#	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	83.09	10.79	16.56	27.72	117.18	-161.76	-99.82	131.45	99.42	0.54	0.04	99.32	0.20	0.07	0.02	0.01	0.00	0.32	0.06
1	L	C	C	77.63	11.13	12.14	23.91	113.88	-144.28	-90.74	129.24	79.54	17.61	2.86	76.95	1.31	1.76	1.58	0.86	0.00	14.55	2.99
2	R	C	C	136.41	5.66	13.19	20.43	115.57	-151.60	-95.63	134.67	66.59	28.73	4.68	50.74	9.49	5.56	2.37	2.47	0.01	23.91	5.44
3	R	C	C	141.20	6.61	13.35	21.28	112.10	-137.69	-88.73	123.43	69.50	25.38	5.12	50.77	12.91	5.38	2.57	2.68	0.01	21.81	3.88
4	S	C	C	44.18	10.53	12.18	23.70	121.32	-152.68	-107.70	148.20	79.75	13.29	6.96	63.09	12.05	4.08	4.09	3.02	0.00	11.27	2.41
5	I	C	C	92.66	7.67	15.18	23.76	106.43	-119.67	-82.89	99.43	66.33	8.88	24.79	43.76	12.71	10.01	13.80	11.11	0.02	6.79	1.82
6	L	C	C	80.33	10.40	14.33	25.19	106.66	62.13	-83.42	79.70	57.45	9.71	32.83	30.75	12.24	15.14	16.27	16.23	0.08	7.44	1.85
7	F	C	C	89.41	11.27	14.00	25.83	112.83	116.27	-96.23	118.76	49.55	15.54	34.91	27.83	10.03	12.94	16.90	17.49	0.11	12.42	2.28
8	R	C	C	125.62	7.39	16.30	24.55	110.85	-159.34	-93.39	116.94	48.08	21.14	30.78	29.12	9.70	9.96	18.12	12.65	0.14	17.78	2.52
9	M	C	C	62.41	14.35	12.61	26.94	117.04	-140.18	-94.88	134.77	48.91	29.27	21.82	33.68	9.22	5.83	16.11	6.29	0.10	25.86	2.91
10	K	C	C	121.71	5.86	17.79	24.53	107.29	-154.98	-86.56	91.81	48.34	32.96	18.70	35.19	7.13	5.17	14.49	4.82	0.06	30.44	2.70
11	Y	C	E	98.73	11.97	14.48	26.60	109.51	32.18	-93.47	101.65	40.15	34.01	25.84	26.83	7.00	6.96	16.52	9.15	0.17	30.33	3.05
12	A	C	E	46.10	11.61	14.25	26.30	109.16	-149.01	-92.96	109.57	44.82	30.10	25.08	23.66	10.49	12.35	12.97	10.62	0.22	27.62	2.06
13	D	C	C	90.81	5.97	17.82	24.53	105.74	54.69	-92.73	80.34	50.82	27.51	21.67	29.93	9.82	12.22	10.29	10.31	0.15	25.48	1.80
14	L	C	C	52.34	16.06	12.39	28.03	114.20	137.92	-94.23	127.89	55.73	29.69	14.58	43.78	7.33	4.21	9.46	5.06	0.05	27.98	2.13
15	E	C	C	114.37	5.47	18.93	25.30	113.80	-158.64	-100.18	122.62	48.99	37.80	13.21	38.62	5.40	3.83	10.33	3.68	0.09	33.90	4.15
16	L	C	C	59.73	14.97	12.49	27.27	114.61	-156.71	-94.96	127.20	60.31	26.77	12.91	48.71	7.14	3.65	9.84	3.31	0.08	24.72	2.54
17	T	C	C	67.51	7.46	15.78	24.30	114.74	-151.20	-95.99	142.82	68.50	18.96	12.53	51.47	9.58	6.98	8.22	4.32	0.04	17.15	2.22
