#	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	119.32	4.25	10.90	17.08	117.42	-162.86	-102.78	130.92	99.60	0.38	0.02	99.58	0.12	0.04	0.01	0.00	0.00	0.22	0.04
1	F	C	C	141.59	3.79	8.05	13.80	115.34	-149.48	-95.40	131.97	76.67	17.92	5.41	73.01	1.38	2.55	3.28	1.67	0.00	14.75	3.36
2	R	C	C	169.82	2.06	8.29	12.10	116.90	-156.79	-99.71	131.92	65.09	26.98	7.93	49.45	9.04	6.48	3.97	4.03	0.01	23.37	3.65
3	R	C	C	169.90	2.26	7.86	12.02	116.37	-145.88	-97.25	131.51	63.28	27.54	9.18	47.22	9.45	6.86	4.25	4.76	0.01	24.69	2.75
4	T	C	C	96.81	3.13	7.70	12.83	116.75	-153.56	-104.44	137.36	68.76	23.27	7.96	52.75	10.03	5.75	4.07	3.94	0.01	20.64	2.82
5	F	C	C	158.37	2.13	8.11	12.04	113.83	-155.26	-99.28	126.15	76.47	16.16	7.37	52.68	16.61	7.18	4.14	3.36	0.02	13.58	2.43
6	F	C	C	155.66	2.31	8.15	12.20	114.06	-152.52	-98.79	127.46	82.01	10.23	7.77	57.46	18.29	6.05	5.17	2.84	0.01	8.04	2.14
7	T	C	C	96.14	2.89	8.45	13.31	118.35	-154.20	-104.21	135.37	75.56	7.15	17.29	59.03	10.87	5.59	10.29	7.10	0.00	5.57	1.55
8	P	C	C	102.59	3.06	8.43	13.41	111.39	-119.56	-78.01	140.37	63.53	8.10	28.37	42.70	9.03	12.10	12.50	15.56	0.01	6.66	1.42
9	M	C	C	138.04	2.43	8.42	12.67	112.60	-141.82	-94.97	129.54	51.82	17.51	30.66	31.38	9.42	12.56	13.67	16.11	0.10	14.22	2.55
10	I	C	C	124.76	2.82	8.20	12.87	113.79	-154.99	-98.28	127.77	53.13	21.99	24.88	29.56	11.27	13.93	12.81	11.74	0.34	16.46	3.89
11	A	C	C	78.30	3.60	8.61	14.08	114.93	-155.42	-97.00	134.73	68.50	18.88	12.62	38.33	16.31	15.06	6.21	6.04	0.13	14.72	3.19
12	Q	C	C	128.40	2.74	10.55	15.08	117.42	-141.55	-102.63	130.79	83.12	15.76	1.12	55.47	26.74	1.71	0.51	0.59	0.01	12.78	2.19
13	P	C	C	91.37	5.56	9.62	16.96	113.77	-111.20	-70.15	144.51	78.62	18.11	3.27	66.87	7.96	2.82	1.71	1.50	0.00	16.46	2.68
14	T	C	C	93.45	4.30	11.29	17.30	116.46	-146.96	-101.86	133.18	69.31	25.42	5.27	54.80	10.18	3.49	2.92	2.55	0.01	21.86	4.19
15	L	C	C	109.03	5.60	11.31	18.58	116.58	-141.67	-95.68	132.08	58.25	33.54	8.20	46.39	8.40	3.12	4.57	3.70	0.02	30.57	3.22
16	L	C	C	99.77	6.54	11.74	19.82	116.73	-148.88	-97.75	131.06	52.33	37.45	10.22	41.85	6.65	3.83	5.22	4.88	0.03	34.47	3.07
17	M	C	C	110.93	6.24	11.96	19.70	115.30	-146.10	-97.25	128.02	51.50	40.10	8.41	40.91	6.12	4.13	4.28	4.42	0.04	35.52	4.57
18	L	C	C	97.70	6.99	11.51	19.96	115.46	-158.51	-100.08	128.83	60.99	33.54	5.47	39.88	11.84	10.40	2.28	3.32	0.05	27.44	4.79
19	G	C	C	42.79	5.95	12.56	19.77	121.73	-108.82	120.88	172.00	79.23	17.45	3.33	34.94	27.14	19.08	0.73	2.47	0.01	13.24	2.37
