#	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	G	C	C	35.89	5.93	13.85	21.14	127.49	-146.98	112.26	174.69	99.88	0.11	0.01	99.52	0.35	0.05	0.00	0.00	0.00	0.06	0.01
1	P	C	C	100.44	3.24	11.99	16.56	111.35	-56.36	-72.36	146.74	84.99	3.72	11.28	73.55	2.72	10.24	4.47	5.16	0.00	2.68	1.19
2	M	C	C	121.31	5.38	8.48	15.48	114.32	-121.44	-88.83	129.85	69.38	16.33	14.30	43.95	12.54	13.82	5.04	8.73	0.04	12.64	3.24
3	E	C	C	130.88	3.24	10.85	15.86	117.24	-154.41	-101.57	135.30	56.32	26.14	17.54	37.99	10.88	8.50	7.37	9.66	0.07	22.37	3.16
4	E	C	C	128.05	4.67	10.28	16.90	115.45	-130.26	-89.40	133.74	54.68	27.61	17.71	36.65	11.21	7.73	8.21	8.87	0.08	24.57	2.68
5	V	C	C	85.76	6.98	10.41	18.98	116.44	-158.28	-101.42	134.62	61.36	25.98	12.66	45.91	9.82	5.67	6.09	6.09	0.03	24.06	2.33
6	K	C	C	137.33	3.92	13.67	19.22	114.85	-135.25	-88.97	130.11	64.57	26.58	8.85	48.86	9.00	6.27	4.25	4.28	0.01	25.00	2.33
7	T	C	C	72.22	10.09	10.93	21.74	120.34	-168.07	-113.54	137.12	64.65	30.82	4.53	47.52	12.94	4.29	1.89	2.72	0.01	26.60	4.02
8	T	C	C	79.58	4.87	14.89	21.11	120.95	-151.06	-104.79	137.17	71.30	27.84	0.87	53.62	16.10	1.72	0.29	0.59	0.00	25.73	1.96
9	P	C	C	84.54	6.86	13.64	21.91	113.08	-105.83	-67.68	144.15	67.94	30.09	1.97	54.78	9.78	2.70	0.79	1.26	0.00	26.60	4.09
10	I	C	C	69.08	11.59	10.07	22.36	116.71	-136.85	-96.75	132.94	71.97	26.20	1.83	56.99	11.73	2.35	0.87	1.13	0.01	20.06	6.86
11	P	C	C	86.32	3.82	14.13	18.83	113.27	-109.40	-74.70	151.76	79.73	15.57	4.70	53.56	15.13	11.06	1.60	3.31	0.01	12.16	3.18
12	N	C	T	128.64	1.96	14.68	17.08	99.25	-33.41	-43.26	13.85	89.42	2.32	8.26	15.72	22.15	51.85	2.41	5.52	0.01	1.52	0.80
13	H	C	T	105.23	8.63	13.62	22.87	104.24	23.55	-84.22	41.36	87.37	4.82	7.81	21.14	19.81	46.92	2.22	5.32	0.02	3.51	1.06
14	Q	C	C	74.32	9.85	16.54	27.04	112.62	133.23	-97.63	138.99	52.48	39.56	7.96	30.71	13.35	9.50	3.69	4.83	0.26	27.42	10.24
15	C	C	E	22.93	18.23	13.24	31.12	112.58	-121.75	-94.33	122.39	49.59	42.59	7.82	36.01	6.77	6.46	3.78	4.69	0.03	36.49	5.77
16	V	C	T	75.10	7.76	19.07	27.25	106.08	-153.28	-98.47	-17.54	57.20	35.73	7.07	12.93	12.14	33.78	2.36	4.35	0.07	32.05	2.31
17	N	C	T	102.96	4.20	20.93	25.29	100.77	21.62	-95.04	38.94	60.97	32.60	6.44	11.05	13.60	37.25	1.62	4.37	0.03	30.73	1.35
18	A	C	C	21.17	18.19	12.63	30.64	120.07	156.00	-94.26	142.27	64.24	34.23	1.52	45.35	15.59	2.88	0.40	1.08	0.00	33.41	1.28
19	T	E	E	57.15	6.97	23.58	31.09	122.39	-159.88	-117.12	136.09	36.02	63.53	0.44	30.50	4.11	1.04	0.14	0.32	0.00	61.95	1.93