18	T	C	C	80.04	7.73	13.65	22.37	106.78	-129.99	-88.54	44.02	70.39	15.09	14.52	40.71	17.23	13.58	8.05	6.19	0.10	10.86	3.30
19	R	C	C	138.32	6.12	13.97	21.32	105.97	80.55	-90.09	56.34	76.16	11.07	12.77	34.11	19.54	24.43	5.13	6.69	0.10	7.07	2.94
20	G	C	C	39.78	7.65	14.65	23.17	113.19	22.51	100.52	-1.44	83.82	8.74	7.44	34.63	24.72	26.02	1.82	5.00	0.02	5.65	2.13
21	E	C	C	109.15	7.14	16.17	24.20	111.08	-82.64	-91.36	116.71	79.76	13.62	6.62	48.12	20.29	11.69	2.01	4.68	0.04	8.18	4.99
22	F	C	C	64.74	14.27	12.04	26.48	116.19	-145.87	-96.16	130.87	86.61	10.02	3.37	60.89	21.70	3.92	1.40	1.98	0.01	5.66	4.44
23	P	C	C	68.42	8.23	16.11	25.44	102.77	-124.25	-68.90	27.94	83.59	4.30	12.12	43.06	13.69	27.40	2.75	9.00	0.01	2.73	1.35
24	H	C	T	104.34	8.87	15.17	24.55	104.76	53.84	-89.54	34.86	77.95	7.01	15.03	26.15	17.51	35.61	3.50	10.56	0.05	4.38	2.24
25	G	C	C	37.60	8.78	15.53	24.89	109.61	-68.31	91.66	13.01	76.98	9.32	13.69	40.70	16.96	20.22	3.06	10.35	0.02	5.75	2.94
26	M	C	C	74.82	12.42	11.98	24.59	112.73	81.98	-88.47	128.62	78.16	12.91	8.93	54.51	13.05	10.39	3.23	5.70	0.03	7.84	5.24
27	K	C	C	136.09	4.48	15.92	21.62	104.58	-164.89	-88.90	-2.10	82.65	9.35	8.01	42.72	30.30	10.43	3.86	3.81	0.03	5.68	3.18
28	E	C	C	99.51	6.81	15.29	23.20	118.86	22.86	-103.17	133.75	85.45	5.19	9.36	45.87	35.20	4.67	7.36	2.16	0.02	2.92	1.80
29	P	C	C	63.80	10.46	13.85	25.12	101.17	-110.43	-65.24	3.06	61.79	2.34	35.87	36.27	7.85	17.01	29.68	6.89	0.02	1.53	0.75
30	A	C	H	54.81	6.58	16.89	24.32	97.97	65.78	-70.14	-29.49	50.31	5.26	44.43	26.48	8.08	16.02	36.18	7.99	0.08	3.99	1.19
31	F	H	H	57.01	12.65	15.15	28.42	96.61	63.42	-71.13	-34.90	32.40	14.45	53.15	21.18	5.68	6.88	43.39	8.03	0.13	12.82	1.88
32	V	H	H	41.16	14.39	14.49	28.96	96.95	56.51	-72.66	-33.79	23.79	16.34	59.87	16.65	3.71	4.49	50.87	6.95	0.08	15.85	1.39
33	K	H	H	116.93	4.89	17.82	23.39	95.67	58.23	-70.67	-32.15	24.24	14.29	61.48	15.35	4.04	5.73	51.62	7.80	0.12	14.09	1.25
34	K	H	H	104.42	6.38	17.15	24.25	98.34	51.22	-77.90	-22.95	27.41	11.26	61.33	16.21	4.78	7.63	50.93	8.37	0.16	10.57	1.34
35	L	H	H	47.55	15.43	12.34	27.36	99.87	67.13	-76.74	-19.66	33.00	8.11	58.90	19.64	6.22	9.10	48.84	7.90	0.14	6.67	1.48
36	D	H	H	75.13	8.86	15.25	24.75	99.99	57.94	-80.83	-7.67	47.73	4.30	47.97	27.56	6.33	14.70	39.27	7.85	0.06	2.90	1.32
