#	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	124.39	3.89	10.55	16.25	114.06	-165.98	-96.95	126.86	99.81	0.14	0.04	99.64	0.16	0.08	0.02	0.00	0.00	0.07	0.02
1	G	C	C	48.95	3.25	8.96	13.93	118.21	-172.30	-109.36	165.29	92.62	1.06	6.32	88.65	1.15	3.68	4.26	1.20	0.00	0.54	0.52
2	H	C	C	151.55	1.73	8.15	11.26	108.12	-112.24	-87.75	102.60	72.33	1.56	26.10	48.58	10.06	13.61	17.72	8.44	0.00	0.80	0.77
3	H	C	C	143.47	2.16	7.93	11.59	107.82	90.38	-88.36	87.09	57.30	1.50	41.20	33.84	10.15	13.53	27.87	13.10	0.01	0.78	0.72
4	H	H	H	136.29	2.80	8.50	12.92	108.38	82.32	-90.77	93.34	43.78	1.43	54.79	26.89	7.92	9.41	37.81	16.61	0.02	0.78	0.57
5	H	H	H	134.45	2.84	8.74	13.17	108.64	77.96	-91.48	105.24	39.99	1.54	58.47	25.15	6.75	8.68	42.05	15.90	0.02	0.88	0.56
6	H	H	H	139.69	2.42	9.00	12.90	106.78	72.09	-89.08	60.80	42.06	1.77	56.18	25.25	7.04	10.41	41.50	14.10	0.02	1.01	0.66
7	H	C	H	135.27	2.94	8.72	13.32	109.38	66.05	-91.86	94.93	50.36	2.35	47.29	30.48	8.90	12.05	35.96	10.34	0.03	1.24	0.99
8	H	C	C	139.52	2.63	8.95	13.28	111.74	59.63	-91.78	119.33	64.66	2.73	32.61	42.40	9.64	12.71	26.48	6.10	0.01	1.39	1.27
9	H	C	C	145.80	2.29	8.76	12.70	110.79	-152.15	-91.73	113.72	74.68	2.04	23.27	41.10	13.07	20.69	18.10	5.04	0.01	1.00	0.99
10	G	C	C	59.28	1.68	9.97	12.78	109.95	-24.20	73.85	95.20	82.85	1.30	15.85	35.65	17.46	30.66	9.78	5.16	0.01	0.60	0.69
11	G	C	C	54.96	2.40	9.80	13.65	113.38	-1.43	-94.33	165.99	83.46	1.92	14.62	44.25	19.64	20.10	7.90	6.15	0.01	0.87	1.10
12	A	C	C	79.56	3.17	9.13	14.10	112.60	-96.86	-87.47	137.56	78.60	2.67	18.73	47.28	16.11	15.40	11.10	7.37	0.01	1.27	1.44
13	S	C	C	78.87	3.22	10.02	14.96	113.06	-137.59	-91.10	133.54	76.66	2.29	21.05	42.08	16.15	18.95	13.43	7.11	0.02	1.08	1.20
14	N	C	C	113.79	3.25	10.76	15.53	104.89	-145.41	-89.37	32.60	73.34	1.62	25.03	35.44	20.47	18.15	17.90	6.41	0.03	0.67	0.94
15	N	C	C	96.30	4.24	11.05	16.86	107.71	114.09	-89.66	91.12	67.46	1.31	31.24	37.40	17.61	12.56	26.67	4.53	0.02	0.51	0.71
16	T	H	H	87.96	3.58	12.25	17.09	97.27	74.91	-72.14	-28.20	42.58	0.88	56.55	25.37	9.69	8.59	52.37	3.22	0.01	0.36	0.39
17	A	H	H	65.48	2.58	13.79	16.99	94.00	58.02	-66.25	-38.91	28.03	0.54	71.43	16.05	5.57	7.27	68.21	2.43	0.01	0.25	0.21
18	S	H	H	56.31	3.70	14.20	18.98	93.84	51.79	-66.78	-39.65	18.89	0.55	80.56	12.46	3.12	4.47	77.56	1.92	0.01	0.28	0.18
19	I	H	H	79.45	4.69	14.01	20.01	92.69	50.67	-64.99	-41.55	5.26	0.12	94.62	3.11	0.87	1.61	93.39	0.92	0.00	0.06	0.04
