#	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	119.68	5.01	11.65	18.46	114.19	-169.05	-94.64	130.56	99.55	0.42	0.03	99.50	0.14	0.06	0.01	0.00	0.00	0.22	0.05
1	G	C	C	47.12	4.65	9.46	15.89	119.69	-145.82	-96.03	161.16	91.92	6.64	1.45	87.35	1.90	2.95	0.54	0.69	0.00	3.56	3.02
2	K	C	C	164.09	1.47	10.14	12.75	109.77	-108.97	-88.93	110.20	90.09	7.38	2.53	45.60	22.48	22.69	0.70	1.80	0.00	4.09	2.64
3	G	C	S	51.57	3.26	9.91	14.86	114.69	-0.81	101.49	-170.71	93.18	3.84	2.97	32.31	39.14	22.19	0.76	2.06	0.00	1.98	1.56
4	T	C	C	82.46	4.69	9.74	16.04	116.24	-62.61	-94.35	138.51	90.83	3.62	5.55	61.60	26.17	2.91	3.52	1.83	0.00	1.26	2.70
5	P	C	G	101.01	3.14	10.98	15.68	100.03	-121.55	-69.86	-19.40	53.64	1.74	44.62	25.66	8.61	19.60	16.73	27.66	0.02	0.93	0.80
6	S	H	G	78.31	3.43	10.92	15.70	103.73	60.77	-84.94	7.02	47.29	1.95	50.76	15.18	8.74	23.33	21.86	28.79	0.14	1.07	0.88
7	L	H	G	94.77	6.44	10.17	17.96	105.70	74.29	-91.89	23.01	42.32	2.88	54.80	17.11	9.90	16.19	25.53	28.35	0.18	1.49	1.26
8	G	C	C	38.08	6.04	11.56	19.02	115.76	61.52	80.55	-170.10	53.44	2.90	43.66	27.42	11.80	15.55	25.71	16.61	0.07	1.45	1.39
9	K	C	C	148.15	2.44	12.67	16.16	102.83	-44.99	-80.91	13.28	53.99	3.94	42.07	25.13	12.82	17.55	23.85	16.67	0.16	2.07	1.75
10	R	C	C	150.39	3.80	11.15	16.54	107.03	70.40	-85.89	71.17	57.49	4.54	37.98	28.22	13.42	17.28	21.13	15.37	0.15	2.30	2.13
11	H	C	C	118.08	6.26	10.45	18.05	105.06	85.14	-88.85	49.61	70.25	4.10	25.65	36.97	14.97	18.90	14.88	10.09	0.05	1.99	2.13
12	N	C	C	100.15	4.56	12.37	18.46	111.47	110.68	-100.37	111.15	81.50	3.62	14.89	41.63	20.01	20.45	7.29	7.01	0.02	1.71	1.88
13	K	C	C	126.07	6.16	12.04	19.63	105.80	-157.49	-88.94	44.49	82.68	5.14	12.19	41.78	23.92	17.78	4.66	6.84	0.01	2.53	2.48
14	S	C	C	69.50	5.52	14.08	20.84	105.09	90.79	-91.08	2.49	84.74	6.79	8.46	48.12	22.91	14.26	2.38	5.80	0.00	3.88	2.66
15	H	C	C	92.63	9.66	14.29	24.72	115.88	85.46	-100.74	126.49	82.48	13.17	4.35	57.29	18.24	7.11	1.02	3.35	0.00	10.28	2.70
16	T	C	C	48.97	11.36	16.09	28.40	120.26	-161.15	-107.67	134.90	66.40	31.66	1.94	50.85	12.57	2.90	0.56	1.42	0.00	29.28	2.41
17	L	E	B	75.89	8.38	18.88	28.06	119.94	-131.21	-97.68	137.75	11.73	88.10	0.16	9.20	0.79	0.05	0.16	0.03	0.00	30.41	59.36
