FMO DATABASE

FMODB ID: 379NL

Calculation Name: 4J7R-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4J7R

Chain ID: A

ChEMBL ID:

UniProt ID: Q7X8Q2

Base Structure: X-ray

Registration Date: 2023-09-26

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	OptH
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	800
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-21241907.743948
FMO2-HF: Nuclear repulsion	20928551.690629
FMO2-HF: Total energy	-313356.053319
FMO2-MP2: Total energy	-314267.137624

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:76:LEU)

Summations of interaction energy for fragment #1(A:76:LEU)

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.
-25.852	-21.118	10.98	-7.041	-8.674	-0.064

Interaction energy analysis for fragmet #1(A:76:LEU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.028 / q_NPA : -0.021

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	78	CYS	0	0.000	0.002	3.127	-2.247	0.330	0.261	-1.057	-1.782	0.003
4	A	79	GLU	-1	-0.884	-0.939	2.002	-24.225	-22.481	10.719	-5.875	-6.588	-0.067
5	A	80	PRO	0	-0.012	-0.022	4.521	0.652	0.706	-0.001	-0.014	-0.039	0.000
6	A	81	SER	0	0.012	-0.004	7.519	-0.307	-0.307	0.000	0.000	0.000	0.000
7	A	82	GLY	0	-0.013	0.003	8.558	0.201	0.201	0.000	0.000	0.000	0.000
8	A	83	GLN	0	-0.053	-0.029	11.956	-0.041	-0.041	0.000	0.000	0.000	0.000
9	A	84	PRO	0	-0.006	-0.002	14.451	-0.061	-0.061	0.000	0.000	0.000	0.000
10	A	85	ALA	0	-0.006	-0.001	17.003	0.016	0.016	0.000	0.000	0.000	0.000
11	A	86	SER	0	-0.007	-0.003	18.350	0.035	0.035	0.000	0.000	0.000	0.000
12	A	87	THR	0	-0.042	-0.040	21.762	-0.007	-0.007	0.000	0.000	0.000	0.000
13	A	88	ALA	0	-0.055	-0.027	23.044	0.013	0.013	0.000	0.000	0.000	0.000
14	A	89	TYR	0	0.072	0.039	17.558	0.045	0.045	0.000	0.000	0.000	0.000
15	A	90	GLY	0	0.038	0.027	15.937	-0.009	-0.009	0.000	0.000	0.000	0.000
16	A	91	PRO	0	-0.028	-0.033	12.689	0.033	0.033	0.000	0.000	0.000	0.000
17	A	92	ALA	0	0.016	0.027	12.272	-0.050	-0.050	0.000	0.000	0.000	0.000
18	A	93	LEU	0	-0.044	-0.016	7.286	-0.232	-0.232	0.000	0.000	0.000	0.000
19	A	94	THR	0	0.011	0.016	4.084	0.116	0.475	0.001	-0.095	-0.265	0.000
20	A	95	GLY	0	0.023	0.016	6.357	0.608	0.608	0.000	0.000	0.000	0.000
21	A	96	ARG	1	0.884	0.919	6.029	-0.342	-0.342	0.000	0.000	0.000	0.000
22	A	97	PRO	0	0.030	0.025	8.135	-0.258	-0.258	0.000	0.000	0.000	0.000