20	C	E	E	14.96	21.49	13.65	35.11	124.58	-161.56	-116.49	140.26	18.01	81.91	0.08	15.92	1.58	0.16	0.01	0.05	0.00	81.76	0.51
21	E	E	E	76.49	6.75	23.07	30.37	121.19	-161.96	-115.63	133.20	5.21	94.77	0.02	4.53	0.40	0.04	0.00	0.01	0.00	94.88	0.15
22	R	E	E	67.83	16.98	13.76	30.36	123.46	-159.85	-114.57	137.21	3.06	96.94	0.00	2.79	0.12	0.01	0.00	0.00	0.00	97.02	0.06
23	K	E	E	95.43	5.56	19.52	26.11	126.79	-172.48	-125.53	143.24	1.55	98.45	0.00	1.37	0.08	0.00	0.00	0.00	0.00	98.52	0.03
24	L	E	E	76.87	9.21	12.19	22.93	117.07	-135.30	-100.30	131.78	1.79	98.20	0.00	1.73	0.09	0.01	0.00	0.00	0.00	97.00	1.17
25	D	C	C	52.76	6.24	10.96	19.26	125.00	-143.03	-91.42	173.51	93.37	6.59	0.04	93.80	0.37	0.10	0.01	0.02	0.00	5.01	0.70
26	A	C	T	99.12	1.24	10.30	12.44	90.13	-91.62	-63.66	-20.41	99.70	0.10	0.20	0.21	2.33	97.21	0.00	0.17	0.00	0.06	0.02
27	L	C	T	132.08	0.90	10.96	11.53	92.71	55.58	-87.12	-0.10	99.74	0.05	0.21	0.14	2.41	97.25	0.00	0.18	0.00	0.02	0.01
28	G	C	S	45.54	3.93	10.91	16.65	96.93	-104.12	86.86	6.75	99.19	0.63	0.19	16.92	81.62	0.79	0.02	0.13	0.00	0.30	0.22
29	N	C	C	88.74	3.27	13.71	18.53	117.96	136.77	-82.30	141.34	97.39	2.58	0.02	95.00	2.66	0.12	0.00	0.02	0.00	1.78	0.43
30	A	E	E	54.95	9.37	12.98	23.64	115.66	-121.44	-87.10	135.07	2.42	97.57	0.01	2.28	0.13	0.02	0.00	0.01	0.00	96.68	0.87
31	V	E	E	47.31	10.31	15.91	27.81	126.40	-174.56	-124.24	143.62	1.89	98.10	0.00	1.68	0.09	0.01	0.00	0.00	0.00	98.13	0.09
32	I	E	E	60.64	13.53	14.81	28.96	119.08	-140.43	-107.34	131.07	5.01	94.96	0.02	4.57	0.26	0.04	0.00	0.02	0.00	94.76	0.34
33	T	E	E	64.84	7.94	18.76	27.52	123.98	-172.43	-116.93	143.90	23.48	76.42	0.10	14.50	7.44	1.45	0.01	0.11	0.00	76.09	0.40
34	K	C	E	123.96	5.09	21.85	27.25	103.03	2.54	60.64	78.20	51.89	47.94	0.18	29.42	20.68	2.37	0.02	0.20	0.00	45.98	1.31
35	C	C	C	23.71	20.94	11.88	31.73	118.83	-141.83	-89.95	140.55	80.63	19.27	0.10	74.51	6.04	0.19	0.04	0.07	0.00	16.24	2.90
36	P	C	C	37.25	10.45	16.98	28.87	116.87	-104.35	-66.54	154.33	96.94	2.69	0.37	90.27	4.86	1.81	0.11	0.27	0.00	1.82	0.87
37	Q	C	T	140.24	2.21	18.42	21.39	110.10	-85.91	-62.74	135.86	97.21	1.92	0.87	1.85	12.02	83.58	0.06	0.79	0.00	1.26	0.44
38	G	C	T	40.25	5.45	19.12	25.52	96.14	23.46	87.83	-5.44	96.00	3.35	0.65	3.92	12.08	79.98	0.04	0.70	0.00	3.00	0.28
39	C	C	C	17.63	18.60	13.93	32.79	123.71	117.07	-98.41	144.86	63.43	36.29	0.28	55.81	5.82	0.82	0.04	0.28	0.00	35.69	1.53
