#	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	115.10	5.86	11.39	18.91	115.98	-160.13	-95.83	131.10	99.66	0.32	0.02	99.63	0.12	0.04	0.01	0.00	0.00	0.18	0.03
1	T	C	C	89.03	4.55	9.64	16.09	118.11	-156.34	-98.54	140.11	89.39	9.17	1.43	86.88	1.36	1.85	0.65	0.54	0.00	4.74	3.97
2	K	C	C	154.56	2.24	10.48	14.35	111.66	-130.85	-88.54	127.89	86.21	9.48	4.31	52.36	19.42	14.83	1.65	2.55	0.01	5.82	3.37
3	G	C	C	45.09	5.29	10.49	17.27	115.40	-38.88	104.87	-31.14	86.82	6.21	6.97	39.08	30.75	17.98	3.02	3.47	0.01	3.44	2.24
4	T	C	C	83.28	5.38	11.18	17.98	111.83	-64.70	-90.22	130.24	79.83	5.48	14.69	55.97	16.11	7.34	9.73	5.25	0.02	2.68	2.92
5	S	C	C	78.36	3.83	12.13	17.38	101.60	-131.75	-76.50	-17.11	57.24	3.48	39.28	31.42	11.33	15.03	22.31	16.59	0.06	1.98	1.28
6	S	C	H	70.00	4.72	12.32	18.31	104.52	62.58	-86.98	1.97	49.70	3.49	46.81	23.26	10.23	17.25	27.46	18.33	0.14	2.07	1.26
7	F	H	H	105.75	7.62	11.36	20.16	99.67	60.75	-91.22	-7.18	43.95	3.58	52.47	19.55	10.18	15.80	32.53	18.27	0.22	2.03	1.42
8	G	C	H	34.86	6.95	12.53	20.81	110.70	50.96	-20.68	-137.49	49.82	3.10	47.09	24.38	11.34	15.85	31.60	13.73	0.12	1.67	1.32
9	K	C	H	140.28	2.98	13.70	17.63	98.40	-9.13	-76.37	-16.82	48.02	4.02	47.96	22.28	11.58	16.21	31.43	14.41	0.20	2.25	1.63
10	R	C	H	144.17	4.48	12.24	18.05	102.11	62.93	-81.53	-9.33	51.11	4.47	44.42	23.96	12.17	16.91	29.06	13.34	0.21	2.41	1.95
11	H	C	C	111.99	6.98	11.57	19.64	104.29	68.74	-88.27	29.20	63.58	4.19	32.24	31.61	13.87	19.01	21.79	9.53	0.10	2.04	2.06
12	N	C	C	89.25	6.26	13.19	20.76	111.03	96.57	-98.26	107.32	77.48	3.44	19.07	38.93	17.86	21.20	11.63	6.95	0.03	1.63	1.77
13	K	C	C	123.55	6.95	13.25	21.34	102.14	-136.15	-83.89	8.19	79.55	4.77	15.69	37.82	21.60	20.99	7.45	7.47	0.03	2.38	2.26
14	T	C	C	81.65	6.17	15.48	22.59	104.75	85.92	-93.23	0.80	80.35	6.94	12.72	41.06	21.70	18.29	5.20	7.04	0.02	3.66	3.04
15	H	C	C	83.70	11.12	16.03	27.48	116.82	75.86	-104.36	131.13	82.08	10.12	7.80	49.46	20.17	12.99	2.54	5.14	0.01	6.82	2.87
16	G	C	C	19.78	12.70	17.91	31.06	117.98	89.73	-105.79	156.04	77.05	18.95	4.00	51.31	18.59	7.34	1.28	2.75	0.00	16.53	2.21
17	L	E	B	64.26	10.30	20.63	31.44	121.28	-126.46	-101.79	138.44	19.74	79.85	0.40	14.79	2.13	0.16	0.31	0.09	0.00	20.00	62.51
18	C	C	C	11.64	19.44	12.55	32.73	109.82	-114.47	-74.83	126.45	85.36	14.57	0.07	86.47	0.67	0.08	0.02	0.03	0.00	8.56	4.16
