#	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	Q	C	C	104.79	4.97	11.82	18.19	112.35	-159.04	-89.43	128.90	99.14	0.39	0.47	98.95	0.23	0.13	0.36	0.04	0.00	0.18	0.12
1	D	C	C	94.02	2.73	9.62	13.60	102.73	-147.64	-77.67	-11.01	51.29	2.92	45.78	48.85	0.78	2.80	44.16	0.88	0.00	0.90	1.62
2	L	H	H	114.93	1.41	9.20	11.25	94.29	66.20	-66.01	-35.84	10.74	0.18	89.08	4.57	1.52	5.04	86.30	2.39	0.01	0.10	0.07
3	Y	H	H	141.30	1.93	10.01	12.83	93.07	53.32	-66.85	-38.27	7.03	0.36	92.60	2.71	1.23	3.83	88.00	3.82	0.04	0.26	0.11
4	L	H	H	92.99	2.50	10.59	14.24	92.90	51.41	-66.38	-39.22	3.31	0.21	96.48	1.44	0.61	1.65	93.03	3.02	0.01	0.18	0.04
5	R	H	H	142.09	1.51	12.53	14.05	92.64	52.74	-65.19	-39.99	2.81	0.18	97.00	1.06	0.47	1.55	93.99	2.71	0.02	0.16	0.04
6	E	H	H	105.23	2.03	12.22	14.75	93.05	51.08	-66.28	-39.33	4.50	0.22	95.28	1.11	0.56	3.09	91.45	3.50	0.04	0.18	0.06
7	L	H	H	88.92	3.69	10.77	15.80	93.28	51.43	-67.50	-37.07	7.23	0.13	92.64	1.41	0.80	5.15	88.30	4.15	0.05	0.08	0.06
8	K	H	H	132.18	2.50	11.71	15.27	92.76	56.30	-67.86	-29.45	20.33	0.21	79.46	2.88	1.75	15.57	73.83	5.66	0.08	0.10	0.13
9	D	H	H	112.55	1.20	11.62	12.87	93.86	57.72	-75.17	-15.96	48.69	0.33	50.98	5.14	4.18	37.89	46.46	5.91	0.05	0.14	0.22
10	T	C	T	92.28	3.14	9.13	13.80	100.78	62.50	-89.35	4.94	64.06	2.04	33.90	22.02	13.93	29.93	26.13	5.79	0.12	0.78	1.30
11	K	C	C	145.28	2.61	9.15	13.70	113.14	118.15	-84.49	128.82	90.20	4.26	5.54	59.66	25.70	4.38	4.19	1.39	0.00	1.45	3.23
12	L	C	C	116.47	3.30	8.69	13.92	115.43	-121.72	-77.33	142.65	95.83	2.88	1.30	85.93	8.38	1.35	0.81	0.45	0.00	1.33	1.76
13	A	C	C	88.93	1.46	11.14	13.59	115.04	-104.84	-75.81	143.98	97.90	1.83	0.27	91.90	5.75	0.38	0.13	0.11	0.00	1.03	0.69
14	P	C	C	102.52	3.49	9.10	14.69	113.71	-103.93	-66.66	145.41	93.62	5.79	0.59	89.62	3.21	0.57	0.32	0.22	0.00	2.40	3.67
15	S	C	C	71.03	4.51	8.40	14.83	115.91	-120.89	-86.73	146.71	91.99	7.33	0.69	86.29	4.60	0.48	0.43	0.21	0.00	2.38	5.61
16	T	C	C	88.71	1.95	11.93	14.50	119.21	-122.45	-88.52	154.99	95.97	2.31	1.72	89.83	5.51	0.71	1.26	0.38	0.00	0.99	1.32
17	L	H	H	117.92	3.66	8.66	14.08	94.23	-109.82	-61.76	-34.14	23.06	0.76	76.18	6.93	4.24	11.01	44.42	32.67	0.05	0.44	0.25
18	Q	H	H	144.47	0.83	11.49	11.94	94.26	58.65	-67.31	-32.94	21.87	0.72	77.41	4.52	3.36	12.42	43.39	35.57	0.08	0.45	0.20
19	D	H	H	96.68	2.42	10.25	13.77	97.81	52.77	-81.51	-13.39	19.35	1.11	79.54	6.78	3.46	8.54	43.95	36.21	0.05	0.73	0.27
20	A	H	H	53.49	6.86	7.31	15.44	100.24	68.65	-79.96	-8.49	37.51	3.46	59.03	20.12	7.43	11.84	42.11	15.10	0.13	1.87	1.40
21	E	C	T	138.19	2.21	9.52	13.25	105.36	104.77	-78.65	99.24	57.27	6.06	36.68	16.89	9.12	31.03	27.46	8.97	0.36	3.13	3.05
