#	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	107.10	6.45	15.61	23.20	115.77	-154.32	-95.19	131.04	99.15	0.84	0.01	99.27	0.07	0.02	0.00	0.00	0.00	0.62	0.03
1	A	C	C	58.47	9.99	11.89	22.77	119.82	-148.88	-99.75	140.10	68.57	30.28	1.15	65.78	1.09	0.95	0.40	0.46	0.00	30.45	0.86
2	H	E	E	90.64	9.17	14.31	24.65	122.13	-163.38	-114.05	138.24	34.43	63.91	1.67	25.33	7.76	1.53	0.59	0.87	0.00	63.30	0.62
3	I	E	E	78.86	10.58	16.07	27.54	120.57	-149.47	-108.04	131.98	14.48	84.06	1.46	12.94	1.17	0.30	0.80	0.43	0.00	83.94	0.41
4	V	E	E	33.88	15.69	16.13	32.45	122.85	-167.19	-119.34	131.81	7.61	91.42	0.97	7.11	0.42	0.12	0.81	0.18	0.00	91.10	0.27
5	K	E	E	100.48	8.81	21.22	30.60	117.47	-149.31	-98.80	125.91	10.24	88.47	1.30	9.36	0.63	0.21	0.98	0.27	0.00	88.15	0.42
6	I	E	E	25.40	17.81	15.63	33.90	112.80	-161.13	-106.29	116.78	32.99	64.15	2.86	30.88	1.52	0.47	1.54	0.97	0.00	63.58	1.04
7	Y	C	C	85.10	12.67	17.32	30.05	104.11	-161.34	-84.09	-35.10	44.30	23.12	32.59	26.82	10.21	10.02	4.39	24.88	0.02	22.54	1.12
8	D	C	T	107.91	3.38	21.03	24.55	98.65	27.10	-83.37	-12.99	54.46	13.11	32.42	10.29	19.30	28.27	3.23	25.93	0.09	11.36	1.54
9	T	C	G	65.04	9.45	19.34	28.99	108.85	46.53	-115.19	9.14	54.29	13.74	31.97	19.60	14.45	23.68	3.63	25.68	0.08	11.10	1.79
10	C	C	C	15.24	22.72	12.76	34.71	114.96	116.74	-89.09	126.59	76.55	19.75	3.70	63.75	8.58	3.02	1.89	1.95	0.00	13.64	7.18
11	I	C	C	68.20	10.23	22.95	33.30	111.10	-160.94	-96.48	113.95	72.98	21.05	5.97	36.82	18.69	19.08	3.64	2.34	0.15	12.81	6.47
12	G	C	S	29.02	10.50	22.92	33.46	99.50	-16.49	76.45	14.24	82.91	8.93	8.16	26.68	33.09	23.98	6.06	2.17	0.03	5.46	2.53
13	C	C	C	11.03	23.30	15.53	38.09	97.03	138.98	-72.36	-15.23	66.34	2.25	31.42	50.86	9.62	5.47	30.13	1.99	0.00	0.95	0.98
14	T	H	H	64.18	9.37	22.21	31.82	92.82	86.95	-63.55	-39.70	17.91	0.35	81.74	10.07	4.38	4.59	79.53	1.13	0.02	0.12	0.15
15	Q	H	H	85.45	6.02	24.37	30.55	92.29	52.01	-66.03	-40.04	4.27	0.40	95.33	2.01	1.12	1.97	93.12	1.40	0.03	0.23	0.12
16	C	H	H	4.81	23.51	17.41	41.01	91.73	51.61	-64.77	-42.70	1.62	0.38	98.01	0.61	0.32	0.91	96.22	1.56	0.02	0.30	0.06
17	V	H	H	25.46	19.39	18.66	37.34	91.74	51.61	-63.87	-40.14	1.76	0.39	97.85	0.54	0.23	1.11	96.26	1.44	0.02	0.35	0.05
18	R	H	H	157.35	2.50	23.65	26.09	91.66	52.47	-66.78	-34.54	6.10	0.29	93.60	0.93	0.42	5.03	92.10	1.14	0.08	0.20	0.10
19	A	H	H	38.32	11.30	18.76	30.65	93.46	50.28	-79.36	-22.54	19.21	0.23	80.56	0.98	1.60	16.50	79.99	0.59	0.12	0.06	0.17
