#	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	103.12	7.11	12.60	20.99	117.27	-164.20	-103.13	131.82	99.51	0.47	0.02	99.45	0.16	0.05	0.01	0.00	0.00	0.30	0.04
1	N	C	C	119.09	2.73	12.92	16.97	112.11	-135.65	-89.53	121.89	87.02	12.40	0.58	85.40	1.34	0.90	0.28	0.19	0.00	8.28	3.61
2	L	C	C	81.37	9.55	8.95	19.47	117.66	-156.49	-97.99	132.03	82.07	15.70	2.23	69.36	10.09	2.03	1.43	0.91	0.00	13.32	2.86
3	P	C	C	73.59	5.70	13.80	20.95	113.36	-118.75	-71.89	144.90	76.88	16.31	6.80	61.57	9.41	5.42	3.47	3.09	0.01	15.54	1.50
4	W	C	E	135.62	8.60	11.83	21.53	117.37	-150.60	-106.49	136.02	44.41	43.15	12.43	26.72	11.88	7.46	7.32	5.07	0.15	38.63	2.75
5	F	E	E	110.40	6.82	13.11	21.38	119.10	-157.61	-109.43	135.70	27.92	61.49	10.59	19.71	5.18	4.01	7.29	3.56	0.12	57.69	2.44
6	V	E	E	72.73	8.53	10.96	20.96	119.80	-156.47	-108.44	132.99	24.90	66.20	8.90	18.54	3.72	3.06	6.21	2.84	0.07	63.67	1.89
7	R	E	E	136.91	4.76	11.63	18.11	116.32	-151.02	-101.78	130.31	31.31	61.99	6.71	22.75	4.54	4.14	4.46	2.43	0.05	59.57	2.06
8	W	C	T	172.57	4.35	9.82	15.87	110.15	-137.56	-84.18	114.64	63.04	30.02	6.94	23.48	11.08	28.92	3.63	2.98	0.10	28.02	1.80
9	G	C	T	57.28	2.01	11.69	14.51	105.35	-6.40	83.58	-10.59	87.31	6.06	6.63	23.30	17.54	46.79	3.77	2.54	0.01	5.21	0.83
10	T	C	T	93.22	3.32	10.24	15.02	112.10	65.24	-100.65	106.12	71.47	18.30	10.23	24.95	19.63	27.59	7.01	3.16	0.04	15.92	1.69
11	D	E	E	101.02	4.11	11.86	17.32	109.66	-130.84	-91.95	108.02	42.65	47.51	9.84	24.10	11.00	9.29	7.44	2.91	0.07	42.96	2.22
12	V	E	E	67.73	9.00	10.69	20.97	120.99	146.71	-111.84	136.79	25.57	65.31	9.11	19.26	3.45	2.38	8.10	2.02	0.02	62.84	1.93
13	A	E	E	52.57	7.67	14.29	23.37	119.53	-156.22	-107.08	135.73	19.30	68.92	11.77	14.19	2.50	2.12	10.56	2.16	0.01	67.28	1.19
14	L	E	E	73.75	10.13	13.69	24.77	117.18	-151.78	-102.78	129.82	17.38	66.25	16.36	11.98	2.68	2.59	13.87	3.10	0.02	64.71	1.05
15	F	E	E	92.01	9.43	14.77	25.09	117.34	-163.66	-106.88	134.25	22.90	61.05	16.05	14.49	4.75	4.51	12.29	3.90	0.05	58.74	1.26
16	F	E	E	101.92	8.54	15.61	24.98	117.39	-155.73	-105.59	128.86	29.44	53.96	16.60	18.09	6.84	5.62	12.96	4.20	0.12	50.28	1.89
17	I	C	E	60.53	10.69	13.51	25.33	117.88	-158.60	-106.15	129.55	45.34	38.57	16.09	31.64	9.26	3.53	13.96	3.00	0.08	36.35	2.17