18	C	C	C	13.76	18.13	10.83	29.62	109.62	-114.37	-72.88	125.97	85.24	14.70	0.06	86.51	0.52	0.06	0.01	0.02	0.00	10.21	2.67
19	N	C	T	104.97	4.21	16.86	22.47	93.43	-151.80	-69.61	-26.07	99.75	0.08	0.17	0.41	3.04	96.34	0.00	0.14	0.00	0.05	0.02
20	R	C	T	137.16	4.56	15.79	21.55	99.75	45.29	-82.23	-40.47	99.83	0.02	0.15	0.05	1.47	98.37	0.00	0.09	0.00	0.01	0.01
21	C	C	T	61.25	6.21	13.95	21.75	102.44	20.26	-109.00	-13.71	99.86	0.03	0.12	0.14	1.87	97.89	0.00	0.08	0.00	0.01	0.00
22	G	C	C	44.38	4.55	15.44	21.33	95.06	-119.03	81.89	6.61	99.25	0.66	0.09	82.51	10.00	6.70	0.02	0.07	0.00	0.33	0.37
23	R	C	C	98.53	7.65	14.98	24.38	119.56	138.03	-78.71	146.68	90.65	9.31	0.05	84.18	6.87	0.17	0.01	0.03	0.00	5.64	3.09
24	R	E	E	121.73	8.80	18.86	28.37	117.42	-129.06	-99.36	134.86	15.15	84.79	0.05	13.58	0.83	0.04	0.05	0.02	0.00	44.25	41.24
25	S	C	C	19.49	15.85	17.51	33.63	133.82	148.26	-132.58	158.42	54.14	45.80	0.06	48.43	4.53	0.15	0.01	0.05	0.00	46.24	0.59
26	F	E	E	51.87	12.59	18.72	32.48	127.85	-146.83	-123.74	144.86	17.64	82.21	0.14	14.57	2.65	0.20	0.06	0.10	0.00	67.44	14.97
27	H	E	E	48.45	10.86	16.83	29.42	110.01	-121.08	-81.53	122.63	20.17	79.64	0.19	18.54	0.78	0.12	0.13	0.09	0.00	63.49	16.86
28	V	C	T	68.31	10.83	14.47	26.29	94.33	-154.60	-68.72	-31.04	91.02	3.07	5.91	3.94	8.26	78.23	0.27	6.28	0.00	2.54	0.48
29	Q	C	T	127.82	2.24	16.54	18.78	97.23	47.88	-77.96	-34.99	92.32	1.81	5.87	2.59	7.60	81.88	0.64	5.63	0.00	1.24	0.42
30	K	C	T	109.66	4.56	16.77	21.72	105.78	19.32	-111.47	15.92	94.71	0.45	4.84	4.36	6.71	82.73	0.51	5.24	0.00	0.31	0.14
31	K	C	T	99.32	11.55	15.14	27.08	96.88	-129.60	52.17	42.30	97.74	1.91	0.35	7.74	6.70	83.33	0.03	0.33	0.00	1.75	0.12
32	T	E	E	50.19	7.36	21.15	29.68	133.42	112.58	-130.12	154.94	3.58	96.40	0.02	2.90	0.56	0.04	0.02	0.01	0.00	62.86	33.61
33	C	E	E	12.61	19.45	13.34	33.44	111.73	-109.22	-75.07	131.26	26.35	73.63	0.02	26.51	0.30	0.03	0.01	0.01	0.00	62.72	10.42
34	S	C	T	54.20	8.57	18.61	28.28	94.09	-145.15	-69.34	-28.19	99.75	0.12	0.13	0.39	1.93	97.48	0.00	0.10	0.00	0.07	0.02
35	S	C	T	66.77	5.84	19.03	25.63	98.66	45.88	-82.73	-38.08	99.84	0.03	0.13	0.04	0.84	99.03	0.00	0.08	0.00	0.01	0.00