20	C	C	C	9.26	23.45	10.69	33.51	109.60	74.03	-102.89	103.63	97.76	0.94	1.30	63.49	32.84	1.24	1.32	0.16	0.00	0.30	0.65
21	P	C	T	90.76	3.95	20.29	25.18	93.61	-166.91	-67.02	-20.43	86.72	1.22	12.06	26.74	16.67	43.36	5.43	6.51	0.00	0.63	0.64
22	L	C	T	70.77	10.29	16.94	27.88	96.38	56.17	-92.24	-2.19	84.24	1.12	14.64	6.62	25.60	52.52	6.36	7.65	0.02	0.62	0.61
23	D	C	C	86.69	8.70	20.89	30.02	95.73	-117.99	58.30	44.98	79.01	4.97	16.02	40.07	17.76	21.27	5.22	11.05	0.01	3.42	1.19
24	V	C	C	14.11	20.58	18.00	38.61	97.33	145.19	-84.65	-24.76	67.79	18.62	13.59	37.71	22.54	8.12	5.52	7.90	0.04	16.30	1.86
25	L	E	E	9.77	24.16	16.55	40.62	125.79	46.31	-122.76	135.00	30.75	55.65	13.59	20.78	8.46	5.11	6.09	7.02	0.08	49.40	3.07
26	E	E	E	88.19	7.79	25.36	33.69	127.00	-172.30	-122.03	140.92	28.71	63.01	8.28	22.95	4.51	2.53	3.68	3.88	0.02	60.77	1.66
27	M	E	E	60.43	17.70	16.34	33.39	115.41	-127.36	-89.30	130.15	38.10	58.35	3.55	30.83	6.13	1.80	2.01	1.75	0.01	53.57	3.90
28	V	C	C	38.04	11.92	15.50	29.06	122.19	-163.32	-113.00	136.99	63.05	36.21	0.74	50.92	10.60	0.95	0.33	0.46	0.00	34.49	2.24
29	P	C	C	79.75	5.01	17.90	23.73	111.83	-108.50	-67.51	141.86	75.77	20.55	3.68	59.52	9.58	5.52	1.00	2.68	0.00	20.28	1.42
30	W	C	C	101.72	14.01	9.65	23.13	107.84	-144.31	-94.68	90.74	66.56	17.35	16.09	30.91	15.70	22.02	3.79	11.49	0.12	10.51	5.44
31	D	C	T	118.81	1.82	14.33	16.63	100.25	41.14	-77.09	38.94	82.43	3.60	13.98	12.61	16.39	53.12	3.03	11.02	0.02	2.40	1.40
32	G	C	T	57.16	2.12	14.12	16.75	99.70	-53.17	84.51	0.91	84.25	2.77	12.97	14.99	22.22	47.58	2.97	9.44	0.02	1.73	1.05
33	C	C	C	41.78	12.91	8.89	22.10	119.00	119.26	-92.88	142.61	72.44	18.91	8.65	50.45	14.65	6.46	5.35	3.89	0.05	11.43	7.71
34	K	C	C	114.94	3.76	18.01	21.99	115.42	-128.82	-86.98	142.14	64.10	20.03	15.86	46.63	10.07	6.16	12.53	4.62	0.06	13.36	6.56
35	A	H	H	49.38	13.23	11.98	25.21	95.32	-114.44	-61.89	-33.50	40.03	7.54	52.43	16.62	8.65	15.49	32.73	18.97	0.45	5.36	1.72
36	S	H	H	72.26	3.68	17.01	21.51	93.91	59.83	-68.96	-27.51	35.86	8.15	55.99	13.95	7.24	15.05	35.64	19.90	0.40	6.28	1.53
37	Q	H	H	89.78	7.01	17.09	24.94	95.34	58.05	-75.48	-24.08	30.55	11.66	57.79	15.89	6.28	9.36	37.87	19.18	0.26	9.35	1.80
38	M	H	H	37.28	18.73	12.33	29.91	97.92	61.20	-76.92	-27.30	31.20	18.08	50.73	18.35	6.49	8.27	36.56	12.73	0.36	14.14	3.10
39	A	C	H	58.06	8.99	17.04	26.54	97.87	67.51	-73.47	-22.87	44.36	14.95	40.69	20.22	8.78	16.35	30.10	9.73	0.42	11.62	2.78
