FMO DATABASE

FMODB ID: NN5QQ

Calculation Name: 4P71-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4P71

Chain ID: A

ChEMBL ID:

UniProt ID: Q9I0A3

Base Structure: X-ray

Registration Date: 2023-09-24

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	791
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-16386948.873572
FMO2-HF: Nuclear repulsion	16084388.0109
FMO2-HF: Total energy	-302560.862672
FMO2-MP2: Total energy	-303448.846528

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)

Summations of interaction energy for fragment #1(A:1:MET)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-28.75	-15.195	16.42	-8.266	-21.708	-0.062

Interaction energy analysis for fragmet #1(A:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.010 / q_NPA : 0.025

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	3	PHE	0	-0.007	0.009	2.645	-1.889	2.470	0.555	-2.055	-2.860	-0.002
4	A	4	SER	0	-0.002	-0.018	4.336	0.291	0.366	0.000	-0.024	-0.051	0.000
5	A	5	GLU	-1	-0.772	-0.876	7.799	-1.385	-1.385	0.000	0.000	0.000	0.000
6	A	6	LYS	1	0.863	0.917	9.907	0.702	0.702	0.000	0.000	0.000	0.000
7	A	7	TRP	0	-0.008	-0.001	6.077	-0.005	-0.005	0.000	0.000	0.000	0.000
8	A	8	LEU	0	0.067	0.053	6.487	0.147	0.147	0.000	0.000	0.000	0.000
9	A	9	ARG	1	0.759	0.851	8.801	1.141	1.141	0.000	0.000	0.000	0.000
10	A	10	SER	0	-0.120	-0.073	11.503	0.165	0.165	0.000	0.000	0.000	0.000
11	A	11	TRP	0	0.018	0.025	10.197	0.121	0.121	0.000	0.000	0.000	0.000
12	A	12	ALA	0	0.048	0.012	11.731	0.111	0.111	0.000	0.000	0.000	0.000
13	A	13	ASN	0	0.059	0.038	13.138	-0.176	-0.176	0.000	0.000	0.000	0.000
14	A	14	PRO	0	0.022	0.018	14.017	0.091	0.091	0.000	0.000	0.000	0.000
15	A	15	GLN	0	-0.071	-0.039	16.790	0.027	0.027	0.000	0.000	0.000	0.000
16	A	16	VAL	0	-0.027	0.014	17.076	0.043	0.043	0.000	0.000	0.000	0.000
17	A	17	SER	0	-0.043	-0.065	18.362	-0.058	-0.058	0.000	0.000	0.000	0.000
18	A	18	HIS	1	0.844	0.896	12.685	1.197	1.197	0.000	0.000	0.000	0.000
19	A	19	ASP	-1	-0.866	-0.949	14.656	-0.931	-0.931	0.000	0.000	0.000	0.000
20	A	20	GLU	-1	-0.851	-0.903	16.587	-0.661	-0.661	0.000	0.000	0.000	0.000
21	A	21	LEU	0	-0.010	0.019	11.217	-0.001	-0.001	0.000	0.000	0.000	0.000
22	A	22	VAL	0	0.049	0.020	10.789	-0.116	-0.116	0.000	0.000	0.000	0.000
23	A	23	ALA	0	-0.004	0.013	12.480	-0.047	-0.047	0.000	0.000	0.000	0.000
24	A	24	ARG	1	0.805	0.893	14.715	0.715	0.715	0.000	0.000	0.000	0.000
25	A	25	LEU	0	0.019	0.006	8.366	0.087	0.087	0.000	0.000	0.000	0.000
26	A	26	SER	0	0.067	0.023	11.211	-0.015	-0.015	0.000	0.000	0.000	0.000
27	A	27	MET	0	-0.127	-0.055	12.045	0.181	0.181	0.000	0.000	0.000	0.000
28	A	28	VAL	0	-0.032	-0.012	11.775	0.134	0.134	0.000	0.000	0.000	0.000
29	A	29	GLY	0	0.013	0.008	11.617	0.048	0.048	0.000	0.000	0.000	0.000
30	A	30	LEU	0	-0.064	-0.028	6.789	0.009	0.009	0.000	0.000	0.000	0.000
31	A	31	GLU	-1	-0.947	-0.982	8.283	-1.245	-1.245	0.000	0.000	0.000	0.000
32	A	32	VAL	0	-0.011	-0.007	6.937	-0.651	-0.651	0.000	0.000	0.000	0.000
33	A	33	ASP	-1	-0.903	-0.940	5.850	-1.938	-1.938	0.000	0.000	0.000	0.000
34	A	34	ALA	0	-0.055	-0.036	7.919	0.532	0.532	0.000	0.000	0.000	0.000
35	A	35	ASP	-1	-0.892	-0.935	8.809	-1.870	-1.870	0.000	0.000	0.000	0.000
36	A	36	LEU	0	0.004	0.005	11.504	0.292	0.292	0.000	0.000	0.000	0.000
37	A	37	PRO	0	-0.011	-0.008	13.309	-0.076	-0.076	0.000	0.000	0.000	0.000
38	A	38	VAL	0	-0.017	0.011	11.764	0.034	0.034	0.000	0.000	0.000	0.000
39	A	39	ALA	0	0.001	0.004	14.357	0.086	0.086	0.000	0.000	0.000	0.000
40	A	40	GLY	0	0.043	0.033	17.895	-0.030	-0.030	0.000	0.000	0.000	0.000
41	A	41	ALA	0	-0.046	-0.014	21.518	0.000	0.000	0.000	0.000	0.000	0.000
42	A	42	PHE	0	0.049	0.014	22.399	0.025	0.025	0.000	0.000	0.000	0.000
43	A	43	SER	0	-0.020	-0.017	26.590	-0.014	-0.014	0.000	0.000	0.000	0.000
44	A	44	GLY	0	0.035	0.008	29.104	0.014	0.014	0.000	0.000	0.000	0.000
45	A	45	VAL	0	0.000	-0.005	27.621	0.016	0.016	0.000	0.000	0.000	0.000
46	A	46	VAL	0	-0.001	0.003	28.097	-0.017	-0.017	0.000	0.000	0.000	0.000
47	A	47	VAL	0	0.007	0.013	26.342	0.012	0.012	0.000	0.000	0.000	0.000
48	A	48	GLY	0	0.008	0.004	28.979	0.001	0.001	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.918	-0.980	31.351	-0.050	-0.050	0.000	0.000	0.000	0.000
50	A	50	VAL	0	-0.036	-0.009	33.792	0.000	0.000	0.000	0.000	0.000	0.000
51	A	51	LEU	0	0.009	0.009	36.194	0.005	0.005	0.000	0.000	0.000	0.000
52	A	52	SER	0	-0.022	-0.022	39.376	0.004	0.004	0.000	0.000	0.000	0.000
53	A	53	THR	0	-0.014	-0.014	38.324	-0.002	-0.002	0.000	0.000	0.000	0.000
54	A	54	GLU	-1	-0.893	-0.940	41.635	-0.003	-0.003	0.000	0.000	0.000	0.000
55	A	55	GLN	0	0.001	-0.010	44.064	-0.002	-0.002	0.000	0.000	0.000	0.000
56	A	56	HIS	0	-0.056	-0.035	44.819	-0.001	-0.001	0.000	0.000	0.000	0.000
57	A	57	PRO	0	-0.013	-0.006	46.650	0.003	0.003	0.000	0.000	0.000	0.000
58	A	58	ASP	-1	-0.902	-0.951	49.464	-0.011	-0.011	0.000	0.000	0.000	0.000
59	A	59	ALA	0	-0.071	-0.062	45.675	0.000	0.000	0.000	0.000	0.000	0.000
60	A	60	ASP	-1	-0.803	-0.885	45.446	0.009	0.009	0.000	0.000	0.000	0.000
61	A	61	LYS	1	0.891	0.947	41.316	-0.016	-0.016	0.000	0.000	0.000	0.000
62	A	62	LEU	0	-0.042	-0.016	40.627	-0.002	-0.002	0.000	0.000	0.000	0.000
63	A	63	ARG	1	0.889	0.945	39.661	0.001	0.001	0.000	0.000	0.000	0.000
64	A	64	VAL	0	-0.004	0.008	40.807	-0.005	-0.005	0.000	0.000	0.000	0.000
65	A	65	CYS	0	-0.021	-0.011	38.706	0.005	0.005	0.000	0.000	0.000	0.000
66	A	66	GLN	0	0.017	0.022	40.758	-0.006	-0.006	0.000	0.000	0.000	0.000
67	A	67	VAL	0	0.018	-0.006	35.121	0.003	0.003	0.000	0.000	0.000	0.000
68	A	68	SER	0	0.021	0.023	36.897	-0.006	-0.006	0.000	0.000	0.000	0.000
69	A	69	ASN	0	0.055	-0.001	34.587	0.002	0.002	0.000	0.000	0.000	0.000
70	A	70	GLY	0	0.058	0.033	34.816	-0.008	-0.008	0.000	0.000	0.000	0.000
71	A	71	SER	0	-0.110	-0.056	36.229	-0.003	-0.003	0.000	0.000	0.000	0.000
72	A	72	GLU	-1	-0.934	-0.957	39.274	-0.072	-0.072	0.000	0.000	0.000	0.000
73	A	73	THR	0	-0.044	-0.033	39.587	0.000	0.000	0.000	0.000	0.000	0.000
74	A	74	PHE	0	-0.003	0.000	38.822	0.002	0.002	0.000	0.000	0.000	0.000
75	A	75	GLN	0	-0.005	0.003	40.912	0.005	0.005	0.000	0.000	0.000	0.000
76	A	76	VAL	0	-0.003	-0.019	36.970	-0.004	-0.004	0.000	0.000	0.000	0.000
77	A	77	VAL	0	-0.030	-0.013	40.327	0.005	0.005	0.000	0.000	0.000	0.000
78	A	78	CYS	0	-0.022	0.011	34.742	-0.004	-0.004	0.000	0.000	0.000	0.000
79	A	79	GLY	0	0.056	0.007	36.784	0.004	0.004	0.000	0.000	0.000	0.000
80	A	80	ALA	0	0.012	0.020	32.286	0.006	0.006	0.000	0.000	0.000	0.000
81	A	81	PRO	0	-0.003	-0.007	32.588	-0.002	-0.002	0.000	0.000	0.000	0.000
82	A	82	ASN	0	-0.017	-0.006	29.007	0.000	0.000	0.000	0.000	0.000	0.000
83	A	83	VAL	0	-0.015	0.003	33.038	-0.004	-0.004	0.000	0.000	0.000	0.000
84	A	84	ARG	1	0.787	0.842	29.857	-0.017	-0.017	0.000	0.000	0.000	0.000
85	A	85	ALA	0	0.003	-0.011	35.469	-0.006	-0.006	0.000	0.000	0.000	0.000
86	A	86	GLY	0	0.018	0.014	35.298	0.006	0.006	0.000	0.000	0.000	0.000
87	A	87	LEU	0	-0.035	-0.007	29.620	0.001	0.001	0.000	0.000	0.000	0.000
88	A	88	LYS	1	0.824	0.919	28.253	0.065	0.065	0.000	0.000	0.000	0.000
89	A	89	ILE	0	-0.001	-0.005	27.920	0.007	0.007	0.000	0.000	0.000	0.000
90	A	90	PRO	0	0.033	0.019	25.459	-0.010	-0.010	0.000	0.000	0.000	0.000
91	A	91	PHE	0	-0.020	0.000	28.266	0.011	0.011	0.000	0.000	0.000	0.000
92	A	92	ALA	0	0.026	0.013	31.149	-0.013	-0.013	0.000	0.000	0.000	0.000
93	A	93	MET	0	0.027	0.023	32.625	0.013	0.013	0.000	0.000	0.000	0.000