23	A	98	ALA	0	0.001	0.061	10.800	-0.179	-0.179	0.000	0.000	0.000	0.000
24	A	99	PRO	0	-0.021	-0.027	11.660	0.081	0.081	0.000	0.000	0.000	0.000
25	A	100	LEU	0	0.002	-0.008	15.039	-0.001	-0.001	0.000	0.000	0.000	0.000
26	A	101	GLY	0	0.044	0.025	17.147	-0.027	-0.027	0.000	0.000	0.000	0.000
27	A	102	ALA	0	-0.020	-0.006	16.595	0.021	0.021	0.000	0.000	0.000	0.000
28	A	103	SER	0	-0.030	-0.031	14.922	0.010	0.010	0.000	0.000	0.000	0.000
29	A	104	ILE	0	-0.024	-0.008	15.482	-0.023	-0.023	0.000	0.000	0.000	0.000
30	A	105	ASP	-1	-0.856	-0.937	9.786	0.214	0.214	0.000	0.000	0.000	0.000
31	A	106	ALA	0	-0.052	-0.039	13.270	-0.056	-0.056	0.000	0.000	0.000	0.000
32	A	107	ASP	-1	-0.924	-0.953	10.449	0.120	0.120	0.000	0.000	0.000	0.000
33	A	108	THR	0	-0.027	-0.018	9.942	-0.067	-0.067	0.000	0.000	0.000	0.000
34	A	109	GLY	0	0.003	0.010	12.947	-0.028	-0.028	0.000	0.000	0.000	0.000
35	A	110	ALA	0	-0.044	-0.012	12.320	-0.009	-0.009	0.000	0.000	0.000	0.000
36	A	111	ILE	0	-0.019	-0.008	14.444	0.080	0.080	0.000	0.000	0.000	0.000
37	A	112	ASN	0	0.029	0.010	10.212	-0.080	-0.080	0.000	0.000	0.000	0.000
38	A	113	PHE	0	-0.024	-0.017	13.197	0.020	0.020	0.000	0.000	0.000	0.000
39	A	114	SER	0	-0.060	-0.062	13.145	0.047	0.047	0.000	0.000	0.000	0.000
40	A	115	VAL	0	0.040	0.023	14.897	-0.033	-0.033	0.000	0.000	0.000	0.000
41	A	116	PHE	0	0.008	0.003	17.183	0.037	0.037	0.000	0.000	0.000	0.000
42	A	117	SER	0	-0.046	-0.067	18.815	-0.048	-0.048	0.000	0.000	0.000	0.000
43	A	118	SER	0	-0.085	-0.076	19.296	0.017	0.017	0.000	0.000	0.000	0.000
44	A	119	SER	0	-0.047	-0.025	21.122	-0.011	-0.011	0.000	0.000	0.000	0.000
45	A	120	ALA	0	-0.013	0.015	20.504	-0.024	-0.024	0.000	0.000	0.000	0.000
46	A	121	GLU	-1	-0.878	-0.957	20.603	0.085	0.085	0.000	0.000	0.000	0.000
47	A	122	SER	0	-0.057	-0.045	19.109	-0.023	-0.023	0.000	0.000	0.000	0.000
48	A	123	VAL	0	0.003	0.020	17.389	0.006	0.006	0.000	0.000	0.000	0.000
49	A	124	SER	0	0.025	0.012	17.894	-0.031	-0.031	0.000	0.000	0.000	0.000
50	A	125	LEU	0	-0.005	0.019	16.838	0.027	0.027	0.000	0.000	0.000	0.000
51	A	126	VAL	0	-0.029	-0.016	19.334	-0.034	-0.034	0.000	0.000	0.000	0.000
52	A	127	LEU	0	0.005	0.000	20.089	0.015	0.015	0.000	0.000	0.000	0.000
53	A	128	PHE	0	0.018	0.004	24.076	-0.008	-0.008	0.000	0.000	0.000	0.000
54	A	129	THR	0	0.076	0.052	27.738	0.005	0.005	0.000	0.000	0.000	0.000
55	A	130	GLU	-1	-0.785	-0.893	30.247	0.000	0.000	0.000	0.000	0.000	0.000