22	G	C	T	62.76	0.95	11.00	11.80	100.69	18.70	47.54	-4.92	77.47	1.51	21.02	13.03	12.63	51.53	13.36	7.80	0.04	0.83	0.78
23	N	C	T	117.69	2.05	9.26	12.50	106.54	71.96	-93.02	56.50	86.59	3.40	10.01	30.03	20.09	37.51	3.48	5.69	0.01	2.09	1.08
24	V	C	C	107.82	3.30	6.97	12.37	116.03	118.52	-95.37	132.54	76.76	21.28	1.97	59.58	13.04	3.79	0.78	1.32	0.00	16.97	4.52
25	K	C	C	144.14	1.90	9.38	12.97	120.37	-154.39	-106.46	139.15	66.22	33.57	0.21	55.98	9.57	0.49	0.08	0.17	0.00	30.47	3.24
26	P	C	C	117.40	1.29	10.63	12.94	113.54	-105.75	-68.72	141.75	64.03	35.76	0.21	62.26	1.64	0.30	0.08	0.13	0.00	30.19	5.40
27	W	C	C	159.16	5.66	6.00	13.30	117.52	-137.55	-93.77	140.00	88.37	11.42	0.20	85.34	2.97	0.34	0.08	0.11	0.00	6.80	4.35
28	N	C	C	130.23	0.91	11.04	12.15	117.55	-147.05	-109.58	131.81	96.46	3.47	0.07	90.87	5.71	0.24	0.02	0.04	0.00	1.68	1.44
29	P	C	C	104.50	3.04	8.01	13.29	116.38	-111.42	-69.06	146.09	99.30	0.61	0.09	91.01	7.97	0.39	0.02	0.06	0.00	0.29	0.25
30	P	C	C	91.77	3.94	7.28	13.38	115.88	-104.65	-66.78	150.56	99.13	0.58	0.29	93.80	4.31	1.04	0.07	0.18	0.00	0.23	0.36
31	Q	C	C	153.29	0.71	10.81	11.41	114.95	-101.69	-74.03	145.21	97.96	1.83	0.22	88.00	9.07	0.47	0.08	0.12	0.00	0.48	1.79
32	K	C	C	162.54	1.85	8.70	12.48	114.51	-102.78	-69.71	140.52	99.26	0.68	0.06	91.98	7.14	0.14	0.02	0.03	0.00	0.26	0.42
33	P	C	C	86.03	5.31	6.67	13.92	116.59	-107.54	-66.72	149.90	99.35	0.53	0.12	97.72	1.43	0.25	0.04	0.05	0.00	0.19	0.32
34	N	C	C	136.84	0.68	11.92	12.06	114.84	-107.11	-76.55	142.78	96.98	2.81	0.21	90.46	5.51	0.31	0.10	0.08	0.00	0.62	2.92
35	L	C	C	124.27	3.55	7.64	13.38	115.63	-107.26	-75.26	141.67	99.25	0.52	0.22	93.95	5.15	0.19	0.11	0.07	0.00	0.19	0.34
36	P	C	C	80.53	4.91	7.03	13.87	114.78	-107.40	-66.75	149.92	94.23	0.64	5.13	90.73	2.24	2.25	2.18	1.90	0.00	0.26	0.45
37	E	C	C	168.49	0.58	10.11	10.10	97.76	-121.86	-75.34	-16.30	75.06	1.84	23.10	41.50	22.69	11.59	9.32	12.84	0.01	0.78	1.28
38	L	C	C	122.50	1.99	8.22	11.70	117.19	59.02	-100.15	140.44	64.92	3.61	31.48	34.80	18.53	12.35	11.73	19.00	0.05	1.83	1.72
39	E	C	C	139.88	2.46	8.67	12.89	111.12	-127.95	-83.97	127.78	66.04	3.55	30.41	47.40	8.27	10.12	11.76	18.92	0.01	2.03	1.49
40	L	C	C	109.14	3.97	8.08	13.92	113.10	-142.78	-92.65	131.28	72.99	3.94	23.06	47.35	12.57	13.03	11.55	11.46	0.03	2.09	1.93
41	Q	C	C	134.81	1.92	10.50	13.46	107.50	-150.39	-90.41	73.58	79.38	3.65	16.98	47.77	20.25	11.54	11.03	5.71	0.03	1.56	2.12
42	G	C	C	39.16	3.63	11.45	16.38	117.06	-38.78	86.46	-67.47	65.08	1.49	33.43	37.51	21.84	5.75	31.30	2.31	0.02	0.51	0.76
43	P	H	H	90.43	3.35	10.69	15.34	94.84	-57.92	-63.86	-34.32	13.35	0.19	86.47	6.58	2.55	5.36	82.36	2.96	0.01	0.10	0.07