40	L	E	E	52.45	10.65	23.98	35.18	119.34	-141.81	-104.54	136.86	12.53	87.37	0.10	10.88	1.25	0.24	0.02	0.08	0.00	86.70	0.82
41	C	E	E	13.69	21.10	18.01	38.93	124.14	-160.00	-115.08	137.24	4.66	95.24	0.10	3.92	0.51	0.13	0.04	0.05	0.00	95.07	0.29
42	V	E	E	37.58	11.39	21.60	34.09	120.07	-162.44	-113.40	130.00	3.86	96.04	0.09	3.31	0.32	0.07	0.04	0.04	0.00	95.97	0.26
43	V	E	E	39.76	14.53	16.20	31.35	118.63	-159.84	-106.87	131.10	9.80	90.08	0.12	8.57	0.89	0.16	0.03	0.07	0.00	89.65	0.62
44	R	E	E	123.65	6.79	16.69	24.59	117.82	-159.71	-107.82	132.12	40.55	59.03	0.42	31.06	7.72	1.65	0.07	0.36	0.00	57.99	1.14
45	G	C	C	32.36	7.90	11.87	20.93	124.61	-105.84	-106.48	168.43	76.76	22.00	1.23	45.49	22.54	8.86	0.16	1.21	0.00	20.38	1.36
46	A	C	C	79.61	2.89	11.39	15.54	111.41	-81.62	-82.01	136.56	86.65	9.93	3.42	32.35	28.64	26.45	0.40	3.30	0.00	6.95	1.91
47	S	C	T	91.96	1.58	11.21	13.23	104.10	-11.90	-58.72	20.10	92.93	2.98	4.09	20.70	32.45	39.67	0.41	3.99	0.00	1.81	0.97
48	N	C	S	118.12	3.03	9.84	14.32	103.64	-43.69	-89.19	22.61	90.74	5.81	3.45	23.75	35.49	31.86	0.38	3.23	0.00	3.95	1.33
49	I	C	S	115.83	3.48	10.58	15.77	112.09	113.47	-94.95	116.88	79.17	18.67	2.16	30.21	35.56	14.82	0.42	1.89	0.01	13.66	3.44
50	V	C	C	86.11	5.67	11.90	19.28	115.42	-153.21	-103.38	124.67	76.76	22.13	1.12	38.41	36.41	3.12	0.38	0.74	0.00	17.84	3.10
51	P	C	C	76.74	6.94	14.60	22.70	113.31	-124.90	-74.58	141.27	74.75	23.36	1.89	61.28	8.37	4.03	0.54	1.40	0.00	21.37	3.01
52	A	C	C	45.49	12.09	12.08	24.79	115.00	-136.52	-91.65	133.53	63.16	33.36	3.49	43.86	11.34	7.36	1.17	2.35	0.02	29.20	4.72
53	N	C	E	101.13	5.12	17.44	23.72	117.49	-157.17	-108.52	133.90	50.20	46.32	3.49	31.57	12.83	7.65	1.44	2.08	0.03	40.74	3.66
54	G	E	E	25.56	10.75	15.88	27.32	135.52	141.51	-157.58	174.55	44.01	50.91	5.08	26.35	14.95	5.70	2.68	2.36	0.06	45.15	2.73
55	T	E	E	62.14	8.14	20.25	29.08	126.55	-111.70	-118.68	151.10	35.21	53.94	10.85	25.45	6.32	3.46	8.57	3.05	0.07	45.87	7.22
56	C	H	H	36.26	16.24	14.70	30.80	105.73	-128.17	-81.78	92.04	24.18	32.32	43.51	14.03	5.42	6.03	32.72	10.00	0.24	29.65	1.90
57	F	H	H	93.47	9.31	17.09	26.94	108.04	85.32	-88.03	94.63	18.21	27.66	54.13	10.39	3.82	5.39	39.09	13.48	0.19	26.21	1.44
58	Q	H	H	95.85	6.45	16.91	24.05	106.19	70.19	-81.13	72.00	20.13	24.70	55.17	11.36	3.99	6.00	38.70	15.08	0.17	23.20	1.51
59	L	H	H	75.01	10.04	12.99	23.75	104.64	55.62	-81.59	37.28	29.53	19.89	50.58	15.72	6.16	9.26	35.54	13.59	0.46	16.57	2.70
60	A	C	C	57.29	8.25	11.95	21.25	105.10	65.02	-83.63	47.18	56.08	12.37	31.54	31.41	11.87	13.70	24.88	6.20	0.20	8.75	2.99