94	A	94	ILE	0	-0.003	-0.016	35.845	-0.001	-0.001	0.000	0.000	0.000	0.000
95	A	95	GLY	0	-0.044	-0.020	37.866	-0.003	-0.003	0.000	0.000	0.000	0.000
96	A	96	ALA	0	-0.031	0.005	32.296	-0.009	-0.009	0.000	0.000	0.000	0.000
97	A	97	GLU	-1	-0.819	-0.895	31.316	-0.138	-0.138	0.000	0.000	0.000	0.000
98	A	98	LEU	0	-0.003	-0.004	28.569	-0.015	-0.015	0.000	0.000	0.000	0.000
99	A	99	PRO	0	0.013	0.007	25.211	-0.003	-0.003	0.000	0.000	0.000	0.000
100	A	100	ASP	-1	-0.889	-0.951	26.653	-0.165	-0.165	0.000	0.000	0.000	0.000
101	A	101	ASP	-1	-0.921	-0.951	29.259	-0.162	-0.162	0.000	0.000	0.000	0.000
102	A	102	PHE	0	-0.016	0.004	31.226	0.018	0.018	0.000	0.000	0.000	0.000
103	A	103	LYS	1	0.787	0.883	33.284	0.137	0.137	0.000	0.000	0.000	0.000
104	A	104	ILE	0	0.011	0.021	33.198	0.014	0.014	0.000	0.000	0.000	0.000
105	A	105	LYS	1	0.840	0.898	36.534	0.093	0.093	0.000	0.000	0.000	0.000
106	A	106	LYS	1	0.847	0.935	40.321	0.057	0.057	0.000	0.000	0.000	0.000
107	A	107	ALA	0	0.008	0.002	42.187	0.001	0.001	0.000	0.000	0.000	0.000
108	A	108	LYS	1	0.848	0.893	44.039	0.037	0.037	0.000	0.000	0.000	0.000
109	A	109	LEU	0	0.081	0.050	40.532	0.003	0.003	0.000	0.000	0.000	0.000
110	A	110	ARG	1	0.944	0.968	45.264	0.017	0.017	0.000	0.000	0.000	0.000
111	A	111	GLY	0	0.027	0.031	48.281	0.003	0.003	0.000	0.000	0.000	0.000
112	A	112	VAL	0	-0.020	0.001	45.989	-0.002	-0.002	0.000	0.000	0.000	0.000
113	A	113	GLU	-1	-0.840	-0.897	46.261	-0.046	-0.046	0.000	0.000	0.000	0.000
114	A	114	SER	0	0.030	0.027	39.864	0.003	0.003	0.000	0.000	0.000	0.000
115	A	115	PHE	0	0.007	-0.026	41.586	-0.002	-0.002	0.000	0.000	0.000	0.000
116	A	116	GLY	0	0.050	0.025	37.382	-0.006	-0.006	0.000	0.000	0.000	0.000
117	A	117	MET	0	-0.040	-0.009	31.188	0.006	0.006	0.000	0.000	0.000	0.000
118	A	118	LEU	0	-0.013	-0.004	32.085	-0.006	-0.006	0.000	0.000	0.000	0.000
119	A	119	CYS	0	-0.015	0.002	27.733	0.002	0.002	0.000	0.000	0.000	0.000
120	A	120	SER	0	0.032	0.012	26.547	-0.002	-0.002	0.000	0.000	0.000	0.000
121	A	121	ALA	0	0.019	0.003	20.933	-0.019	-0.019	0.000	0.000	0.000	0.000
122	A	122	LYS	1	0.820	0.898	20.826	0.063	0.063	0.000	0.000	0.000	0.000
123	A	123	GLU	-1	-0.886	-0.943	24.201	-0.084	-0.084	0.000	0.000	0.000	0.000
124	A	124	LEU	0	-0.016	-0.015	23.468	-0.011	-0.011	0.000	0.000	0.000	0.000
125	A	125	GLN	0	-0.091	-0.048	21.520	-0.064	-0.064	0.000	0.000	0.000	0.000
126	A	126	ILE	0	0.018	0.021	17.764	-0.045	-0.045	0.000	0.000	0.000	0.000
127	A	127	SER	0	0.036	0.005	17.274	-0.004	-0.004	0.000	0.000	0.000	0.000
128	A	128	GLU	-1	-0.774	-0.869	17.956	-0.043	-0.043	0.000	0.000	0.000	0.000
129	A	129	GLU	-1	-0.802	-0.884	21.188	0.057	0.057	0.000	0.000	0.000	0.000
130	A	130	ASN	0	-0.004	-0.012	23.063	-0.044	-0.044	0.000	0.000	0.000	0.000
131	A	131	ALA	0	-0.027	-0.005	26.650	-0.002	-0.002	0.000	0.000	0.000	0.000
132	A	132	GLY	0	-0.026	-0.019	27.706	0.001	0.001	0.000	0.000	0.000	0.000
133	A	133	LEU	0	-0.048	-0.038	27.826	-0.009	-0.009	0.000	0.000	0.000	0.000
134	A	134	LEU	0	0.014	-0.001	21.290	0.013	0.013	0.000	0.000	0.000	0.000
135	A	135	GLU	-1	-0.770	-0.853	25.322	0.009	0.009	0.000	0.000	0.000	0.000
136	A	136	LEU	0	-0.025	-0.004	23.363	-0.002	-0.002	0.000	0.000	0.000	0.000
137	A	137	PRO	0	0.029	0.013	21.885	0.015	0.015	0.000	0.000	0.000	0.000
138	A	138	ALA	0	0.054	0.023	24.843	-0.011	-0.011	0.000	0.000	0.000	0.000
139	A	139	ASP	-1	-0.892	-0.950	24.607	-0.086	-0.086	0.000	0.000	0.000	0.000
140	A	140	ALA	0	-0.014	0.015	25.836	-0.012	-0.012	0.000	0.000	0.000	0.000
141	A	141	PRO	0	-0.001	0.000	25.899	0.011	0.011	0.000	0.000	0.000	0.000
142	A	142	VAL	0	0.011	-0.009	28.918	-0.010	-0.010	0.000	0.000	0.000	0.000
143	A	143	GLY	0	0.010	0.013	31.563	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	144	GLN	0	-0.057	-0.026	24.910	-0.016	-0.016	0.000	0.000	0.000	0.000
145	A	145	ASP	-1	-0.781	-0.878	25.123	-0.250	-0.250	0.000	0.000	0.000	0.000
146	A	146	VAL	0	0.032	0.008	22.882	-0.011	-0.011	0.000	0.000	0.000	0.000
147	A	147	ARG	1	0.801	0.887	19.611	0.362	0.362	0.000	0.000	0.000	0.000
148	A	148	THR	0	-0.069	-0.046	20.621	-0.044	-0.044	0.000	0.000	0.000	0.000
149	A	149	TYR	0	-0.006	-0.009	20.919	-0.019	-0.019	0.000	0.000	0.000	0.000
150	A	150	LEU	0	-0.024	-0.007	18.678	0.006	0.006	0.000	0.000	0.000	0.000
151	A	151	GLU	-1	-0.888	-0.954	15.744	-0.543	-0.543	0.000	0.000	0.000	0.000
152	A	152	LEU	0	0.020	0.013	16.056	-0.072	-0.072	0.000	0.000	0.000	0.000
153	A	153	ALA	0	-0.045	-0.004	17.855	-0.019	-0.019	0.000	0.000	0.000	0.000
154	A	154	ASP	-1	-0.719	-0.831	11.845	-1.064	-1.064	0.000	0.000	0.000	0.000
155	A	155	TYR	0	0.001	-0.003	12.280	0.134	0.134	0.000	0.000	0.000	0.000
156	A	156	THR	0	-0.027	-0.012	7.775	-0.163	-0.163	0.000	0.000	0.000	0.000
157	A	157	ILE	0	-0.009	-0.016	6.992	0.367	0.367	0.000	0.000	0.000	0.000
158	A	158	GLU	-1	-0.834	-0.910	3.167	-5.065	-4.189	0.026	-0.352	-0.551	0.000
159	A	159	VAL	0	-0.005	-0.013	3.018	1.203	2.266	0.037	-0.305	-0.795	0.000
160	A	160	GLY	0	0.098	0.069	2.272	-7.789	-5.538	1.768	-2.009	-2.009	-0.028
161	A	161	LEU	0	-0.106	-0.053	2.383	0.581	0.900	2.289	-0.657	-1.950	-0.001
162	A	162	THR	0	0.046	0.015	5.462	0.826	0.826	0.000	0.000	0.000	0.000
163	A	163	PRO	0	-0.026	-0.028	8.524	0.247	0.247	0.000	0.000	0.000	0.000
164	A	164	ASN	0	-0.018	-0.006	10.177	0.159	0.159	0.000	0.000	0.000	0.000
165	A	165	ARG	1	0.750	0.841	7.811	0.310	0.310	0.000	0.000	0.000	0.000
166	A	166	GLY	0	0.055	0.020	6.715	0.175	0.175	0.000	0.000	0.000	0.000
167	A	167	ASP	-1	-0.762	-0.863	6.883	0.454	0.454	0.000	0.000	0.000	0.000
168	A	168	CYS	0	-0.050	-0.003	4.508	-0.303	-0.114	-0.001	-0.039	-0.148	0.000
169	A	169	LEU	0	-0.005	0.005	2.445	-6.490	-4.336	3.614	-1.881	-3.887	-0.017
170	A	170	SER	0	0.028	-0.003	2.738	2.541	2.367	2.708	0.291	-2.825	-0.010
171	A	171	LEU	0	-0.001	0.002	2.938	-1.651	-1.697	0.462	0.516	-0.932	-0.004
172	A	172	ALA	0	-0.013	-0.004	4.259	0.109	0.163	0.000	-0.006	-0.048	0.000
173	A	173	GLY	0	-0.005	0.002	5.892	0.076	0.076	0.000	0.000	0.000	0.000
174	A	174	LEU	0	0.022	0.011	2.447	-0.598	-0.102	1.590	-0.382	-1.704	0.000
175	A	175	ALA	0	-0.020	-0.014	6.178	0.289	0.289	0.000	0.000	0.000	0.000
176	A	176	ARG	1	0.864	0.923	8.895	0.357	0.357	0.000	0.000	0.000	0.000
177	A	177	GLU	-1	-0.700	-0.810	8.819	-0.647	-0.647	0.000	0.000	0.000	0.000
178	A	178	VAL	0	-0.007	-0.002	10.000	0.135	0.135	0.000	0.000	0.000	0.000
179	A	179	SER	0	-0.017	-0.029	12.189	0.116	0.116	0.000	0.000	0.000	0.000
180	A	180	ALA	0	-0.013	-0.003	14.276	0.090	0.090	0.000	0.000	0.000	0.000
181	A	181	ILE	0	-0.058	-0.025	11.643	0.058	0.058	0.000	0.000	0.000	0.000
182	A	182	TYR	0	-0.016	-0.027	14.267	0.005	0.005	0.000	0.000	0.000	0.000
183	A	183	ASP	-1	-0.858	-0.887	18.065	-0.310	-0.310	0.000	0.000	0.000	0.000
184	A	184	VAL	0	-0.022	0.000	16.391	0.044	0.044	0.000	0.000	0.000	0.000
185	A	185	PRO	0	-0.059	-0.038	17.325	-0.022	-0.022	0.000	0.000	0.000	0.000
186	A	186	LEU	0	0.034	0.022	11.477	-0.026	-0.026	0.000	0.000	0.000	0.000
187	A	187	ALA	0	-0.053	-0.029	14.849	0.084	0.084	0.000	0.000	0.000	0.000
188	A	188	PRO	0	-0.006	0.001	12.900	-0.034	-0.034	0.000	0.000	0.000	0.000
189	A	189	VAL	0	-0.031	-0.003	11.878	0.062	0.062	0.000	0.000	0.000	0.000
190	A	190	ALA	0	0.037	0.016	14.347	0.055	0.055	0.000	0.000	0.000	0.000
191	A	191	VAL	0	-0.049	-0.043	14.729	0.009	0.009	0.000	0.000	0.000	0.000
192	A	192	ASP	-1	-0.897	-0.931	18.029	0.001	0.001	0.000	0.000	0.000	0.000
193	A	193	ALA	0	-0.005	0.004	21.212	0.016	0.016	0.000	0.000	0.000	0.000
