#	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	S	C	C	75.12	4.99	14.09	20.59	114.75	-155.63	-93.21	130.91	99.81	0.17	0.01	99.74	0.11	0.04	0.00	0.00	0.00	0.11	0.01
1	H	C	C	110.00	7.23	12.04	20.62	118.50	-161.97	-107.73	134.83	67.26	29.82	2.92	64.26	1.47	1.35	1.97	0.72	0.00	28.38	1.85
2	I	E	E	92.65	7.91	12.96	22.23	118.59	-151.98	-103.22	131.08	39.89	55.39	4.72	32.80	4.99	1.65	3.30	1.47	0.01	53.86	1.93
3	V	E	E	48.65	13.30	13.44	27.57	119.32	-161.61	-110.22	130.88	23.80	70.75	5.46	20.63	1.93	0.85	4.28	1.20	0.00	69.72	1.39
4	K	E	E	109.79	7.34	19.28	27.48	116.78	-149.08	-101.41	126.19	23.64	69.08	7.28	20.52	1.74	0.96	5.39	1.66	0.00	68.60	1.13
5	I	E	E	32.76	17.61	15.12	32.71	112.63	-163.20	-104.20	113.01	40.98	43.20	15.82	35.29	3.04	2.07	8.84	5.59	0.01	43.55	1.61
6	Y	H	G	75.30	14.64	16.79	30.94	103.34	-165.45	-87.03	-32.58	36.08	21.13	42.79	21.18	7.82	9.53	9.29	30.75	0.07	20.06	1.30
7	D	H	G	102.73	4.34	20.81	25.46	99.71	48.52	-87.37	-14.18	43.32	12.96	43.71	14.17	12.74	19.54	8.58	32.37	0.25	10.78	1.56
8	T	C	G	62.65	9.70	19.82	29.61	106.61	44.68	-108.34	15.73	47.68	12.43	39.89	20.17	12.52	18.00	7.55	29.96	0.17	9.60	2.04
9	C	C	C	15.33	22.22	13.62	35.19	115.01	132.88	-95.08	129.16	78.00	19.01	2.98	65.08	8.50	3.05	1.47	1.61	0.00	12.16	8.12
10	I	C	T	66.78	10.92	21.70	32.84	113.98	-149.98	-95.57	124.67	79.66	17.44	2.89	22.55	18.97	39.81	1.25	1.58	0.06	11.87	3.92
11	G	C	T	37.29	7.95	22.45	30.78	96.08	7.96	77.52	8.41	92.81	5.54	1.65	18.37	33.27	41.79	0.52	0.99	0.00	4.04	1.02
12	C	C	C	15.84	21.24	13.31	33.89	102.13	136.74	-83.42	22.63	92.39	1.70	5.91	83.96	6.87	1.51	5.25	0.74	0.00	0.63	1.04
13	T	H	H	75.62	6.32	21.01	28.11	94.21	136.92	-65.21	-36.43	26.57	0.67	72.76	12.82	10.01	6.04	69.08	1.37	0.04	0.18	0.46
14	Q	H	H	89.46	5.87	22.82	28.70	92.43	53.19	-66.58	-39.56	9.09	0.89	90.03	3.95	2.56	3.84	86.42	2.34	0.08	0.50	0.31
15	C	H	H	6.47	22.53	16.08	38.67	92.18	51.54	-65.16	-42.67	2.94	0.88	96.18	1.27	0.66	1.59	92.48	3.05	0.06	0.73	0.17
16	V	H	H	31.91	17.63	17.96	35.03	91.87	52.10	-64.73	-38.82	3.22	0.97	95.81	1.34	0.49	1.78	92.46	2.81	0.06	0.88	0.17
17	R	H	H	158.84	2.32	23.11	25.28	91.60	53.65	-67.23	-31.96	11.10	0.74	88.16	3.03	0.82	7.50	85.94	1.83	0.07	0.58	0.22
18	A	H	H	38.32	11.57	18.40	30.43	94.38	50.89	-79.61	-21.83	26.13	0.49	73.38	2.34	2.68	21.05	72.52	0.79	0.12	0.18	0.33
19	C	C	C	11.12	22.83	11.08	33.22	110.56	68.43	-106.05	110.96	97.25	1.44	1.31	61.62	34.37	1.18	1.32	0.18	0.00	0.60	0.72
