#	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	113.22	5.79	14.20	21.27	116.13	-151.20	-94.20	132.04	99.56	0.43	0.01	99.60	0.07	0.02	0.00	0.00	0.00	0.29	0.02
1	A	C	C	67.32	7.20	11.48	20.20	119.69	-150.56	-97.21	141.11	78.28	20.91	0.82	75.36	1.28	1.27	0.21	0.40	0.00	20.48	1.00
2	H	C	E	93.29	9.37	12.08	22.57	121.98	-160.60	-113.82	140.28	50.36	48.53	1.11	35.70	11.98	2.35	0.23	0.82	0.00	48.10	0.82
3	T	E	E	75.52	7.21	16.34	24.86	122.71	-147.40	-112.05	138.16	28.74	70.21	1.05	24.36	3.55	0.62	0.32	0.56	0.00	70.05	0.53
4	V	E	E	38.93	16.87	13.43	30.43	123.32	-164.83	-120.01	133.36	11.60	87.81	0.60	10.65	0.79	0.16	0.36	0.19	0.00	87.48	0.36
5	K	E	E	109.70	6.55	21.33	28.81	118.73	-154.20	-108.61	129.39	8.49	90.94	0.57	7.82	0.51	0.15	0.33	0.16	0.00	90.72	0.31
6	I	E	E	31.80	18.79	14.22	33.00	118.13	-161.53	-105.45	127.61	20.13	79.08	0.79	18.88	1.04	0.26	0.36	0.30	0.00	78.45	0.71
7	Y	C	E	86.29	10.34	18.41	29.40	115.05	-164.49	-98.67	146.60	56.95	39.82	3.23	38.85	14.48	3.68	0.74	2.27	0.00	39.01	0.97
8	D	C	S	96.32	6.24	20.30	27.03	100.95	-99.71	-83.92	-9.29	74.10	21.75	4.15	13.75	42.74	18.36	0.50	3.21	0.01	20.37	1.05
9	T	C	C	65.29	8.89	20.72	29.80	115.91	51.31	-108.59	113.65	72.85	21.75	5.40	36.13	19.88	17.71	0.91	4.49	0.01	19.37	1.49
10	C	C	C	15.97	22.27	14.14	35.72	113.56	121.43	-96.09	124.23	69.98	27.74	2.29	61.64	4.86	2.59	0.70	1.67	0.00	22.24	6.29
11	I	C	C	62.45	11.54	22.37	34.01	113.62	-155.59	-96.17	124.27	70.50	26.83	2.67	32.31	16.10	23.96	0.94	1.78	0.05	19.55	5.32
12	G	C	S	32.65	9.75	22.85	32.68	97.90	3.71	76.66	12.41	88.71	8.67	2.62	25.37	35.18	29.03	0.84	1.60	0.01	6.34	1.63
13	C	C	C	17.46	20.99	15.22	35.32	107.88	128.52	-87.42	71.77	83.22	2.65	14.13	65.36	10.98	5.89	12.42	2.73	0.00	1.21	1.40
14	T	H	H	70.41	8.76	21.22	30.35	94.74	81.04	-66.12	-31.57	47.61	1.24	51.16	12.30	14.98	21.73	45.31	4.38	0.14	0.54	0.62
15	Q	H	H	89.40	6.46	23.81	30.31	93.26	55.67	-70.88	-33.37	30.33	2.49	67.18	9.23	7.27	16.05	59.42	5.26	0.39	1.59	0.79
16	C	H	H	6.38	23.41	16.75	40.03	92.52	58.18	-65.33	-41.13	10.74	3.87	85.39	6.67	2.00	3.66	75.84	7.63	0.11	3.59	0.51
17	V	H	H	28.41	19.27	18.38	36.85	91.76	54.34	-64.20	-36.38	6.20	5.38	88.41	2.86	1.16	2.81	78.66	8.24	0.12	5.83	0.33
18	R	H	H	157.58	2.69	23.64	26.43	91.65	54.58	-67.46	-30.05	8.96	4.79	86.25	2.58	1.42	5.58	77.96	6.76	0.30	4.94	0.45
19	A	H	H	37.28	11.88	18.89	31.24	94.19	52.38	-80.78	-18.64	20.34	2.86	76.80	2.88	3.74	15.32	70.92	3.43	1.09	1.52	1.09