40	S	C	T	76.09	4.03	19.40	23.89	100.84	53.70	-91.43	3.90	60.13	10.27	29.60	21.80	14.14	25.32	19.73	9.12	0.41	6.71	2.76
41	A	C	C	31.60	16.76	13.50	29.91	118.29	109.20	-85.88	140.65	96.39	2.89	0.72	56.63	39.63	0.68	0.51	0.21	0.00	1.59	0.75
42	P	C	C	46.37	12.59	16.19	29.53	113.25	-105.25	-66.66	150.08	92.16	4.76	3.08	85.41	4.69	1.92	1.79	1.15	0.00	2.56	2.49
43	R	C	C	114.70	8.02	19.18	27.63	113.99	-114.08	-83.00	136.60	88.48	7.04	4.48	81.73	4.24	2.06	2.31	1.86	0.00	2.66	5.14
44	T	H	G	50.76	16.94	13.15	28.99	96.03	-129.43	-66.54	-26.98	35.26	2.37	62.37	17.96	6.89	11.59	7.52	53.87	0.00	1.61	0.56
45	E	H	G	137.30	3.09	18.90	22.78	92.72	66.79	-69.95	-20.42	30.42	2.22	67.36	6.69	6.45	18.70	8.00	58.02	0.02	1.66	0.46
46	D	H	G	84.19	6.59	18.57	25.90	97.85	51.46	-93.72	6.02	30.20	2.87	66.92	9.34	6.80	15.78	6.51	58.79	0.05	2.08	0.66
47	C	C	C	15.99	22.29	11.70	33.05	112.89	109.40	-84.29	125.31	72.10	17.07	10.83	55.50	10.40	4.94	5.47	5.99	0.03	10.85	6.83
48	V	C	T	63.65	9.27	22.51	32.04	113.40	-160.27	-94.00	126.07	66.02	24.94	9.05	22.32	13.59	31.98	5.44	3.65	0.32	16.22	6.48
49	G	C	T	25.28	11.34	21.39	32.81	101.21	5.49	87.36	2.02	80.23	12.04	7.73	18.73	23.65	39.26	3.81	3.44	0.07	8.29	2.76
50	C	C	C	14.92	21.39	14.09	34.80	98.26	138.21	-71.56	-3.17	89.92	2.85	7.23	82.93	5.00	1.96	6.18	1.22	0.00	1.42	1.28
51	K	H	H	126.54	3.71	21.77	26.25	92.69	90.61	-61.76	-40.62	26.45	0.66	72.89	6.39	6.51	15.25	67.50	3.48	0.21	0.32	0.33
52	R	H	H	114.79	5.85	21.70	27.87	92.37	50.33	-66.39	-38.53	18.03	0.63	81.35	3.24	3.56	12.45	75.94	3.93	0.22	0.41	0.24
53	C	H	H	5.90	23.29	14.08	37.28	92.44	51.40	-66.63	-40.24	8.47	0.96	90.56	3.49	1.59	4.17	84.42	5.26	0.06	0.84	0.17
54	E	H	H	78.35	13.54	17.82	30.91	91.75	56.50	-63.56	-36.98	6.96	0.93	92.11	2.42	1.06	3.85	86.28	5.31	0.06	0.87	0.14
55	T	H	H	101.10	1.50	22.11	22.01	93.09	50.88	-71.97	-29.61	12.48	0.58	86.94	2.23	1.41	8.95	83.17	3.55	0.09	0.47	0.14
56	A	H	H	38.28	11.47	16.91	28.99	95.77	48.30	-81.83	-28.39	22.31	0.56	77.14	2.66	3.92	16.93	73.87	1.87	0.21	0.25	0.29
57	C	C	C	13.69	20.63	10.23	30.15	113.31	47.28	-117.00	99.29	98.18	0.84	0.98	64.94	32.10	1.07	0.86	0.18	0.00	0.28	0.56
58	P	C	T	91.92	3.77	17.56	22.30	94.30	-162.54	-66.20	-20.71	85.91	0.99	13.10	22.53	15.83	47.58	6.98	6.03	0.00	0.66	0.38
59	T	C	T	77.90	5.54	16.16	22.62	99.72	51.43	-93.50	-5.36	79.39	2.15	18.45	8.47	21.45	50.01	9.95	7.70	0.03	1.75	0.63
60	D	C	C	87.68	8.56	17.45	26.63	98.02	-118.69	50.23	44.56	74.38	5.93	19.69	41.87	16.10	16.44	9.68	10.09	0.01	4.56	1.25