36	C	C	T	57.01	7.86	16.75	25.83	102.89	19.64	-109.89	-11.54	99.83	0.03	0.14	0.10	1.29	98.51	0.00	0.08	0.00	0.01	0.01
37	G	C	C	35.46	7.64	17.23	26.01	95.52	-118.35	82.18	6.23	98.58	1.30	0.12	80.85	9.60	8.12	0.04	0.06	0.00	0.55	0.78
38	Y	C	C	70.54	10.96	14.84	27.30	116.80	142.93	-76.42	141.80	90.45	9.39	0.16	80.84	9.92	0.20	0.12	0.06	0.00	6.25	2.62
39	P	E	B	62.68	7.62	19.61	27.87	112.30	-103.23	-67.05	147.70	15.18	84.03	0.79	11.12	1.06	0.27	0.56	0.21	0.01	19.46	67.32
40	A	C	C	35.44	14.11	13.24	27.55	112.46	-110.26	-72.86	145.16	73.40	4.42	22.18	62.28	6.87	4.66	6.16	15.92	0.00	3.07	1.04
41	A	C	G	61.34	7.49	15.15	23.60	101.64	-116.05	-75.22	-8.69	51.59	3.44	44.96	28.36	10.70	13.11	13.45	31.20	0.02	2.08	1.09
42	K	H	G	135.55	3.30	14.94	19.25	108.45	59.25	-85.25	93.79	44.63	8.01	47.36	23.03	10.16	13.47	16.15	29.81	0.09	5.09	2.20
43	M	C	C	95.75	8.06	11.26	20.37	110.00	54.91	-89.65	114.95	53.92	11.79	34.29	34.73	10.52	8.60	17.01	17.70	0.08	7.26	4.10
44	R	C	C	130.83	6.79	10.55	18.67	108.45	-162.34	-89.46	88.41	74.22	8.47	17.31	52.79	11.47	9.14	12.90	5.02	0.02	5.24	3.42
45	S	C	C	80.46	2.78	12.26	16.19	108.60	84.31	-91.88	81.64	78.51	5.24	16.25	34.99	24.86	18.92	11.84	4.37	0.04	3.07	1.91
46	H	C	S	125.74	4.18	10.97	16.54	107.60	40.36	-92.22	67.92	78.50	2.27	19.23	19.33	31.20	28.07	15.06	4.04	0.05	1.11	1.14
47	N	C	C	107.13	3.46	12.73	17.48	102.35	-87.92	-71.72	46.36	72.24	3.14	24.63	33.16	18.04	21.36	20.80	3.81	0.04	1.46	1.33
48	W	H	H	113.14	8.60	11.06	20.89	97.85	138.32	-79.68	-12.04	37.86	1.61	60.53	24.99	5.62	8.17	56.90	2.90	0.02	0.76	0.64
49	A	H	H	50.71	5.50	13.46	20.72	95.22	78.52	-65.26	-40.91	13.50	0.56	85.95	8.40	2.23	4.09	82.26	2.51	0.02	0.35	0.14
50	L	H	H	92.70	2.36	16.48	18.73	92.69	50.81	-65.38	-40.11	4.30	0.26	95.44	2.14	0.74	1.86	92.99	2.02	0.02	0.19	0.04
51	K	H	H	93.41	5.02	15.85	22.04	92.65	50.49	-65.79	-39.99	3.31	0.19	96.50	1.46	0.49	1.59	94.38	1.89	0.01	0.15	0.03
52	A	H	H	28.41	8.68	12.91	23.77	92.30	52.02	-64.10	-40.58	4.13	0.19	95.68	1.70	0.56	2.06	93.68	1.81	0.01	0.14	0.03
53	K	H	H	115.24	2.74	17.16	20.08	92.18	50.95	-65.56	-39.85	7.07	0.26	92.68	2.42	0.97	3.94	90.56	1.87	0.03	0.16	0.06