20	C	C	C	8.63	24.04	10.41	33.76	111.03	85.40	-93.71	112.66	97.56	1.64	0.80	69.22	26.99	1.37	0.70	0.17	0.00	0.74	0.82
21	P	C	T	91.93	3.83	20.64	25.25	93.21	-159.03	-67.11	-18.47	91.41	1.05	7.54	19.99	20.05	50.91	3.68	4.27	0.00	0.71	0.38
22	T	C	T	59.25	9.62	17.50	27.79	100.01	51.37	-97.38	-1.62	88.03	1.72	10.24	6.63	27.29	54.29	4.61	5.32	0.02	1.11	0.73
23	D	C	C	83.21	9.51	20.66	30.42	95.73	-115.44	56.79	46.77	82.26	7.59	10.15	47.92	18.00	16.44	3.09	7.24	0.01	5.96	1.32
24	V	C	C	14.62	20.39	18.24	38.64	97.35	145.64	-84.99	-24.69	72.61	20.66	6.73	33.85	31.94	7.12	2.67	3.71	0.02	19.53	1.17
25	L	E	E	8.72	24.25	16.60	40.96	127.88	42.35	-126.49	136.98	24.67	69.41	5.91	16.23	7.39	3.63	2.50	2.71	0.01	66.37	1.15
26	E	E	E	86.40	7.60	25.71	33.96	127.81	-170.81	-124.41	143.34	13.73	83.34	2.93	11.04	2.07	1.03	1.21	1.23	0.00	82.90	0.51
27	M	E	E	54.30	18.57	16.26	34.23	115.66	-129.20	-90.26	130.28	15.23	83.24	1.52	13.08	2.12	0.67	0.84	0.70	0.00	80.70	1.89
28	V	E	E	39.16	11.40	16.69	29.74	122.05	-163.63	-114.49	134.39	47.91	51.54	0.55	41.61	4.83	0.57	0.19	0.31	0.00	51.49	0.99
29	P	C	C	77.59	5.61	17.94	24.44	112.91	-112.23	-66.70	141.73	68.05	29.79	2.15	56.58	7.08	3.01	0.50	1.52	0.00	29.97	1.33
30	W	C	C	87.17	14.98	9.31	23.78	111.86	-149.21	-97.10	116.48	68.02	22.00	9.98	40.07	14.84	13.77	2.46	7.49	0.07	13.45	7.85
31	D	C	T	120.61	1.72	14.30	16.46	100.17	-5.95	-21.61	54.35	85.06	4.97	9.97	10.13	17.07	57.38	1.66	8.59	0.02	3.37	1.78
32	G	C	T	62.84	1.16	13.66	14.64	97.23	-51.64	81.88	2.25	89.38	1.70	8.92	9.71	19.89	59.40	1.36	7.87	0.00	1.12	0.64
33	C	C	C	45.72	11.99	7.56	19.84	121.23	115.68	-97.52	147.57	74.34	19.73	5.93	45.22	20.71	8.14	2.20	3.84	0.03	9.12	10.75
34	K	C	C	142.04	2.13	16.28	18.67	113.83	-122.99	-87.28	138.66	72.79	16.49	10.72	44.63	14.70	13.55	3.68	7.20	0.05	10.69	5.50
35	A	C	T	62.94	9.94	12.18	22.74	109.11	-100.44	-66.82	135.34	72.92	8.72	18.36	12.05	13.67	47.37	4.40	13.70	0.09	6.32	2.41
36	G	C	T	44.64	6.32	16.59	23.66	101.16	26.45	83.54	-3.81	72.59	10.13	17.28	17.04	13.45	43.14	3.51	13.02	0.04	8.29	1.51
37	Q	C	C	96.33	7.16	17.58	25.43	104.56	99.68	-89.25	13.85	61.25	23.22	15.53	42.03	11.34	8.60	4.30	11.11	0.03	19.78	2.81
38	I	E	E	47.63	17.51	12.77	29.38	115.44	91.98	-96.24	127.75	34.57	59.35	6.08	25.29	5.62	2.81	4.57	2.56	0.07	42.85	16.22
39	A	C	E	49.13	10.46	17.76	28.58	113.92	-158.62	-95.71	141.34	49.79	44.79	5.42	35.74	10.27	5.06	2.91	2.66	0.03	39.99	3.35