194	A	194	VAL	0	-0.041	-0.017	21.413	-0.022	-0.022	0.000	0.000	0.000	0.000
195	A	195	ALA	0	-0.019	-0.007	24.158	0.014	0.014	0.000	0.000	0.000	0.000
196	A	196	ALA	0	0.001	0.005	27.850	0.005	0.005	0.000	0.000	0.000	0.000
197	A	197	GLN	0	-0.035	-0.025	28.503	-0.012	-0.012	0.000	0.000	0.000	0.000
198	A	198	HIS	0	-0.029	-0.018	29.595	-0.012	-0.012	0.000	0.000	0.000	0.000
199	A	199	ASP	-1	-0.862	-0.944	31.775	0.123	0.123	0.000	0.000	0.000	0.000
200	A	200	GLU	-1	-0.851	-0.901	31.831	0.196	0.196	0.000	0.000	0.000	0.000
201	A	201	THR	0	-0.014	-0.012	29.504	0.010	0.010	0.000	0.000	0.000	0.000
202	A	202	ARG	1	0.848	0.906	28.865	-0.231	-0.231	0.000	0.000	0.000	0.000
203	A	203	PRO	0	-0.008	0.003	29.507	0.008	0.008	0.000	0.000	0.000	0.000
204	A	204	VAL	0	0.058	0.027	25.777	0.014	0.014	0.000	0.000	0.000	0.000
205	A	205	GLU	-1	-0.837	-0.887	28.825	0.238	0.238	0.000	0.000	0.000	0.000
206	A	206	LEU	0	0.007	0.005	24.776	0.016	0.016	0.000	0.000	0.000	0.000
207	A	207	ALA	0	0.001	-0.003	28.749	-0.016	-0.016	0.000	0.000	0.000	0.000
208	A	208	ALA	0	0.003	0.007	27.525	-0.012	-0.012	0.000	0.000	0.000	0.000
209	A	209	PRO	0	-0.011	0.000	26.772	0.032	0.032	0.000	0.000	0.000	0.000
210	A	210	ALA	0	-0.043	-0.033	26.233	0.013	0.013	0.000	0.000	0.000	0.000
211	A	211	ALA	0	0.038	0.024	23.329	0.017	0.017	0.000	0.000	0.000	0.000
212	A	212	CYS	0	-0.059	-0.013	20.896	0.065	0.065	0.000	0.000	0.000	0.000
213	A	213	PRO	0	0.008	0.020	21.773	-0.038	-0.038	0.000	0.000	0.000	0.000
214	A	214	ARG	1	0.835	0.904	19.900	-0.366	-0.366	0.000	0.000	0.000	0.000
215	A	215	TYR	0	-0.034	-0.052	20.698	0.037	0.037	0.000	0.000	0.000	0.000
216	A	216	LEU	0	-0.037	-0.013	19.577	-0.056	-0.056	0.000	0.000	0.000	0.000
217	A	217	GLY	0	0.028	0.005	20.833	0.051	0.051	0.000	0.000	0.000	0.000
218	A	218	ARG	1	0.749	0.846	21.999	-0.239	-0.239	0.000	0.000	0.000	0.000
219	A	219	VAL	0	0.023	0.031	23.934	0.021	0.021	0.000	0.000	0.000	0.000
220	A	220	ILE	0	-0.017	-0.012	21.796	-0.015	-0.015	0.000	0.000	0.000	0.000
221	A	221	ARG	1	0.811	0.888	26.058	-0.143	-0.143	0.000	0.000	0.000	0.000
222	A	222	ASN	0	-0.065	-0.054	28.518	-0.004	-0.004	0.000	0.000	0.000	0.000
223	A	223	VAL	0	-0.018	0.004	24.206	-0.011	-0.011	0.000	0.000	0.000	0.000
224	A	224	ASP	-1	-0.840	-0.908	26.836	0.133	0.133	0.000	0.000	0.000	0.000
225	A	225	LEU	0	0.000	-0.025	23.337	-0.002	-0.002	0.000	0.000	0.000	0.000
226	A	226	SER	0	-0.101	-0.057	25.061	0.003	0.003	0.000	0.000	0.000	0.000
227	A	227	ARG	1	0.797	0.921	24.079	-0.123	-0.123	0.000	0.000	0.000	0.000
228	A	228	PRO	0	0.010	0.010	22.096	0.023	0.023	0.000	0.000	0.000	0.000
229	A	229	THR	0	0.023	-0.026	15.364	-0.020	-0.020	0.000	0.000	0.000	0.000
230	A	230	PRO	0	-0.029	0.008	16.922	-0.029	-0.029	0.000	0.000	0.000	0.000
231	A	231	LEU	0	0.057	0.011	16.767	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	232	TRP	0	0.034	0.009	12.723	-0.023	-0.023	0.000	0.000	0.000	0.000
233	A	233	MET	0	-0.029	0.006	12.149	-0.075	-0.075	0.000	0.000	0.000	0.000
234	A	234	VAL	0	0.021	0.008	11.905	0.029	0.029	0.000	0.000	0.000	0.000
235	A	235	GLU	-1	-0.779	-0.852	12.859	-0.296	-0.296	0.000	0.000	0.000	0.000
236	A	236	ARG	1	0.891	0.953	8.999	0.344	0.344	0.000	0.000	0.000	0.000
237	A	237	LEU	0	-0.006	0.009	7.933	-0.102	-0.102	0.000	0.000	0.000	0.000
238	A	238	ARG	1	0.811	0.869	8.650	0.453	0.453	0.000	0.000	0.000	0.000
239	A	239	ARG	1	0.681	0.807	8.700	0.539	0.539	0.000	0.000	0.000	0.000
240	A	240	SER	0	0.001	-0.025	3.561	-1.032	-0.884	0.001	-0.029	-0.120	0.000
241	A	241	ASP	-1	-0.851	-0.910	6.075	0.544	0.544	0.000	0.000	0.000	0.000
242	A	242	ILE	0	-0.045	-0.012	5.959	0.083	0.083	0.000	0.000	0.000	0.000
243	A	243	ARG	1	0.814	0.877	9.911	-0.496	-0.496	0.000	0.000	0.000	0.000
244	A	244	SER	0	-0.076	-0.060	13.661	0.076	0.076	0.000	0.000	0.000	0.000
245	A	245	ILE	0	-0.049	-0.028	15.249	-0.013	-0.013	0.000	0.000	0.000	0.000
246	A	246	ASP	-1	-0.780	-0.895	17.248	0.407	0.407	0.000	0.000	0.000	0.000
247	A	247	PRO	0	0.021	0.019	17.176	0.051	0.051	0.000	0.000	0.000	0.000
248	A	248	VAL	0	-0.020	-0.014	17.021	0.005	0.005	0.000	0.000	0.000	0.000
249	A	249	VAL	0	0.032	0.015	14.604	0.068	0.068	0.000	0.000	0.000	0.000
250	A	250	ASP	-1	-0.733	-0.819	12.945	0.578	0.578	0.000	0.000	0.000	0.000
251	A	251	VAL	0	0.009	-0.004	11.847	0.039	0.039	0.000	0.000	0.000	0.000
252	A	252	THR	0	-0.072	-0.036	11.897	0.036	0.036	0.000	0.000	0.000	0.000
253	A	253	ASN	0	0.036	0.010	9.164	0.378	0.378	0.000	0.000	0.000	0.000
254	A	254	TYR	0	-0.052	-0.053	7.480	0.130	0.130	0.000	0.000	0.000	0.000
255	A	255	VAL	0	-0.019	-0.022	7.593	-0.160	-0.160	0.000	0.000	0.000	0.000
256	A	256	MET	0	-0.017	0.018	6.448	-0.016	-0.016	0.000	0.000	0.000	0.000
257	A	257	ILE	0	0.001	0.007	2.390	-0.470	-0.143	2.279	-0.391	-2.215	-0.001
258	A	258	GLU	-1	-0.741	-0.830	3.248	-2.568	-1.744	0.062	-0.439	-0.448	-0.004
259	A	259	LEU	0	-0.055	-0.049	6.044	-0.270	-0.270	0.000	0.000	0.000	0.000
260	A	260	GLY	0	0.054	0.030	6.205	-0.108	-0.108	0.000	0.000	0.000	0.000
261	A	261	GLN	0	-0.099	-0.068	7.067	0.136	0.136	0.000	0.000	0.000	0.000
262	A	262	PRO	0	0.003	0.000	9.727	-0.050	-0.050	0.000	0.000	0.000	0.000
263	A	263	MET	0	-0.061	-0.016	10.947	-0.258	-0.258	0.000	0.000	0.000	0.000
264	A	264	HIS	0	0.013	0.013	13.883	0.134	0.134	0.000	0.000	0.000	0.000
265	A	265	ALA	0	0.007	-0.009	16.779	-0.071	-0.071	0.000	0.000	0.000	0.000
266	A	266	PHE	0	-0.015	0.006	19.717	0.029	0.029	0.000	0.000	0.000	0.000
267	A	267	ASP	-1	-0.730	-0.835	23.300	0.242	0.242	0.000	0.000	0.000	0.000
268	A	268	LEU	0	-0.069	-0.038	26.465	0.003	0.003	0.000	0.000	0.000	0.000
269	A	269	ALA	0	-0.043	-0.029	28.519	-0.011	-0.011	0.000	0.000	0.000	0.000
270	A	270	GLU	-1	-0.852	-0.916	28.419	0.257	0.257	0.000	0.000	0.000	0.000
271	A	271	ILE	0	-0.061	-0.003	25.530	0.013	0.013	0.000	0.000	0.000	0.000
272	A	272	ASN	0	-0.034	-0.037	29.924	-0.037	-0.037	0.000	0.000	0.000	0.000
273	A	273	GLY	0	-0.003	-0.010	33.537	0.002	0.002	0.000	0.000	0.000	0.000
274	A	274	GLY	0	-0.024	-0.021	30.431	-0.005	-0.005	0.000	0.000	0.000	0.000
275	A	275	VAL	0	0.047	0.033	25.124	-0.004	-0.004	0.000	0.000	0.000	0.000
276	A	276	ARG	1	0.800	0.882	28.189	-0.293	-0.293	0.000	0.000	0.000	0.000
277	A	277	VAL	0	0.026	0.014	23.972	0.025	0.025	0.000	0.000	0.000	0.000
278	A	278	ARG	1	0.723	0.826	26.842	-0.363	-0.363	0.000	0.000	0.000	0.000
279	A	279	MET	0	0.019	0.017	25.664	0.044	0.044	0.000	0.000	0.000	0.000
280	A	280	ALA	0	0.013	0.011	27.664	-0.020	-0.020	0.000	0.000	0.000	0.000
281	A	281	GLU	-1	-0.900	-0.944	29.388	0.262	0.262	0.000	0.000	0.000	0.000
282	A	282	ASP	-1	-0.864	-0.942	32.325	0.322	0.322	0.000	0.000	0.000	0.000
283	A	283	GLY	0	-0.046	-0.015	32.487	-0.020	-0.020	0.000	0.000	0.000	0.000
284	A	284	GLU	-1	-0.803	-0.870	30.843	0.351	0.351	0.000	0.000	0.000	0.000
285	A	285	LYS	1	0.777	0.855	30.383	-0.286	-0.286	0.000	0.000	0.000	0.000
286	A	286	LEU	0	-0.026	-0.008	24.830	-0.012	-0.012	0.000	0.000	0.000	0.000
287	A	287	VAL	0	0.006	0.019	26.739	0.020	0.020	0.000	0.000	0.000	0.000
288	A	288	LEU	0	0.009	0.000	20.600	0.009	0.009	0.000	0.000	0.000	0.000
289	A	289	LEU	0	-0.004	-0.009	18.242	-0.034	-0.034	0.000	0.000	0.000	0.000
290	A	290	ASP	-1	-0.818	-0.904	20.053	0.629	0.629	0.000	0.000	0.000	0.000
291	A	291	GLY	0	0.008	0.012	22.158	-0.038	-0.038	0.000	0.000	0.000	0.000
292	A	292	GLN	0	-0.124	-0.077	20.264	-0.070	-0.070	0.000	0.000	0.000	0.000
293	A	293	GLU	-1	-0.830	-0.890	25.113	0.338	0.338	0.000	0.000	0.000	0.000