20	A	H	H	52.77	2.71	15.79	19.05	91.67	51.21	-63.64	-41.39	2.99	0.07	96.93	1.65	0.40	1.08	96.15	0.66	0.00	0.04	0.02
21	Q	H	H	99.97	2.21	16.80	18.77	91.99	49.57	-65.44	-40.74	2.27	0.04	97.68	1.13	0.30	0.89	97.18	0.47	0.00	0.02	0.02
22	A	H	H	47.02	4.70	14.71	20.85	91.93	51.13	-63.79	-41.03	1.68	0.02	98.30	0.78	0.18	0.68	98.05	0.30	0.00	0.01	0.01
23	R	H	H	131.21	3.07	16.46	20.10	91.76	50.73	-64.22	-40.28	1.30	0.01	98.69	0.53	0.13	0.57	98.56	0.20	0.00	0.00	0.00
24	K	H	H	120.74	1.84	17.15	18.36	91.99	50.43	-65.18	-41.04	1.10	0.01	98.89	0.40	0.11	0.52	98.80	0.15	0.00	0.00	0.00
25	L	H	H	83.33	2.92	16.30	19.60	92.00	49.99	-64.49	-41.68	0.80	0.01	99.19	0.29	0.08	0.37	99.14	0.11	0.00	0.00	0.00
26	V	H	H	68.16	4.28	15.30	20.60	91.93	49.67	-64.25	-41.79	0.58	0.00	99.42	0.20	0.05	0.27	99.39	0.09	0.00	0.00	0.00
27	E	H	H	100.89	2.36	16.48	18.85	91.56	50.41	-63.98	-40.98	0.52	0.00	99.48	0.13	0.04	0.27	99.47	0.09	0.00	0.00	0.00
28	Q	H	H	100.81	1.89	16.23	17.70	91.74	50.21	-64.70	-40.90	0.75	0.00	99.25	0.15	0.06	0.44	99.21	0.14	0.00	0.00	0.00
29	L	H	H	84.70	3.44	14.78	19.00	92.03	50.51	-65.17	-40.75	1.01	0.00	98.99	0.21	0.08	0.58	98.87	0.25	0.00	0.00	0.00
30	K	H	H	116.83	3.05	14.94	18.66	91.82	51.29	-64.13	-40.36	1.69	0.01	98.30	0.35	0.14	1.03	97.99	0.49	0.00	0.00	0.00
31	M	H	H	110.67	1.70	15.56	16.75	92.31	49.85	-65.50	-39.96	3.63	0.02	96.35	0.67	0.33	2.39	95.56	1.02	0.01	0.01	0.01
32	E	H	H	113.43	2.04	14.84	16.83	92.60	49.91	-67.68	-37.31	8.62	0.05	91.32	1.53	0.92	5.84	90.21	1.43	0.02	0.02	0.03
33	A	H	H	53.00	4.92	12.09	18.56	94.31	56.17	-69.20	-31.41	27.15	0.24	72.61	5.62	3.47	18.05	70.58	2.02	0.04	0.09	0.14
34	N	C	H	99.69	2.73	13.92	17.36	96.92	57.10	-73.43	-16.90	51.07	0.53	48.40	15.53	5.95	29.46	45.76	2.79	0.02	0.21	0.29
35	I	H	H	98.57	3.16	12.95	16.92	98.15	65.60	-73.75	-34.04	42.47	0.80	56.73	18.94	10.58	13.82	53.08	2.85	0.03	0.32	0.39
36	D	H	H	88.15	2.96	13.31	17.10	97.70	53.71	-72.18	-34.48	34.54	0.55	64.90	21.04	4.91	8.84	62.11	2.61	0.01	0.25	0.23
37	R	H	H	144.35	2.87	13.14	17.00	94.16	54.21	-66.80	-37.10	19.45	0.39	80.15	9.18	3.37	7.60	76.22	3.25	0.02	0.21	0.15
38	I	H	H	99.65	2.18	14.69	16.97	93.60	51.78	-67.37	-39.58	15.37	0.42	84.21	7.64	2.67	5.69	81.10	2.53	0.02	0.23	0.15
39	K	H	H	113.67	2.75	15.53	18.65	93.16	51.06	-66.53	-39.91	12.06	0.32	87.62	7.15	1.83	3.66	85.38	1.69	0.00	0.16	0.12
40	V	H	H	72.76	4.41	14.44	20.09	92.77	50.95	-65.59	-41.38	4.94	0.08	94.98	2.57	0.75	1.77	94.10	0.75	0.00	0.04	0.03