20	N	C	C	111.80	4.01	12.53	17.89	111.45	-88.00	-97.31	124.07	84.77	11.06	4.17	48.14	23.61	13.72	1.02	3.18	0.01	7.45	2.87
21	K	C	C	143.05	4.06	11.25	16.81	106.48	-145.81	-88.84	47.31	85.57	9.23	5.21	38.89	21.22	26.62	1.19	3.79	0.01	5.42	2.84
22	G	C	C	50.44	4.39	11.32	17.15	111.05	44.43	-76.84	47.91	91.15	5.76	3.10	40.62	23.66	27.48	0.58	2.51	0.00	3.55	1.60
23	G	C	C	45.98	4.20	11.99	17.69	118.79	93.70	110.45	174.93	89.45	8.91	1.64	51.43	30.92	7.34	0.41	1.36	0.00	5.12	3.42
24	T	C	C	93.07	3.84	12.09	17.67	117.98	-72.14	-99.81	134.84	89.13	10.20	0.67	59.87	28.66	1.15	0.31	0.39	0.00	5.95	3.66
25	P	C	C	75.19	8.08	9.73	19.21	113.43	-108.96	-66.75	147.14	85.21	9.66	5.13	71.64	8.33	4.68	2.35	2.82	0.00	6.96	3.22
26	K	C	C	143.62	3.02	11.45	16.18	113.15	-130.98	-88.34	134.66	75.95	13.02	11.04	57.00	10.70	7.40	5.17	6.10	0.02	8.53	5.09
27	R	C	C	152.71	4.47	9.38	15.75	113.74	-129.11	-88.43	131.77	74.04	13.01	12.95	54.35	10.78	8.28	5.62	7.58	0.02	8.72	4.65
28	K	C	C	135.98	3.83	10.41	16.04	114.16	-146.31	-92.92	132.07	80.89	7.96	11.16	53.39	14.10	13.43	4.96	6.13	0.01	5.39	2.58
29	K	C	C	138.19	3.63	10.94	16.30	112.83	-137.83	-88.12	133.81	85.32	5.12	9.56	45.17	27.41	13.23	4.68	4.44	0.02	2.87	2.17
30	N	C	C	77.12	5.25	11.01	18.05	112.81	-115.24	-98.74	120.96	96.20	1.21	2.59	80.75	14.03	1.37	2.14	0.50	0.00	0.56	0.65
31	P	H	H	80.89	5.94	11.05	18.79	94.05	-145.60	-62.86	-27.44	44.99	1.08	53.92	19.34	5.36	19.49	38.58	16.09	0.03	0.71	0.39
32	M	H	H	113.07	3.50	12.55	17.31	93.79	60.79	-69.76	-27.32	37.27	2.90	59.83	13.94	5.97	16.94	41.35	18.73	0.16	2.13	0.77
33	Q	H	H	91.93	5.01	12.55	18.97	95.89	58.37	-72.72	-29.28	30.32	6.86	62.82	17.89	5.77	7.76	43.18	18.66	0.09	5.45	1.19
34	L	H	H	78.29	7.36	11.78	20.43	97.08	61.29	-73.89	-27.24	35.26	9.15	55.59	24.57	6.08	6.36	45.86	8.06	0.09	7.40	1.58
35	R	H	H	128.06	5.41	13.09	19.75	99.82	60.86	-78.35	-15.21	35.92	10.74	53.34	24.25	6.02	7.32	46.56	5.25	0.10	8.57	1.94
36	R	H	H	133.55	5.19	13.15	19.68	101.57	72.54	-79.54	-0.58	40.82	7.34	51.83	23.45	7.37	11.06	45.18	5.65	0.10	5.84	1.35
37	K	H	H	120.75	5.58	14.01	20.75	103.84	59.75	-83.44	7.58	44.98	6.92	48.10	22.66	8.36	14.57	41.32	6.14	0.11	5.60	1.24
38	V	C	H	75.12	8.04	13.49	22.57	109.34	75.92	-96.50	72.21	44.82	11.35	43.83	20.55	9.08	16.21	37.11	5.95	0.26	8.78	2.07
39	Y	C	T	121.88	7.90	15.35	24.02	111.07	-116.03	-95.48	105.53	59.71	11.53	28.76	20.94	11.77	26.76	23.85	5.61	0.27	8.64	2.16