56	A	131	ALA	0	-0.033	-0.017	33.063	0.004	0.004	0.000	0.000	0.000	0.000
57	A	132	ASP	-1	-0.800	-0.876	30.847	-0.064	-0.064	0.000	0.000	0.000	0.000
58	A	133	LEU	0	-0.023	-0.011	30.341	0.003	0.003	0.000	0.000	0.000	0.000
59	A	134	ASN	0	-0.035	-0.029	32.837	0.008	0.008	0.000	0.000	0.000	0.000
60	A	135	ALA	0	-0.049	-0.023	35.857	0.002	0.002	0.000	0.000	0.000	0.000
61	A	136	GLY	0	0.017	0.019	34.427	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	137	ARG	1	0.906	0.951	32.175	0.052	0.052	0.000	0.000	0.000	0.000
63	A	138	ALA	0	0.036	0.021	26.573	0.004	0.004	0.000	0.000	0.000	0.000
64	A	139	THR	0	-0.078	-0.074	26.782	0.000	0.000	0.000	0.000	0.000	0.000
65	A	140	PHE	0	-0.038	-0.027	22.431	-0.018	-0.018	0.000	0.000	0.000	0.000
66	A	141	GLU	-1	-0.829	-0.922	21.864	-0.046	-0.046	0.000	0.000	0.000	0.000
67	A	142	ILE	0	-0.035	-0.012	15.300	-0.034	-0.034	0.000	0.000	0.000	0.000
68	A	143	PRO	0	0.020	0.009	17.493	0.036	0.036	0.000	0.000	0.000	0.000
69	A	144	LEU	0	-0.052	0.001	13.422	-0.068	-0.068	0.000	0.000	0.000	0.000
70	A	145	ASP	-1	-0.821	-0.919	10.908	-0.279	-0.279	0.000	0.000	0.000	0.000
71	A	146	PRO	0	0.009	-0.003	11.795	0.116	0.116	0.000	0.000	0.000	0.000
72	A	147	TYR	0	-0.063	-0.028	11.334	0.142	0.142	0.000	0.000	0.000	0.000
73	A	148	VAL	0	0.001	0.011	5.978	0.054	0.054	0.000	0.000	0.000	0.000
74	A	149	ASN	0	-0.035	-0.023	7.436	0.384	0.384	0.000	0.000	0.000	0.000
75	A	150	ARG	1	1.008	1.016	9.599	-0.431	-0.431	0.000	0.000	0.000	0.000
76	A	151	THR	0	-0.065	-0.015	8.342	0.312	0.312	0.000	0.000	0.000	0.000
77	A	152	GLY	0	-0.024	-0.003	10.935	-0.090	-0.090	0.000	0.000	0.000	0.000
78	A	153	ASP	-1	-0.844	-0.929	14.423	0.344	0.344	0.000	0.000	0.000	0.000
79	A	154	VAL	0	-0.048	-0.017	13.305	-0.059	-0.059	0.000	0.000	0.000	0.000
80	A	155	TRP	0	0.004	0.005	12.926	0.156	0.156	0.000	0.000	0.000	0.000
81	A	156	HIS	1	0.797	0.860	7.112	-1.300	-1.300	0.000	0.000	0.000	0.000
82	A	157	ILE	0	0.019	0.013	10.392	-0.029	-0.029	0.000	0.000	0.000	0.000
83	A	158	MET	0	-0.028	0.002	8.466	0.148	0.148	0.000	0.000	0.000	0.000
84	A	159	LEU	0	0.010	0.002	11.508	-0.162	-0.162	0.000	0.000	0.000	0.000
85	A	160	PRO	0	0.031	0.015	12.628	0.086	0.086	0.000	0.000	0.000	0.000
86	A	161	ASP	-1	-0.932	-0.972	14.998	-0.302	-0.302	0.000	0.000	0.000	0.000
87	A	162	LEU	0	-0.039	-0.005	18.401	0.003	0.003	0.000	0.000	0.000	0.000