37	Q	C	T	118.69	4.39	15.74	20.91	97.95	61.62	-77.05	-12.67	61.68	1.88	36.44	10.35	8.72	41.60	29.71	7.54	0.11	1.23	0.75
38	N	C	T	87.97	7.75	16.22	24.62	102.35	48.27	-93.38	17.53	70.93	2.38	26.69	15.26	11.71	43.66	20.01	6.88	0.06	1.52	0.89
39	I	C	C	42.88	15.77	13.37	29.27	115.63	122.55	-93.88	129.05	90.81	4.65	4.54	49.26	40.17	2.19	3.37	0.95	0.01	2.27	1.79
40	P	C	C	52.03	10.67	18.60	29.99	109.65	-121.40	-69.90	141.72	85.83	4.60	9.57	73.44	6.86	5.52	6.50	3.04	0.00	3.56	1.09
41	W	C	C	93.98	13.71	18.20	31.51	107.79	-146.40	-84.38	86.02	51.73	27.35	20.91	25.51	16.12	12.28	11.31	9.12	0.45	21.63	3.59
42	Y	E	E	76.47	13.34	19.13	32.28	110.03	66.25	-93.90	95.09	32.31	47.80	19.89	19.65	7.43	7.84	12.58	7.48	0.50	40.48	4.06
43	F	E	E	52.39	15.94	16.95	32.65	111.79	87.06	-97.50	116.75	32.37	48.49	19.14	20.91	6.70	6.67	12.46	6.88	0.52	41.60	4.27
44	S	C	C	41.34	11.74	18.03	30.00	110.66	90.53	-94.48	105.76	54.25	30.72	15.03	28.76	12.06	14.52	9.15	5.29	0.32	27.16	2.74
45	T	C	T	59.55	10.35	18.05	28.51	106.28	37.75	-91.80	3.72	71.17	13.98	14.84	23.03	21.36	27.85	9.00	5.01	0.33	11.21	2.22
46	Y	C	T	103.42	11.55	16.40	27.76	100.08	48.19	-82.88	-9.47	75.51	10.53	13.96	22.08	24.43	30.13	8.00	5.02	0.20	8.15	2.00
47	R	C	C	116.49	9.84	18.18	27.84	103.72	49.97	-91.14	5.83	66.89	23.10	10.01	25.45	21.81	21.38	4.96	4.27	0.12	20.00	2.00
48	S	E	E	38.67	12.50	18.21	30.86	120.21	59.71	-112.69	138.60	45.77	47.28	6.95	28.07	10.75	8.82	3.23	3.28	0.06	43.63	2.16
49	M	E	E	46.56	16.63	17.38	33.76	119.79	-158.16	-111.33	133.71	29.70	65.15	5.15	21.30	6.13	3.63	2.86	2.27	0.05	61.60	2.16
50	Y	E	E	72.28	13.82	20.30	34.19	120.34	-161.24	-109.07	134.50	27.48	68.12	4.41	20.09	5.32	3.14	2.54	1.91	0.04	64.69	2.27
51	H	E	E	58.01	15.23	19.20	34.20	118.40	-161.28	-108.39	129.62	38.79	56.41	4.80	26.16	10.28	3.62	2.96	1.93	0.06	52.70	2.29
52	W	C	C	67.30	13.99	17.73	32.27	120.40	-155.94	-106.43	135.12	62.30	30.02	7.68	43.93	14.33	4.35	5.03	2.68	0.06	27.38	2.24
53	P	C	C	45.68	11.29	17.31	29.49	110.76	-111.15	-70.18	142.11	68.92	20.92	10.16	53.12	8.86	6.86	5.16	4.76	0.03	18.59	2.61
54	I	C	C	79.50	11.01	14.48	25.92	102.44	-141.54	-81.04	-8.29	62.92	22.72	14.36	33.92	15.79	14.53	7.14	6.84	0.33	13.98	7.48
55	T	C	T	86.07	4.82	14.69	20.53	105.92	55.13	-91.36	72.09	71.69	15.18	13.13	24.31	21.99	27.42	5.61	6.55	0.25	9.62	4.25