41	S	H	H	58.81	2.87	16.31	19.57	92.31	50.69	-64.79	-40.92	3.32	0.05	96.63	1.60	0.43	1.29	96.09	0.54	0.00	0.02	0.02
42	K	H	H	122.95	1.81	17.94	18.92	92.37	49.62	-65.65	-41.11	2.09	0.02	97.89	0.83	0.28	0.96	97.53	0.38	0.00	0.01	0.01
43	A	H	H	47.25	3.88	16.05	21.00	92.05	50.24	-64.14	-41.74	1.70	0.02	98.29	0.63	0.20	0.80	98.07	0.29	0.00	0.00	0.01
44	A	H	H	47.33	4.71	15.70	21.86	91.88	50.64	-63.60	-40.99	0.89	0.00	99.11	0.26	0.08	0.43	99.08	0.15	0.00	0.00	0.00
45	A	H	H	57.19	2.46	17.40	19.73	91.70	50.96	-63.75	-41.08	0.42	0.00	99.57	0.09	0.03	0.22	99.59	0.07	0.00	0.00	0.00
46	D	H	H	87.75	1.96	17.91	19.11	92.02	49.94	-65.30	-40.47	0.44	0.00	99.56	0.07	0.03	0.25	99.60	0.05	0.00	0.00	0.00
47	L	H	H	77.03	5.31	15.54	22.05	91.94	50.48	-64.52	-41.37	0.29	0.00	99.71	0.04	0.02	0.17	99.73	0.04	0.00	0.00	0.00
48	M	H	H	91.90	4.60	16.01	21.70	91.62	50.91	-63.44	-41.32	0.19	0.00	99.81	0.02	0.01	0.10	99.83	0.03	0.00	0.00	0.00
49	A	H	H	60.62	1.66	17.57	18.05	91.64	50.30	-63.67	-41.42	0.28	0.00	99.72	0.02	0.01	0.18	99.73	0.05	0.00	0.00	0.00
50	Y	H	H	117.82	2.63	16.58	19.34	92.21	49.40	-64.98	-41.40	0.47	0.00	99.53	0.04	0.02	0.33	99.51	0.09	0.00	0.00	0.00
51	C	H	H	40.38	9.20	11.95	22.71	92.05	50.31	-64.73	-40.77	0.58	0.00	99.41	0.05	0.03	0.41	99.35	0.15	0.00	0.00	0.00
52	E	H	H	121.98	2.55	15.37	18.54	91.69	51.34	-64.90	-38.43	1.36	0.00	98.64	0.07	0.06	1.12	98.33	0.42	0.00	0.00	0.00
53	A	H	H	78.39	1.07	16.11	15.50	92.56	50.47	-69.04	-32.90	7.37	0.00	92.63	0.11	0.21	7.43	91.53	0.72	0.00	0.00	0.00
54	H	H	H	95.67	4.84	12.81	19.29	100.56	35.44	-107.68	-1.05	30.22	0.03	69.75	0.84	1.15	28.14	68.18	1.64	0.02	0.01	0.03
55	A	H	G	37.86	11.50	8.73	21.17	92.31	103.51	-60.89	-35.48	21.66	0.11	78.23	2.20	1.50	16.74	7.46	71.99	0.00	0.07	0.04
56	K	H	G	160.28	1.20	14.01	15.21	91.23	59.16	-70.15	-23.22	24.07	0.06	75.87	0.67	1.05	21.11	3.21	73.91	0.00	0.03	0.02
57	E	H	G	149.32	1.01	14.19	14.22	97.17	45.20	-95.68	-4.73	22.66	0.10	77.23	1.34	2.16	16.88	1.93	77.60	0.00	0.05	0.03
58	D	C	C	49.54	10.10	7.42	18.67	111.29	94.29	-92.26	114.57	99.58	0.31	0.11	73.19	26.10	0.22	0.05	0.05	0.00	0.06	0.34
59	P	C	T	98.89	2.73	12.39	16.63	92.41	-151.08	-64.65	-23.31	80.76	0.16	19.08	1.94	4.05	72.90	0.90	20.05	0.00	0.08	0.09
60	L	C	T	107.93	4.02	11.73	17.27	92.76	65.01	-77.26	-13.27	80.48	0.43	19.09	1.72	4.41	73.23	1.09	19.13	0.00	0.24	0.19
61	L	C	G	84.05	7.97	10.09	19.15	98.97	65.16	-85.37	-3.88	66.05	6.29	27.65	22.40	22.51	21.62	2.50	24.32	0.05	2.83	3.77
