#	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	118.01	5.59	11.30	18.29	113.89	-167.92	-96.41	131.65	99.75	0.21	0.04	99.64	0.14	0.06	0.02	0.00	0.00	0.11	0.03
1	S	C	C	78.48	3.53	9.96	15.27	115.07	-151.09	-95.01	139.00	92.03	4.82	3.15	86.32	1.45	4.86	1.62	0.95	0.00	3.04	1.75
2	T	C	C	98.81	3.36	9.17	14.27	110.35	-149.39	-94.87	98.03	85.34	7.67	6.99	54.95	22.36	8.12	4.59	2.47	0.01	3.79	3.70
3	S	C	C	67.54	4.48	9.93	16.09	113.44	-124.75	-87.98	127.68	79.77	2.84	17.39	49.97	23.42	5.89	15.68	2.56	0.01	1.32	1.16
4	P	C	C	84.82	4.29	11.76	17.46	102.11	-115.00	-67.77	-30.22	60.81	1.27	37.92	35.61	8.91	15.82	33.90	4.59	0.01	0.66	0.50
5	G	C	H	40.57	4.78	12.56	18.52	97.55	53.11	-64.99	-39.47	49.45	2.04	48.51	29.53	7.96	13.25	41.96	5.40	0.04	1.12	0.74
6	L	H	H	94.18	4.12	12.49	17.83	94.98	51.53	-68.75	-37.32	29.23	4.70	66.08	19.93	5.22	6.75	55.26	8.33	0.05	3.51	0.95
7	A	H	H	58.90	3.69	13.35	18.20	94.12	54.00	-67.11	-39.89	22.46	6.75	70.79	14.24	4.18	6.43	59.17	9.04	0.08	5.98	0.88
8	F	H	H	118.99	3.23	13.93	17.94	94.09	50.99	-67.92	-37.35	20.81	7.62	71.57	12.39	3.89	6.61	59.29	9.95	0.09	6.86	0.91
9	A	H	H	56.67	4.39	12.75	18.54	93.42	54.65	-66.05	-38.40	21.53	6.12	72.35	11.30	4.03	7.98	61.24	9.15	0.10	5.39	0.79
10	N	H	H	95.74	3.09	13.82	17.78	94.37	54.71	-67.38	-35.30	28.44	5.21	66.35	14.37	4.50	10.93	56.27	8.39	0.10	4.64	0.81
11	L	H	H	100.10	3.22	12.89	17.12	94.39	54.64	-68.19	-37.15	23.99	7.59	68.42	14.68	4.09	6.96	56.12	10.22	0.07	6.98	0.89
12	T	H	H	77.55	4.19	12.45	17.95	95.94	53.54	-71.80	-33.34	22.95	11.06	65.99	15.06	3.68	5.78	52.50	11.37	0.06	10.50	1.05
13	L	H	H	106.24	3.22	12.24	16.70	95.30	59.54	-70.57	-29.85	24.30	8.77	66.93	12.93	3.96	8.18	49.33	16.38	0.10	8.17	0.94
14	L	H	H	112.04	3.08	12.07	16.24	97.00	57.76	-79.17	-18.34	31.32	8.05	60.63	14.07	5.27	12.79	43.69	15.98	0.19	6.79	1.22
15	L	C	H	96.90	5.17	11.07	17.77	104.17	74.56	-84.61	20.87	52.93	6.23	40.84	20.08	10.45	23.27	29.76	10.09	0.30	4.25	1.80
16	D	C	C	99.76	4.01	12.87	17.98	104.31	84.22	-87.29	44.63	71.21	3.29	25.50	32.90	13.69	24.88	19.37	6.01	0.04	1.98	1.12
17	V	C	C	78.33	6.31	11.12	19.03	112.45	112.96	-91.27	126.58	65.54	2.12	32.34	32.78	19.16	14.45	24.64	6.93	0.04	0.99	0.99
18	P	C	T	81.57	5.05	13.40	19.69	103.19	-111.90	-70.12	21.86	65.35	1.05	33.60	20.64	10.11	34.68	25.54	7.89	0.04	0.52	0.57
19	Q	C	H	102.81	5.88	13.79	20.63	99.18	61.95	-78.00	-21.54	50.18	1.29	48.53	17.71	8.26	25.43	38.21	8.90	0.14	0.66	0.70