40	S	C	C	63.72	7.74	18.87	27.36	120.73	-127.13	-109.96	143.45	65.57	31.70	2.73	42.38	19.55	5.10	1.02	1.76	0.01	26.69	3.49
41	S	C	C	42.74	13.89	15.34	29.33	121.55	-125.09	-103.88	140.19	88.62	11.06	0.32	70.72	17.44	0.63	0.13	0.20	0.00	9.74	1.14
42	P	C	C	51.41	12.71	15.46	28.70	112.00	-107.28	-67.30	149.96	85.54	9.59	4.87	70.78	9.18	5.17	1.89	3.01	0.00	7.57	2.40
43	R	C	C	119.24	7.87	17.55	26.11	112.00	-117.06	-85.86	127.88	82.31	10.57	7.12	69.10	7.65	4.60	3.10	4.19	0.00	5.96	5.40
44	T	C	G	59.15	14.39	13.10	26.90	101.02	-158.20	-77.82	-21.15	50.09	5.28	44.63	33.37	8.51	9.18	6.12	38.10	0.00	3.61	1.11
45	E	H	G	135.79	3.25	17.91	21.86	97.16	73.44	-76.61	-18.98	40.29	5.75	53.96	14.08	10.55	19.09	6.79	44.05	0.04	4.25	1.15
46	D	H	G	85.27	6.56	18.02	25.28	101.27	49.64	-94.25	16.45	39.96	6.54	53.51	16.73	9.50	16.74	5.96	44.99	0.04	4.79	1.25
47	C	C	C	21.08	20.78	11.74	31.51	112.72	128.42	-88.89	121.14	72.99	14.98	12.03	58.01	8.77	5.35	4.98	7.61	0.02	10.39	4.87
48	V	C	T	66.16	9.00	21.33	30.75	115.41	-164.32	-100.65	129.33	68.89	22.20	8.91	24.31	13.86	32.63	5.21	3.57	0.29	13.78	6.35
49	G	C	T	29.28	9.82	20.88	31.04	100.09	9.26	84.35	3.25	81.91	10.44	7.65	20.14	24.75	38.43	3.75	3.36	0.08	6.91	2.57
50	C	C	C	18.64	20.15	13.27	32.68	102.41	133.74	-74.96	39.54	89.45	3.05	7.49	79.39	7.41	2.33	6.52	1.38	0.00	1.51	1.46
51	K	H	H	132.37	3.23	20.73	24.63	93.21	71.59	-62.58	-39.79	29.96	0.89	69.15	7.94	7.63	16.34	62.59	4.36	0.25	0.45	0.43
52	R	H	H	119.28	5.39	20.68	26.50	92.68	50.95	-67.24	-37.66	22.95	1.29	75.77	5.00	4.76	14.87	68.50	5.14	0.39	0.89	0.46
53	C	H	H	8.08	22.30	13.53	35.57	93.15	51.61	-69.34	-37.89	12.95	1.79	85.26	6.25	2.63	5.53	77.57	6.06	0.10	1.48	0.39
54	E	H	H	82.87	12.82	17.34	29.86	92.04	57.90	-63.79	-37.40	11.02	1.85	87.13	4.66	1.90	5.41	79.62	6.30	0.12	1.64	0.35
55	T	H	H	101.87	1.45	21.52	21.40	93.46	51.21	-73.52	-28.89	16.88	1.18	81.93	4.13	2.21	11.05	76.57	4.61	0.16	0.97	0.30
56	A	H	H	41.09	10.60	16.64	28.00	95.96	50.04	-83.01	-24.77	27.42	1.13	71.45	4.42	5.68	18.97	66.89	2.58	0.35	0.52	0.60
57	C	C	C	14.98	20.72	9.78	29.56	112.20	59.22	-108.80	106.32	98.15	0.98	0.87	65.36	31.51	1.26	0.68	0.19	0.00	0.34	0.65
58	P	C	T	91.52	3.70	17.45	22.03	94.40	-164.65	-67.14	-19.47	87.60	1.43	10.98	28.71	17.50	41.54	5.26	5.52	0.00	0.98	0.48
59	T	C	T	76.70	5.53	15.75	22.28	103.56	47.91	-96.70	-1.28	79.96	3.27	16.77	10.96	24.72	45.14	8.30	7.38	0.04	2.57	0.89
60	D	C	C	92.69	7.48	17.16	25.50	97.63	-117.28	42.77	44.94	76.54	7.14	16.32	42.73	17.74	16.21	7.93	8.41	0.01	5.57	1.40