20	P	C	C	87.27	4.57	20.54	25.97	94.53	-166.63	-69.12	-16.74	85.46	2.01	12.53	41.49	22.60	20.94	7.88	5.09	0.00	1.15	0.86
21	L	C	S	67.42	11.37	16.81	28.55	109.02	68.73	-96.89	23.01	73.21	5.35	21.45	16.44	34.90	23.04	12.89	7.42	0.13	3.41	1.75
22	D	C	C	81.06	8.93	20.86	29.96	101.02	-107.28	-63.98	71.24	72.04	8.98	18.97	55.93	8.38	7.47	9.97	9.07	0.01	7.83	1.34
23	V	C	C	21.86	20.25	17.47	36.89	100.27	164.25	-86.88	-23.71	42.93	20.19	36.88	30.25	7.82	6.10	16.84	19.00	0.04	18.22	1.72
24	L	H	E	27.86	20.73	17.73	37.26	110.04	66.84	-97.45	91.21	26.71	34.34	38.95	17.39	5.73	6.03	17.40	19.44	0.11	32.22	1.68
25	E	E	E	94.91	8.55	22.86	31.52	113.80	120.09	-93.94	128.76	28.48	36.26	35.26	18.79	6.23	5.96	14.08	18.66	0.07	34.75	1.46
26	M	E	E	62.71	15.67	17.74	32.77	110.30	-129.20	-90.33	113.30	36.65	39.58	23.78	23.59	8.97	6.98	11.95	11.30	0.20	33.93	3.08
27	V	C	C	34.58	14.56	15.12	30.49	119.80	72.49	-110.04	130.19	63.32	34.74	1.93	42.43	20.16	1.90	1.09	1.05	0.01	29.19	4.18
28	P	C	C	67.28	6.54	18.67	26.10	110.05	-113.34	-68.45	141.85	75.61	20.67	3.72	61.96	7.51	5.00	1.29	2.31	0.00	20.11	1.84
29	W	C	C	107.01	13.93	11.38	24.86	103.63	-142.23	-81.60	24.50	75.96	11.11	12.93	34.10	16.23	27.16	3.41	8.79	0.04	7.10	3.17
30	N	C	T	115.98	2.99	15.38	19.21	100.15	54.96	-88.30	33.14	83.91	4.14	11.95	18.90	18.85	46.55	2.97	8.57	0.02	2.68	1.46
31	G	C	T	50.30	3.88	14.42	19.35	103.96	-75.54	86.57	1.83	84.80	4.28	10.92	24.14	27.81	33.90	2.57	7.61	0.01	2.52	1.44
32	C	C	C	46.66	12.39	9.93	22.76	118.36	127.99	-91.51	141.30	79.89	12.67	7.44	57.20	14.96	7.03	4.28	3.48	0.02	7.38	5.66
33	K	C	C	114.64	3.78	17.35	21.53	117.17	-134.27	-88.22	148.15	69.23	14.61	16.16	49.03	12.01	7.29	12.15	5.09	0.06	8.80	5.58
34	A	H	H	56.25	10.92	11.98	23.43	95.10	-110.34	-60.82	-34.37	43.88	5.24	50.88	15.03	9.34	19.54	31.04	19.65	0.42	3.49	1.50
35	N	H	H	108.16	3.08	16.38	20.23	94.01	55.50	-69.48	-21.65	39.63	5.92	54.46	13.99	7.89	17.75	34.19	20.21	0.36	4.28	1.33
36	Q	H	H	86.83	7.17	16.19	24.31	95.70	60.08	-76.17	-26.91	33.51	9.68	56.81	18.59	6.67	9.09	36.77	19.63	0.19	7.31	1.77
37	M	H	H	41.28	17.66	12.08	28.79	96.13	61.44	-71.19	-30.86	31.49	15.37	53.14	18.33	6.21	8.42	36.65	15.44	0.32	11.77	2.85
38	A	H	H	59.90	8.19	16.52	25.46	96.16	63.43	-70.25	-24.35	43.18	11.89	44.93	17.80	7.90	17.84	30.85	13.61	0.40	9.25	2.35
39	S	C	T	78.64	3.32	18.78	22.43	98.88	52.94	-90.66	-1.34	59.06	6.76	34.18	17.78	12.95	28.71	21.17	12.48	0.36	4.38	2.16