44	E	H	H	133.49	1.29	13.76	14.60	94.04	54.37	-66.78	-36.89	6.18	0.18	93.65	2.75	1.17	3.04	89.78	3.07	0.02	0.12	0.05
45	A	H	H	52.68	3.39	12.33	17.17	92.98	52.73	-66.06	-38.66	3.37	0.16	96.47	1.65	0.63	1.58	92.96	3.03	0.01	0.12	0.03
46	L	H	H	75.61	5.09	11.32	18.06	92.54	52.24	-65.61	-39.61	2.15	0.19	97.66	0.96	0.43	1.07	95.80	1.54	0.01	0.15	0.03
47	K	H	H	122.02	1.82	14.60	16.29	92.52	52.73	-65.13	-40.22	1.58	0.13	98.29	0.55	0.25	0.90	97.22	0.94	0.01	0.10	0.02
48	A	H	H	60.37	2.01	13.75	15.96	92.20	51.26	-64.90	-40.37	1.87	0.12	98.01	0.48	0.22	1.28	96.67	1.21	0.02	0.09	0.03
49	Y	H	H	107.98	5.88	10.93	18.31	92.88	51.09	-67.14	-36.57	3.01	0.06	96.93	0.57	0.28	2.21	95.27	1.58	0.02	0.04	0.02
50	T	H	H	89.02	3.52	11.94	16.82	92.65	56.13	-69.94	-25.28	10.26	0.09	89.65	1.04	0.75	8.38	88.53	1.15	0.06	0.04	0.06
51	E	H	H	152.89	0.88	12.93	12.85	95.96	51.25	-89.00	-4.77	43.46	0.34	56.20	4.07	4.07	34.10	55.91	1.46	0.05	0.12	0.22
52	Q	C	C	98.10	5.44	7.82	15.29	116.20	105.12	-79.29	141.31	88.24	2.65	9.11	44.80	35.78	6.98	8.83	1.19	0.01	0.94	1.48
53	N	C	C	130.07	1.18	11.68	13.40	113.44	-125.40	-85.20	135.34	87.43	6.78	5.79	78.73	5.82	2.60	4.95	1.22	0.00	4.34	2.33
54	V	C	C	94.78	6.34	7.46	15.41	115.29	-134.76	-90.82	130.90	77.09	12.95	9.96	70.25	3.83	2.44	8.79	1.87	0.00	9.40	3.41
55	E	C	C	127.15	2.68	10.75	14.96	115.84	-155.79	-99.88	133.53	69.48	16.79	13.73	60.58	4.84	2.90	13.06	2.08	0.01	12.30	4.23
56	T	C	C	90.95	3.72	9.44	14.74	107.56	-154.47	-90.87	89.60	55.48	12.37	32.15	45.24	5.32	4.17	29.59	3.46	0.02	10.40	1.81
57	A	H	H	73.72	2.95	10.00	14.35	99.59	85.76	-73.42	-20.98	45.05	7.65	47.30	32.28	6.73	6.83	41.15	5.40	0.05	6.44	1.12
58	H	H	H	134.00	2.32	10.55	13.89	101.17	54.04	-75.28	-27.45	41.06	6.95	51.99	29.06	6.35	7.20	44.19	6.32	0.07	5.67	1.15
59	V	H	H	92.08	3.56	10.06	15.01	97.79	57.21	-74.54	-31.15	38.35	6.02	55.63	28.72	5.65	5.82	48.62	5.43	0.04	4.66	1.06
60	A	H	H	69.67	3.38	10.01	14.89	99.73	60.01	-74.62	-24.83	45.16	4.64	50.20	32.94	6.17	7.05	45.32	4.25	0.03	3.23	1.01
61	K	C	H	139.17	2.41	10.30	13.92	101.74	53.87	-80.18	-5.25	53.55	3.95	42.51	37.23	7.66	8.95	38.33	4.25	0.03	2.44	1.11
62	E	C	C	131.96	2.53	10.07	13.95	104.59	55.86	-81.85	5.63	59.89	3.61	36.51	41.10	8.26	10.25	32.58	4.49	0.02	2.11	1.19
63	S	C	C	74.27	3.37	8.82	13.77	107.87	56.31	-87.84	124.56	67.42	3.21	29.37	43.27	10.04	13.68	24.72	5.22	0.02	1.75	1.31
64	E	C	C	141.05	2.08	8.90	12.39	106.01	-77.49	-85.99	47.37	72.47	3.11	24.42	43.92	12.55	16.12	18.02	6.24	0.02	1.54	1.58
65	E	C	T	149.91	1.52	8.85	11.63	109.26	73.33	-83.18	113.75	80.92	2.13	16.95	30.71	15.98	35.34	10.00	5.82	0.02	1.05	1.07
66	G	C	T	57.29	2.10	9.17	12.54	107.61	16.49	68.07	40.81	89.11	1.96	8.93	33.80	20.12	36.18	3.67	4.37	0.01	0.97	0.89