294	A	294	ILE	0	0.018	0.019	23.268	-0.006	-0.006	0.000	0.000	0.000	0.000
295	A	295	THR	0	-0.015	-0.017	26.879	-0.027	-0.027	0.000	0.000	0.000	0.000
296	A	296	LEU	0	-0.028	-0.022	25.567	0.023	0.023	0.000	0.000	0.000	0.000
297	A	297	ARG	1	0.870	0.915	24.164	-0.521	-0.521	0.000	0.000	0.000	0.000
298	A	298	ALA	0	0.032	0.014	28.107	0.030	0.030	0.000	0.000	0.000	0.000
299	A	299	ASP	-1	-0.864	-0.909	25.402	0.475	0.475	0.000	0.000	0.000	0.000
300	A	300	THR	0	-0.023	0.003	22.768	0.053	0.053	0.000	0.000	0.000	0.000
301	A	301	LEU	0	0.014	0.004	21.840	-0.037	-0.037	0.000	0.000	0.000	0.000
302	A	302	VAL	0	-0.031	-0.017	23.227	0.053	0.053	0.000	0.000	0.000	0.000
303	A	303	ILE	0	-0.010	0.010	19.945	-0.031	-0.031	0.000	0.000	0.000	0.000
304	A	304	ALA	0	0.040	0.015	24.545	0.000	0.000	0.000	0.000	0.000	0.000
305	A	305	ASP	-1	-0.704	-0.833	27.965	0.300	0.300	0.000	0.000	0.000	0.000
306	A	306	HIS	1	0.700	0.825	30.607	-0.264	-0.264	0.000	0.000	0.000	0.000
307	A	307	GLN	0	-0.032	-0.012	33.584	-0.017	-0.017	0.000	0.000	0.000	0.000
308	A	308	ARG	1	0.884	0.947	30.683	-0.298	-0.298	0.000	0.000	0.000	0.000
309	A	309	ALA	0	0.056	0.029	27.470	0.008	0.008	0.000	0.000	0.000	0.000
310	A	310	LEU	0	-0.050	-0.026	25.646	-0.013	-0.013	0.000	0.000	0.000	0.000
311	A	311	ALA	0	0.031	0.017	20.935	0.020	0.020	0.000	0.000	0.000	0.000
312	A	312	ILE	0	0.037	0.032	20.891	-0.039	-0.039	0.000	0.000	0.000	0.000
313	A	313	ALA	0	0.005	-0.009	19.643	0.087	0.087	0.000	0.000	0.000	0.000
314	A	314	GLY	0	0.014	0.004	16.069	0.031	0.031	0.000	0.000	0.000	0.000
315	A	315	VAL	0	-0.042	-0.019	14.716	0.226	0.226	0.000	0.000	0.000	0.000
316	A	316	MET	0	-0.005	0.010	15.524	0.171	0.171	0.000	0.000	0.000	0.000
317	A	317	GLY	0	0.064	0.038	18.055	-0.080	-0.080	0.000	0.000	0.000	0.000
318	A	318	GLY	0	0.007	-0.003	20.540	0.002	0.002	0.000	0.000	0.000	0.000
319	A	319	GLU	-1	-0.955	-0.985	23.835	0.359	0.359	0.000	0.000	0.000	0.000
320	A	320	HIS	0	-0.073	-0.053	26.026	-0.007	-0.007	0.000	0.000	0.000	0.000
321	A	321	SER	0	-0.072	-0.038	24.634	-0.015	-0.015	0.000	0.000	0.000	0.000
322	A	322	GLY	0	0.056	0.028	22.956	0.016	0.016	0.000	0.000	0.000	0.000
323	A	323	VAL	0	-0.008	-0.009	21.295	-0.038	-0.038	0.000	0.000	0.000	0.000
324	A	324	SER	0	0.024	0.019	23.955	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	325	ASP	-1	-0.872	-0.941	26.799	0.223	0.223	0.000	0.000	0.000	0.000
326	A	326	SER	0	-0.061	-0.048	29.026	-0.022	-0.022	0.000	0.000	0.000	0.000
327	A	327	THR	0	-0.053	-0.036	25.534	-0.005	-0.005	0.000	0.000	0.000	0.000
328	A	328	ARG	1	0.846	0.918	28.716	-0.188	-0.188	0.000	0.000	0.000	0.000
329	A	329	ASP	-1	-0.858	-0.921	27.984	0.177	0.177	0.000	0.000	0.000	0.000
330	A	330	LEU	0	0.025	0.015	21.489	0.017	0.017	0.000	0.000	0.000	0.000
331	A	331	PHE	0	-0.011	-0.017	23.892	-0.032	-0.032	0.000	0.000	0.000	0.000
332	A	332	LEU	0	0.000	0.002	18.490	0.035	0.035	0.000	0.000	0.000	0.000
333	A	333	GLU	-1	-0.808	-0.891	17.945	0.664	0.664	0.000	0.000	0.000	0.000
334	A	334	ALA	0	0.012	0.000	15.842	0.073	0.073	0.000	0.000	0.000	0.000
335	A	335	ALA	0	0.001	-0.001	16.166	-0.089	-0.089	0.000	0.000	0.000	0.000
336	A	336	PHE	0	0.028	0.019	16.040	0.087	0.087	0.000	0.000	0.000	0.000
337	A	337	PHE	0	0.022	-0.007	16.751	-0.103	-0.103	0.000	0.000	0.000	0.000
338	A	338	ASP	-1	-0.819	-0.920	17.542	0.622	0.622	0.000	0.000	0.000	0.000
339	A	339	THR	0	0.004	0.008	14.958	0.000	0.000	0.000	0.000	0.000	0.000
340	A	340	ILE	0	-0.021	-0.007	17.054	0.028	0.028	0.000	0.000	0.000	0.000
341	A	341	ALA	0	-0.043	-0.027	20.128	-0.006	-0.006	0.000	0.000	0.000	0.000
342	A	342	LEU	0	0.006	-0.005	16.435	-0.019	-0.019	0.000	0.000	0.000	0.000
343	A	343	ALA	0	0.002	0.021	16.962	0.075	0.075	0.000	0.000	0.000	0.000
344	A	344	GLY	0	-0.028	-0.013	16.678	-0.099	-0.099	0.000	0.000	0.000	0.000
345	A	345	LYS	1	0.786	0.885	18.108	-0.627	-0.627	0.000	0.000	0.000	0.000
346	A	346	ALA	0	0.048	0.042	15.440	-0.068	-0.068	0.000	0.000	0.000	0.000
347	A	347	ARG	1	0.993	0.992	13.593	-1.039	-1.039	0.000	0.000	0.000	0.000
348	A	348	SER	0	-0.096	-0.046	18.054	-0.105	-0.105	0.000	0.000	0.000	0.000
349	A	349	TYR	0	-0.032	-0.041	20.802	-0.094	-0.094	0.000	0.000	0.000	0.000
350	A	350	GLY	0	-0.017	0.000	19.563	-0.023	-0.023	0.000	0.000	0.000	0.000
351	A	351	LEU	0	-0.023	-0.002	16.972	0.032	0.032	0.000	0.000	0.000	0.000
352	A	352	HIS	0	-0.026	-0.037	9.241	-0.413	-0.413	0.000	0.000	0.000	0.000
353	A	353	THR	0	0.002	-0.001	11.270	0.026	0.026	0.000	0.000	0.000	0.000
354	A	354	ASP	-1	-0.793	-0.881	5.939	6.460	6.460	0.000	0.000	0.000	0.000
355	A	355	SER	0	0.017	0.007	8.611	0.436	0.436	0.000	0.000	0.000	0.000
356	A	356	SER	0	0.036	0.012	11.246	-0.006	-0.006	0.000	0.000	0.000	0.000
357	A	357	HIS	0	-0.013	-0.002	5.096	-1.173	-1.173	0.000	0.000	0.000	0.000
358	A	358	ARG	1	0.803	0.879	3.085	-10.921	-10.281	1.030	-0.504	-1.165	0.005
359	A	359	PHE	0	0.012	-0.006	9.085	-0.413	-0.413	0.000	0.000	0.000	0.000
360	A	360	GLU	-1	-0.890	-0.953	12.458	1.023	1.023	0.000	0.000	0.000	0.000
361	A	361	ARG	1	0.804	0.903	8.048	-1.842	-1.842	0.000	0.000	0.000	0.000
362	A	362	GLY	0	0.007	0.005	11.038	-0.232	-0.232	0.000	0.000	0.000	0.000
363	A	363	VAL	0	-0.022	0.006	10.585	0.167	0.167	0.000	0.000	0.000	0.000
364	A	364	ASP	-1	-0.736	-0.862	11.926	0.189	0.189	0.000	0.000	0.000	0.000
365	A	365	SER	0	-0.015	-0.006	13.861	0.008	0.008	0.000	0.000	0.000	0.000
366	A	366	GLN	0	-0.063	-0.050	16.706	-0.051	-0.051	0.000	0.000	0.000	0.000
367	A	367	LEU	0	-0.028	-0.009	10.295	-0.036	-0.036	0.000	0.000	0.000	0.000
368	A	368	ALA	0	0.054	0.029	15.003	-0.027	-0.027	0.000	0.000	0.000	0.000
369	A	369	ARG	1	0.884	0.922	16.120	-0.242	-0.242	0.000	0.000	0.000	0.000
370	A	370	LYS	1	0.896	0.948	13.664	0.025	0.025	0.000	0.000	0.000	0.000
371	A	371	ALA	0	0.020	0.009	12.743	-0.034	-0.034	0.000	0.000	0.000	0.000
372	A	372	MET	0	0.048	0.034	14.096	-0.016	-0.016	0.000	0.000	0.000	0.000
373	A	373	GLU	-1	-0.806	-0.881	17.433	0.149	0.149	0.000	0.000	0.000	0.000
374	A	374	ARG	1	0.831	0.898	11.922	0.002	0.002	0.000	0.000	0.000	0.000
375	A	375	ALA	0	0.046	0.009	14.807	-0.023	-0.023	0.000	0.000	0.000	0.000
376	A	376	THR	0	-0.004	-0.018	15.977	-0.018	-0.018	0.000	0.000	0.000	0.000
377	A	377	ARG	1	0.834	0.914	18.033	-0.082	-0.082	0.000	0.000	0.000	0.000
378	A	378	LEU	0	0.027	0.013	13.296	-0.020	-0.020	0.000	0.000	0.000	0.000
379	A	379	ILE	0	0.027	0.025	17.675	-0.006	-0.006	0.000	0.000	0.000	0.000
380	A	380	LEU	0	-0.028	-0.005	19.971	-0.016	-0.016	0.000	0.000	0.000	0.000
381	A	381	ASP	-1	-0.907	-0.964	19.756	0.043	0.043	0.000	0.000	0.000	0.000
382	A	382	ILE	0	-0.065	-0.036	17.566	-0.018	-0.018	0.000	0.000	0.000	0.000
383	A	383	VAL	0	0.001	0.000	20.931	-0.007	-0.007	0.000	0.000	0.000	0.000
384	A	384	GLY	0	-0.034	-0.006	23.648	-0.009	-0.009	0.000	0.000	0.000	0.000
385	A	385	GLY	0	0.062	0.029	25.120	0.020	0.020	0.000	0.000	0.000	0.000
386	A	386	GLU	-1	-0.862	-0.919	27.755	0.114	0.114	0.000	0.000	0.000	0.000
387	A	387	PRO	0	0.010	0.023	24.860	0.015	0.015	0.000	0.000	0.000	0.000
388	A	388	GLY	0	0.052	0.038	26.831	-0.018	-0.018	0.000	0.000	0.000	0.000
389	A	389	PRO	0	-0.025	-0.028	27.001	0.003	0.003	0.000	0.000	0.000	0.000
390	A	390	ILE	0	-0.047	-0.011	21.475	0.015	0.015	0.000	0.000	0.000	0.000
391	A	391	VAL	0	-0.025	-0.004	25.231	-0.018	-0.018	0.000	0.000	0.000	0.000
392	A	392	GLU	-1	-0.789	-0.889	23.165	0.307	0.307	0.000	0.000	0.000	0.000
393	A	393	GLN	0	-0.074	-0.027	25.097	-0.035	-0.035	0.000	0.000	0.000	0.000