88	A	163	ARG	1	0.871	0.915	19.991	0.128	0.128	0.000	0.000	0.000	0.000
89	A	164	ASP	-1	-0.925	-0.970	23.765	-0.039	-0.039	0.000	0.000	0.000	0.000
90	A	165	ASP	-1	-0.878	-0.922	25.432	-0.062	-0.062	0.000	0.000	0.000	0.000
91	A	166	LEU	0	-0.054	-0.026	23.336	0.002	0.002	0.000	0.000	0.000	0.000
92	A	167	LEU	0	-0.064	-0.028	25.326	0.012	0.012	0.000	0.000	0.000	0.000
93	A	168	TYR	0	-0.075	-0.078	21.017	-0.022	-0.022	0.000	0.000	0.000	0.000
94	A	169	GLY	0	0.033	0.013	23.355	0.016	0.016	0.000	0.000	0.000	0.000
95	A	170	TYR	0	0.041	0.010	17.795	-0.011	-0.011	0.000	0.000	0.000	0.000
96	A	171	ARG	1	0.805	0.910	22.520	0.036	0.036	0.000	0.000	0.000	0.000
97	A	172	VAL	0	0.003	-0.006	21.844	-0.001	-0.001	0.000	0.000	0.000	0.000
98	A	173	GLU	-1	-0.837	-0.920	23.006	0.003	0.003	0.000	0.000	0.000	0.000
99	A	174	GLY	0	0.029	0.008	23.633	0.018	0.018	0.000	0.000	0.000	0.000
100	A	175	VAL	0	0.009	0.025	26.074	-0.010	-0.010	0.000	0.000	0.000	0.000
101	A	176	HIS	0	0.035	0.018	29.445	0.009	0.009	0.000	0.000	0.000	0.000
102	A	177	GLN	0	0.050	0.036	32.608	0.000	0.000	0.000	0.000	0.000	0.000
103	A	178	GLU	-1	-0.939	-0.976	35.467	0.035	0.035	0.000	0.000	0.000	0.000
104	A	179	GLU	-1	-0.935	-0.970	31.951	0.025	0.025	0.000	0.000	0.000	0.000
105	A	180	ASP	-1	-0.816	-0.906	33.992	0.037	0.037	0.000	0.000	0.000	0.000
106	A	181	LYS	1	0.782	0.870	35.544	-0.030	-0.030	0.000	0.000	0.000	0.000
107	A	182	ASP	-1	-0.886	-0.928	35.038	0.050	0.050	0.000	0.000	0.000	0.000
108	A	183	TYR	0	-0.067	-0.039	29.830	0.010	0.010	0.000	0.000	0.000	0.000
109	A	184	PRO	0	0.015	0.028	33.267	0.002	0.002	0.000	0.000	0.000	0.000
110	A	185	GLY	0	0.053	0.009	33.252	0.009	0.009	0.000	0.000	0.000	0.000
111	A	186	MET	0	-0.029	0.011	26.666	0.011	0.011	0.000	0.000	0.000	0.000
112	A	187	ARG	1	0.913	0.940	30.244	-0.074	-0.074	0.000	0.000	0.000	0.000
113	A	188	HIS	0	0.051	0.045	24.949	-0.008	-0.008	0.000	0.000	0.000	0.000
114	A	189	ASP	-1	-0.788	-0.904	28.960	0.012	0.012	0.000	0.000	0.000	0.000
115	A	190	LYS	1	0.926	0.974	26.859	0.024	0.024	0.000	0.000	0.000	0.000
116	A	191	ARG	1	0.846	0.914	28.322	-0.022	-0.022	0.000	0.000	0.000	0.000
117	A	192	ARG	1	0.878	0.954	29.874	-0.025	-0.025	0.000	0.000	0.000	0.000
118	A	193	VAL	0	0.018	0.014	25.353	0.000	0.000	0.000	0.000	0.000	0.000
119	A	194	VAL	0	-0.009	0.005	24.880	-0.001	-0.001	0.000	0.000	0.000	0.000
120	A	195	LEU	0	0.010	-0.005	25.548	-0.002	-0.002	0.000	0.000	0.000	0.000
