#	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	89.33	9.49	14.19	24.17	110.43	76.31	-87.16	123.83	99.84	0.08	0.07	99.79	0.08	0.04	0.04	0.00	0.00	0.03	0.02
1	A	C	C	61.19	4.67	14.93	20.56	104.72	-132.96	-74.97	-36.07	58.42	1.83	39.75	53.59	1.26	3.47	39.03	1.09	0.00	0.63	0.93
2	V	H	H	69.84	9.46	13.16	23.28	95.31	53.06	-66.36	-37.88	14.20	0.23	85.58	8.16	2.54	3.99	83.51	1.60	0.01	0.10	0.09
3	T	H	H	63.71	8.58	14.93	24.29	94.43	53.19	-67.98	-38.82	8.43	0.16	91.41	4.52	1.28	3.02	88.93	2.12	0.00	0.08	0.05
4	S	H	H	59.83	3.73	18.11	22.02	94.30	52.16	-67.09	-39.00	5.78	0.14	94.08	3.10	0.89	2.18	91.66	2.03	0.01	0.09	0.04
5	F	H	H	85.25	7.53	18.20	26.49	92.98	51.01	-65.85	-41.47	3.45	0.13	96.42	1.67	0.58	1.49	95.19	0.95	0.01	0.08	0.04
6	L	H	H	42.12	14.35	17.15	31.71	92.38	50.62	-64.72	-41.90	1.62	0.03	98.35	0.59	0.21	0.78	98.04	0.35	0.00	0.01	0.01
7	G	H	H	24.61	8.00	19.02	28.27	91.80	51.67	-63.13	-42.12	1.58	0.02	98.40	0.44	0.16	0.88	98.18	0.32	0.00	0.01	0.00
8	K	H	H	107.31	3.40	22.35	25.38	91.90	49.65	-65.24	-41.10	1.24	0.02	98.74	0.33	0.13	0.71	98.49	0.32	0.00	0.01	0.00
9	A	H	H	23.33	11.37	18.43	31.14	91.84	50.42	-64.08	-42.10	1.16	0.01	98.83	0.28	0.11	0.68	98.53	0.39	0.00	0.01	0.00
10	F	H	H	47.34	15.40	17.79	33.18	92.15	50.14	-64.62	-41.12	1.69	0.02	98.29	0.39	0.15	1.03	97.72	0.69	0.00	0.01	0.00
11	E	H	H	92.82	6.42	20.36	27.30	91.94	51.55	-64.75	-39.77	3.02	0.03	96.95	0.49	0.25	2.16	95.67	1.39	0.01	0.02	0.01
12	K	H	H	104.50	5.68	20.63	26.67	92.91	50.39	-67.53	-38.24	7.11	0.06	92.83	0.75	0.53	5.84	90.67	2.13	0.02	0.04	0.02
13	Y	H	H	61.00	14.67	17.67	31.98	98.01	44.05	-83.84	-35.19	13.85	0.23	85.91	2.05	1.47	10.59	82.81	2.78	0.07	0.13	0.10
14	F	H	H	64.61	14.07	17.97	31.65	100.25	46.99	-87.34	-24.39	25.47	1.27	73.26	6.86	4.31	15.97	67.66	3.76	0.21	0.66	0.57
15	Y	H	H	106.53	8.39	19.24	27.99	99.89	57.94	-80.68	-20.85	37.21	2.32	60.48	12.98	7.48	18.85	54.35	3.98	0.19	1.21	0.95
16	D	H	H	58.22	10.55	18.09	29.00	101.23	58.19	-88.51	21.68	45.03	1.93	53.04	23.95	6.49	15.08	49.29	3.44	0.04	0.99	0.74
17	F	H	H	60.83	15.29	16.00	30.82	96.98	125.43	-75.68	-20.10	30.88	1.29	67.83	15.11	6.00	11.29	62.59	3.76	0.07	0.70	0.47
18	S	H	H	50.21	5.09	20.06	25.78	93.56	73.88	-64.90	-38.66	20.30	0.82	78.87	9.57	3.31	8.72	73.82	3.75	0.05	0.52	0.27
