#	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	86.66	10.98	9.98	21.42	115.97	-139.31	-85.76	141.84	99.83	0.13	0.04	99.74	0.11	0.05	0.02	0.00	0.00	0.05	0.03
1	K	C	C	137.06	2.76	11.29	15.56	115.08	-122.88	-81.81	140.72	93.93	2.90	3.18	91.44	0.99	2.14	1.48	0.88	0.00	0.95	2.12
2	Q	C	T	150.29	1.42	10.18	12.99	109.87	-98.59	-65.39	133.84	88.54	2.07	9.39	10.42	11.53	66.20	1.86	7.51	0.01	1.12	1.35
3	G	C	T	62.07	1.14	12.14	13.45	96.90	18.36	82.27	-2.35	91.50	0.86	7.64	8.54	12.61	70.01	1.03	6.88	0.00	0.52	0.41
4	I	C	C	86.59	6.82	10.38	18.77	102.24	93.92	-88.61	-16.92	81.33	10.06	8.61	37.41	27.54	16.51	1.97	6.35	0.04	4.15	6.03
5	H	C	C	80.36	10.29	10.12	21.37	118.18	61.77	-105.63	129.52	92.65	6.33	1.02	63.12	27.05	2.61	0.26	0.87	0.00	3.59	2.49
6	P	C	C	66.74	7.20	13.27	22.10	114.18	-115.16	-68.92	152.81	94.20	3.19	2.61	43.47	14.93	35.39	0.22	3.09	0.00	2.38	0.52
7	E	C	T	132.52	3.39	16.43	20.75	108.58	-105.66	-79.23	111.24	85.79	11.13	3.08	34.31	16.56	34.64	0.21	3.61	0.00	9.90	0.78
8	Y	C	C	84.92	14.05	11.16	25.10	125.14	39.35	-114.57	145.68	53.11	46.32	0.56	44.91	6.91	0.98	0.11	0.53	0.00	43.86	2.71
9	H	E	E	85.47	8.11	17.08	26.31	125.15	-161.45	-120.06	143.68	29.85	70.08	0.07	26.34	2.78	0.21	0.01	0.06	0.00	69.86	0.74
10	Q	E	E	94.61	8.28	18.47	27.44	114.42	-114.28	-78.75	134.88	17.34	82.65	0.01	15.45	1.11	0.05	0.00	0.01	0.00	83.19	0.18
11	V	E	E	20.39	17.22	14.81	32.73	128.72	-171.64	-127.03	146.99	3.32	96.68	0.00	3.11	0.08	0.00	0.00	0.00	0.00	96.77	0.04
12	I	E	E	48.93	9.84	21.00	32.31	117.39	-139.93	-104.64	128.50	0.45	99.55	0.00	0.43	0.00	0.00	0.00	0.00	0.00	99.56	0.00
13	F	E	E	30.10	17.06	17.51	35.17	123.42	-168.01	-115.45	136.39	0.12	99.88	0.00	0.11	0.00	0.00	0.00	0.00	0.00	99.89	0.00
14	L	E	E	54.01	9.29	19.38	30.17	118.72	-155.52	-111.81	127.76	0.56	99.44	0.00	0.53	0.02	0.00	0.00	0.00	0.00	99.42	0.03
15	D	E	E	24.39	12.87	12.79	27.70	109.25	-137.84	-85.54	117.57	26.79	73.18	0.03	25.32	0.76	0.10	0.00	0.02	0.00	73.31	0.49
16	T	C	T	81.42	5.60	14.64	22.06	93.45	-158.54	-71.49	-24.35	98.90	0.17	0.94	0.38	4.42	94.08	0.02	0.96	0.00	0.11	0.03
17	T	C	T	99.54	2.15	14.62	16.87	97.90	49.60	-78.41	-38.95	98.96	0.07	0.97	0.20	3.72	95.05	0.01	0.96	0.00	0.03	0.02
18	T	C	T	72.58	4.33	12.77	18.41	102.00	21.96	-106.14	-11.76	99.01	0.17	0.82	1.13	5.62	92.17	0.03	0.91	0.00	0.11	0.03
19	N	C	C	112.57	3.65	13.59	19.07	94.39	-126.72	65.11	24.54	98.51	1.26	0.23	71.38	6.05	21.06	0.04	0.20	0.00	1.02	0.25
20	F	C	C	85.11	7.69	13.19	22.86	118.53	149.96	-81.54	142.45	76.05	23.91	0.03	74.72	1.08	0.11	0.00	0.03	0.00	23.67	0.39