56	G	C	T	46.42	5.40	13.07	19.72	105.13	-19.96	85.08	-8.17	80.56	5.57	13.87	21.72	29.22	30.91	5.03	7.67	0.06	3.18	2.22
57	D	C	T	95.51	4.60	13.66	19.52	107.51	99.43	-87.37	71.81	76.56	5.48	17.96	18.23	24.26	34.84	7.23	9.72	0.16	3.18	2.37
58	N	C	C	81.94	6.69	14.60	22.34	103.78	24.40	-85.40	58.31	74.33	8.13	17.54	34.04	15.15	26.51	7.59	8.96	0.10	4.53	3.11
59	W	H	G	75.78	15.76	10.31	25.34	96.59	140.96	-72.37	-18.14	43.56	6.22	50.22	28.72	6.09	9.66	17.42	32.12	0.02	4.23	1.73
60	S	H	G	78.78	3.17	15.36	19.60	93.93	76.96	-69.92	-20.80	39.92	5.01	55.07	16.27	7.93	16.92	18.61	35.40	0.07	3.51	1.29
61	D	H	G	94.77	3.61	15.14	19.56	97.21	58.17	-86.56	-2.56	41.20	4.96	53.84	17.69	8.84	16.14	18.14	34.36	0.08	3.38	1.36
62	L	C	C	50.80	14.80	8.99	23.37	110.12	99.51	-83.85	119.78	64.86	5.50	29.64	37.33	17.20	11.11	18.10	10.89	0.09	2.74	2.55
63	N	C	C	95.91	4.09	14.79	19.90	108.31	-138.43	-86.11	115.18	75.82	3.76	20.42	51.46	12.13	11.67	15.44	5.59	0.01	2.04	1.66
64	E	H	H	115.10	6.21	12.48	19.98	98.07	-120.66	-71.29	-22.11	46.17	3.02	50.81	22.25	10.52	14.66	33.41	16.22	0.11	1.69	1.15
65	A	H	H	67.14	4.71	13.02	19.08	97.75	69.30	-72.32	-27.76	42.47	3.19	54.34	15.88	9.10	17.72	35.12	18.91	0.14	2.17	0.96
66	E	H	H	108.05	6.05	14.02	21.23	101.99	58.12	-82.41	-4.90	44.06	4.13	51.81	21.40	8.95	14.18	33.69	17.72	0.11	2.79	1.16
67	K	C	C	95.31	9.67	14.13	24.49	107.34	105.86	-85.14	94.94	52.04	6.87	41.09	31.94	10.61	10.74	30.80	9.29	0.08	4.69	1.85
68	H	C	C	81.50	11.24	15.39	26.93	111.06	-149.20	-87.78	121.64	59.10	10.28	30.61	40.33	9.38	9.38	26.04	5.02	0.07	6.97	2.81
69	H	C	C	91.83	9.90	17.48	27.51	103.59	-141.61	-84.60	-21.35	59.48	10.45	30.07	38.19	10.74	10.06	25.91	4.84	0.05	8.33	1.88
70	D	C	C	60.23	10.84	18.94	29.84	102.76	57.79	-80.33	18.23	55.61	14.72	29.66	40.64	7.82	6.48	25.87	4.50	0.03	12.19	2.47
71	L	H	H	47.13	15.73	18.18	33.24	96.79	130.89	-71.31	-31.37	39.86	18.64	41.49	30.14	5.06	4.31	37.53	4.12	0.03	16.43	2.37
72	H	H	H	69.90	12.45	20.62	32.67	94.63	59.98	-67.71	-38.05	30.31	21.59	48.10	21.74	4.39	4.12	43.47	3.99	0.05	20.58	1.67
73	M	H	H	54.83	12.94	20.87	33.53	94.43	55.43	-68.41	-39.02	23.44	20.01	56.55	15.96	3.93	3.68	51.06	4.21	0.04	20.07	1.04
74	F	H	H	51.21	15.30	21.17	35.82	94.07	54.30	-67.56	-40.30	19.53	19.28	61.19	12.72	3.40	3.38	55.79	4.12	0.05	19.63	0.92