62	T	C	S	85.73	3.67	12.07	17.37	117.13	79.84	-102.19	130.49	91.12	4.81	4.07	34.75	36.25	20.23	0.85	3.28	0.00	2.29	2.34
63	P	C	S	104.02	2.67	12.60	16.61	110.58	-106.82	-71.28	136.57	98.26	0.92	0.82	36.10	43.85	18.18	0.11	0.88	0.00	0.46	0.43
64	V	C	C	62.16	9.23	7.86	18.28	118.18	-140.18	-99.44	134.07	97.87	1.83	0.30	56.68	40.75	0.59	0.13	0.14	0.00	0.62	1.09
65	P	C	C	78.92	2.09	14.33	16.53	112.53	-107.26	-65.41	144.18	97.89	1.56	0.56	96.12	1.43	0.47	0.18	0.24	0.00	0.56	1.00
66	A	H	G	71.43	6.92	8.32	16.79	92.95	-124.18	-61.37	-32.05	35.44	0.42	64.15	5.03	4.74	22.60	1.52	65.76	0.00	0.24	0.11
67	S	H	G	96.52	0.74	12.28	12.30	92.66	62.64	-72.67	-15.95	35.89	0.19	63.92	1.96	3.12	26.78	1.31	66.67	0.00	0.11	0.05
68	E	H	G	129.59	2.21	11.83	14.89	98.23	53.23	-91.12	-7.34	32.07	0.44	67.49	4.45	5.96	18.98	1.39	68.86	0.00	0.23	0.13
69	N	C	C	48.58	9.83	7.70	18.81	111.61	71.82	-107.48	108.21	99.04	0.57	0.39	70.37	27.98	0.56	0.21	0.16	0.00	0.14	0.60
70	P	C	T	88.69	3.40	12.32	17.42	92.83	-157.35	-64.92	-22.62	73.69	0.23	26.08	5.72	6.79	60.73	11.69	14.72	0.01	0.11	0.24
71	F	C	T	116.67	5.31	10.88	17.81	94.64	62.14	-81.94	-4.70	69.17	0.50	30.33	5.16	6.80	55.84	15.82	15.62	0.04	0.25	0.47
72	R	C	C	131.59	5.31	10.50	17.52	97.10	83.10	-72.12	-15.00	53.89	1.64	44.46	25.02	12.72	16.35	22.32	21.81	0.04	0.75	0.99
73	E	C	C	132.68	2.32	12.37	15.44	100.20	65.34	-82.79	-4.79	55.91	1.66	42.43	33.79	9.51	12.48	25.68	16.87	0.01	0.80	0.84
74	K	C	C	119.57	4.98	10.27	16.98	107.23	66.71	-84.17	86.47	55.98	1.82	42.20	30.20	11.12	14.91	25.73	16.21	0.05	0.88	0.91
75	K	C	C	133.44	3.99	11.46	17.04	108.35	59.94	-86.08	107.50	60.69	2.19	37.12	34.28	11.07	15.46	23.39	13.63	0.03	1.14	1.00
76	F	C	C	127.90	4.70	10.81	17.14	110.92	55.18	-90.35	110.50	66.46	2.78	30.77	41.60	12.57	12.13	19.19	11.83	0.01	1.48	1.19
77	F	C	C	129.78	4.38	11.48	17.36	110.28	58.06	-93.93	74.23	68.87	4.70	26.43	42.71	12.94	13.06	16.39	10.40	0.02	2.93	1.54
78	C	C	C	68.81	7.32	9.67	18.34	112.90	71.99	-100.67	117.91	64.62	10.64	24.74	41.31	11.64	11.67	14.48	10.52	0.04	8.08	2.27
79	A	C	C	70.97	4.13	11.09	16.83	113.63	-156.09	-96.64	129.43	52.15	23.96	23.88	34.20	9.06	9.50	14.69	9.12	0.16	20.26	3.01
80	I	C	C	112.23	4.48	10.64	16.77	112.13	-154.87	-93.18	120.90	55.11	26.55	18.35	45.10	2.47	7.07	13.02	5.15	0.04	22.29	4.86
81	L	C	C	96.69	7.10	12.40	20.62	111.85	-161.72	-92.89	118.57	98.46	1.47	0.07	98.39	0.14	0.08	0.04	0.01	0.00	1.29	0.06