19	A	H	H	26.38	9.82	16.89	28.39	92.72	52.39	-65.37	-39.51	8.94	0.37	90.69	3.71	1.60	4.51	85.59	4.19	0.05	0.25	0.10
20	Y	H	H	44.49	16.41	13.56	29.90	92.43	52.52	-64.84	-40.86	5.43	0.33	94.24	2.23	0.90	2.89	89.38	4.26	0.04	0.24	0.07
21	E	H	H	112.69	5.22	17.10	23.38	92.74	49.71	-66.94	-38.50	6.00	0.21	93.79	1.70	0.82	3.82	89.39	4.03	0.06	0.14	0.06
22	Q	H	H	121.86	2.04	17.46	19.27	94.94	45.33	-74.42	-37.04	12.39	0.14	87.48	1.46	1.34	9.79	84.13	3.06	0.09	0.07	0.06
23	F	H	H	91.23	8.10	14.60	23.89	101.31	30.01	-100.35	-11.06	48.24	0.48	51.28	3.77	7.50	36.75	48.42	2.89	0.14	0.18	0.35
24	G	C	T	23.11	8.52	16.57	26.37	102.41	-107.16	77.31	7.93	84.08	0.42	15.50	36.33	6.35	41.71	12.40	2.77	0.00	0.18	0.25
25	L	H	H	42.62	15.82	12.18	27.77	93.94	122.93	-64.25	-35.09	22.79	0.35	76.86	10.21	3.12	8.84	43.58	33.91	0.01	0.19	0.14
26	N	H	H	100.69	4.80	16.30	22.46	92.59	59.48	-67.55	-26.18	18.80	0.34	80.85	3.97	2.42	10.78	43.33	39.13	0.04	0.20	0.12
27	R	H	H	150.86	2.84	17.24	20.37	95.19	54.43	-77.15	-24.13	19.09	0.53	80.39	4.29	2.81	10.50	43.96	37.87	0.08	0.31	0.17
28	F	H	H	74.70	12.31	13.11	25.71	100.87	51.02	-89.59	-16.40	36.94	3.43	59.63	14.13	9.45	15.15	39.02	18.57	0.36	1.81	1.52
29	L	C	C	66.84	12.34	11.93	24.46	106.71	75.75	-88.14	74.38	62.98	5.23	31.78	36.81	17.89	9.30	27.03	4.08	0.07	2.29	2.53
30	S	C	C	65.64	4.58	14.42	20.13	107.39	86.87	-84.61	43.28	69.66	2.60	27.73	42.25	13.84	13.06	23.82	4.65	0.02	1.41	0.95
31	S	C	C	75.37	4.12	13.75	18.99	99.56	-6.72	-75.00	-16.12	63.18	2.05	34.77	32.33	16.20	15.23	28.58	5.74	0.03	0.94	0.95
32	K	H	H	124.19	5.14	14.09	20.45	98.51	60.62	-74.81	-22.84	44.76	0.83	54.41	11.86	10.72	23.52	47.73	5.24	0.11	0.38	0.45
33	G	H	H	27.20	10.91	15.16	26.45	100.11	50.52	-62.65	-35.20	40.89	0.69	58.41	13.77	7.45	20.62	53.37	4.07	0.05	0.35	0.32
34	Q	H	H	87.25	9.35	16.33	26.13	95.21	62.17	-67.44	-37.00	18.03	1.36	80.61	10.48	3.45	5.65	75.86	3.19	0.03	1.04	0.32
35	Y	H	H	111.85	6.01	19.22	25.61	94.00	54.46	-67.59	-39.81	9.01	3.01	87.98	5.19	1.64	3.31	84.08	2.59	0.05	2.79	0.36
36	V	H	H	44.01	10.51	19.37	30.65	93.55	51.31	-66.29	-42.11	5.23	3.02	91.75	2.88	0.85	2.07	88.53	2.35	0.04	3.07	0.21
37	A	H	H	21.50	15.88	17.80	33.66	92.62	52.06	-64.36	-41.91	5.12	1.53	93.35	2.40	0.74	2.32	90.03	2.72	0.02	1.65	0.13
38	L	H	H	70.50	9.76	20.61	30.49	92.80	51.22	-66.59	-39.05	8.76	0.69	90.56	2.43	1.10	5.16	87.08	3.43	0.06	0.61	0.14