19	R	C	T	137.41	5.83	18.65	25.75	93.38	-151.73	-69.02	-27.03	99.68	0.10	0.22	0.66	3.03	96.06	0.01	0.16	0.00	0.06	0.03
20	R	C	T	126.11	6.27	17.26	24.47	100.03	43.69	-84.38	-40.04	99.76	0.03	0.20	0.07	1.51	98.26	0.00	0.12	0.00	0.01	0.01
21	C	C	T	55.92	7.47	15.13	24.13	101.85	21.32	-107.92	-13.27	99.80	0.04	0.16	0.27	2.18	97.41	0.00	0.11	0.00	0.02	0.01
22	G	C	C	40.38	5.87	16.59	23.78	94.77	-119.74	81.42	6.75	99.13	0.80	0.06	83.15	9.88	6.11	0.01	0.07	0.00	0.42	0.37
23	R	C	C	92.55	8.74	16.09	26.32	119.60	138.74	-79.86	146.77	92.33	7.60	0.07	84.96	7.51	0.29	0.02	0.05	0.00	4.99	2.18
24	R	E	B	117.11	9.75	19.70	29.85	117.80	-125.70	-95.28	135.43	18.38	81.54	0.08	17.59	1.29	0.09	0.06	0.03	0.00	39.70	41.23
25	S	C	C	17.86	16.88	17.47	34.44	133.48	-162.03	-136.44	156.18	58.57	41.29	0.14	52.61	5.22	0.32	0.03	0.12	0.00	40.67	1.04
26	L	E	E	47.47	12.14	18.98	32.14	125.09	-143.69	-118.39	142.38	31.60	67.84	0.56	25.60	4.87	0.79	0.23	0.36	0.00	48.08	20.06
27	H	E	C	54.87	11.63	15.85	28.71	112.98	-125.74	-87.26	128.13	47.71	51.36	0.93	41.53	4.00	1.24	0.42	0.60	0.00	39.31	12.90
28	N	C	T	88.92	8.23	14.96	24.14	94.76	-137.01	-65.77	-27.78	91.16	3.50	5.33	8.70	15.36	66.53	0.42	5.56	0.00	2.75	0.67
29	Q	C	T	127.96	2.60	16.29	19.03	97.91	43.47	-85.23	-25.66	89.20	4.40	6.40	7.15	14.62	66.96	0.80	6.20	0.00	3.24	1.02
30	K	C	T	99.12	7.42	15.89	23.80	114.36	28.19	-117.91	90.09	92.62	1.95	5.43	12.79	18.58	60.51	0.78	5.46	0.00	1.31	0.58
31	K	C	T	99.90	10.70	16.78	27.85	98.34	-128.74	-66.44	45.24	94.71	4.30	0.99	18.43	17.73	58.72	0.16	0.88	0.00	3.62	0.45
32	V	E	E	53.90	8.19	21.27	30.55	131.21	108.94	-124.99	151.30	12.49	87.37	0.14	9.76	2.19	0.25	0.09	0.07	0.00	49.43	38.20
33	C	E	E	11.40	19.25	13.89	34.02	111.57	-109.00	-72.59	133.23	32.23	67.71	0.05	32.80	0.54	0.04	0.03	0.02	0.00	46.98	19.59
34	A	C	T	49.19	9.48	18.39	29.06	93.48	-141.28	-67.31	-28.21	99.11	0.23	0.65	0.97	2.80	95.47	0.03	0.53	0.00	0.15	0.06
35	S	C	T	68.06	5.82	19.54	26.02	97.76	45.86	-80.81	-36.44	99.42	0.03	0.55	0.05	0.95	98.63	0.01	0.33	0.00	0.01	0.01
36	C	C	T	53.93	8.64	17.04	26.80	101.77	21.84	-107.32	-10.21	99.52	0.05	0.43	0.15	1.65	97.89	0.01	0.27	0.00	0.02	0.01
37	G	C	C	34.02	7.89	18.01	27.04	95.66	-115.06	84.24	6.65	98.70	1.10	0.20	76.76	13.80	8.02	0.07	0.11	0.00	0.44	0.79