394	A	394	VAL	0	0.021	-0.003	24.810	0.033	0.033	0.000	0.000	0.000	0.000
395	A	395	SER	0	-0.038	-0.027	26.316	-0.034	-0.034	0.000	0.000	0.000	0.000
396	A	396	GLU	-1	-0.768	-0.901	26.127	0.252	0.252	0.000	0.000	0.000	0.000
397	A	397	ALA	0	-0.057	-0.013	28.184	-0.006	-0.006	0.000	0.000	0.000	0.000
398	A	398	HIS	0	0.028	0.012	26.426	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	399	LEU	0	0.006	0.027	21.638	0.033	0.033	0.000	0.000	0.000	0.000
400	A	400	PRO	0	0.016	0.027	19.616	-0.038	-0.038	0.000	0.000	0.000	0.000
401	A	401	LYS	1	0.796	0.875	22.534	-0.260	-0.260	0.000	0.000	0.000	0.000
402	A	402	VAL	0	0.025	0.018	20.570	0.012	0.012	0.000	0.000	0.000	0.000
403	A	403	ALA	0	-0.029	-0.008	23.948	-0.015	-0.015	0.000	0.000	0.000	0.000
404	A	404	PRO	0	-0.006	-0.005	25.762	-0.002	-0.002	0.000	0.000	0.000	0.000
405	A	405	ILE	0	-0.010	0.010	22.769	0.002	0.002	0.000	0.000	0.000	0.000
406	A	406	THR	0	-0.019	-0.003	27.045	-0.013	-0.013	0.000	0.000	0.000	0.000
407	A	407	LEU	0	-0.010	-0.010	25.161	0.002	0.002	0.000	0.000	0.000	0.000
408	A	408	ARG	1	0.813	0.872	28.916	0.019	0.019	0.000	0.000	0.000	0.000
409	A	409	ALA	0	0.049	0.016	30.740	-0.007	-0.007	0.000	0.000	0.000	0.000
410	A	410	GLU	-1	-0.871	-0.913	32.045	-0.068	-0.068	0.000	0.000	0.000	0.000
411	A	411	ARG	1	0.870	0.916	29.937	0.043	0.043	0.000	0.000	0.000	0.000
412	A	412	VAL	0	0.041	0.026	26.757	-0.004	-0.004	0.000	0.000	0.000	0.000
413	A	413	THR	0	-0.024	-0.027	28.916	-0.013	-0.013	0.000	0.000	0.000	0.000
414	A	414	GLN	0	-0.092	-0.047	31.744	0.005	0.005	0.000	0.000	0.000	0.000
415	A	415	MET	0	-0.040	-0.006	26.082	0.005	0.005	0.000	0.000	0.000	0.000
416	A	416	LEU	0	0.031	0.015	24.877	-0.007	-0.007	0.000	0.000	0.000	0.000
417	A	417	GLY	0	-0.064	-0.018	28.033	-0.011	-0.011	0.000	0.000	0.000	0.000
418	A	418	MET	0	-0.033	-0.022	29.216	-0.001	-0.001	0.000	0.000	0.000	0.000
419	A	419	PRO	0	-0.023	-0.002	30.607	-0.001	-0.001	0.000	0.000	0.000	0.000
420	A	420	LEU	0	0.025	0.009	25.633	-0.013	-0.013	0.000	0.000	0.000	0.000
421	A	421	ASP	-1	-0.892	-0.944	29.841	-0.155	-0.155	0.000	0.000	0.000	0.000
422	A	422	ALA	0	0.013	-0.005	29.314	-0.008	-0.008	0.000	0.000	0.000	0.000
423	A	423	ALA	0	-0.014	-0.009	29.043	-0.002	-0.002	0.000	0.000	0.000	0.000
424	A	424	GLU	-1	-0.814	-0.903	25.034	-0.304	-0.304	0.000	0.000	0.000	0.000
425	A	425	ILE	0	0.002	-0.005	24.814	-0.015	-0.015	0.000	0.000	0.000	0.000
426	A	426	VAL	0	0.010	-0.003	24.264	-0.004	-0.004	0.000	0.000	0.000	0.000
427	A	427	ARG	1	0.722	0.845	23.021	0.305	0.305	0.000	0.000	0.000	0.000
428	A	428	LEU	0	0.016	0.007	20.087	-0.015	-0.015	0.000	0.000	0.000	0.000
429	A	429	LEU	0	0.014	0.002	19.354	-0.017	-0.017	0.000	0.000	0.000	0.000
430	A	430	GLN	0	-0.030	-0.020	19.680	0.020	0.020	0.000	0.000	0.000	0.000
431	A	431	ALA	0	-0.030	-0.001	17.813	0.005	0.005	0.000	0.000	0.000	0.000
432	A	432	LEU	0	-0.011	0.005	14.142	-0.051	-0.051	0.000	0.000	0.000	0.000
433	A	433	GLU	-1	-0.839	-0.903	14.111	-0.118	-0.118	0.000	0.000	0.000	0.000
434	A	434	LEU	0	-0.026	0.005	17.937	0.055	0.055	0.000	0.000	0.000	0.000
435	A	435	THR	0	-0.037	-0.021	20.488	-0.012	-0.012	0.000	0.000	0.000	0.000
436	A	436	VAL	0	-0.012	-0.004	23.799	0.019	0.019	0.000	0.000	0.000	0.000
437	A	437	VAL	0	-0.013	-0.001	26.211	-0.004	-0.004	0.000	0.000	0.000	0.000
438	A	438	ALA	0	-0.014	-0.015	30.035	0.001	0.001	0.000	0.000	0.000	0.000
439	A	439	ASP	-1	-0.866	-0.910	32.795	-0.002	-0.002	0.000	0.000	0.000	0.000
440	A	440	GLY	0	0.005	0.009	34.724	0.004	0.004	0.000	0.000	0.000	0.000
441	A	441	GLU	-1	-0.918	-0.956	36.870	-0.078	-0.078	0.000	0.000	0.000	0.000
442	A	442	GLY	0	-0.024	-0.019	34.993	0.004	0.004	0.000	0.000	0.000	0.000
443	A	443	GLN	0	-0.087	-0.052	32.757	0.000	0.000	0.000	0.000	0.000	0.000
444	A	444	TRP	0	0.002	0.001	29.003	-0.006	-0.006	0.000	0.000	0.000	0.000
445	A	445	SER	0	0.019	-0.016	29.212	0.011	0.011	0.000	0.000	0.000	0.000
446	A	446	VAL	0	-0.033	-0.019	23.060	-0.012	-0.012	0.000	0.000	0.000	0.000
447	A	447	GLY	0	-0.006	0.009	24.195	0.020	0.020	0.000	0.000	0.000	0.000
448	A	448	VAL	0	0.021	0.001	18.446	-0.035	-0.035	0.000	0.000	0.000	0.000
449	A	449	PRO	0	0.014	0.024	16.182	0.033	0.033	0.000	0.000	0.000	0.000
450	A	450	SER	0	-0.016	-0.047	16.094	0.001	0.001	0.000	0.000	0.000	0.000
451	A	451	HIS	0	-0.031	-0.036	11.507	0.123	0.123	0.000	0.000	0.000	0.000
452	A	452	ARG	1	0.743	0.826	12.431	0.182	0.182	0.000	0.000	0.000	0.000
453	A	453	PHE	0	-0.031	-0.017	13.202	-0.011	-0.011	0.000	0.000	0.000	0.000
454	A	454	ASP	-1	-0.800	-0.864	13.637	0.112	0.112	0.000	0.000	0.000	0.000
455	A	455	ILE	0	-0.030	0.002	16.107	-0.069	-0.069	0.000	0.000	0.000	0.000
456	A	456	SER	0	-0.063	-0.047	18.776	0.031	0.031	0.000	0.000	0.000	0.000
457	A	457	LEU	0	-0.044	-0.032	22.342	-0.008	-0.008	0.000	0.000	0.000	0.000
458	A	458	GLU	-1	-0.709	-0.843	23.658	-0.049	-0.049	0.000	0.000	0.000	0.000
459	A	459	VAL	0	-0.023	-0.022	23.414	-0.021	-0.021	0.000	0.000	0.000	0.000
460	A	460	ASP	-1	-0.673	-0.835	19.497	0.035	0.035	0.000	0.000	0.000	0.000
461	A	461	LEU	0	0.015	0.009	19.737	-0.036	-0.036	0.000	0.000	0.000	0.000
462	A	462	ILE	0	-0.064	-0.035	21.795	-0.032	-0.032	0.000	0.000	0.000	0.000
463	A	463	GLU	-1	-0.845	-0.897	16.941	-0.325	-0.325	0.000	0.000	0.000	0.000
464	A	464	GLU	-1	-0.694	-0.838	14.407	-0.395	-0.395	0.000	0.000	0.000	0.000
465	A	465	LEU	0	-0.028	0.003	18.228	-0.051	-0.051	0.000	0.000	0.000	0.000
466	A	466	ALA	0	-0.020	-0.017	21.221	-0.032	-0.032	0.000	0.000	0.000	0.000
467	A	467	ARG	1	0.758	0.864	11.619	0.689	0.689	0.000	0.000	0.000	0.000
468	A	468	LEU	0	0.022	0.015	15.132	-0.065	-0.065	0.000	0.000	0.000	0.000
469	A	469	TYR	0	-0.010	-0.004	18.023	-0.031	-0.031	0.000	0.000	0.000	0.000
470	A	470	GLY	0	0.057	0.033	19.229	-0.016	-0.016	0.000	0.000	0.000	0.000
471	A	471	TYR	0	-0.030	-0.052	18.038	0.033	0.033	0.000	0.000	0.000	0.000
472	A	472	ASN	0	-0.043	-0.030	20.526	0.064	0.064	0.000	0.000	0.000	0.000
473	A	473	ARG	1	0.825	0.920	23.269	0.362	0.362	0.000	0.000	0.000	0.000
474	A	474	LEU	0	-0.009	0.010	23.675	0.024	0.024	0.000	0.000	0.000	0.000
475	A	475	PRO	0	-0.039	-0.021	26.993	0.000	0.000	0.000	0.000	0.000	0.000
476	A	476	VAL	0	0.027	0.024	29.083	0.001	0.001	0.000	0.000	0.000	0.000
477	A	477	ARG	1	0.930	0.957	31.395	0.115	0.115	0.000	0.000	0.000	0.000
478	A	478	TYR	0	0.021	0.014	33.379	0.001	0.001	0.000	0.000	0.000	0.000
479	A	479	PRO	0	-0.004	0.002	34.616	0.004	0.004	0.000	0.000	0.000	0.000
480	A	480	GLN	0	0.006	0.004	36.977	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	481	ALA	0	0.042	0.007	40.417	0.004	0.004	0.000	0.000	0.000	0.000
482	A	482	ARG	1	0.907	0.954	42.495	0.043	0.043	0.000	0.000	0.000	0.000
483	A	483	LEU	0	0.030	0.019	42.432	0.004	0.004	0.000	0.000	0.000	0.000
484	A	484	ALA	0	0.031	0.013	46.436	0.000	0.000	0.000	0.000	0.000	0.000
485	A	485	PRO	0	-0.005	-0.006	49.114	0.000	0.000	0.000	0.000	0.000	0.000
486	A	486	ASN	0	-0.050	-0.021	46.865	0.004	0.004	0.000	0.000	0.000	0.000
487	A	487	ASN	0	0.034	0.014	49.808	-0.003	-0.003	0.000	0.000	0.000	0.000
488	A	488	LYS	1	0.962	0.985	44.637	0.021	0.021	0.000	0.000	0.000	0.000
489	A	489	PRO	0	0.007	-0.010	50.962	-0.002	-0.002	0.000	0.000	0.000	0.000
490	A	490	GLU	-1	-0.898	-0.956	53.812	-0.012	-0.012	0.000	0.000	0.000	0.000
491	A	491	ALA	0	-0.009	0.012	55.591	0.000	0.000	0.000	0.000	0.000	0.000
492	A	492	ARG	1	0.765	0.839	50.303	0.000	0.000	0.000	0.000	0.000	0.000
493	A	493	ALA	0	0.050	0.042	52.557	-0.003	-0.003	0.000	0.000	0.000	0.000