39	R	H	H	117.46	6.14	22.46	28.78	93.35	50.91	-68.11	-37.88	17.86	0.42	81.71	2.82	1.94	12.97	79.17	2.58	0.10	0.26	0.16
40	H	H	H	44.72	15.66	19.70	34.78	95.19	47.70	-73.24	-35.75	19.27	0.41	80.31	4.05	2.27	12.89	78.63	1.71	0.05	0.20	0.20
41	V	H	H	35.77	16.90	19.75	35.84	92.46	53.79	-63.81	-41.73	2.96	0.03	97.00	0.93	0.39	1.47	96.81	0.37	0.00	0.01	0.01
42	G	H	H	32.20	5.97	22.60	28.85	91.94	51.60	-64.24	-41.28	1.15	0.01	98.84	0.28	0.11	0.65	98.69	0.25	0.00	0.00	0.00
43	F	H	H	84.66	8.41	22.72	31.42	92.21	49.47	-65.30	-41.64	0.48	0.01	99.51	0.11	0.04	0.28	99.38	0.18	0.00	0.00	0.00
44	V	H	H	16.44	20.13	19.62	39.14	92.05	49.23	-64.74	-42.89	0.32	0.00	99.68	0.06	0.02	0.19	99.64	0.09	0.00	0.00	0.00
45	M	H	H	57.48	13.65	21.73	34.93	91.96	50.03	-63.96	-42.11	0.43	0.00	99.57	0.06	0.03	0.28	99.55	0.08	0.00	0.00	0.00
46	V	H	H	75.66	3.87	24.47	27.89	91.66	49.16	-64.65	-42.09	0.65	0.00	99.35	0.07	0.03	0.47	99.34	0.09	0.00	0.00	0.00
47	G	H	H	14.99	12.65	20.43	33.78	92.33	50.24	-64.66	-42.40	0.98	0.00	99.02	0.10	0.05	0.72	99.00	0.12	0.00	0.00	0.00
48	V	H	H	18.40	20.07	19.00	38.46	92.03	49.49	-64.52	-42.61	0.51	0.00	99.49	0.06	0.03	0.35	99.44	0.13	0.00	0.00	0.00
49	N	H	H	70.69	8.25	21.50	30.03	91.58	50.53	-63.71	-40.48	0.59	0.00	99.41	0.07	0.03	0.42	99.21	0.26	0.00	0.00	0.00
50	V	H	H	71.29	4.36	21.39	25.85	91.81	50.58	-64.80	-41.54	0.89	0.01	99.10	0.08	0.05	0.69	98.70	0.48	0.00	0.00	0.00
51	L	H	H	29.96	15.65	16.69	32.65	92.32	50.02	-65.94	-40.17	1.60	0.02	98.39	0.16	0.11	1.23	97.73	0.76	0.00	0.01	0.00
52	L	H	H	53.08	14.33	15.59	29.85	92.53	49.91	-67.09	-35.55	5.59	0.04	94.37	0.44	0.38	4.62	93.49	1.04	0.02	0.02	0.01
53	A	H	H	75.69	3.07	17.56	21.03	93.02	53.46	-72.93	-22.76	21.14	0.09	78.76	1.47	1.72	17.86	77.56	1.25	0.04	0.03	0.06
54	A	C	T	59.58	6.52	13.95	21.58	100.18	64.81	-83.17	-4.04	70.28	0.56	29.16	6.39	13.93	48.26	28.29	2.47	0.05	0.19	0.42
55	N	C	T	109.18	4.64	15.90	21.65	101.53	-115.79	-52.71	60.82	88.79	0.81	10.40	30.58	11.52	47.25	7.30	2.52	0.00	0.36	0.47
56	F	C	C	67.64	15.33	10.47	25.35	114.93	174.97	-86.16	131.24	94.77	1.71	3.52	72.49	16.96	5.05	1.42	2.02	0.00	0.71	1.35
57	P	C	C	78.13	6.61	16.77	24.18	104.37	-115.49	-71.03	105.69	94.66	1.35	3.99	49.25	18.91	26.49	0.80	3.20	0.00	0.68	0.69