20	L	H	H	78.47	6.05	14.43	21.67	98.70	71.34	-71.48	-36.56	24.01	0.59	75.40	15.24	5.94	3.98	72.66	1.74	0.01	0.25	0.18
21	P	H	H	61.30	6.48	15.25	23.05	94.77	54.89	-66.22	-37.82	11.15	0.42	88.42	7.84	1.35	2.69	86.62	1.15	0.01	0.24	0.10
22	A	H	H	50.83	6.06	15.58	22.74	93.71	54.10	-66.08	-40.09	2.42	0.22	97.36	1.36	0.33	0.90	96.49	0.72	0.00	0.17	0.03
23	I	H	H	90.03	3.77	17.36	21.44	92.75	50.91	-65.93	-41.69	1.10	0.23	98.67	0.61	0.13	0.43	98.18	0.43	0.00	0.21	0.02
24	W	H	H	124.56	4.72	17.51	22.87	92.60	49.42	-65.80	-41.63	0.87	0.21	98.92	0.43	0.10	0.39	98.54	0.33	0.00	0.19	0.01
25	A	H	H	41.53	7.05	16.03	24.48	92.51	50.26	-65.34	-41.17	0.99	0.14	98.87	0.40	0.11	0.50	98.60	0.26	0.00	0.12	0.01
26	V	H	H	66.60	4.40	17.49	22.73	92.41	50.55	-64.76	-41.85	1.08	0.05	98.87	0.31	0.10	0.63	98.72	0.19	0.00	0.04	0.00
27	N	H	H	79.18	3.06	18.16	21.25	92.34	49.82	-65.13	-40.80	2.02	0.03	97.95	0.39	0.15	1.40	97.82	0.22	0.00	0.02	0.01
28	A	H	H	44.18	5.56	16.14	23.12	92.17	50.22	-65.04	-41.52	1.92	0.03	98.05	0.40	0.16	1.27	97.86	0.28	0.00	0.02	0.01
29	W	H	H	114.10	6.55	16.03	23.72	92.39	50.48	-64.89	-41.41	1.13	0.02	98.85	0.23	0.10	0.72	98.60	0.32	0.00	0.01	0.00
30	R	H	H	141.74	2.12	17.72	19.52	92.40	50.88	-65.31	-40.13	1.77	0.01	98.22	0.20	0.12	1.38	97.83	0.46	0.00	0.01	0.00
31	E	H	H	108.50	2.44	17.05	19.37	92.73	49.01	-66.46	-39.81	4.37	0.01	95.62	0.31	0.24	3.76	95.07	0.60	0.00	0.01	0.00
32	L	H	H	71.98	6.38	15.05	22.67	92.64	49.76	-67.00	-40.06	4.81	0.02	95.17	0.69	0.46	3.46	94.84	0.52	0.00	0.01	0.01
33	N	H	H	82.08	4.10	16.14	21.15	92.18	52.51	-63.91	-40.72	4.11	0.02	95.87	0.76	0.34	2.78	95.31	0.79	0.00	0.01	0.00
34	G	H	H	36.63	2.26	16.81	18.83	91.95	50.72	-64.31	-41.46	4.36	0.02	95.61	0.59	0.36	3.27	94.71	1.04	0.01	0.01	0.01
35	L	H	H	82.11	3.66	16.08	20.50	92.12	49.97	-65.11	-41.23	1.72	0.01	98.27	0.37	0.15	1.05	97.71	0.71	0.00	0.01	0.00
36	F	H	H	92.97	5.22	14.72	21.39	92.07	50.73	-64.88	-40.55	1.28	0.02	98.70	0.38	0.13	0.68	98.33	0.47	0.00	0.01	0.00
37	T	H	H	76.64	2.24	16.31	18.37	92.14	50.58	-65.08	-40.24	1.70	0.02	98.27	0.40	0.15	1.02	97.94	0.47	0.00	0.01	0.00
38	E	H	H	103.65	2.36	15.49	17.99	92.24	50.61	-65.36	-39.99	2.23	0.03	97.74	0.47	0.21	1.44	97.23	0.63	0.00	0.02	0.01
39	M	H	H	87.88	5.27	13.21	19.89	92.70	50.58	-66.30	-38.83	3.82	0.08	96.10	0.95	0.45	2.37	95.20	0.96	0.01	0.05	0.02
40	K	H	H	119.59	3.56	13.73	18.30	92.93	52.19	-66.48	-36.44	10.66	0.31	89.03	2.79	1.30	6.79	87.22	1.57	0.04	0.17	0.11
41	T	H	H	94.77	1.60	13.83	15.27	94.25	51.02	-71.89	-29.79	23.56	0.66	75.78	6.04	3.26	14.87	72.99	2.15	0.08	0.33	0.29