121	A	196	ASP	-1	-0.760	-0.859	20.901	0.201	0.201	0.000	0.000	0.000	0.000
122	A	197	PRO	0	-0.001	0.000	22.735	-0.011	-0.011	0.000	0.000	0.000	0.000
123	A	198	TYR	0	-0.032	-0.043	21.356	-0.002	-0.002	0.000	0.000	0.000	0.000
124	A	199	ALA	0	-0.065	-0.015	23.465	-0.003	-0.003	0.000	0.000	0.000	0.000
125	A	200	VAL	0	0.022	0.012	24.136	-0.001	-0.001	0.000	0.000	0.000	0.000
126	A	201	ALA	0	-0.002	-0.022	25.994	-0.007	-0.007	0.000	0.000	0.000	0.000
127	A	202	VAL	0	0.030	0.022	28.108	-0.002	-0.002	0.000	0.000	0.000	0.000
128	A	203	LEU	0	-0.038	-0.014	30.563	-0.003	-0.003	0.000	0.000	0.000	0.000
129	A	204	ASN	0	0.040	0.006	32.413	-0.002	-0.002	0.000	0.000	0.000	0.000
130	A	205	ARG	1	0.828	0.928	35.170	-0.033	-0.033	0.000	0.000	0.000	0.000
131	A	206	ARG	1	0.774	0.883	35.316	-0.002	-0.002	0.000	0.000	0.000	0.000
132	A	207	ARG	1	0.943	0.960	39.407	-0.012	-0.012	0.000	0.000	0.000	0.000
133	A	208	TRP	0	-0.002	-0.008	43.008	0.000	0.000	0.000	0.000	0.000	0.000
134	A	209	GLY	0	0.006	-0.010	44.527	-0.002	-0.002	0.000	0.000	0.000	0.000
135	A	210	GLN	0	-0.069	-0.027	41.843	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	211	MET	0	0.002	0.011	43.582	0.002	0.002	0.000	0.000	0.000	0.000
137	A	212	GLY	0	0.050	0.017	41.389	-0.002	-0.002	0.000	0.000	0.000	0.000
138	A	213	PRO	0	-0.021	0.006	39.602	0.000	0.000	0.000	0.000	0.000	0.000
139	A	214	ASN	0	-0.047	-0.037	42.516	0.000	0.000	0.000	0.000	0.000	0.000
140	A	215	LEU	0	0.020	0.019	37.993	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	216	PRO	0	0.012	0.015	40.872	0.004	0.004	0.000	0.000	0.000	0.000
142	A	217	TYR	0	-0.004	-0.020	38.114	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	218	GLY	0	-0.035	-0.019	38.737	0.001	0.001	0.000	0.000	0.000	0.000
144	A	219	GLU	-1	-0.990	-0.983	39.289	-0.029	-0.029	0.000	0.000	0.000	0.000
145	A	220	GLU	-1	-0.886	-0.952	34.052	-0.033	-0.033	0.000	0.000	0.000	0.000
146	A	221	GLY	0	-0.035	-0.016	33.326	-0.003	-0.003	0.000	0.000	0.000	0.000
147	A	222	VAL	0	-0.088	-0.028	33.343	-0.001	-0.001	0.000	0.000	0.000	0.000
148	A	223	LEU	0	-0.044	-0.014	29.622	0.005	0.005	0.000	0.000	0.000	0.000
149	A	224	GLY	0	0.006	-0.007	33.620	0.000	0.000	0.000	0.000	0.000	0.000
150	A	225	VAL	0	-0.071	-0.033	35.567	-0.002	-0.002	0.000	0.000	0.000	0.000
151	A	226	MET	0	0.023	0.004	38.094	-0.002	-0.002	0.000	0.000	0.000	0.000