38	Y	C	C	64.35	12.39	15.07	28.71	117.64	139.88	-76.85	142.37	94.70	4.84	0.46	82.81	11.38	0.51	0.33	0.17	0.00	2.15	2.66
39	P	E	B	58.95	8.66	19.81	28.99	111.66	-104.55	-67.32	150.24	31.80	60.14	8.06	19.24	6.48	3.61	4.45	3.21	0.35	18.92	43.74
40	A	C	C	39.15	12.23	15.67	28.44	112.40	-101.96	-72.12	142.29	69.92	5.23	24.85	47.14	10.93	11.67	6.74	18.51	0.01	3.37	1.64
41	A	C	C	45.29	11.85	13.33	25.78	108.19	-125.21	-74.70	126.54	61.14	4.18	34.68	39.75	10.87	10.73	10.31	24.46	0.01	2.46	1.41
42	K	C	C	142.96	3.20	15.74	19.86	98.61	-146.99	-79.11	-20.06	59.72	7.69	32.59	29.87	15.38	15.20	12.16	19.90	0.10	4.38	3.01
43	T	C	C	79.02	5.55	13.27	20.10	109.46	49.13	-94.40	69.44	62.62	12.02	25.36	37.26	13.57	11.64	11.86	13.66	0.11	7.05	4.84
44	R	C	C	118.46	9.56	9.94	20.18	111.20	104.25	-84.11	124.02	79.67	9.20	11.13	55.56	15.04	8.45	7.36	4.17	0.01	5.86	3.55
45	K	C	C	145.83	2.48	13.94	17.46	112.35	-147.05	-95.20	121.72	81.28	8.67	10.05	50.44	19.31	11.36	6.64	3.71	0.02	5.22	3.30
46	Y	C	C	127.45	7.06	10.96	19.28	109.73	-112.49	-93.80	105.23	79.33	5.45	15.23	35.35	25.70	18.52	11.30	3.96	0.05	3.00	2.13
47	N	C	C	100.62	4.66	12.99	18.99	104.52	-123.57	-85.64	72.35	76.75	3.81	19.44	40.83	17.19	18.82	15.23	4.32	0.02	1.94	1.65
48	W	C	C	124.61	8.21	11.61	20.99	99.04	139.23	-82.83	-9.04	60.88	2.54	36.58	33.23	12.36	15.63	31.99	4.41	0.03	1.23	1.12
49	S	H	H	47.12	6.92	12.91	21.40	107.73	85.67	-79.87	-36.47	43.98	1.57	54.45	28.83	8.71	7.65	50.21	3.24	0.02	0.74	0.61
50	E	H	H	117.43	2.78	15.84	19.05	94.03	31.82	-65.21	-38.15	9.28	0.62	90.10	5.04	2.11	3.65	85.23	3.35	0.04	0.44	0.13
51	K	H	H	100.79	5.25	15.95	22.24	92.73	52.13	-66.27	-39.11	7.01	0.84	92.15	3.67	1.25	3.26	86.81	4.08	0.05	0.74	0.14
52	A	H	H	25.64	10.57	12.71	25.07	92.38	51.94	-65.18	-40.10	7.33	1.06	91.61	3.63	1.31	3.51	85.70	4.68	0.07	0.93	0.18
53	K	H	H	108.06	4.17	16.98	21.91	92.38	52.23	-65.86	-39.05	12.69	1.59	85.72	5.79	2.20	6.31	80.30	3.68	0.14	1.08	0.48
54	R	H	H	124.94	3.27	16.55	20.31	92.55	51.05	-67.74	-36.54	22.11	1.94	75.95	9.43	3.67	10.69	71.38	2.82	0.15	1.08	0.77
55	R	H	H	95.08	9.39	13.04	23.42	94.74	56.63	-69.09	-32.42	26.10	1.94	71.97	15.05	4.17	8.46	67.68	2.70	0.08	0.96	0.91
56	K	H	H	119.45	5.87	14.63	21.57	95.66	59.24	-69.30	-32.17	27.39	1.40	71.21	12.23	4.07	11.87	67.14	3.29	0.08	0.78	0.53