18	P	C	C	62.33	6.77	15.26	23.46	108.28	-119.79	-69.09	135.78	50.23	25.54	24.23	37.74	5.66	5.36	18.78	5.62	0.04	24.94	1.86
19	A	H	H	59.65	7.51	12.90	21.39	97.86	-131.05	-70.90	-28.77	36.68	12.17	51.15	17.55	7.93	12.02	31.16	19.11	0.35	10.13	1.74
20	Y	H	H	140.41	4.24	13.24	18.52	99.19	57.77	-80.01	-17.65	33.65	14.46	51.89	14.57	7.38	12.67	31.27	19.79	0.52	11.71	2.10
21	T	H	H	69.37	6.52	11.92	19.79	100.95	60.04	-85.53	-16.67	36.81	15.26	47.93	18.10	7.89	11.99	28.60	18.64	0.39	11.95	2.44
22	F	C	H	112.50	6.94	11.00	19.12	100.19	69.20	-81.25	-9.30	45.65	14.77	39.57	22.92	9.72	14.10	24.72	14.26	0.42	10.47	3.38
23	A	C	T	72.36	4.13	11.70	17.20	100.41	75.64	-77.69	-3.49	66.53	6.90	26.57	18.07	13.00	35.62	16.57	9.88	0.24	4.81	1.81
24	N	C	T	112.13	3.08	12.80	17.04	104.51	53.75	-91.71	31.44	76.04	5.12	18.85	24.50	17.17	35.39	9.79	8.29	0.05	3.36	1.45
25	Y	C	C	108.02	8.15	10.09	19.63	116.18	121.44	-99.71	128.10	88.86	3.93	7.21	54.15	31.84	2.89	6.32	1.21	0.00	2.14	1.44
26	P	C	C	78.68	5.69	13.58	20.63	109.37	-109.95	-69.48	139.03	73.73	2.95	23.33	53.94	8.80	9.29	21.83	3.27	0.00	2.13	0.74
27	T	C	C	76.30	6.94	13.03	21.05	104.95	-119.12	-84.69	5.59	50.53	12.57	36.90	34.71	7.70	7.62	33.27	4.31	0.05	10.46	1.89
28	T	H	H	69.83	6.86	14.06	22.05	101.81	54.47	-81.31	-23.67	29.60	19.60	50.80	20.27	4.70	4.67	45.86	4.03	0.07	18.86	1.53
29	F	H	H	99.25	7.60	14.56	23.15	97.06	56.02	-70.69	-36.06	17.79	22.64	59.58	11.16	2.79	3.46	54.48	3.50	0.06	23.63	0.93
30	F	H	H	97.05	6.92	15.31	23.25	96.58	53.61	-70.46	-37.94	12.51	24.40	63.10	7.70	1.71	2.41	58.04	3.18	0.04	26.26	0.67
31	V	H	H	62.84	7.36	15.21	23.81	95.01	51.34	-68.82	-40.47	11.17	21.38	67.45	6.62	1.57	2.48	62.13	3.28	0.05	23.27	0.61
32	F	H	H	85.20	8.09	14.57	23.81	95.28	50.52	-71.39	-37.28	13.86	15.98	70.17	8.02	2.10	3.78	64.15	3.78	0.07	17.36	0.74
33	A	H	H	51.22	6.70	14.07	22.10	96.52	51.67	-71.25	-31.69	20.74	8.80	70.46	11.07	3.52	6.99	64.52	4.04	0.11	8.92	0.83
34	A	H	H	60.40	5.08	13.59	19.83	97.73	55.29	-78.32	-20.59	31.81	4.77	63.42	14.71	6.03	12.21	58.57	3.58	0.10	4.01	0.80
35	E	H	H	105.74	5.22	11.82	18.45	104.96	70.76	-83.46	55.81	42.50	3.71	53.79	21.92	8.34	13.21	49.28	3.70	0.06	2.66	0.82