21	K	E	E	109.09	9.42	15.25	26.21	126.09	-163.04	-123.45	139.63	0.84	99.16	0.00	0.79	0.05	0.00	0.00	0.00	0.00	99.11	0.05
22	F	E	E	68.23	11.96	16.89	29.85	130.27	-174.60	-132.44	143.53	0.09	99.91	0.00	0.09	0.00	0.00	0.00	0.00	0.00	99.90	0.00
23	L	E	E	80.05	10.21	18.01	28.86	115.70	-126.85	-90.00	129.60	0.31	99.69	0.00	0.28	0.00	0.00	0.00	0.00	0.00	99.71	0.00
24	S	E	E	35.27	13.70	16.15	30.07	126.03	-164.08	-116.30	152.25	7.04	92.95	0.01	5.67	0.80	0.06	0.00	0.01	0.00	93.39	0.07
25	G	E	E	30.66	7.93	20.76	29.30	127.72	-25.82	114.96	-4.17	15.59	84.38	0.03	10.15	5.14	0.34	0.00	0.03	0.00	84.07	0.26
26	S	E	E	33.22	15.71	14.24	29.58	124.20	-126.99	-110.27	155.41	26.04	73.87	0.10	22.84	2.47	0.26	0.02	0.09	0.00	72.41	1.91
27	T	C	C	71.39	8.24	16.95	26.12	104.08	-144.25	-94.54	-0.87	71.77	27.90	0.33	39.15	31.88	2.07	0.07	0.31	0.00	24.47	2.05
28	K	C	S	104.87	7.90	14.84	23.78	119.50	83.72	-98.80	138.77	84.41	14.93	0.65	25.97	53.87	4.88	0.11	0.57	0.00	12.73	1.87
29	T	C	C	100.13	3.52	15.47	20.40	113.77	-123.87	-91.64	132.07	91.15	8.22	0.64	67.90	18.06	4.95	0.11	0.70	0.00	6.83	1.47
30	S	C	C	40.67	11.69	9.61	21.87	125.19	-147.53	-115.88	153.44	89.38	9.15	1.47	66.84	16.67	5.69	0.28	1.44	0.00	6.53	2.56
31	S	C	C	91.97	1.87	15.48	17.67	98.76	-140.97	-92.27	5.07	88.96	9.97	1.07	56.42	26.97	5.67	0.14	1.10	0.00	8.69	1.01
32	E	C	C	95.03	6.70	12.77	21.09	119.43	104.98	-91.43	146.21	72.78	26.36	0.86	47.26	21.99	3.10	0.09	0.88	0.00	25.88	0.79
33	M	E	E	99.24	7.40	13.09	22.12	123.52	-153.70	-113.45	140.04	20.58	79.31	0.11	18.58	1.39	0.17	0.02	0.08	0.00	79.27	0.49
34	M	E	E	57.64	10.37	11.70	23.82	124.20	-160.88	-118.70	142.78	2.19	97.80	0.01	2.03	0.11	0.01	0.00	0.00	0.00	97.76	0.09
35	E	E	E	125.99	3.14	13.43	18.10	116.42	-134.96	-99.66	129.83	1.72	98.27	0.01	1.71	0.05	0.00	0.00	0.00	0.00	97.36	0.87
36	W	C	C	81.09	9.54	7.36	18.06	122.09	-143.90	-86.04	166.00	85.86	14.08	0.06	85.83	0.45	0.10	0.01	0.03	0.00	12.58	1.00
37	E	C	T	163.92	1.02	9.77	11.35	91.71	-97.91	-62.36	-26.40	96.79	2.20	1.01	0.97	3.84	92.24	0.03	0.96	0.00	1.76	0.20
38	D	C	T	118.95	0.85	9.77	10.65	92.94	54.85	-86.64	3.24	98.96	0.13	0.91	0.38	3.02	95.56	0.01	0.93	0.00	0.07	0.02
39	G	C	S	53.33	1.82	10.58	13.52	97.52	-101.61	87.33	5.59	98.69	0.36	0.95	10.49	83.89	4.45	0.06	0.79	0.00	0.19	0.13
40	K	C	C	105.82	3.76	10.51	16.39	118.60	134.35	-82.12	145.52	96.60	3.37	0.02	94.64	2.03	0.15	0.00	0.01	0.00	2.86	0.30
41	E	E	E	116.82	4.97	13.07	20.04	117.92	-132.54	-100.28	133.50	1.25	98.74	0.00	1.25	0.06	0.00	0.00	0.00	0.00	97.28	1.40