152	A	227	PRO	0	0.030	0.018	40.601	0.001	0.001	0.000	0.000	0.000	0.000
153	A	228	THR	0	0.046	0.010	42.250	-0.001	-0.001	0.000	0.000	0.000	0.000
154	A	229	TRP	0	-0.030	-0.010	36.126	0.005	0.005	0.000	0.000	0.000	0.000
155	A	230	PRO	0	-0.006	0.006	37.436	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	231	GLN	0	0.008	-0.010	29.684	0.003	0.003	0.000	0.000	0.000	0.000
157	A	232	ALA	0	-0.015	0.000	31.565	-0.002	-0.002	0.000	0.000	0.000	0.000
158	A	233	ALA	0	0.003	-0.003	27.575	-0.003	-0.003	0.000	0.000	0.000	0.000
159	A	234	ALA	0	0.009	0.014	24.522	0.004	0.004	0.000	0.000	0.000	0.000
160	A	235	ALA	0	-0.007	-0.013	25.446	-0.014	-0.014	0.000	0.000	0.000	0.000
161	A	236	LEU	0	0.047	0.029	20.514	0.017	0.017	0.000	0.000	0.000	0.000
162	A	237	PRO	0	0.010	0.018	19.093	0.003	0.003	0.000	0.000	0.000	0.000
163	A	238	ALA	0	-0.024	-0.021	22.419	-0.019	-0.019	0.000	0.000	0.000	0.000
164	A	239	ALA	0	0.040	0.025	22.452	0.008	0.008	0.000	0.000	0.000	0.000
165	A	240	ARG	1	0.995	0.979	19.057	-0.107	-0.107	0.000	0.000	0.000	0.000
166	A	241	GLY	0	-0.031	-0.017	22.366	-0.013	-0.013	0.000	0.000	0.000	0.000
167	A	242	SER	0	-0.025	0.000	25.460	-0.006	-0.006	0.000	0.000	0.000	0.000
168	A	243	ALA	0	-0.012	-0.004	27.171	0.007	0.007	0.000	0.000	0.000	0.000
169	A	244	PHE	0	0.011	0.002	28.841	-0.006	-0.006	0.000	0.000	0.000	0.000
170	A	245	ASP	-1	-0.859	-0.920	32.148	0.067	0.067	0.000	0.000	0.000	0.000
171	A	246	TRP	0	0.005	-0.030	31.634	-0.006	-0.006	0.000	0.000	0.000	0.000
172	A	247	GLU	-1	-0.893	-0.930	36.096	0.050	0.050	0.000	0.000	0.000	0.000
173	A	248	GLY	0	-0.048	-0.025	37.127	-0.001	-0.001	0.000	0.000	0.000	0.000
174	A	249	ASP	-1	-0.834	-0.897	37.234	0.087	0.087	0.000	0.000	0.000	0.000
175	A	250	THR	0	-0.025	-0.019	36.444	0.009	0.009	0.000	0.000	0.000	0.000
176	A	251	PRO	0	0.002	-0.003	35.562	-0.005	-0.005	0.000	0.000	0.000	0.000
177	A	252	LEU	0	-0.059	-0.009	38.573	-0.001	-0.001	0.000	0.000	0.000	0.000
178	A	253	ASN	0	-0.039	-0.012	40.567	0.000	0.000	0.000	0.000	0.000	0.000
179	A	254	LEU	0	-0.019	-0.006	42.147	-0.002	-0.002	0.000	0.000	0.000	0.000
180	A	255	PRO	0	0.029	0.010	45.287	0.003	0.003	0.000	0.000	0.000	0.000
181	A	256	MET	0	0.031	0.033	45.498	-0.003	-0.003	0.000	0.000	0.000	0.000
182	A	257	GLU	-1	-0.871	-0.961	47.537	0.071	0.071	0.000	0.000	0.000	0.000
183	A	258	SER	0	-0.101	-0.050	49.605	-0.004	-0.004	0.000	0.000	0.000	0.000