61	F	C	C	55.20	15.22	16.02	31.21	98.70	145.53	-88.29	-19.09	62.33	17.10	20.57	39.20	14.47	9.03	12.41	7.79	0.03	15.45	1.61
62	L	E	E	35.30	19.71	14.79	33.59	120.45	62.70	-112.98	127.65	32.60	47.75	19.65	21.83	6.92	5.57	13.03	6.14	0.11	44.60	1.79
63	S	E	E	51.49	8.09	21.61	30.25	124.46	126.27	-120.46	139.39	24.90	60.18	14.91	18.81	3.66	2.66	10.00	4.04	0.02	59.94	0.87
64	V	E	E	46.70	17.84	14.18	31.45	122.26	-158.77	-117.56	131.08	21.58	66.93	11.49	17.26	2.11	1.30	9.04	1.82	0.00	67.87	0.58
65	R	E	E	122.46	6.25	18.41	25.96	120.89	-165.13	-114.35	131.36	18.01	71.62	10.37	14.50	1.49	1.06	8.38	1.57	0.00	72.51	0.47
66	V	E	E	56.82	12.57	13.18	26.62	119.27	-159.23	-109.85	129.11	20.38	69.32	10.30	16.33	1.96	1.38	8.09	1.85	0.00	69.78	0.61
67	Y	E	E	114.58	6.53	13.84	22.08	117.34	-161.29	-108.24	127.08	31.03	59.51	9.45	23.90	4.40	2.76	7.37	2.13	0.01	58.29	1.15
68	L	C	E	97.25	6.28	11.00	18.94	114.70	-163.55	-105.64	119.98	53.16	37.56	9.28	26.85	12.78	14.70	6.25	2.81	0.02	35.12	1.47
69	G	C	T	52.92	2.66	11.93	15.56	113.86	-52.64	77.40	-149.90	83.68	9.23	7.09	22.38	22.87	38.28	4.73	2.55	0.00	8.31	0.87
70	S	C	T	94.86	1.51	10.98	13.13	105.22	-27.23	-89.51	46.69	86.41	6.16	7.43	26.54	27.26	32.71	4.10	3.46	0.00	5.01	0.92
71	E	C	C	130.98	3.47	9.36	14.71	116.88	124.72	-97.13	136.71	71.35	20.25	8.40	37.85	21.81	12.48	4.68	3.72	0.02	17.21	2.25
72	S	C	C	76.61	3.84	10.06	15.85	119.55	-156.40	-103.49	141.67	65.74	26.27	7.99	47.48	11.94	6.06	4.66	3.25	0.01	24.43	2.16
73	T	C	C	89.07	5.35	9.53	16.77	119.82	-154.12	-110.57	137.15	57.30	32.01	10.68	42.81	9.11	5.35	6.25	4.32	0.02	29.45	2.69
74	R	C	C	155.05	3.53	10.76	16.29	118.46	-159.09	-106.60	137.57	54.95	31.68	13.37	37.75	10.08	7.50	7.20	5.80	0.04	29.47	2.16
75	S	C	C	77.45	4.37	9.73	15.98	117.17	-138.57	-96.00	137.35	59.35	26.80	13.85	39.14	10.30	10.23	6.54	6.89	0.03	24.76	2.10
76	M	C	C	129.21	4.01	9.24	14.93	109.35	-151.81	-96.47	97.71	66.66	20.57	12.77	32.08	14.11	21.74	5.69	6.61	0.05	17.48	2.24
77	G	C	C	55.46	2.51	10.39	14.16	106.81	-69.55	83.50	15.78	74.67	17.04	8.28	32.20	18.94	24.87	2.96	4.90	0.02	14.43	1.67
78	L	C	C	111.45	4.35	7.53	13.66	114.24	136.36	-93.27	130.50	72.10	19.02	8.88	46.94	13.79	11.83	3.47	5.36	0.02	16.11	2.49
79	S	C	C	85.10	2.31	8.79	12.87	115.90	-159.55	-99.47	135.31	76.83	16.53	6.65	62.85	4.18	9.48	3.48	2.82	0.00	14.03	3.16
80	Y	C	C	148.93	5.55	10.17	17.26	112.94	-141.98	-99.52	120.48	99.19	0.67	0.14	99.06	0.19	0.14	0.09	0.01	0.00	0.45	0.06