58	F	C	C	95.23	11.57	13.59	25.43	111.59	62.64	-92.95	118.87	89.72	5.62	4.66	36.75	29.44	23.98	0.84	3.75	0.01	2.41	2.82
59	N	C	C	95.98	6.77	17.06	24.93	112.49	-125.54	-108.23	112.40	95.40	3.97	0.63	51.93	41.88	1.87	0.16	0.45	0.00	1.78	1.92
60	P	C	C	46.93	13.95	14.03	28.17	116.58	-144.14	-71.99	151.58	98.72	0.96	0.32	82.00	14.75	2.00	0.06	0.26	0.00	0.54	0.38
61	P	C	C	79.03	7.63	19.07	27.16	103.62	-108.75	-70.36	71.79	97.90	1.53	0.58	71.81	22.73	3.30	0.13	0.47	0.00	0.71	0.85
62	F	C	C	58.19	17.28	14.80	31.40	119.25	15.37	-108.64	134.46	91.91	6.41	1.68	59.61	29.93	2.36	0.70	0.91	0.00	2.61	3.89
63	P	C	C	52.02	12.01	19.28	31.49	112.74	-109.21	-70.48	146.74	89.28	4.78	5.94	64.44	14.76	9.99	1.74	4.26	0.00	3.37	1.43
64	T	C	C	52.65	14.67	18.35	32.43	115.25	-142.13	-99.27	131.67	67.98	22.73	9.30	44.42	13.54	10.47	3.40	6.04	0.07	15.17	6.89
65	I	C	C	56.33	15.58	18.30	33.19	110.17	-150.05	-93.93	101.72	59.82	28.13	12.04	33.44	13.82	15.04	3.75	8.06	0.18	20.06	5.65
66	G	C	C	28.55	12.40	19.79	31.79	109.37	-36.83	83.86	12.70	66.28	25.47	8.25	34.33	16.07	18.56	1.82	6.30	0.04	19.35	3.53
67	M	C	C	74.00	12.67	19.29	31.72	111.85	79.52	-95.55	109.46	68.94	25.05	6.01	44.42	16.88	8.00	1.65	4.66	0.05	16.75	7.58
68	C	C	C	30.35	17.34	13.28	30.23	119.60	-135.28	-91.64	140.22	84.20	15.45	0.36	63.85	19.85	0.75	0.14	0.24	0.00	9.86	5.32
69	P	C	C	46.60	9.75	15.01	26.19	115.40	-105.51	-67.00	154.18	94.67	3.93	1.40	81.66	8.40	4.30	0.31	1.26	0.00	2.37	1.70
70	A	C	T	91.52	2.18	15.22	18.31	108.81	-83.50	-61.31	135.14	94.97	0.49	4.54	1.76	5.97	87.33	0.36	4.04	0.00	0.25	0.29
71	G	C	T	59.45	1.88	15.71	17.40	96.32	20.89	84.88	-2.78	96.02	0.37	3.61	2.89	5.90	87.06	0.29	3.50	0.00	0.22	0.14
72	W	C	C	71.65	15.76	8.88	23.86	116.66	106.67	-96.96	131.22	88.67	6.85	4.47	72.82	10.48	4.48	0.94	4.14	0.00	3.30	3.84
73	E	C	C	136.27	2.88	17.10	20.85	113.48	-162.76	-94.17	133.84	87.79	8.85	3.35	63.11	13.65	10.97	1.27	2.05	0.00	4.94	4.00
74	G	C	S	33.98	9.76	16.19	26.18	117.89	22.39	100.07	-160.30	82.29	8.67	9.05	26.96	32.45	24.24	3.43	4.92	0.03	6.04	1.93
75	T	C	C	63.68	10.77	18.31	29.07	110.89	-61.40	-96.13	105.85	73.47	14.06	12.47	35.21	23.68	16.09	5.74	6.21	0.08	10.03	2.96
76	W	C	C	73.25	15.57	18.26	33.24	103.08	74.22	-85.87	-0.28	53.29	29.24	17.47	28.17	15.53	11.62	10.01	7.45	0.45	20.89	5.89