42	L	H	H	96.73	4.03	10.81	16.32	98.12	54.83	-79.00	-16.09	39.02	1.97	59.01	16.68	6.34	17.73	54.81	2.59	0.08	0.91	0.87
43	A	C	H	69.34	4.51	10.22	16.24	102.69	90.86	-78.54	34.17	61.88	2.20	35.92	22.13	9.51	29.73	34.02	2.60	0.06	1.00	0.96
44	G	C	T	57.86	1.75	12.35	14.66	102.02	17.30	74.25	0.64	85.71	1.12	13.17	30.86	13.05	42.08	10.49	2.47	0.00	0.51	0.54
45	T	C	C	87.14	3.86	9.26	14.84	107.26	96.17	-90.01	56.36	92.07	1.02	6.91	61.54	17.89	12.73	4.16	2.58	0.00	0.46	0.64
46	S	C	C	81.72	2.77	10.37	14.62	102.41	103.45	-82.92	6.43	88.07	1.59	10.34	56.90	17.97	13.33	4.22	5.92	0.00	0.82	0.83
47	D	C	C	105.33	2.86	11.07	15.31	103.23	72.91	-85.51	13.98	78.83	4.41	16.76	52.98	13.28	12.77	5.52	11.16	0.00	2.76	1.52
48	L	C	C	97.28	5.66	9.63	16.94	108.54	79.78	-88.27	97.23	69.41	12.17	18.43	39.35	15.77	15.18	6.08	11.94	0.06	8.29	3.33
49	L	C	C	102.68	4.78	10.79	17.10	107.32	97.82	-91.92	63.64	63.10	19.58	17.32	33.28	17.36	13.30	6.68	10.13	0.32	11.68	7.25
50	Y	C	C	124.05	5.55	10.72	17.94	114.79	58.94	-100.56	118.94	82.12	11.18	6.69	50.55	26.40	5.43	2.65	3.86	0.02	6.75	4.33
51	P	C	T	84.45	5.19	11.48	18.18	99.77	-122.56	-69.97	-2.97	84.06	3.22	12.72	29.52	13.65	41.77	3.66	8.38	0.01	1.99	1.03
52	S	C	T	74.97	4.13	11.84	17.31	101.41	54.86	-89.82	9.23	79.77	4.80	15.42	25.88	16.01	39.10	3.97	10.40	0.03	2.68	1.92
53	N	C	C	83.47	7.42	9.57	18.39	109.35	100.29	-92.32	106.44	77.33	7.16	15.52	48.28	17.10	12.05	4.16	11.39	0.01	4.29	2.70
54	R	C	C	161.69	3.09	12.01	16.57	104.64	145.90	-90.24	15.95	74.00	15.03	10.97	44.70	16.94	12.58	3.67	7.24	0.05	9.84	4.99
55	Y	C	C	142.76	5.11	10.59	17.34	113.72	89.46	-98.37	120.66	74.34	20.05	5.61	47.61	20.12	6.25	2.20	3.53	0.04	11.77	8.48
56	N	C	C	89.56	5.66	11.05	18.45	112.50	-151.44	-108.78	109.36	88.67	10.78	0.55	71.41	16.03	1.14	0.20	0.39	0.00	8.26	2.58
57	P	C	C	83.13	5.58	10.66	18.11	110.68	-141.72	-70.14	140.84	82.69	11.65	5.66	61.77	9.27	11.06	1.70	4.00	0.00	8.49	3.70
58	Q	C	C	125.41	3.71	9.98	15.48	107.05	-130.30	-86.87	87.24	85.40	8.74	5.87	52.80	19.36	13.17	1.82	3.98	0.01	4.34	4.52
59	N	C	C	83.10	4.35	10.71	16.66	123.34	111.34	-115.39	155.13	86.38	8.46	5.15	60.64	19.63	5.19	2.67	2.47	0.00	3.53	5.87
60	E	C	T	147.69	2.61	10.50	14.74	95.83	-120.39	-71.34	-14.90	82.17	1.15	16.68	9.95	28.16	45.46	9.12	6.00	0.04	0.55	0.71
61	K	C	T	149.28	1.79	12.24	14.60	100.26	63.02	-86.70	-8.14	78.37	4.50	17.13	12.23	22.41	44.69	9.73	6.16	0.25	2.51	2.01