75	Y	H	H	54.60	16.15	21.80	37.08	94.20	52.03	-67.71	-40.05	19.78	18.74	61.48	12.26	3.50	3.81	56.35	4.03	0.06	19.02	0.97
76	T	H	H	34.64	14.41	22.11	36.06	94.19	52.32	-67.39	-40.55	20.33	17.71	61.96	11.67	3.63	4.65	57.58	3.72	0.07	17.63	1.05
77	L	H	H	44.21	13.20	22.39	35.40	93.68	51.98	-67.19	-39.46	20.37	16.79	62.84	10.84	3.81	5.63	57.70	4.16	0.10	16.59	1.17
78	A	H	H	20.28	15.17	20.72	36.04	93.42	53.56	-66.87	-39.80	22.71	16.40	60.89	12.13	3.80	6.55	55.28	4.50	0.10	16.53	1.11
79	W	H	H	57.33	15.62	20.25	35.37	93.61	52.49	-68.35	-39.30	22.35	16.22	61.43	11.65	3.66	6.95	54.44	5.91	0.14	15.98	1.27
80	W	H	H	84.62	12.82	19.58	32.20	93.74	53.27	-67.80	-38.75	24.14	14.21	61.65	12.31	3.78	8.50	53.43	6.81	0.19	13.55	1.43
81	K	H	H	92.86	10.11	19.73	29.75	93.65	52.94	-71.58	-29.88	30.76	10.58	58.67	12.95	4.77	13.74	50.85	6.31	0.26	9.58	1.53
82	L	C	H	62.14	12.79	16.89	29.57	96.78	53.23	-81.92	-11.31	49.64	6.99	43.37	12.94	8.66	28.35	37.46	5.37	0.37	5.17	1.67
83	G	C	T	34.97	10.26	17.08	27.46	102.74	-82.80	78.41	5.91	76.01	4.57	19.42	28.68	12.22	35.03	15.97	3.91	0.04	2.87	1.29
84	E	C	T	98.70	8.85	16.30	25.80	108.82	126.53	-85.56	113.44	76.61	6.43	16.96	24.60	15.03	37.66	10.85	5.81	0.08	4.01	1.97
85	G	C	T	38.17	9.08	17.22	26.66	106.64	14.01	83.75	16.20	82.42	7.28	10.29	31.14	16.92	35.77	4.54	4.91	0.02	5.15	1.54
86	I	C	C	64.83	13.56	15.45	28.93	108.15	147.23	-93.04	64.42	71.28	18.23	10.49	42.79	15.19	13.93	4.99	5.47	0.04	13.94	3.65
87	F	C	C	87.38	11.79	15.53	27.61	118.21	97.03	-106.04	129.90	64.41	27.76	7.83	37.33	15.98	11.93	4.00	3.99	0.13	19.81	6.85
88	G	C	C	32.72	9.42	15.33	25.42	118.14	-165.65	-116.51	157.09	80.68	16.62	2.70	59.93	14.97	5.46	0.98	1.83	0.00	13.77	3.06
89	V	C	C	84.79	8.05	12.17	21.30	109.61	-124.95	-89.19	112.72	77.38	11.54	11.08	56.00	10.99	10.51	3.59	7.27	0.01	8.87	2.76
90	D	C	C	98.54	4.26	11.28	17.06	108.12	-137.77	-89.44	94.85	78.53	6.32	15.15	45.29	16.32	17.63	3.69	11.05	0.02	4.13	1.87
91	E	C	C	124.28	4.68	9.18	15.50	107.69	143.72	-87.10	86.37	77.52	5.31	17.17	45.20	15.60	17.27	4.06	12.78	0.02	3.31	1.76
92	D	C	C	108.98	2.71	9.05	13.46	107.93	130.31	-87.70	89.17	84.54	3.05	12.41	70.77	3.36	11.52	4.16	7.07	0.00	1.99	1.12
93	S	C	C	80.17	3.67	10.43	15.83	109.14	163.40	-91.67	111.48	99.59	0.17	0.23	98.87	0.37	0.46	0.12	0.04	0.00	0.10	0.04