57	V	H	H	97.67	3.25	15.25	18.97	100.56	46.52	-83.33	-31.72	32.57	1.16	66.27	8.78	6.43	18.25	62.33	2.97	0.16	0.57	0.50
58	T	H	H	77.87	4.72	14.37	20.02	101.83	37.23	-94.76	-11.61	43.41	1.31	55.28	10.30	12.72	21.66	51.92	2.04	0.16	0.48	0.72
59	G	C	C	36.36	6.72	12.85	21.05	110.07	-125.77	80.14	40.67	89.20	1.35	9.45	42.82	24.18	22.31	5.56	3.80	0.00	0.64	0.70
60	T	C	C	75.48	6.19	13.84	21.01	109.69	-56.91	-94.24	71.74	74.41	2.37	23.22	37.37	20.00	17.43	13.87	8.86	0.02	1.04	1.41
61	G	C	C	37.68	6.36	15.02	22.36	102.29	-88.58	61.39	-50.29	58.06	2.14	39.80	23.98	16.21	18.57	20.77	18.29	0.09	1.04	1.06
62	R	H	H	124.91	6.62	14.97	22.32	94.72	57.27	-70.67	-26.63	45.09	2.93	51.98	20.94	9.43	14.89	27.46	24.39	0.09	1.78	1.00
63	M	H	H	81.48	9.85	12.96	23.50	96.57	58.06	-79.69	-8.96	39.00	3.33	57.67	22.67	6.33	10.01	31.21	26.58	0.04	2.26	0.89
64	R	H	H	135.99	4.49	15.48	21.21	93.80	90.08	-65.89	-33.86	34.23	3.43	62.34	15.43	6.19	12.32	35.26	27.44	0.09	2.42	0.85
65	Y	H	H	118.25	6.11	15.09	22.11	95.22	52.57	-77.31	-21.55	31.22	3.37	65.40	13.02	4.97	12.66	37.45	28.54	0.06	2.59	0.72
66	L	H	H	64.72	12.16	11.95	24.36	94.86	71.11	-70.52	-28.15	24.91	2.30	72.80	12.07	3.99	8.49	40.57	32.63	0.04	1.74	0.48
67	S	H	H	69.46	4.76	15.26	21.11	94.30	67.19	-71.76	-21.86	38.14	2.10	59.76	10.59	5.81	20.01	34.41	27.01	0.11	1.41	0.65
68	T	H	H	85.64	3.67	15.61	19.93	99.51	51.54	-91.39	-4.14	45.17	3.25	51.59	11.49	8.69	24.34	30.78	21.16	0.27	2.03	1.24
69	V	C	H	50.38	11.83	10.42	23.06	109.87	104.43	-80.62	123.09	58.24	1.91	39.85	32.52	21.20	5.13	35.97	3.61	0.02	0.85	0.69
70	P	H	H	70.55	5.67	13.73	20.89	104.40	-117.27	-68.11	104.17	47.97	2.22	49.81	39.82	3.50	5.34	40.02	9.23	0.00	1.49	0.59
71	R	H	H	143.96	4.20	12.64	18.15	96.39	-98.40	-68.07	-29.99	27.62	3.07	69.31	15.05	4.79	8.03	46.37	22.75	0.06	2.26	0.68
72	R	H	H	136.35	4.42	13.00	18.65	94.22	62.19	-69.63	-28.47	26.12	3.52	70.36	12.73	4.79	8.90	47.46	22.62	0.07	2.66	0.76
73	F	H	H	98.11	8.31	10.01	19.41	101.95	51.07	-93.67	4.23	34.88	4.92	60.20	18.47	6.78	10.70	40.38	18.96	0.12	3.13	1.47
74	K	C	H	134.86	3.79	11.87	17.17	101.79	101.71	-76.03	-9.93	52.84	4.51	42.65	20.80	10.43	22.98	32.71	8.43	0.20	2.42	2.03
75	N	C	T	117.19	2.28	12.77	15.75	100.62	38.76	-90.23	15.42	73.86	1.67	24.47	14.98	14.08	44.16	18.26	6.68	0.05	0.87	0.91