36	K	H	H	126.52	4.05	10.83	16.41	104.79	98.87	-81.12	39.33	45.47	3.68	50.86	27.73	7.65	10.63	46.41	4.17	0.03	2.49	0.89
37	R	H	H	149.68	3.47	10.05	15.13	106.63	79.72	-83.65	55.81	45.72	3.92	50.36	29.90	7.05	9.43	44.99	4.97	0.03	2.66	0.97
38	R	H	H	149.31	3.57	9.27	14.53	109.00	84.73	-87.28	109.77	46.08	3.76	50.17	29.75	7.53	9.50	44.12	5.57	0.03	2.53	0.96
39	Q	C	H	126.61	2.73	9.45	13.80	108.96	-146.69	-87.45	113.08	49.40	3.72	46.88	31.26	8.44	10.35	41.02	5.46	0.03	2.43	1.01
40	R	C	H	156.12	3.27	8.51	13.61	112.59	-144.96	-94.38	122.44	53.91	3.73	42.36	34.71	9.73	9.95	36.94	5.24	0.03	2.28	1.12
41	R	C	C	159.89	2.84	9.06	13.72	115.00	-154.18	-94.83	130.34	57.78	3.72	38.50	39.22	8.92	9.56	33.80	5.05	0.02	2.22	1.23
42	R	C	C	157.76	3.41	8.60	13.90	112.45	-136.43	-89.71	127.92	59.58	2.53	37.90	40.37	8.78	10.26	31.76	6.44	0.01	1.41	0.96
43	K	C	C	136.90	3.58	9.39	14.74	113.06	-153.63	-92.77	131.48	62.00	2.02	35.98	30.56	14.58	17.25	28.58	7.12	0.04	1.05	0.83
44	D	C	C	98.44	3.16	10.82	15.37	109.87	-135.50	-91.84	110.61	70.63	1.50	27.87	46.59	8.41	14.95	22.64	5.91	0.00	0.78	0.72
45	F	H	H	115.77	7.59	7.86	16.51	100.15	-170.02	-82.23	-0.69	37.60	1.19	61.22	22.07	5.83	9.96	41.05	19.94	0.03	0.67	0.47
46	S	H	H	85.85	1.93	10.82	13.77	97.17	85.00	-73.33	-16.32	35.70	1.12	63.18	12.74	5.88	16.23	41.91	22.08	0.06	0.70	0.41
47	D	H	H	109.77	2.07	11.15	13.88	100.02	59.47	-86.71	0.44	34.68	1.73	63.59	13.32	6.29	14.75	41.94	21.96	0.07	1.09	0.57
48	V	H	H	72.45	8.70	7.19	16.85	114.09	104.61	-90.55	125.94	42.70	3.72	53.57	26.96	8.08	8.95	40.62	11.87	0.05	2.29	1.18
49	K	C	C	145.03	2.50	11.65	15.48	114.04	-157.68	-96.22	129.29	53.21	5.67	41.12	33.78	7.73	12.18	32.49	8.28	0.05	3.71	1.79
50	L	C	C	111.22	4.84	9.33	16.05	114.22	-139.30	-90.81	131.15	60.63	6.22	33.15	36.15	9.76	14.98	24.98	8.05	0.05	3.92	2.09
51	R	C	C	142.47	5.20	9.85	16.86	114.87	-157.55	-96.51	132.42	72.06	7.09	20.85	48.40	13.80	9.18	17.48	4.23	0.02	4.01	2.87
52	D	C	C	102.89	3.20	10.75	15.56	110.95	-133.61	-90.48	115.31	80.58	4.52	14.90	63.16	9.01	7.59	12.08	3.59	0.00	2.64	1.92
53	D	C	C	99.83	5.27	9.62	16.43	101.37	-162.60	-85.17	5.54	59.67	1.96	38.38	28.16	10.07	22.25	16.59	20.91	0.04	1.03	0.96