67	E	C	C	140.79	2.25	8.58	12.56	113.41	124.00	-90.69	132.24	90.72	4.06	5.22	61.99	20.52	8.15	2.21	2.91	0.00	2.00	2.21
68	S	C	C	82.90	2.51	8.39	12.65	116.08	-134.67	-91.32	143.05	90.82	5.03	4.15	68.08	17.07	5.39	2.21	1.94	0.00	2.47	2.83
69	E	C	C	143.74	1.92	9.63	13.13	115.42	-111.92	-83.25	138.75	92.11	3.38	4.51	75.73	14.15	2.13	3.43	1.27	0.00	1.76	1.53
70	P	C	C	97.38	3.65	8.37	14.06	113.76	-106.09	-68.25	144.91	85.29	3.46	11.25	76.75	4.77	3.85	8.19	3.05	0.00	2.05	1.35
71	I	C	C	118.35	3.36	7.99	13.29	114.78	-129.57	-89.47	136.20	70.65	5.31	24.04	58.73	6.43	5.47	16.40	7.73	0.01	3.17	2.07
72	E	C	C	141.48	2.26	8.91	12.80	112.89	-133.08	-88.22	132.88	55.93	5.47	38.59	39.94	7.99	7.94	21.33	17.65	0.02	3.73	1.41
73	E	C	C	134.25	3.10	9.12	14.02	111.80	-140.36	-91.45	128.20	52.69	5.51	41.79	34.24	8.68	9.79	22.44	19.61	0.04	3.87	1.33
74	D	C	C	95.65	3.95	9.74	15.31	110.27	-147.81	-93.14	111.35	55.40	3.90	40.70	38.86	7.65	8.82	21.34	19.62	0.02	2.55	1.15
75	W	C	H	161.69	4.48	9.82	15.79	100.94	-152.87	-81.82	-13.04	53.08	4.67	42.26	22.92	10.94	19.44	26.31	15.71	0.17	3.07	1.45
76	L	C	H	103.81	4.55	10.03	16.05	103.89	65.92	-92.09	31.87	51.72	8.61	39.67	23.94	10.43	18.13	25.76	13.19	0.33	5.96	2.26
77	V	C	C	87.35	4.47	10.25	16.42	115.27	119.94	-95.18	125.13	53.15	9.76	37.08	37.12	10.68	6.52	31.00	5.44	0.10	6.69	2.45
78	L	C	C	102.92	4.25	9.39	15.35	111.51	-137.44	-86.24	127.20	57.54	5.30	37.15	44.93	7.28	5.28	33.80	3.72	0.02	3.90	1.07
79	D	C	C	99.39	2.89	10.01	14.40	108.97	-127.17	-84.98	110.83	60.98	2.59	36.43	49.43	5.38	5.62	33.63	3.57	0.01	1.73	0.64
80	D	C	C	100.64	2.93	9.76	14.14	102.50	54.51	-78.84	1.05	53.34	1.85	44.81	41.20	5.86	6.38	40.28	4.60	0.01	1.13	0.54
81	A	C	H	73.57	3.08	9.38	14.01	99.83	64.01	-75.21	-14.92	49.93	1.75	48.32	37.31	6.31	6.68	43.26	4.88	0.01	1.06	0.51
82	E	C	H	125.74	2.97	9.26	13.72	101.80	60.87	-85.02	4.46	51.65	1.70	46.64	39.57	5.91	6.49	41.98	4.53	0.01	0.98	0.54
83	E	C	H	124.04	3.21	8.84	13.69	103.86	66.13	-83.69	20.61	54.12	1.42	44.47	40.51	6.70	6.86	40.62	4.05	0.01	0.77	0.48
84	T	C	C	97.68	2.52	8.78	12.81	104.32	65.50	-85.88	26.31	59.39	1.42	39.19	43.14	6.68	9.11	35.45	4.32	0.01	0.77	0.52
85	K	C	C	146.16	2.31	8.39	12.26	106.17	71.58	-88.92	77.74	64.94	1.82	33.23	44.73	8.30	11.68	28.45	5.11	0.01	0.95	0.78
86	E	C	C	140.30	2.26	7.46	11.38	109.15	83.67	-90.25	108.55	73.69	2.43	23.88	48.88	9.67	14.75	19.44	4.85	0.01	1.33	1.07
87	S	C	C	88.87	1.75	7.42	10.66	107.69	-103.02	-90.62	68.44	86.15	2.04	11.81	71.84	2.30	12.56	8.76	2.39	0.00	1.25	0.91
88	H	C	C	141.58	2.87	8.97	13.47	107.30	76.06	-91.66	76.40	99.63	0.23	0.14	99.23	0.28	0.24	0.07	0.02	0.00	0.13	0.04