40	G	C	C	28.35	10.18	16.35	27.17	115.69	-35.38	100.57	4.18	73.15	16.75	10.10	29.56	15.44	29.28	6.31	3.45	0.07	14.26	1.62
41	L	C	C	63.70	11.89	16.73	29.15	118.99	-78.04	-102.88	134.27	55.03	36.99	7.98	40.13	9.11	5.64	5.73	2.78	0.07	32.33	4.22
42	H	E	E	75.58	11.60	18.56	30.57	119.80	-161.62	-107.37	131.75	44.87	47.96	7.17	32.23	8.50	4.37	5.70	2.42	0.12	40.61	6.06
43	F	C	C	47.44	16.41	14.80	31.18	120.08	-157.29	-104.42	136.06	54.72	38.76	6.53	43.30	7.35	2.91	5.08	2.08	0.06	34.34	4.88
44	K	C	C	93.49	7.66	18.09	26.45	110.84	-124.04	-79.14	133.49	70.92	18.22	10.86	57.30	8.29	3.97	9.07	2.59	0.01	16.43	2.35
45	E	H	H	97.26	9.37	14.08	24.17	96.47	-125.34	-64.90	-30.41	36.67	4.49	58.84	17.03	8.19	11.90	30.13	28.51	0.13	3.10	1.00
46	K	H	H	125.58	3.62	16.87	21.10	95.08	61.05	-68.93	-31.09	29.75	4.47	65.78	10.99	6.12	12.51	34.10	31.89	0.24	3.26	0.90
47	Y	H	H	78.65	10.97	13.49	25.38	97.63	52.55	-79.44	-20.01	25.97	6.17	67.85	12.18	5.12	9.03	34.34	33.41	0.14	4.72	1.06
48	L	H	H	52.85	13.49	11.44	25.10	100.10	60.45	-80.54	-16.93	40.40	11.85	47.76	24.35	8.30	9.11	33.01	13.92	0.21	8.31	2.78
49	K	C	C	124.44	4.44	14.17	19.80	101.18	69.67	-79.43	-5.27	53.91	12.29	33.80	30.19	8.95	15.20	25.99	7.73	0.24	8.36	3.34
50	M	C	C	112.18	5.45	12.51	19.25	100.97	63.55	-83.48	-5.83	66.73	5.81	27.46	28.09	17.50	21.84	20.13	6.94	0.16	3.45	1.90
51	E	C	S	106.91	6.57	13.68	21.30	109.23	90.85	-89.59	107.09	75.26	4.54	20.20	25.18	27.57	23.38	12.47	7.05	0.09	2.80	1.46
52	E	C	C	113.08	6.43	16.03	23.32	105.83	-99.58	-77.49	88.48	74.78	10.17	15.05	33.28	21.75	21.05	7.01	7.25	0.07	7.78	1.80
53	W	C	C	79.79	13.51	15.03	28.91	124.05	114.10	-112.43	143.49	57.53	31.73	10.74	38.76	10.64	8.79	4.96	5.77	0.05	27.24	3.80
54	Y	E	E	62.26	14.02	18.44	32.87	119.72	-159.35	-109.86	134.51	39.11	53.86	7.03	25.74	8.19	6.16	3.62	3.77	0.12	45.41	6.99
55	Y	E	E	75.51	12.78	20.33	33.34	121.08	-155.37	-111.20	134.40	41.14	55.12	3.74	26.48	10.39	4.39	2.11	2.09	0.13	44.72	9.69
56	C	C	C	14.89	18.53	15.40	34.34	115.10	-148.33	-101.07	120.90	80.92	18.38	0.70	65.95	12.78	1.72	0.26	0.47	0.00	15.94	2.88
57	P	C	T	60.63	8.56	19.69	29.59	93.46	-146.95	-65.78	-23.09	89.97	3.13	6.90	11.89	17.15	61.17	1.09	5.66	0.00	2.22	0.81
58	L	C	T	74.45	9.94	17.99	28.22	96.93	50.17	-82.95	-24.46	90.36	2.83	6.80	6.23	15.77	68.60	1.02	5.55	0.00	1.93	0.90
59	C	C	T	35.82	13.85	14.25	28.46	110.96	39.28	-107.82	65.98	75.52	16.00	8.48	18.35	18.66	39.86	1.49	6.92	0.08	9.69	4.95