76	G	C	T	42.24	5.48	11.62	18.61	110.35	-106.12	89.79	29.07	87.17	2.70	10.12	31.03	20.68	36.26	4.49	4.99	0.01	1.48	1.06
77	F	C	C	119.30	6.71	10.58	18.77	115.88	-58.44	-90.12	134.55	79.92	13.06	7.02	56.65	13.90	8.36	3.34	3.82	0.02	7.06	6.85
78	R	C	C	138.30	5.30	10.71	17.73	117.08	-159.39	-105.32	129.68	84.03	11.20	4.78	68.27	8.68	6.27	2.10	2.68	0.00	6.81	5.19
79	T	C	T	106.34	2.52	11.11	15.40	114.51	-140.96	-89.74	134.80	90.45	6.00	3.54	32.64	14.96	43.53	1.20	2.02	0.00	3.71	1.94
80	G	C	T	59.32	1.57	12.54	14.34	104.64	15.41	86.48	-4.75	95.45	2.60	1.95	23.35	27.81	44.56	0.36	1.52	0.00	1.69	0.70
81	V	C	C	83.42	6.00	9.16	16.94	117.41	112.51	-95.72	134.21	95.69	3.78	0.53	60.23	34.94	0.97	0.20	0.27	0.00	1.72	1.66
82	P	C	C	85.93	3.95	10.64	16.38	113.45	-109.12	-67.02	147.72	92.00	5.71	2.29	84.30	5.04	2.21	0.96	1.18	0.00	2.67	3.64
83	K	C	C	159.16	2.21	10.44	14.36	110.24	-105.96	-74.19	136.88	84.64	3.62	11.74	52.92	14.87	16.49	3.10	8.91	0.00	1.94	1.78
84	G	C	C	54.62	2.62	11.68	15.51	109.28	13.94	87.16	13.04	83.11	3.56	13.33	46.16	18.66	18.37	2.85	10.54	0.00	2.00	1.42
85	A	C	C	72.53	5.10	9.81	16.50	110.28	-112.67	-77.52	134.63	82.64	4.93	12.43	58.53	12.43	11.15	3.00	9.93	0.00	2.89	2.07
86	R	C	C	164.15	3.19	10.09	14.98	112.93	-150.00	-96.66	124.46	85.90	7.30	6.79	55.41	21.23	8.72	2.64	4.06	0.01	3.37	4.56
87	G	C	C	40.80	4.48	10.38	16.47	125.98	-140.14	-128.54	173.55	95.43	3.28	1.28	63.96	29.54	2.11	0.55	0.66	0.00	1.69	1.49
88	P	C	C	104.51	2.40	11.37	14.89	111.34	-62.85	-69.65	148.44	85.98	3.42	10.60	63.98	10.34	11.61	3.40	7.16	0.00	2.22	1.31
89	A	C	C	82.39	3.30	9.00	14.19	109.90	-108.34	-76.61	136.55	81.20	6.44	12.36	54.95	13.78	12.48	4.07	8.20	0.00	4.05	2.46
90	V	C	C	110.75	2.94	8.36	13.03	112.25	-143.75	-91.66	126.35	77.81	8.91	13.28	52.69	16.49	8.61	5.20	7.93	0.01	5.70	3.37
91	S	C	C	85.72	2.17	8.04	11.94	112.40	-143.12	-91.37	132.56	81.74	7.53	10.73	55.66	18.84	7.69	4.21	6.08	0.01	5.28	2.23
92	T	C	C	109.66	1.83	8.19	11.58	110.75	-154.48	-91.62	113.39	83.28	7.79	8.93	60.25	14.45	8.65	3.37	5.36	0.01	5.53	2.39
93	S	C	C	88.46	2.09	7.34	11.21	112.28	-141.17	-88.01	132.42	89.48	5.25	5.27	81.93	2.10	6.18	2.07	2.38	0.00	3.39	1.94
94	S	C	C	87.51	2.26	9.78	13.64	110.95	-145.58	-91.33	126.03	99.82	0.14	0.04	99.65	0.13	0.10	0.02	0.00	0.00	0.08	0.02