61	T	C	C	95.64	3.64	12.16	17.07	105.01	70.46	-90.20	9.24	80.07	7.26	12.68	41.29	20.43	18.69	9.54	3.28	0.03	4.44	2.30
62	T	C	C	99.84	2.71	11.05	15.19	107.40	80.47	-92.80	33.85	90.61	5.42	3.97	51.65	28.63	10.79	2.05	1.78	0.00	3.07	2.02
63	K	C	C	144.72	2.57	11.29	15.46	116.81	-103.32	-98.59	131.86	95.16	4.46	0.38	58.22	36.48	1.10	0.13	0.21	0.00	2.10	1.74
64	P	C	C	85.28	5.19	10.56	17.63	115.89	-105.28	-68.98	149.13	97.91	1.46	0.62	86.54	9.83	1.62	0.16	0.45	0.00	0.89	0.51
65	P	C	C	88.22	5.26	10.98	17.97	112.77	-103.29	-67.37	147.95	95.61	3.23	1.16	83.31	7.79	4.46	0.25	0.93	0.00	1.95	1.32
66	M	C	C	125.38	4.53	11.05	17.34	113.51	-118.82	-89.92	131.61	82.50	16.26	1.24	68.27	10.41	2.64	0.41	0.89	0.00	6.67	10.69
67	A	C	C	69.03	4.62	10.74	17.14	119.37	-138.12	-93.93	142.90	92.09	7.51	0.41	79.05	12.53	0.79	0.15	0.25	0.00	4.92	2.31
68	P	C	C	94.76	4.14	10.64	16.52	112.05	-102.38	-66.91	147.02	89.84	6.83	3.34	69.31	10.67	9.52	0.91	2.55	0.00	4.55	2.48
69	G	C	C	51.56	3.18	10.30	14.94	114.22	35.58	-88.91	160.05	88.41	5.07	6.52	55.40	18.91	13.91	1.92	4.67	0.00	2.67	2.52
70	D	C	C	113.81	2.12	10.91	14.02	106.85	-74.34	-85.99	69.24	83.12	4.71	12.17	43.96	24.03	15.59	4.02	7.76	0.01	2.48	2.14
71	N	C	C	100.80	4.52	8.67	14.85	106.18	116.61	-89.70	67.74	80.11	4.65	15.24	52.21	14.48	13.31	6.92	8.31	0.01	2.63	2.13
72	K	C	C	142.91	2.99	9.85	14.39	102.10	112.28	-81.97	0.15	70.77	4.83	24.40	38.96	14.54	17.94	13.22	10.63	0.03	2.74	1.94
73	D	C	C	107.67	2.45	10.14	13.93	104.02	70.00	-89.46	37.93	69.84	4.61	25.56	35.27	15.79	19.71	13.90	10.90	0.04	2.69	1.70
74	N	C	C	99.99	4.59	8.48	14.81	108.03	106.56	-92.37	98.46	66.50	6.29	27.21	42.33	13.85	10.82	17.00	9.98	0.03	3.96	2.01
75	K	C	C	140.87	2.79	9.32	13.86	114.03	-154.39	-94.82	126.98	60.44	11.07	28.49	41.65	11.13	8.05	20.70	7.80	0.06	7.72	2.90
76	E	C	C	133.10	2.92	8.52	13.34	114.09	-141.01	-88.81	132.34	56.75	14.05	29.20	40.21	9.56	7.28	21.39	7.91	0.06	10.84	2.76
77	E	C	C	134.14	2.87	8.32	13.02	113.02	-139.28	-89.75	130.44	56.76	15.44	27.81	39.79	9.06	8.14	20.08	7.85	0.05	12.19	2.84
78	E	C	C	139.26	2.53	7.83	12.17	112.06	-138.89	-89.92	126.72	62.32	14.05	23.63	43.31	8.67	10.25	16.92	6.85	0.04	10.82	3.14
79	S	C	C	85.08	2.43	7.69	11.88	111.45	-149.79	-92.06	124.33	80.28	6.88	12.84	68.71	2.20	9.38	9.81	2.82	0.00	5.06	2.03
80	N	C	C	122.81	2.26	10.20	13.94	105.74	-145.16	-88.41	63.99	99.83	0.10	0.07	99.50	0.19	0.19	0.04	0.01	0.00	0.06	0.01