40	A	C	S	30.67	16.11	12.51	28.55	118.17	106.30	-83.43	142.17	97.33	1.93	0.74	48.09	48.83	0.79	0.51	0.21	0.00	0.97	0.60
41	P	C	C	56.00	10.16	16.78	27.97	112.67	-104.67	-66.65	149.19	92.07	3.85	4.08	82.81	5.94	3.17	2.18	1.78	0.00	2.13	1.99
42	R	C	C	111.32	9.97	17.87	28.16	114.01	-118.90	-86.54	134.28	84.25	9.47	6.29	73.44	6.33	3.35	3.34	2.88	0.00	3.97	6.68
43	T	H	G	47.06	16.60	13.59	29.25	98.87	-144.17	-74.81	-28.09	47.66	4.32	48.02	31.35	8.47	9.06	10.27	36.94	0.00	2.72	1.18
44	E	H	G	132.07	3.82	18.80	23.55	94.01	71.28	-69.00	-23.56	35.55	3.76	60.69	12.28	8.61	16.99	12.42	46.18	0.03	2.67	0.82
45	D	H	G	86.37	6.35	18.88	25.85	98.01	51.66	-90.40	4.08	34.90	4.70	60.40	13.28	8.06	16.06	11.51	46.63	0.04	3.45	0.97
46	C	C	C	17.68	21.49	12.26	32.72	108.81	102.75	-86.87	103.58	56.40	15.96	27.64	40.83	8.18	7.77	9.70	17.95	0.06	11.30	4.20
47	V	C	T	64.00	9.97	21.00	31.27	113.00	146.41	-89.65	127.81	63.49	24.52	11.99	23.02	12.76	29.60	6.88	5.07	0.28	16.24	6.15
48	G	C	T	32.14	9.37	21.31	30.94	100.85	15.75	83.85	-2.41	75.66	15.06	9.28	19.64	20.62	36.99	4.23	4.65	0.11	10.24	3.52
49	C	C	C	17.08	20.68	13.25	33.23	100.18	126.09	-81.29	16.83	91.30	4.09	4.60	84.06	5.29	2.03	3.42	1.20	0.00	2.25	1.76
50	K	C	H	126.41	3.99	21.21	26.03	93.75	125.10	-62.17	-37.30	50.52	1.95	47.52	18.17	13.71	19.70	42.40	4.08	0.16	0.92	0.86
51	R	H	H	112.18	6.60	20.95	27.90	93.16	53.35	-67.64	-36.53	30.97	1.20	67.83	7.70	7.11	18.20	60.63	4.89	0.28	0.69	0.51
52	C	H	H	8.61	22.57	13.57	35.82	93.17	55.95	-66.85	-37.24	12.68	0.99	86.34	6.29	2.34	5.30	77.46	7.53	0.06	0.78	0.24
53	E	H	H	87.92	11.99	17.93	29.71	92.60	56.17	-65.09	-34.85	9.84	1.00	89.16	3.71	1.57	5.20	80.23	8.14	0.09	0.87	0.20
54	T	H	H	98.74	1.84	21.28	22.03	94.23	50.00	-73.75	-29.90	14.73	0.63	84.64	3.18	1.98	9.97	78.33	5.75	0.13	0.47	0.19
55	A	H	H	38.99	11.56	16.72	28.79	97.38	46.08	-85.87	-25.19	26.34	0.75	72.91	3.73	5.62	18.53	68.39	2.64	0.33	0.31	0.45
56	C	C	C	17.37	19.22	10.82	29.66	112.52	43.02	-117.00	96.52	98.33	0.88	0.78	57.83	39.69	0.86	0.64	0.15	0.00	0.27	0.56
57	P	C	C	82.56	5.09	16.92	23.24	96.46	-166.24	-67.34	-20.66	84.34	1.84	13.83	40.57	13.09	30.32	5.85	8.30	0.00	1.26	0.60
58	T	C	T	81.87	5.57	16.04	22.52	103.24	54.85	-94.21	-4.41	74.59	3.51	21.90	11.74	21.44	41.95	9.79	11.31	0.04	2.80	0.93
59	D	C	C	87.77	7.48	17.08	25.08	102.29	-72.02	-84.36	63.60	71.26	7.23	21.51	35.37	14.16	22.38	9.53	11.55	0.01	5.83	1.16