61	F	C	C	61.43	14.23	15.57	29.94	100.50	143.96	-90.86	-13.01	63.08	20.81	16.12	41.98	13.97	7.16	9.78	6.25	0.02	18.81	2.03
62	L	E	E	40.81	18.46	14.29	32.05	119.78	72.54	-105.92	129.20	34.00	52.64	13.37	24.46	6.20	4.12	9.19	4.55	0.05	49.01	2.44
63	S	E	E	52.67	7.79	20.73	29.27	124.18	-170.47	-119.60	138.32	25.34	65.86	8.81	19.80	3.25	1.91	6.17	2.59	0.01	65.35	0.92
64	I	E	E	55.22	16.79	13.91	30.36	121.86	-160.43	-115.96	130.62	22.98	70.15	6.87	18.70	2.12	0.95	5.64	1.26	0.00	70.78	0.54
65	R	E	E	124.74	5.98	17.46	24.89	120.67	-165.67	-114.39	131.33	19.35	74.87	5.78	15.84	1.47	0.71	5.03	0.96	0.00	75.58	0.40
66	V	E	E	59.38	11.54	12.84	25.52	119.80	-160.88	-110.47	129.24	19.67	75.05	5.27	15.87	1.64	0.82	4.47	0.98	0.00	75.79	0.43
67	Y	E	E	120.80	5.86	13.00	20.71	117.36	-160.80	-107.59	126.47	26.24	68.86	4.89	21.06	3.06	1.62	4.00	1.30	0.00	68.01	0.94
68	L	C	E	99.58	5.59	10.48	17.87	112.49	-167.22	-105.80	117.87	48.58	45.90	5.53	28.84	11.72	8.50	3.50	2.35	0.01	43.81	1.27
69	G	C	C	52.92	2.35	11.54	14.72	115.90	-52.96	95.46	-165.87	80.77	12.85	6.38	32.07	21.71	27.09	3.07	3.08	0.01	11.92	1.06
70	A	C	T	92.78	1.58	10.31	12.75	106.92	-29.30	-87.67	70.75	82.24	5.57	12.19	27.47	24.80	30.47	6.26	5.38	0.01	4.57	1.03
71	E	C	C	138.90	2.52	9.38	13.65	116.56	99.27	-97.72	132.97	63.73	19.93	16.34	30.11	18.49	16.13	9.91	5.95	0.09	17.08	2.25
72	T	C	C	91.84	4.01	9.19	15.31	120.08	-157.62	-106.82	137.89	52.91	31.29	15.80	38.30	8.29	5.90	11.29	4.94	0.03	28.92	2.32
73	T	C	E	88.83	4.73	9.31	16.05	118.56	-158.54	-108.02	135.06	43.57	36.03	20.40	31.08	6.67	5.71	14.77	6.07	0.04	33.58	2.08
74	R	C	E	157.05	3.29	10.33	15.62	118.57	-158.61	-105.78	136.85	40.32	36.25	23.43	25.64	7.51	7.89	15.72	7.56	0.08	33.85	1.76
75	S	C	E	78.74	3.86	9.48	15.34	117.67	-147.00	-102.05	137.53	44.80	32.17	23.03	27.32	8.25	9.83	14.70	8.18	0.09	29.75	1.89
76	M	C	C	129.10	3.76	9.21	14.71	110.91	-160.03	-99.88	112.72	55.13	26.56	18.31	29.26	11.32	15.32	11.27	6.84	0.11	23.73	2.14
77	G	C	C	51.26	3.30	10.05	14.83	113.93	-120.06	86.45	159.50	65.65	24.87	9.48	32.06	15.63	18.99	4.24	4.61	0.06	22.71	1.71
78	L	C	C	120.56	3.33	8.07	13.21	112.96	-121.66	-94.34	127.89	61.16	27.91	10.93	40.70	10.31	10.59	5.13	5.56	0.05	25.03	2.63
79	A	C	C	80.90	2.98	8.34	13.21	117.54	-158.07	-102.32	135.83	67.38	24.00	8.62	54.46	3.78	8.64	4.69	3.40	0.01	21.54	3.48
80	Y	C	C	152.00	4.95	10.61	17.21	114.67	-145.04	-99.94	129.56	98.68	1.20	0.12	98.59	0.20	0.15	0.06	0.01	0.00	0.90	0.08