62	T	C	C	64.14	7.16	9.61	18.33	110.62	70.82	-91.15	122.14	64.31	19.76	15.93	25.14	24.54	15.33	10.18	4.71	0.51	8.08	11.52
63	N	C	C	72.22	7.63	10.00	19.03	111.47	-117.23	-88.46	118.10	75.68	11.06	13.26	52.31	12.92	10.20	8.24	5.02	0.04	6.52	4.76
64	R	C	T	165.92	2.79	11.82	16.10	97.22	-152.41	-73.21	-14.93	73.81	7.56	18.63	24.72	13.44	36.76	7.83	9.73	0.17	4.10	3.25
65	M	C	T	124.59	3.10	10.65	15.06	98.54	56.79	-86.40	2.09	84.16	3.11	12.73	13.76	15.20	55.20	5.02	7.48	0.06	1.70	1.59
66	G	C	S	50.32	3.41	11.76	16.68	101.75	-97.82	84.57	5.66	89.98	4.22	5.79	26.67	32.37	31.39	1.23	4.37	0.01	2.21	1.75
67	R	C	C	128.02	4.42	10.92	17.28	118.31	127.64	-93.07	140.65	90.74	8.14	1.11	60.92	28.60	1.53	0.58	0.55	0.00	4.00	3.82
68	P	C	C	87.26	4.57	12.38	18.66	112.87	-104.92	-67.63	146.06	83.23	13.43	3.34	71.96	7.30	2.65	1.79	1.60	0.00	6.83	7.87
69	R	C	C	120.97	8.49	10.19	19.85	113.58	-127.37	-87.11	135.72	82.40	9.66	7.94	66.59	10.75	4.50	3.78	4.24	0.00	5.76	4.37
70	K	C	C	138.07	3.27	14.09	18.48	105.98	-137.42	-80.33	74.55	71.19	14.56	14.26	48.74	12.75	8.88	5.99	8.41	0.03	8.41	6.79
71	Y	C	C	117.12	8.37	10.41	19.77	105.03	59.82	-88.29	36.90	68.60	13.59	17.81	39.43	13.91	15.76	5.88	11.39	0.09	7.89	5.64
72	N	C	C	90.39	6.29	10.67	18.30	105.84	60.05	-95.97	33.76	76.76	8.48	14.76	39.99	18.88	18.70	4.34	9.84	0.04	4.88	3.33
73	H	C	C	133.68	3.10	11.15	15.65	104.77	101.96	-95.52	28.39	81.32	5.97	12.70	33.24	28.61	20.63	3.75	7.93	0.03	2.99	2.83
74	G	C	T	48.27	3.69	11.23	16.28	114.11	-37.05	57.36	-17.58	86.70	2.13	11.17	26.20	29.30	31.82	2.12	8.47	0.00	1.05	1.04
75	E	C	C	145.86	2.09	12.75	15.59	102.50	-11.76	-85.39	5.97	83.56	4.05	12.40	37.52	21.61	25.04	2.40	9.58	0.01	2.02	1.82
76	W	C	C	115.13	8.98	8.67	18.70	114.05	104.74	-95.12	122.75	78.88	8.21	12.91	53.19	15.24	9.76	3.29	10.02	0.00	4.29	4.20
77	M	C	T	116.90	4.41	13.03	18.84	99.57	-159.98	-76.90	-21.91	79.90	5.98	14.12	28.48	15.14	37.34	3.03	10.27	0.03	3.28	2.44
78	F	C	T	125.19	5.51	10.54	17.46	107.36	47.65	-94.14	66.93	80.30	7.42	12.28	21.56	16.55	43.04	2.50	9.16	0.04	4.21	2.95
79	G	C	C	47.23	4.57	11.02	17.10	110.67	6.35	84.72	51.12	83.30	9.28	7.41	41.23	23.76	18.74	1.45	6.02	0.01	5.30	3.50
80	N	C	C	109.75	3.14	10.99	15.83	115.89	-76.22	-96.33	138.61	84.47	13.54	1.99	49.63	28.93	6.06	0.50	1.66	0.00	9.09	4.12
81	S	C	C	81.54	3.45	10.12	15.47	113.16	-118.74	-85.96	135.60	84.87	14.14	0.99	77.86	3.81	2.75	0.29	0.68	0.00	9.22	5.38
82	Y	C	C	136.98	6.91	10.29	18.62	110.67	-153.08	-95.98	127.83	99.45	0.52	0.02	99.38	0.19	0.06	0.01	0.00	0.00	0.27	0.08