60	F	C	C	70.83	15.01	12.94	27.67	108.98	151.23	-88.48	107.11	61.24	20.25	18.51	50.30	6.74	4.38	11.60	6.42	0.00	18.49	2.06
61	L	C	E	77.48	11.14	15.71	27.00	107.07	137.55	-93.36	-2.06	46.04	36.40	17.56	33.28	8.27	4.76	11.98	5.23	0.03	34.66	1.79
62	S	E	E	60.75	6.60	18.69	26.10	124.98	12.57	-124.45	139.00	30.43	52.90	16.67	22.94	4.49	3.56	10.71	4.93	0.02	52.36	0.98
63	V	E	E	53.87	15.86	12.41	27.96	122.15	-169.60	-116.28	131.40	28.99	57.63	13.39	24.09	2.79	1.47	9.94	2.45	0.00	58.54	0.71
64	R	E	E	133.51	5.37	16.97	23.87	120.09	-164.01	-111.60	130.91	23.95	63.13	12.92	19.57	2.17	1.46	9.85	2.21	0.00	64.10	0.63
65	V	E	E	63.00	11.79	12.55	25.24	120.07	-159.61	-110.61	130.13	24.83	62.44	12.73	19.93	2.60	1.83	9.52	2.43	0.00	62.92	0.76
66	Y	E	E	123.91	5.97	13.43	21.14	116.30	-159.28	-105.16	125.39	35.87	52.43	11.70	28.03	4.54	3.10	8.90	2.51	0.01	51.63	1.28
67	L	C	C	101.06	6.13	10.87	18.72	113.87	-160.26	-97.68	126.05	59.73	29.21	11.06	30.48	13.01	17.12	7.68	2.97	0.02	27.34	1.38
68	G	C	T	52.87	2.79	11.82	15.71	112.98	-48.21	91.84	-155.58	82.63	9.74	7.62	27.38	24.05	31.27	5.22	2.48	0.00	8.65	0.95
69	S	C	C	87.56	2.34	10.98	14.45	109.88	-43.66	-94.06	105.15	84.02	7.93	8.05	36.77	25.46	21.98	4.61	3.54	0.00	6.47	1.18
70	E	C	C	135.33	3.51	9.74	15.15	113.24	-151.65	-94.97	127.60	75.47	14.51	10.03	43.19	19.97	12.47	5.63	4.44	0.01	12.26	2.03
71	S	C	C	75.99	3.85	10.06	15.85	120.05	-161.65	-106.73	141.94	70.95	19.62	9.44	50.76	12.58	7.44	5.32	4.05	0.01	17.71	2.12
72	T	C	C	93.13	4.48	9.45	16.02	119.84	-155.62	-111.83	135.76	62.69	25.78	11.54	47.03	9.78	5.75	6.81	4.49	0.03	23.33	2.78
73	R	C	C	157.82	3.25	10.30	15.57	119.08	-161.94	-108.64	136.93	59.70	26.92	13.37	41.25	10.80	7.74	7.61	5.33	0.04	24.86	2.35
74	S	C	C	79.48	3.79	9.56	15.38	118.14	-146.85	-100.29	137.89	63.87	23.00	13.13	44.31	10.13	9.60	6.64	5.98	0.02	21.29	2.03
75	M	C	C	129.04	3.81	9.11	14.71	112.22	-161.59	-98.15	116.81	68.20	19.83	11.97	34.53	13.77	20.87	5.79	5.73	0.04	17.17	2.11
76	G	C	C	52.95	2.98	9.88	14.38	113.49	-108.54	105.62	158.15	72.97	19.18	7.85	33.36	17.51	23.43	3.04	4.42	0.02	16.45	1.77
77	L	C	C	117.40	3.78	7.74	13.34	114.25	-129.73	-95.51	128.74	69.02	23.28	7.69	47.12	12.30	9.81	3.36	4.40	0.03	19.55	3.43
78	S	C	C	84.94	2.27	8.61	12.58	115.46	-162.16	-100.38	132.50	76.82	18.13	5.05	66.65	3.55	6.28	2.96	1.88	0.00	15.29	3.40
79	Y	C	C	153.63	4.94	10.16	16.65	107.77	-148.04	-89.81	92.31	99.60	0.36	0.04	99.46	0.16	0.09	0.02	0.00	0.00	0.24	0.03