54	R	H	H	131.63	2.61	16.12	19.02	92.97	50.65	-66.42	-38.92	12.01	0.32	87.67	3.84	1.69	6.82	85.47	1.85	0.04	0.18	0.11
55	R	H	H	105.60	7.83	13.06	22.14	93.41	53.41	-67.79	-35.85	18.26	0.54	81.19	8.38	2.77	7.89	78.22	2.21	0.03	0.28	0.22
56	R	H	H	144.89	4.14	14.60	19.95	94.23	54.21	-70.06	-30.70	24.42	0.66	74.92	10.23	3.71	10.84	72.04	2.54	0.04	0.34	0.27
57	T	H	H	90.87	2.52	14.97	17.74	98.90	49.06	-81.22	-32.74	33.38	0.84	65.77	10.84	6.95	15.76	63.27	2.35	0.07	0.37	0.39
58	T	H	H	77.52	4.54	13.98	19.51	102.06	42.63	-89.90	-15.76	48.46	1.10	50.44	14.65	15.57	17.94	49.01	1.78	0.06	0.37	0.62
59	G	C	C	36.06	6.75	13.06	21.24	108.52	-127.35	73.43	-7.37	76.98	1.01	22.01	42.06	17.21	16.43	20.62	2.73	0.00	0.42	0.53
60	T	H	H	81.55	4.59	14.74	20.07	100.09	94.65	-79.40	-24.97	48.22	0.98	50.79	24.72	11.59	12.13	47.83	2.86	0.02	0.39	0.47
61	G	H	H	36.65	4.90	15.83	21.71	98.13	48.94	-53.59	-41.78	31.43	0.62	67.95	15.26	7.41	9.92	63.56	3.27	0.03	0.27	0.27
62	R	H	H	112.62	6.70	15.12	22.82	93.55	52.88	-66.44	-39.54	13.20	0.39	86.42	7.20	2.26	4.54	82.28	3.37	0.02	0.22	0.13
63	M	H	H	88.84	5.32	15.63	22.03	92.75	51.45	-66.34	-38.70	6.60	0.25	93.15	3.29	1.05	2.71	89.26	3.46	0.01	0.16	0.05
64	A	H	H	53.24	3.25	16.72	20.57	92.00	52.00	-64.04	-41.42	5.04	0.16	94.79	2.04	0.73	2.45	91.20	3.43	0.01	0.11	0.03
65	Y	H	H	106.54	5.01	16.00	22.17	92.50	50.09	-65.85	-40.41	5.09	0.12	94.79	1.64	0.61	2.86	91.08	3.69	0.01	0.08	0.03
66	L	H	H	72.48	6.91	14.77	23.01	92.18	51.67	-64.93	-40.47	5.30	0.09	94.61	1.52	0.61	3.06	91.15	3.57	0.01	0.06	0.02
67	K	H	H	116.61	2.91	16.77	20.05	91.91	52.27	-65.54	-39.64	10.90	0.12	88.99	1.72	0.97	7.94	86.56	2.68	0.02	0.06	0.04
68	H	H	H	103.64	2.93	16.65	19.82	92.78	49.73	-67.26	-39.36	11.88	0.14	87.98	2.04	1.41	8.38	86.03	1.98	0.04	0.07	0.05
69	V	H	H	58.00	6.25	14.36	22.26	92.10	51.52	-64.21	-42.69	8.02	0.22	91.76	4.11	1.54	2.73	89.00	2.44	0.01	0.12	0.06
70	T	H	H	62.72	4.90	14.60	20.85	92.01	50.77	-64.54	-40.19	6.42	0.24	93.33	3.53	0.68	2.38	89.52	3.65	0.00	0.20	0.04
71	R	H	H	130.86	2.26	15.50	17.90	92.30	51.49	-65.83	-39.51	4.89	0.15	94.96	1.48	0.60	2.70	89.18	5.88	0.01	0.12	0.03