494	A	494	ALA	0	-0.011	-0.009	47.281	0.002	0.002	0.000	0.000	0.000	0.000
495	A	495	LEU	0	0.090	0.037	42.765	-0.003	-0.003	0.000	0.000	0.000	0.000
496	A	496	PRO	0	-0.024	-0.028	43.183	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	497	LEU	0	-0.029	0.006	45.389	-0.004	-0.004	0.000	0.000	0.000	0.000
498	A	498	LEU	0	0.041	0.022	48.559	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	499	ARG	1	0.869	0.923	39.779	0.013	0.013	0.000	0.000	0.000	0.000
500	A	500	ARG	1	0.914	0.947	45.384	0.027	0.027	0.000	0.000	0.000	0.000
501	A	501	LEU	0	-0.001	0.014	48.203	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	502	LEU	0	0.024	0.009	48.536	0.000	0.000	0.000	0.000	0.000	0.000
503	A	503	VAL	0	0.006	0.003	45.652	0.000	0.000	0.000	0.000	0.000	0.000
504	A	504	ALA	0	-0.033	-0.013	48.936	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	505	ARG	1	0.825	0.909	52.275	0.004	0.004	0.000	0.000	0.000	0.000
506	A	506	GLY	0	0.000	0.012	51.624	0.002	0.002	0.000	0.000	0.000	0.000
507	A	507	TYR	0	-0.089	-0.069	48.137	0.003	0.003	0.000	0.000	0.000	0.000
508	A	508	GLN	0	-0.023	-0.014	43.028	-0.005	-0.005	0.000	0.000	0.000	0.000
509	A	509	GLU	-1	-0.817	-0.893	40.646	-0.008	-0.008	0.000	0.000	0.000	0.000
510	A	510	ALA	0	-0.030	-0.019	40.070	-0.002	-0.002	0.000	0.000	0.000	0.000
511	A	511	ILE	0	0.004	-0.007	35.057	0.001	0.001	0.000	0.000	0.000	0.000
512	A	512	THR	0	-0.066	-0.051	36.778	0.002	0.002	0.000	0.000	0.000	0.000
513	A	513	PHE	0	0.029	0.012	30.301	0.000	0.000	0.000	0.000	0.000	0.000
514	A	514	SER	0	-0.012	-0.015	34.734	-0.002	-0.002	0.000	0.000	0.000	0.000
515	A	515	PHE	0	0.012	0.008	30.330	0.001	0.001	0.000	0.000	0.000	0.000
516	A	516	ILE	0	-0.043	-0.020	36.133	-0.005	-0.005	0.000	0.000	0.000	0.000
517	A	517	ASP	-1	-0.746	-0.875	38.141	0.089	0.089	0.000	0.000	0.000	0.000
518	A	518	PRO	0	0.008	0.011	38.900	-0.006	-0.006	0.000	0.000	0.000	0.000
519	A	519	ALA	0	0.038	0.030	42.082	-0.005	-0.005	0.000	0.000	0.000	0.000
520	A	520	LEU	0	-0.044	-0.033	41.720	-0.006	-0.006	0.000	0.000	0.000	0.000
521	A	521	PHE	0	-0.017	-0.019	42.651	-0.005	-0.005	0.000	0.000	0.000	0.000
522	A	522	GLU	-1	-0.947	-0.977	44.822	0.077	0.077	0.000	0.000	0.000	0.000
523	A	523	LEU	0	-0.051	-0.028	47.150	-0.004	-0.004	0.000	0.000	0.000	0.000
524	A	524	PHE	0	-0.038	-0.036	47.501	-0.005	-0.005	0.000	0.000	0.000	0.000
525	A	525	ASP	-1	-0.828	-0.868	47.983	0.054	0.054	0.000	0.000	0.000	0.000
526	A	526	PRO	0	0.031	0.017	49.569	0.004	0.004	0.000	0.000	0.000	0.000
527	A	527	GLY	0	-0.038	-0.017	50.858	-0.002	-0.002	0.000	0.000	0.000	0.000
528	A	528	THR	0	-0.076	-0.050	47.416	0.002	0.002	0.000	0.000	0.000	0.000
529	A	529	GLN	0	0.001	0.000	44.625	0.005	0.005	0.000	0.000	0.000	0.000
530	A	530	PRO	0	0.069	0.040	41.835	0.000	0.000	0.000	0.000	0.000	0.000
531	A	531	LEU	0	0.001	0.014	38.314	0.006	0.006	0.000	0.000	0.000	0.000
532	A	532	THR	0	-0.032	-0.021	37.476	-0.003	-0.003	0.000	0.000	0.000	0.000
533	A	533	LEU	0	-0.044	-0.023	31.818	0.006	0.006	0.000	0.000	0.000	0.000
534	A	534	ALA	0	0.025	0.006	32.446	0.000	0.000	0.000	0.000	0.000	0.000
535	A	535	ASN	0	-0.043	-0.020	27.234	0.003	0.003	0.000	0.000	0.000	0.000
536	A	536	PRO	0	-0.022	0.005	28.794	0.006	0.006	0.000	0.000	0.000	0.000
537	A	537	ILE	0	0.006	0.000	25.271	0.012	0.012	0.000	0.000	0.000	0.000
538	A	538	SER	0	-0.011	-0.032	28.540	0.006	0.006	0.000	0.000	0.000	0.000
539	A	539	ALA	0	0.020	0.002	31.650	-0.003	-0.003	0.000	0.000	0.000	0.000
540	A	540	ASP	-1	-0.879	-0.930	34.417	0.099	0.099	0.000	0.000	0.000	0.000
541	A	541	MET	0	-0.063	-0.031	31.560	-0.009	-0.009	0.000	0.000	0.000	0.000
542	A	542	ALA	0	0.046	0.018	33.483	0.009	0.009	0.000	0.000	0.000	0.000
543	A	543	ALA	0	0.009	0.018	35.738	0.004	0.004	0.000	0.000	0.000	0.000
544	A	544	MET	0	-0.027	-0.016	35.250	-0.004	-0.004	0.000	0.000	0.000	0.000
545	A	545	ARG	1	0.783	0.902	38.752	-0.047	-0.047	0.000	0.000	0.000	0.000
546	A	546	SER	0	0.005	-0.029	41.508	-0.002	-0.002	0.000	0.000	0.000	0.000
547	A	547	SER	0	-0.054	-0.062	44.596	-0.004	-0.004	0.000	0.000	0.000	0.000
548	A	548	LEU	0	-0.017	-0.020	41.936	0.003	0.003	0.000	0.000	0.000	0.000
549	A	549	TRP	0	-0.044	-0.040	44.294	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	550	PRO	0	0.027	0.024	43.219	-0.002	-0.002	0.000	0.000	0.000	0.000
551	A	551	GLY	0	0.060	0.037	41.388	0.000	0.000	0.000	0.000	0.000	0.000
552	A	552	LEU	0	-0.010	-0.015	42.017	-0.004	-0.004	0.000	0.000	0.000	0.000
553	A	553	VAL	0	0.024	0.008	44.514	-0.004	-0.004	0.000	0.000	0.000	0.000
554	A	554	LYS	1	0.907	0.961	41.401	-0.047	-0.047	0.000	0.000	0.000	0.000
555	A	555	ALA	0	0.024	0.009	41.169	-0.002	-0.002	0.000	0.000	0.000	0.000
556	A	556	LEU	0	0.002	0.001	42.439	-0.005	-0.005	0.000	0.000	0.000	0.000
557	A	557	GLN	0	0.047	0.015	44.888	0.000	0.000	0.000	0.000	0.000	0.000
558	A	558	HIS	0	-0.005	0.012	37.675	0.003	0.003	0.000	0.000	0.000	0.000
559	A	559	ASN	0	-0.039	-0.029	42.569	-0.007	-0.007	0.000	0.000	0.000	0.000
560	A	560	LEU	0	0.030	0.016	44.855	-0.002	-0.002	0.000	0.000	0.000	0.000
561	A	561	ASN	0	-0.039	-0.024	44.812	0.000	0.000	0.000	0.000	0.000	0.000
562	A	562	ARG	1	0.868	0.927	38.697	-0.015	-0.015	0.000	0.000	0.000	0.000
563	A	563	GLN	0	-0.014	-0.004	45.191	-0.005	-0.005	0.000	0.000	0.000	0.000
564	A	564	GLN	0	-0.035	0.001	45.926	-0.004	-0.004	0.000	0.000	0.000	0.000
565	A	565	SER	0	0.012	-0.003	48.962	0.002	0.002	0.000	0.000	0.000	0.000
566	A	566	ARG	1	0.836	0.907	51.695	0.009	0.009	0.000	0.000	0.000	0.000
567	A	567	VAL	0	0.008	0.016	47.270	-0.002	-0.002	0.000	0.000	0.000	0.000
568	A	568	ARG	1	0.805	0.885	49.097	0.005	0.005	0.000	0.000	0.000	0.000
569	A	569	LEU	0	0.005	0.013	43.813	-0.003	-0.003	0.000	0.000	0.000	0.000
570	A	570	PHE	0	0.006	-0.009	43.884	0.002	0.002	0.000	0.000	0.000	0.000
571	A	571	GLU	-1	-0.736	-0.824	39.437	0.028	0.028	0.000	0.000	0.000	0.000
572	A	572	SER	0	-0.029	-0.032	41.494	-0.001	-0.001	0.000	0.000	0.000	0.000
573	A	573	GLY	0	0.024	0.011	39.904	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	574	LEU	0	-0.007	-0.003	37.741	-0.002	-0.002	0.000	0.000	0.000	0.000
575	A	575	ARG	1	0.844	0.932	40.734	-0.040	-0.040	0.000	0.000	0.000	0.000
576	A	576	PHE	0	0.002	-0.024	36.955	0.000	0.000	0.000	0.000	0.000	0.000
577	A	577	VAL	0	0.013	0.001	42.226	0.001	0.001	0.000	0.000	0.000	0.000
578	A	578	GLY	0	0.032	0.013	45.231	-0.002	-0.002	0.000	0.000	0.000	0.000
579	A	579	GLN	0	-0.014	-0.020	42.409	0.009	0.009	0.000	0.000	0.000	0.000
580	A	580	LEU	0	0.009	-0.009	37.762	-0.004	-0.004	0.000	0.000	0.000	0.000
581	A	581	GLU	-1	-0.915	-0.946	41.742	0.092	0.092	0.000	0.000	0.000	0.000
582	A	582	GLY	0	-0.005	-0.010	44.832	-0.004	-0.004	0.000	0.000	0.000	0.000
583	A	583	LEU	0	-0.106	-0.032	39.554	-0.005	-0.005	0.000	0.000	0.000	0.000
584	A	584	LYS	1	0.864	0.930	43.563	-0.051	-0.051	0.000	0.000	0.000	0.000
585	A	585	GLN	0	0.021	0.007	38.357	0.003	0.003	0.000	0.000	0.000	0.000
586	A	586	GLU	-1	-0.788	-0.867	42.655	0.041	0.041	0.000	0.000	0.000	0.000
587	A	587	ALA	0	0.008	0.007	43.115	0.000	0.000	0.000	0.000	0.000	0.000
588	A	588	MET	0	-0.003	0.019	43.954	-0.002	-0.002	0.000	0.000	0.000	0.000
589	A	589	LEU	0	-0.021	-0.028	44.751	-0.003	-0.003	0.000	0.000	0.000	0.000
590	A	590	ALA	0	0.010	0.011	46.498	0.001	0.001	0.000	0.000	0.000	0.000
591	A	591	GLY	0	0.020	-0.001	47.099	-0.003	-0.003	0.000	0.000	0.000	0.000
592	A	592	ALA	0	-0.004	0.004	48.201	0.003	0.003	0.000	0.000	0.000	0.000