42	Y	E	E	59.45	13.02	12.21	26.34	124.36	-173.01	-122.08	138.42	2.29	97.71	0.00	2.18	0.07	0.00	0.00	0.00	0.00	97.69	0.06
43	P	E	E	53.16	7.81	17.71	26.74	115.06	-108.98	-68.63	146.15	8.97	91.02	0.01	8.37	0.37	0.03	0.00	0.01	0.00	91.05	0.18
44	V	E	E	49.85	13.18	15.07	29.07	119.09	-142.66	-106.63	132.12	19.21	80.74	0.05	16.04	2.54	0.15	0.01	0.03	0.00	80.80	0.43
45	I	E	E	47.15	12.98	15.52	29.77	118.87	-158.52	-109.84	129.12	5.14	94.84	0.02	4.84	0.23	0.02	0.01	0.01	0.00	94.56	0.34
46	R	E	E	130.07	6.65	19.17	27.12	116.45	-151.55	-101.30	126.09	4.20	95.77	0.02	4.04	0.13	0.02	0.01	0.01	0.00	95.47	0.33
47	L	E	E	41.38	16.50	12.69	29.27	121.83	-170.95	-116.97	134.14	15.87	84.08	0.05	15.68	0.39	0.04	0.02	0.02	0.00	83.30	0.54
48	D	E	E	88.18	4.59	20.09	25.27	111.69	-140.74	-89.88	122.22	37.59	62.27	0.14	27.10	10.16	0.60	0.03	0.11	0.00	61.03	0.96
49	I	C	C	47.67	15.93	12.47	28.33	123.58	-166.67	-119.28	140.37	61.77	37.92	0.31	50.76	10.17	0.59	0.12	0.24	0.00	33.91	4.22
50	S	C	C	41.68	6.32	18.07	25.38	126.76	-155.06	-109.27	163.21	86.31	13.34	0.34	83.91	2.46	0.38	0.13	0.20	0.00	9.72	3.20
51	S	C	T	64.48	8.86	13.36	23.36	91.55	-108.92	-61.79	-28.35	64.81	0.58	34.61	2.96	6.46	53.24	1.57	35.21	0.00	0.34	0.22
52	D	C	T	110.95	2.20	17.63	20.00	92.28	63.28	-74.36	-17.13	68.05	0.22	31.73	1.09	4.32	61.18	1.17	32.03	0.00	0.12	0.08
53	S	C	T	38.85	10.61	13.79	25.60	98.87	49.26	-98.76	-0.85	61.50	1.71	36.80	8.26	12.44	40.10	1.94	35.57	0.01	0.85	0.84
54	H	C	C	43.87	13.23	12.30	26.61	116.10	103.86	-80.60	139.85	96.87	1.56	1.57	66.04	29.56	0.76	1.26	0.31	0.00	0.33	1.74
55	P	H	T	63.78	6.63	15.89	24.27	92.31	-128.21	-62.35	-30.45	43.16	0.19	56.66	1.57	2.83	37.32	28.04	29.90	0.05	0.09	0.20
56	F	H	T	88.53	8.63	13.93	23.76	93.23	56.47	-69.86	-31.63	40.73	0.34	58.93	1.34	2.65	34.93	29.04	31.38	0.15	0.18	0.33
57	Y	H	G	107.43	7.97	12.87	21.98	94.30	53.30	-72.28	-29.93	37.10	1.24	61.65	3.21	4.92	26.28	28.84	34.71	0.48	0.70	0.87
58	T	C	T	79.93	3.57	13.30	17.95	97.36	42.84	-93.79	-7.45	57.68	2.09	40.22	5.61	10.67	39.79	23.76	16.91	0.54	1.02	1.70
59	G	C	T	51.50	3.98	11.54	17.23	96.93	-110.99	78.20	6.35	89.59	1.14	9.28	14.63	24.79	50.61	4.15	4.57	0.01	0.53	0.72
60	R	C	C	173.71	1.34	13.42	14.80	98.22	108.11	-85.99	-14.70	89.33	2.21	8.45	44.75	28.03	16.54	3.42	4.97	0.00	1.03	1.24
61	Q	C	C	92.20	7.42	10.29	19.17	119.10	70.86	-108.29	137.03	85.95	4.30	9.75	60.99	18.14	6.52	4.88	5.06	0.00	2.31	2.10
62	K	C	C	140.55	3.28	13.65	18.48	117.00	-157.01	-100.69	135.47	83.30	6.48	10.21	69.18	9.42	4.18	6.26	4.28	0.00	4.01	2.67
