.70	1.10
59	L	E	E	79.21	9.58	14.46	24.69	111.70	54.57	-97.24	108.76	16.74	63.03	20.23	10.82	3.24	2.84	15.54	4.22	0.02	62.63	0.69
60	F	E	E	87.43	10.48	15.43	26.66	119.93	51.06	-110.68	131.52	10.06	75.77	14.17	6.89	1.47	1.31	12.36	2.11	0.01	75.42	0.43
61	I	E	E	73.10	10.76	15.89	27.45	115.38	-158.78	-101.96	122.53	7.85	83.29	8.86	5.61	0.86	0.80	8.85	1.00	0.00	82.46	0.41
62	I	E	E	69.74	10.74	14.87	26.61	116.33	-165.19	-103.16	125.12	11.35	82.82	5.84	8.44	1.27	1.02	6.15	0.83	0.00	81.40	0.87
63	E	E	E	104.17	7.58	15.25	23.93	115.17	-160.87	-98.45	130.37	30.40	63.72	5.87	18.67	5.77	5.99	4.26	1.76	0.01	62.41	1.12
64	G	C	C	38.92	7.92	14.43	23.21	116.68	14.65	116.02	174.02	69.37	27.14	3.49	26.42	20.31	23.66	1.12	1.96	0.01	25.10	1.40
65	G	C	C	42.47	7.04	14.13	22.16	114.45	-104.29	-99.71	169.73	77.65	18.60	3.75	33.73	24.98	20.58	0.90	2.56	0.02	15.09	2.16
66	G	C	C	40.57	6.27	13.80	21.25	120.25	-119.95	145.88	171.59	73.92	21.54	4.54	35.18	24.91	15.67	1.15	3.29	0.03	16.37	3.41
67	F	C	C	109.58	7.96	10.53	19.66	110.50	-83.92	-91.69	114.38	66.27	27.22	6.51	38.25	16.31	12.61	2.22	4.50	0.09	17.63	8.39
68	I	C	T	121.98	3.25	11.67	16.45	99.03	-162.02	-77.78	-22.36	80.56	14.60	4.85	19.59	16.62	45.60	1.16	3.39	0.02	10.85	2.77
69	D	C	T	116.47	1.69	12.79	14.85	99.66	42.13	-90.09	4.36	89.89	6.58	3.54	21.29	21.27	47.91	0.63	2.81	0.01	4.89	1.18
70	L	C	C	70.59	8.67	8.34	18.36	114.03	92.41	-106.44	116.26	88.87	10.01	1.12	56.67	30.25	2.54	0.45	0.69	0.00	6.00	3.40
71	P	C	T	95.61	3.00	12.99	17.17	107.38	-129.88	-69.13	129.42	85.27	8.34	6.39	24.09	13.44	48.72	2.84	3.09	0.01	6.61	1.19
72	G	C	T	46.65	4.58	13.62	19.39	102.14	22.88	75.56	2.31	75.19	16.47	8.34	19.03	13.43	43.96	4.12	3.75	0.04	14.07	1.59
73	I	C	C	68.91	11.06	9.92	21.86	116.54	115.32	-96.16	127.84	52.62	37.51	9.88	40.70	7.16	4.21	6.20	3.98	0.03	34.26	3.45
74	K	E	E	116.96	5.46	14.66	21.65	117.36	-162.82	-105.14	133.30	35.58	52.01	12.42	26.75	4.73	3.82	9.47	3.56	0.05	48.83	2.79
75	Y	E	E	107.07	10.07	12.24	23.31	119.65	-154.91	-105.06	134.89	29.68	54.42	15.90	20.23	5.61	4.81	11.86	4.61	0.12	50.77	1.99
76	Y	E	E	113.80	7.83	12.90	22.15	118.62	-159.94	-108.98	134.73	29.46	54.43	16.11	20.48	5.40	4.33	11.99	4.65	0.11	51.10	1.92
77	T	E	E	65.81	8.38	11.54	21.32	119.24	-163.03	-108.08	138.27	34.91	50.27	14.82	25.27	5.77	4.35	10.16	4.81	0.06	47.78	1.80
78	R	E	E	139.95	5.11	11.60	18.28	111.82	-151.59	-93.44	124.00	42.35	43.25	14.41	24.73	11.05	8.63	7.69	5.92	0.09	40.15	1.74
79	I	C	E	106.44	5.06	9.92	16.69	113.51	-155.75	-97.39	124.15	45.37	40.82	13.81	25.90	11.31	10.99	6.73	6.24	0.13	36.52	2.19
80	C	C	C	86.57	4.34	9.26	15.38	112.99	-158.76	-97.82	122.49	58.49	32.87	8.64	46.17	3.37	7.95	4.39	3.62	0.01	30.84	3.64
81	Y	C	C	143.48	5.43	10.90	17.90	112.33	-162.04	-101.72	116.50	98.83	1.15	0.03	98.83	0.13	0.05	0.01	0.00	0.00	0.93	0.04