593	A	593	ILE	0	-0.042	-0.011	49.891	-0.003	-0.003	0.000	0.000	0.000	0.000
594	A	594	CYS	0	0.065	0.028	52.054	0.002	0.002	0.000	0.000	0.000	0.000
595	A	595	GLY	0	0.076	0.049	53.829	-0.002	-0.002	0.000	0.000	0.000	0.000
596	A	596	LYS	1	0.846	0.915	55.821	0.002	0.002	0.000	0.000	0.000	0.000
597	A	597	ARG	1	0.802	0.888	57.332	-0.002	-0.002	0.000	0.000	0.000	0.000
598	A	598	LEU	0	-0.026	-0.003	58.324	-0.001	-0.001	0.000	0.000	0.000	0.000
599	A	599	PRO	0	0.002	-0.014	54.998	0.001	0.001	0.000	0.000	0.000	0.000
600	A	600	GLU	-1	-0.792	-0.864	56.550	-0.010	-0.010	0.000	0.000	0.000	0.000
601	A	601	GLY	0	0.012	-0.010	58.218	-0.002	-0.002	0.000	0.000	0.000	0.000
602	A	602	TRP	0	-0.036	-0.023	60.932	0.002	0.002	0.000	0.000	0.000	0.000
603	A	603	ALA	0	0.002	0.008	63.974	0.001	0.001	0.000	0.000	0.000	0.000
604	A	604	ASN	0	-0.048	-0.022	59.797	0.000	0.000	0.000	0.000	0.000	0.000
605	A	605	GLY	0	0.039	0.024	63.774	0.000	0.000	0.000	0.000	0.000	0.000
606	A	606	ARG	1	0.856	0.900	62.451	0.009	0.009	0.000	0.000	0.000	0.000
607	A	607	ASP	-1	-0.835	-0.897	63.100	-0.001	-0.001	0.000	0.000	0.000	0.000
608	A	608	GLY	0	-0.010	-0.010	60.618	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	609	VAL	0	-0.006	0.003	56.103	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	610	ASP	-1	-0.821	-0.914	59.553	0.007	0.007	0.000	0.000	0.000	0.000
611	A	611	PHE	0	0.029	0.005	59.933	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	612	PHE	0	-0.009	-0.015	60.692	0.000	0.000	0.000	0.000	0.000	0.000
613	A	613	ASP	-1	-0.797	-0.873	58.765	0.000	0.000	0.000	0.000	0.000	0.000
614	A	614	ALA	0	0.026	0.011	56.381	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	615	LYS	1	0.791	0.883	57.333	-0.006	-0.006	0.000	0.000	0.000	0.000
616	A	616	ALA	0	0.041	0.017	59.654	0.000	0.000	0.000	0.000	0.000	0.000
617	A	617	ASP	-1	-0.792	-0.854	54.591	-0.003	-0.003	0.000	0.000	0.000	0.000
618	A	618	VAL	0	0.015	0.012	54.705	-0.001	-0.001	0.000	0.000	0.000	0.000
619	A	619	GLU	-1	-0.799	-0.891	56.459	0.005	0.005	0.000	0.000	0.000	0.000
620	A	620	ALA	0	-0.014	0.000	56.660	-0.001	-0.001	0.000	0.000	0.000	0.000
621	A	621	VAL	0	-0.013	-0.005	52.475	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	622	LEU	0	0.023	0.008	54.980	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	623	ALA	0	-0.046	-0.018	57.525	0.000	0.000	0.000	0.000	0.000	0.000
624	A	624	SER	0	-0.050	-0.033	54.464	-0.002	-0.002	0.000	0.000	0.000	0.000
625	A	625	ALA	0	-0.012	0.007	55.658	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	626	GLY	0	0.017	0.008	57.416	0.000	0.000	0.000	0.000	0.000	0.000
627	A	627	ALA	0	-0.038	-0.029	59.404	0.000	0.000	0.000	0.000	0.000	0.000
628	A	628	LEU	0	0.046	0.026	61.047	0.001	0.001	0.000	0.000	0.000	0.000
629	A	629	GLY	0	-0.008	-0.008	62.252	0.001	0.001	0.000	0.000	0.000	0.000
630	A	630	ASP	-1	-0.796	-0.865	61.644	0.008	0.008	0.000	0.000	0.000	0.000
631	A	631	PHE	0	-0.053	-0.028	56.922	0.002	0.002	0.000	0.000	0.000	0.000
632	A	632	SER	0	-0.045	-0.013	62.274	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	633	PHE	0	0.009	-0.007	59.268	0.001	0.001	0.000	0.000	0.000	0.000
634	A	634	VAL	0	0.016	0.005	63.315	-0.001	-0.001	0.000	0.000	0.000	0.000
635	A	635	PRO	0	0.016	-0.002	63.807	0.001	0.001	0.000	0.000	0.000	0.000
636	A	636	GLY	0	-0.001	0.004	62.925	0.001	0.001	0.000	0.000	0.000	0.000
637	A	637	GLU	-1	-0.905	-0.953	61.120	0.029	0.029	0.000	0.000	0.000	0.000
638	A	638	HIS	0	0.039	0.015	52.151	0.000	0.000	0.000	0.000	0.000	0.000
639	A	639	PRO	0	0.007	0.015	53.734	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	640	ALA	0	0.038	0.019	51.947	0.000	0.000	0.000	0.000	0.000	0.000
641	A	641	LEU	0	-0.041	-0.018	53.824	-0.002	-0.002	0.000	0.000	0.000	0.000
642	A	642	HIS	0	0.040	0.010	56.828	0.002	0.002	0.000	0.000	0.000	0.000
643	A	643	PRO	0	0.014	0.037	60.264	-0.002	-0.002	0.000	0.000	0.000	0.000
644	A	644	GLY	0	-0.007	0.002	62.898	-0.001	-0.001	0.000	0.000	0.000	0.000
645	A	645	GLN	0	-0.099	-0.062	62.040	-0.002	-0.002	0.000	0.000	0.000	0.000
646	A	646	THR	0	0.020	-0.011	59.012	0.000	0.000	0.000	0.000	0.000	0.000
647	A	647	ALA	0	-0.027	-0.015	60.249	-0.001	-0.001	0.000	0.000	0.000	0.000
648	A	648	ARG	1	0.863	0.925	59.133	-0.028	-0.028	0.000	0.000	0.000	0.000
649	A	649	ILE	0	-0.026	-0.015	56.201	-0.002	-0.002	0.000	0.000	0.000	0.000
650	A	650	GLU	-1	-0.793	-0.890	58.398	0.026	0.026	0.000	0.000	0.000	0.000
651	A	651	ARG	1	0.795	0.866	56.965	-0.013	-0.013	0.000	0.000	0.000	0.000
652	A	652	GLU	-1	-0.886	-0.941	60.969	0.016	0.016	0.000	0.000	0.000	0.000
653	A	653	GLY	0	0.006	0.016	63.187	0.001	0.001	0.000	0.000	0.000	0.000
654	A	654	ARG	1	0.773	0.875	57.644	-0.018	-0.018	0.000	0.000	0.000	0.000
655	A	655	LEU	0	-0.019	-0.012	55.451	-0.001	-0.001	0.000	0.000	0.000	0.000
656	A	656	VAL	0	-0.010	0.003	54.573	0.001	0.001	0.000	0.000	0.000	0.000
657	A	657	GLY	0	-0.001	-0.017	53.393	0.001	0.001	0.000	0.000	0.000	0.000
658	A	658	TYR	0	-0.036	-0.026	54.344	0.001	0.001	0.000	0.000	0.000	0.000
659	A	659	LEU	0	-0.002	0.004	54.864	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	660	GLY	0	0.057	0.021	56.482	0.000	0.000	0.000	0.000	0.000	0.000
661	A	661	ALA	0	-0.017	0.008	56.419	0.000	0.000	0.000	0.000	0.000	0.000
662	A	662	LEU	0	0.020	0.012	51.536	0.002	0.002	0.000	0.000	0.000	0.000
663	A	663	HIS	0	0.028	0.021	55.220	-0.002	-0.002	0.000	0.000	0.000	0.000
664	A	664	PRO	0	0.027	0.001	55.950	0.001	0.001	0.000	0.000	0.000	0.000
665	A	665	GLU	-1	-0.799	-0.899	56.894	0.037	0.037	0.000	0.000	0.000	0.000
666	A	666	LEU	0	-0.005	0.007	50.882	0.002	0.002	0.000	0.000	0.000	0.000
667	A	667	ALA	0	0.004	0.001	52.115	0.001	0.001	0.000	0.000	0.000	0.000
668	A	668	LYS	1	0.835	0.912	52.751	-0.035	-0.035	0.000	0.000	0.000	0.000
669	A	669	LYS	1	0.829	0.909	51.124	-0.042	-0.042	0.000	0.000	0.000	0.000
670	A	670	LEU	0	-0.038	-0.010	46.776	0.003	0.003	0.000	0.000	0.000	0.000
671	A	671	ASP	-1	-0.943	-0.947	48.331	0.031	0.031	0.000	0.000	0.000	0.000
672	A	672	LEU	0	-0.041	-0.022	48.534	-0.002	-0.002	0.000	0.000	0.000	0.000
673	A	673	GLU	-1	-0.896	-0.953	52.172	0.019	0.019	0.000	0.000	0.000	0.000
674	A	674	GLN	0	-0.093	-0.053	53.174	-0.002	-0.002	0.000	0.000	0.000	0.000
675	A	675	PRO	0	-0.008	-0.006	55.274	0.002	0.002	0.000	0.000	0.000	0.000
676	A	676	VAL	0	0.009	0.003	51.222	-0.002	-0.002	0.000	0.000	0.000	0.000
677	A	677	PHE	0	-0.036	-0.006	54.549	0.002	0.002	0.000	0.000	0.000	0.000
678	A	678	LEU	0	0.006	0.010	50.220	-0.001	-0.001	0.000	0.000	0.000	0.000
679	A	679	PHE	0	0.039	0.009	50.562	0.000	0.000	0.000	0.000	0.000	0.000
680	A	680	GLU	-1	-0.815	-0.871	47.150	0.036	0.036	0.000	0.000	0.000	0.000
681	A	681	LEU	0	-0.009	0.000	49.975	0.000	0.000	0.000	0.000	0.000	0.000
682	A	682	LEU	0	0.051	0.011	48.595	0.000	0.000	0.000	0.000	0.000	0.000
683	A	683	LEU	0	-0.004	-0.013	45.399	-0.003	-0.003	0.000	0.000	0.000	0.000
684	A	684	ALA	0	-0.023	-0.012	49.141	-0.003	-0.003	0.000	0.000	0.000	0.000
685	A	685	GLU	-1	-0.785	-0.882	50.542	0.019	0.019	0.000	0.000	0.000	0.000
686	A	686	VAL	0	-0.046	-0.014	51.808	-0.002	-0.002	0.000	0.000	0.000	0.000
687	A	687	VAL	0	-0.070	-0.021	48.962	-0.003	-0.003	0.000	0.000	0.000	0.000
688	A	688	ASP	-1	-0.746	-0.840	52.330	0.005	0.005	0.000	0.000	0.000	0.000
689	A	689	GLY	0	0.057	0.024	55.351	0.001	0.001	0.000	0.000	0.000	0.000
690	A	690	HIS	1	0.765	0.871	58.640	-0.003	-0.003	0.000	0.000	0.000	0.000
691	A	691	LEU	0	0.002	0.017	60.446	-0.001	-0.001	0.000	0.000	0.000	0.000