60	A	C	C	55.53	9.01	15.69	25.39	99.85	-157.20	-79.82	-8.28	77.40	18.48	4.12	40.12	28.22	9.43	1.37	2.82	0.02	11.36	6.67
61	E	C	S	107.03	4.67	17.56	23.19	121.31	72.05	-105.65	138.91	87.51	11.68	0.81	33.83	50.50	3.60	0.19	0.63	0.00	9.04	2.21
62	P	C	C	68.94	9.78	14.59	25.28	113.66	-103.21	-66.64	145.25	90.06	9.09	0.85	75.26	11.60	2.88	0.21	0.71	0.00	6.70	2.63
63	K	C	C	81.82	13.36	10.97	24.28	116.39	-131.60	-87.93	141.46	74.31	25.30	0.40	63.37	7.79	0.59	0.18	0.20	0.00	5.70	22.16
64	K	C	C	128.82	2.88	15.88	19.51	118.93	-112.63	-86.39	145.45	97.23	2.66	0.11	93.06	3.97	0.30	0.04	0.05	0.00	1.19	1.38
65	P	C	T	107.13	3.47	11.82	17.30	110.10	-88.68	-60.09	135.67	99.14	0.39	0.47	1.32	3.88	94.06	0.05	0.34	0.00	0.23	0.13
66	G	C	T	56.02	2.38	14.89	17.75	95.90	19.19	85.96	-4.32	99.39	0.30	0.31	1.88	3.98	93.58	0.03	0.26	0.00	0.23	0.04
67	E	C	C	89.13	6.80	14.46	22.93	121.34	112.45	-96.98	144.31	76.12	23.50	0.38	66.67	8.31	0.93	0.11	0.35	0.00	20.14	3.49
68	W	E	C	109.47	11.04	16.15	27.92	122.21	-141.75	-105.18	141.06	49.20	50.55	0.25	45.32	3.13	0.47	0.13	0.16	0.00	43.20	7.59
69	C	C	C	14.74	17.88	13.81	32.27	125.65	-152.42	-113.76	148.87	56.23	43.55	0.22	51.32	4.30	0.25	0.13	0.13	0.00	38.71	5.15
70	R	C	C	106.28	5.23	21.86	26.99	119.15	-113.09	-78.03	154.51	75.10	24.46	0.44	72.28	2.84	0.18	0.31	0.15	0.00	18.93	5.31
71	R	H	H	105.48	12.44	13.38	26.23	91.80	-111.42	-57.83	-38.88	10.34	0.74	88.92	2.57	2.13	5.68	72.59	16.22	0.11	0.48	0.23
72	E	H	H	122.69	1.74	18.86	19.62	91.89	55.11	-64.42	-37.57	8.85	1.14	90.01	1.96	1.42	5.50	71.40	18.47	0.11	0.95	0.20
73	D	H	H	52.50	7.55	16.01	25.14	92.28	50.59	-68.42	-35.92	6.86	1.01	92.14	1.99	0.96	3.87	73.57	18.52	0.06	0.87	0.16
74	C	H	H	13.01	19.42	10.43	29.39	93.77	53.68	-69.71	-31.65	13.91	1.62	84.47	5.62	2.22	6.71	71.65	11.90	0.19	1.13	0.58
75	R	C	H	130.91	5.79	15.81	22.89	92.79	64.37	-68.27	-24.46	49.78	2.21	48.01	10.45	5.71	32.56	41.83	6.97	0.16	1.53	0.79
76	Q	C	T	124.52	2.39	16.01	18.51	95.04	60.64	-80.34	-12.31	64.06	2.63	33.31	11.12	7.13	44.11	29.11	5.81	0.09	1.70	0.92
77	I	C	C	67.84	12.06	9.57	21.84	107.33	80.31	-86.09	76.08	76.72	7.91	15.38	46.36	19.47	10.91	12.35	2.76	0.06	3.19	4.89
78	K	C	C	135.91	3.51	12.13	17.52	117.01	-141.77	-99.06	130.79	96.65	2.98	0.37	95.26	1.00	0.77	0.19	0.11	0.00	1.53	1.14
79	P	C	C	89.01	5.35	12.98	19.98	110.43	-102.86	-66.57	145.98	99.81	0.14	0.04	99.45	0.27	0.14	0.02	0.01	0.00	0.08	0.03