63	F	C	C	100.99	10.28	10.23	20.97	109.97	-131.63	-82.95	126.52	69.05	12.59	18.36	53.22	9.22	5.64	12.02	6.97	0.02	8.03	4.87
64	A	C	C	71.76	4.42	12.85	18.53	101.34	65.43	-80.06	-17.68	67.46	8.83	23.71	40.38	16.14	11.28	14.72	8.92	0.05	6.07	2.45
65	A	C	C	70.56	4.53	12.08	17.97	106.03	59.21	-87.24	49.92	68.20	6.75	25.06	40.36	14.51	13.49	15.85	9.25	0.03	4.45	2.05
66	A	C	C	59.66	7.27	9.95	18.56	104.39	89.16	-81.33	25.72	66.03	3.35	30.62	30.63	18.77	17.42	23.07	6.88	0.07	1.90	1.27
67	D	C	T	108.70	2.56	13.13	16.53	102.85	43.63	-82.71	25.94	67.16	0.82	32.02	13.05	20.23	33.67	27.39	4.76	0.06	0.34	0.50
68	G	C	H	42.58	4.31	13.70	19.17	100.64	-64.90	72.97	-16.64	60.76	1.15	38.08	15.98	21.73	23.11	34.48	3.54	0.08	0.46	0.64
69	R	H	H	115.02	5.87	14.97	21.81	95.15	84.81	-68.53	-37.66	13.29	0.77	85.94	7.37	3.04	4.00	83.39	1.52	0.03	0.41	0.23
70	V	H	H	46.26	10.85	12.87	24.71	92.89	52.21	-65.87	-41.73	4.56	0.42	95.02	2.29	0.77	1.83	93.74	0.99	0.02	0.30	0.06
71	E	H	H	103.48	2.76	17.06	19.98	92.13	51.14	-64.79	-40.56	2.98	0.39	96.64	1.55	0.43	1.26	95.27	1.10	0.01	0.35	0.04
72	R	H	H	124.99	2.15	17.33	19.00	92.18	50.34	-65.28	-40.90	2.84	0.33	96.83	1.17	0.43	1.44	95.45	1.16	0.02	0.29	0.04
73	F	H	H	53.75	8.99	13.48	24.31	92.14	50.14	-64.77	-41.70	3.08	0.34	96.57	1.15	0.48	1.67	95.19	1.16	0.02	0.28	0.04
74	N	H	H	61.46	8.14	13.04	22.72	92.09	51.38	-64.05	-40.37	3.70	0.22	96.09	1.35	0.48	2.01	94.55	1.39	0.01	0.17	0.03
75	K	H	H	145.93	1.28	15.64	16.34	92.36	50.17	-66.01	-38.97	4.86	0.12	95.03	0.92	0.47	3.49	92.56	2.44	0.02	0.09	0.02
76	K	H	H	132.07	2.48	14.46	17.57	93.56	49.29	-69.99	-35.16	9.12	0.10	90.78	0.88	0.72	7.34	88.97	1.97	0.03	0.05	0.03
77	F	H	H	92.13	8.40	11.79	21.45	98.75	38.91	-96.52	-1.17	39.73	0.38	59.89	2.76	4.14	32.13	58.16	2.30	0.12	0.15	0.24
78	G	C	T	47.09	3.39	15.49	19.56	99.97	-115.21	73.15	22.93	90.14	0.64	9.21	21.28	7.75	61.42	6.78	2.14	0.00	0.33	0.30
79	L	C	C	68.18	10.44	9.25	20.47	110.36	148.42	-86.92	108.16	79.05	2.81	18.14	54.33	11.19	13.06	8.10	10.34	0.00	1.47	1.51
80	K	C	C	139.02	2.97	12.38	16.74	109.91	-157.15	-95.20	116.83	77.12	2.81	20.07	41.21	17.60	18.69	6.77	12.88	0.01	1.38	1.46
81	S	C	C	76.90	4.27	9.61	15.53	108.70	-113.53	-87.66	103.80	82.08	1.81	16.11	38.68	24.13	19.73	4.02	11.61	0.00	0.86	0.95
82	N	C	C	119.12	2.67	9.63	14.00	105.42	152.90	-89.65	46.74	92.78	0.97	6.25	77.21	3.48	12.86	1.99	3.39	0.00	0.53	0.55
83	N	C	C	109.19	3.90	10.21	15.86	106.15	107.94	-87.53	70.43	99.94	0.04	0.02	99.77	0.12	0.07	0.01	0.00	0.00	0.02	0.01