54	A	C	T	81.70	2.63	11.21	15.21	101.98	100.34	-80.41	3.06	59.77	1.59	38.64	12.66	10.89	35.72	15.65	23.28	0.08	0.91	0.81
55	A	C	T	75.51	3.51	12.00	16.75	103.87	73.17	-87.87	14.95	58.26	4.24	37.51	18.18	12.91	28.41	13.71	22.37	0.20	2.49	1.72
56	F	C	C	72.12	12.32	7.67	20.08	117.60	106.87	-97.74	135.41	83.94	8.28	7.78	48.15	33.29	2.67	5.92	2.03	0.02	3.32	4.60
57	S	C	C	59.37	2.92	14.83	18.30	116.82	-124.59	-77.52	154.17	89.69	6.65	3.66	86.39	2.74	0.87	3.35	0.53	0.00	3.06	3.06
58	V	H	H	100.16	4.22	11.19	17.23	93.50	-119.38	-60.71	-38.19	3.10	0.05	96.84	1.48	0.54	1.16	96.15	0.64	0.00	0.03	0.01
59	D	H	H	106.61	0.99	15.09	14.78	92.28	53.25	-65.34	-40.12	1.48	0.04	98.48	0.43	0.19	0.84	97.86	0.64	0.00	0.03	0.01
60	Q	H	H	82.61	4.58	14.49	20.40	92.25	49.05	-66.52	-40.21	0.88	0.05	99.07	0.33	0.11	0.46	98.45	0.60	0.00	0.04	0.01
61	V	H	H	40.19	10.63	12.01	24.06	91.88	51.09	-64.21	-42.26	0.60	0.04	99.37	0.24	0.08	0.29	99.05	0.31	0.00	0.03	0.00
62	K	H	H	109.25	2.71	16.68	19.64	91.80	50.75	-64.08	-41.25	0.72	0.04	99.24	0.22	0.08	0.42	99.05	0.21	0.00	0.03	0.00
63	Q	H	H	100.50	1.85	17.36	18.41	92.06	50.34	-64.93	-41.06	1.19	0.05	98.76	0.27	0.11	0.80	98.52	0.26	0.00	0.03	0.01
64	L	H	H	54.36	7.73	13.98	23.37	92.13	50.20	-65.11	-41.53	1.65	0.05	98.30	0.40	0.17	1.08	97.95	0.36	0.01	0.03	0.01
65	Q	H	H	75.58	7.23	13.62	22.20	92.06	51.69	-64.35	-40.29	3.00	0.07	96.93	0.70	0.32	2.00	96.43	0.48	0.01	0.04	0.02
66	T	H	H	84.41	1.76	14.99	16.42	92.54	50.82	-66.10	-39.50	8.36	0.13	91.51	1.55	0.81	5.97	90.67	0.85	0.02	0.06	0.05
67	K	H	H	127.69	2.41	13.71	16.63	93.50	51.57	-69.42	-33.02	15.87	0.19	83.94	2.40	1.68	11.79	82.76	1.15	0.04	0.08	0.09
68	L	H	H	79.33	7.03	10.12	18.36	97.86	51.05	-82.66	-14.79	42.33	1.12	56.56	9.14	6.10	27.53	53.80	2.27	0.13	0.49	0.54
69	H	C	T	137.92	2.68	11.52	15.41	100.66	-124.86	-37.49	38.04	60.69	2.33	36.98	19.15	7.68	34.02	33.02	3.98	0.06	1.21	0.87
70	L	C	C	106.16	4.14	8.01	13.97	108.57	138.72	-86.03	104.19	67.15	5.20	27.64	34.61	10.34	22.45	22.08	5.58	0.03	3.17	1.73
71	K	C	C	150.13	2.08	8.66	12.35	109.77	89.74	-89.76	112.61	79.02	3.49	17.49	62.22	2.08	14.74	14.48	2.97	0.00	2.12	1.40
72	Q	C	C	132.55	2.77	10.15	14.72	109.70	-135.00	-84.96	114.18	99.84	0.09	0.07	99.60	0.15	0.14	0.04	0.01	0.00	0.05	0.01