72	R	H	H	127.40	3.47	14.26	18.71	92.90	50.85	-67.46	-38.36	7.06	0.21	92.73	1.83	0.86	4.20	87.41	5.47	0.02	0.16	0.05
73	F	H	H	102.70	6.17	11.63	19.13	96.55	47.68	-80.32	-27.18	17.09	0.55	82.35	5.25	2.45	9.60	76.96	5.14	0.06	0.32	0.21
74	K	H	H	136.61	2.67	13.10	16.65	96.06	66.50	-70.38	-28.94	31.41	1.06	67.53	7.89	5.30	19.15	62.52	3.96	0.14	0.52	0.53
75	N	C	H	108.44	2.27	13.00	15.79	100.09	36.81	-93.21	5.24	55.19	0.91	43.90	9.80	9.57	35.68	39.62	4.31	0.09	0.39	0.54
76	G	C	T	40.23	5.34	11.48	18.39	103.98	-113.60	77.76	-3.27	68.58	1.40	30.02	21.95	12.79	34.30	20.22	9.26	0.04	0.66	0.78
77	F	C	C	127.02	5.03	11.25	17.66	101.40	-11.85	-78.32	3.90	61.91	5.08	33.01	29.20	12.82	20.92	20.28	11.67	0.11	2.79	2.21
78	Q	C	C	116.78	4.01	10.48	16.05	105.30	93.40	-89.82	47.40	62.30	7.20	30.49	32.90	12.70	17.61	19.39	10.31	0.12	4.14	2.83
79	T	C	T	100.09	2.63	10.38	14.72	111.01	116.02	-87.69	128.12	72.27	3.40	24.33	20.14	14.89	37.35	16.47	7.61	0.07	2.03	1.43
80	G	C	T	59.25	1.56	11.46	13.72	102.00	7.82	83.83	-2.76	82.55	1.77	15.68	21.81	20.82	40.48	9.57	5.55	0.02	0.92	0.83
81	V	C	C	93.36	4.06	9.01	15.00	116.56	120.41	-94.44	135.49	77.37	5.18	17.45	51.16	19.10	7.06	13.06	4.48	0.02	2.68	2.45
82	A	C	C	76.66	3.09	9.51	14.43	114.44	-123.03	-77.62	141.31	72.00	7.69	20.31	55.97	8.92	6.45	14.34	6.31	0.01	4.49	3.51
83	K	C	C	150.87	2.50	8.74	13.15	112.30	-116.52	-80.74	136.41	70.20	5.28	24.51	47.49	12.06	10.50	13.12	11.50	0.02	3.20	2.10
84	A	C	C	85.44	2.36	8.29	12.44	112.11	-113.71	-81.83	137.45	74.54	4.09	21.36	45.68	15.19	13.79	10.23	11.09	0.02	2.47	1.54
85	Q	C	C	143.33	1.66	8.10	11.29	113.37	-125.66	-87.35	130.48	78.95	4.38	16.67	50.00	16.85	12.09	7.32	9.38	0.01	2.51	1.85
86	T	C	C	105.55	2.16	6.94	11.13	116.92	-143.77	-99.00	136.03	89.89	4.10	6.01	52.25	32.72	5.25	3.32	2.47	0.01	2.10	1.89
87	P	C	C	109.28	1.89	7.18	10.87	114.22	-117.08	-76.69	146.82	90.85	4.60	4.55	66.98	16.25	7.85	1.75	2.58	0.00	3.19	1.41
88	S	C	C	95.65	1.17	8.24	10.68	112.19	-109.22	-80.11	140.52	89.10	6.57	4.33	83.30	1.65	4.73	1.86	1.77	0.00	3.98	2.72
89	A	C	C	85.17	3.02	8.72	13.51	108.52	-118.38	-79.27	130.65	99.83	0.15	0.02	99.79	0.07	0.04	0.01	0.00	0.00	0.08	0.01