692	A	692	PRO	0	0.013	0.002	61.944	0.001	0.001	0.000	0.000	0.000	0.000
693	A	693	LYS	1	0.943	0.967	65.154	0.001	0.001	0.000	0.000	0.000	0.000
694	A	694	PHE	0	-0.001	0.012	68.705	0.000	0.000	0.000	0.000	0.000	0.000
695	A	695	ARG	1	0.955	0.972	71.655	0.002	0.002	0.000	0.000	0.000	0.000
696	A	696	GLU	-1	-0.881	-0.952	74.929	-0.008	-0.008	0.000	0.000	0.000	0.000
697	A	697	LEU	0	-0.026	0.002	75.345	0.001	0.001	0.000	0.000	0.000	0.000
698	A	698	SER	0	-0.017	-0.023	79.260	0.000	0.000	0.000	0.000	0.000	0.000
699	A	699	ARG	1	0.910	0.955	82.458	0.007	0.007	0.000	0.000	0.000	0.000
700	A	700	PHE	0	-0.001	0.011	85.128	0.000	0.000	0.000	0.000	0.000	0.000
701	A	701	PRO	0	0.001	-0.006	84.847	0.000	0.000	0.000	0.000	0.000	0.000
702	A	702	GLU	-1	-0.883	-0.923	79.944	-0.004	-0.004	0.000	0.000	0.000	0.000
703	A	703	VAL	0	-0.039	-0.025	84.199	0.000	0.000	0.000	0.000	0.000	0.000
704	A	704	ARG	1	0.836	0.884	78.373	0.002	0.002	0.000	0.000	0.000	0.000
705	A	705	ARG	1	0.754	0.850	84.303	0.000	0.000	0.000	0.000	0.000	0.000
706	A	706	ASP	-1	-0.758	-0.850	82.487	-0.001	-0.001	0.000	0.000	0.000	0.000
707	A	707	LEU	0	-0.004	0.000	83.373	0.000	0.000	0.000	0.000	0.000	0.000
708	A	708	ALA	0	0.004	0.004	82.880	0.000	0.000	0.000	0.000	0.000	0.000
709	A	709	LEU	0	0.026	0.011	81.215	0.000	0.000	0.000	0.000	0.000	0.000
710	A	710	LEU	0	-0.034	-0.020	82.258	0.000	0.000	0.000	0.000	0.000	0.000
711	A	711	VAL	0	-0.007	-0.009	79.351	0.000	0.000	0.000	0.000	0.000	0.000
712	A	712	ASP	-1	-0.781	-0.905	78.850	0.013	0.013	0.000	0.000	0.000	0.000
713	A	713	GLN	0	0.016	-0.007	74.544	-0.001	-0.001	0.000	0.000	0.000	0.000
714	A	714	ASP	-1	-0.826	-0.877	74.720	0.016	0.016	0.000	0.000	0.000	0.000
715	A	715	VAL	0	-0.081	-0.028	74.129	0.000	0.000	0.000	0.000	0.000	0.000
716	A	716	PRO	0	0.033	0.021	71.231	-0.001	-0.001	0.000	0.000	0.000	0.000
717	A	717	ALA	0	0.023	0.001	72.719	-0.001	-0.001	0.000	0.000	0.000	0.000
718	A	718	GLN	0	0.017	0.002	68.510	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	719	ASP	-1	-0.824	-0.898	72.492	0.013	0.013	0.000	0.000	0.000	0.000
720	A	720	ILE	0	0.013	0.008	74.948	0.000	0.000	0.000	0.000	0.000	0.000
721	A	721	LEU	0	-0.027	-0.017	72.953	-0.001	-0.001	0.000	0.000	0.000	0.000
722	A	722	THR	0	-0.036	-0.031	73.516	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	723	GLN	0	0.005	0.004	75.737	0.000	0.000	0.000	0.000	0.000	0.000
724	A	724	ILE	0	0.027	0.015	79.022	0.000	0.000	0.000	0.000	0.000	0.000
725	A	725	ARG	1	0.902	0.950	73.623	-0.004	-0.004	0.000	0.000	0.000	0.000
726	A	726	ALA	0	-0.064	-0.019	78.716	0.000	0.000	0.000	0.000	0.000	0.000
727	A	727	ALA	0	-0.001	0.003	80.330	0.000	0.000	0.000	0.000	0.000	0.000
728	A	728	ALA	0	-0.026	-0.015	81.640	0.000	0.000	0.000	0.000	0.000	0.000
729	A	729	GLY	0	0.050	0.031	83.684	-0.001	-0.001	0.000	0.000	0.000	0.000
730	A	730	GLU	-1	-0.912	-0.972	81.744	0.002	0.002	0.000	0.000	0.000	0.000
731	A	731	TRP	0	-0.029	-0.025	81.509	-0.001	-0.001	0.000	0.000	0.000	0.000
732	A	732	LEU	0	-0.031	0.003	78.168	-0.001	-0.001	0.000	0.000	0.000	0.000
733	A	733	THR	0	-0.036	-0.033	77.833	0.000	0.000	0.000	0.000	0.000	0.000
734	A	734	ASP	-1	-0.836	-0.898	74.804	-0.002	-0.002	0.000	0.000	0.000	0.000
735	A	735	LEU	0	-0.027	-0.010	75.625	0.000	0.000	0.000	0.000	0.000	0.000
736	A	736	ARG	1	0.819	0.882	71.662	0.003	0.003	0.000	0.000	0.000	0.000
737	A	737	LEU	0	0.020	0.014	72.664	0.000	0.000	0.000	0.000	0.000	0.000
738	A	738	PHE	0	-0.070	-0.044	73.911	-0.001	-0.001	0.000	0.000	0.000	0.000
739	A	739	ASP	-1	-0.850	-0.931	75.700	0.002	0.002	0.000	0.000	0.000	0.000
740	A	740	VAL	0	-0.019	-0.013	73.022	0.001	0.001	0.000	0.000	0.000	0.000
741	A	741	TYR	0	-0.007	0.020	76.463	0.001	0.001	0.000	0.000	0.000	0.000
742	A	742	HIS	0	0.035	-0.001	76.331	0.000	0.000	0.000	0.000	0.000	0.000
743	A	743	GLY	0	0.050	0.028	78.585	0.000	0.000	0.000	0.000	0.000	0.000
744	A	744	LYS	1	0.930	0.954	81.068	-0.006	-0.006	0.000	0.000	0.000	0.000
745	A	745	GLY	0	-0.024	-0.014	84.307	0.000	0.000	0.000	0.000	0.000	0.000
746	A	746	ILE	0	-0.037	-0.010	81.538	-0.001	-0.001	0.000	0.000	0.000	0.000
747	A	747	ASP	-1	-0.823	-0.921	85.343	0.010	0.010	0.000	0.000	0.000	0.000
748	A	748	PRO	0	-0.035	-0.028	82.212	0.000	0.000	0.000	0.000	0.000	0.000
749	A	749	HIS	0	0.015	0.025	80.879	0.001	0.001	0.000	0.000	0.000	0.000
750	A	750	ARG	1	0.790	0.894	81.699	-0.009	-0.009	0.000	0.000	0.000	0.000
751	A	751	LYS	1	0.794	0.877	74.532	-0.012	-0.012	0.000	0.000	0.000	0.000
752	A	752	SER	0	-0.043	-0.031	80.088	0.000	0.000	0.000	0.000	0.000	0.000
753	A	753	LEU	0	0.000	0.008	76.070	-0.001	-0.001	0.000	0.000	0.000	0.000
754	A	754	ALA	0	-0.009	0.007	78.967	0.000	0.000	0.000	0.000	0.000	0.000
755	A	755	VAL	0	0.031	0.003	77.496	0.000	0.000	0.000	0.000	0.000	0.000
756	A	756	GLY	0	0.007	0.007	78.730	0.000	0.000	0.000	0.000	0.000	0.000
757	A	757	LEU	0	-0.015	-0.015	79.037	0.000	0.000	0.000	0.000	0.000	0.000
758	A	758	THR	0	0.000	-0.005	79.460	0.000	0.000	0.000	0.000	0.000	0.000
759	A	759	TRP	0	-0.005	-0.001	80.955	0.000	0.000	0.000	0.000	0.000	0.000
760	A	760	GLN	0	-0.001	-0.021	80.946	0.000	0.000	0.000	0.000	0.000	0.000
761	A	761	HIS	0	0.049	0.049	83.414	0.000	0.000	0.000	0.000	0.000	0.000
762	A	762	PRO	0	-0.002	0.005	82.823	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	763	SER	0	-0.049	-0.035	84.617	0.000	0.000	0.000	0.000	0.000	0.000
764	A	764	ARG	1	0.755	0.840	88.228	0.001	0.001	0.000	0.000	0.000	0.000
765	A	765	THR	0	0.029	0.011	88.757	0.000	0.000	0.000	0.000	0.000	0.000
766	A	766	LEU	0	-0.011	0.013	86.263	0.000	0.000	0.000	0.000	0.000	0.000
767	A	767	ASN	0	-0.029	-0.014	90.605	0.000	0.000	0.000	0.000	0.000	0.000
768	A	768	ASP	-1	-0.742	-0.861	92.559	-0.001	-0.001	0.000	0.000	0.000	0.000
769	A	769	ASP	-1	-0.900	-0.944	93.674	0.000	0.000	0.000	0.000	0.000	0.000
770	A	770	GLU	-1	-0.715	-0.825	90.993	0.000	0.000	0.000	0.000	0.000	0.000
771	A	771	VAL	0	0.020	0.035	88.332	0.000	0.000	0.000	0.000	0.000	0.000
772	A	772	ASN	0	0.003	0.015	90.018	0.001	0.001	0.000	0.000	0.000	0.000
773	A	773	SER	0	-0.033	-0.011	92.246	0.001	0.001	0.000	0.000	0.000	0.000
774	A	774	THR	0	-0.006	-0.018	86.617	0.001	0.001	0.000	0.000	0.000	0.000
775	A	775	THR	0	-0.029	-0.032	87.658	0.000	0.000	0.000	0.000	0.000	0.000
776	A	776	GLN	0	0.019	0.006	88.588	0.000	0.000	0.000	0.000	0.000	0.000
777	A	777	ASN	0	-0.047	-0.002	87.892	0.001	0.001	0.000	0.000	0.000	0.000
778	A	778	ILE	0	0.032	0.021	83.647	0.001	0.001	0.000	0.000	0.000	0.000
779	A	779	VAL	0	-0.030	-0.010	85.992	0.001	0.001	0.000	0.000	0.000	0.000
780	A	780	THR	0	0.013	-0.012	87.936	0.000	0.000	0.000	0.000	0.000	0.000
781	A	781	SER	0	-0.021	-0.020	84.489	0.001	0.001	0.000	0.000	0.000	0.000
782	A	782	LEU	0	-0.014	-0.016	81.444	0.001	0.001	0.000	0.000	0.000	0.000
783	A	783	GLU	-1	-0.936	-0.975	84.987	0.007	0.007	0.000	0.000	0.000	0.000
784	A	784	GLU	-1	-0.902	-0.939	87.006	0.010	0.010	0.000	0.000	0.000	0.000
785	A	785	ARG	1	0.807	0.896	82.272	-0.010	-0.010	0.000	0.000	0.000	0.000
786	A	786	PHE	0	-0.021	-0.018	78.550	0.001	0.001	0.000	0.000	0.000	0.000
787	A	787	ASN	0	-0.031	0.001	83.477	0.000	0.000	0.000	0.000	0.000	0.000
788	A	788	ALA	0	0.022	0.033	84.570	0.000	0.000	0.000	0.000	0.000	0.000
789	A	789	THR	0	0.000	-0.008	86.060	0.000	0.000	0.000	0.000	0.000	0.000
790	A	790	LEU	0	0.010	0.017	86.809	0.000	0.000	0.000	0.000	0.000	0.000
791	A	791	ARG	1	0.841	0.941	82.763	-0.004	-0.004	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)