77	V	C	C	36.29	16.11	19.34	34.93	112.14	56.36	-96.25	123.18	48.14	34.75	17.11	29.47	11.40	8.43	11.83	5.84	0.40	26.30	6.33
78	C	C	C	36.48	15.50	17.70	32.85	104.92	51.44	-92.34	12.27	56.61	26.36	17.03	36.25	11.97	8.63	11.63	5.91	0.23	20.47	4.90
79	Q	C	C	67.77	11.33	16.09	28.06	117.13	107.44	-94.65	137.08	69.13	13.88	16.98	47.18	13.97	8.06	12.66	4.71	0.07	9.84	3.51
80	A	C	S	73.22	6.10	16.09	23.33	95.75	-127.49	-69.24	-21.76	80.98	2.25	16.77	21.02	39.81	20.83	12.38	3.86	0.04	1.18	0.88
81	D	C	C	75.61	5.28	15.92	22.37	111.40	65.36	-101.64	104.72	83.89	2.25	13.86	52.07	17.55	13.95	11.14	3.11	0.00	1.03	1.14
82	K	H	H	102.37	12.06	13.15	25.50	94.02	-164.13	-63.74	-34.39	7.08	0.06	92.85	2.93	1.74	2.81	91.10	1.36	0.00	0.02	0.03
83	A	H	H	68.62	2.38	19.19	21.11	92.39	54.61	-64.20	-41.30	3.02	0.03	96.96	0.65	0.37	1.96	95.68	1.32	0.01	0.01	0.01
84	K	H	H	89.97	5.43	19.86	25.84	92.28	48.25	-66.15	-40.52	1.51	0.03	98.46	0.44	0.18	0.89	97.25	1.22	0.00	0.02	0.01
85	A	H	H	6.60	19.42	14.14	34.13	91.56	52.01	-63.23	-42.84	0.54	0.00	99.46	0.16	0.05	0.26	99.24	0.28	0.00	0.00	0.00
86	L	H	H	58.83	8.96	20.65	30.41	91.66	50.35	-63.41	-41.21	0.35	0.00	99.65	0.09	0.03	0.18	99.60	0.10	0.00	0.00	0.00
87	E	H	H	101.41	2.36	24.13	24.87	91.47	50.36	-64.14	-41.91	0.32	0.00	99.68	0.06	0.02	0.18	99.65	0.08	0.00	0.00	0.00
88	M	H	H	29.99	13.60	19.12	33.62	91.98	50.10	-64.48	-42.35	0.45	0.00	99.55	0.07	0.02	0.28	99.52	0.10	0.00	0.00	0.00
89	Y	H	H	34.95	17.55	17.30	34.76	91.91	50.67	-63.86	-42.02	0.55	0.00	99.45	0.10	0.04	0.33	99.41	0.11	0.00	0.00	0.00
90	K	H	H	106.86	3.18	21.62	24.37	91.57	50.69	-63.62	-41.90	0.64	0.00	99.36	0.11	0.04	0.40	99.29	0.15	0.00	0.00	0.00
91	E	H	H	88.44	3.45	19.53	23.12	91.69	49.66	-64.48	-41.26	1.20	0.00	98.80	0.17	0.08	0.83	98.59	0.33	0.00	0.00	0.00
92	W	H	H	47.32	14.16	13.70	28.63	92.40	49.67	-65.53	-40.84	3.03	0.01	96.96	0.44	0.25	2.12	96.53	0.65	0.00	0.00	0.00
93	K	H	H	99.28	8.08	14.39	23.55	92.23	51.75	-65.44	-37.48	10.49	0.04	89.47	1.56	0.95	7.50	89.00	0.95	0.01	0.02	0.02
94	K	H	H	152.98	1.12	15.06	15.44	92.83	52.43	-69.92	-28.22	28.38	0.18	71.44	4.84	3.33	19.79	70.58	1.26	0.02	0.06	0.11
95	S	C	H	67.04	4.77	10.08	16.55	97.43	62.17	-79.92	-8.73	59.60	0.31	40.08	29.09	2.05	26.04	41.29	1.22	0.00	0.10	0.20
96	N	C	C	110.03	4.62	12.58	18.74	102.06	96.04	-76.31	46.48	99.92	0.02	0.06	99.62	0.12	0.19	0.05	0.00	0.00	0.01	0.00