184	A	259	LEU	0	-0.054	-0.011	45.818	-0.002	-0.002	0.000	0.000	0.000	0.000
185	A	260	VAL	0	-0.014	-0.024	50.491	-0.002	-0.002	0.000	0.000	0.000	0.000
186	A	261	ILE	0	0.022	0.014	47.166	0.000	0.000	0.000	0.000	0.000	0.000
187	A	262	TYR	0	-0.056	-0.047	49.404	-0.003	-0.003	0.000	0.000	0.000	0.000
188	A	263	GLU	-1	-0.728	-0.862	47.689	0.060	0.060	0.000	0.000	0.000	0.000
189	A	264	ALA	0	0.007	-0.020	47.463	-0.004	-0.004	0.000	0.000	0.000	0.000
190	A	265	HIS	0	0.059	0.032	45.633	0.001	0.001	0.000	0.000	0.000	0.000
191	A	266	VAL	0	0.016	-0.001	42.029	-0.003	-0.003	0.000	0.000	0.000	0.000
192	A	267	ARG	1	0.860	0.937	45.411	-0.033	-0.033	0.000	0.000	0.000	0.000
193	A	268	GLY	0	0.045	0.014	47.260	-0.003	-0.003	0.000	0.000	0.000	0.000
194	A	269	PHE	0	-0.018	0.000	48.803	-0.002	-0.002	0.000	0.000	0.000	0.000
195	A	270	THR	0	0.024	0.013	49.004	-0.002	-0.002	0.000	0.000	0.000	0.000
196	A	271	ALA	0	0.034	0.035	50.572	-0.002	-0.002	0.000	0.000	0.000	0.000
197	A	272	HIS	0	0.000	0.016	52.064	-0.002	-0.002	0.000	0.000	0.000	0.000
198	A	273	ALA	0	0.045	0.013	55.684	0.000	0.000	0.000	0.000	0.000	0.000
199	A	274	SER	0	-0.063	-0.028	57.832	0.000	0.000	0.000	0.000	0.000	0.000
200	A	275	SER	0	-0.005	-0.004	53.589	0.000	0.000	0.000	0.000	0.000	0.000
201	A	276	GLY	0	-0.003	-0.010	55.804	0.001	0.001	0.000	0.000	0.000	0.000
202	A	277	VAL	0	-0.065	-0.005	50.548	0.000	0.000	0.000	0.000	0.000	0.000
203	A	278	ALA	0	-0.013	-0.020	49.452	-0.002	-0.002	0.000	0.000	0.000	0.000
204	A	279	ALA	0	-0.044	-0.022	46.184	-0.002	-0.002	0.000	0.000	0.000	0.000
205	A	280	PRO	0	0.013	0.016	47.653	0.003	0.003	0.000	0.000	0.000	0.000
206	A	281	GLY	0	-0.026	-0.019	47.749	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	282	THR	0	-0.047	-0.044	43.287	0.002	0.002	0.000	0.000	0.000	0.000
208	A	283	TYR	0	0.027	0.003	37.607	0.002	0.002	0.000	0.000	0.000	0.000
209	A	284	ALA	0	0.021	0.005	42.625	0.001	0.001	0.000	0.000	0.000	0.000
210	A	285	GLY	0	0.010	0.007	44.261	-0.001	-0.001	0.000	0.000	0.000	0.000
211	A	286	MET	0	-0.008	-0.012	45.297	0.000	0.000	0.000	0.000	0.000	0.000
212	A	287	VAL	0	0.007	0.001	43.690	0.001	0.001	0.000	0.000	0.000	0.000
213	A	288	GLU	-1	-0.849	-0.916	46.759	0.026	0.026	0.000	0.000	0.000	0.000
214	A	289	ARG	1	0.830	0.924	50.014	-0.031	-0.031	0.000	0.000	0.000	0.000
215	A	290	LEU	0	0.020	0.018	45.586	0.000	0.000	0.000	0.000	0.000	0.000
216	A	291	ASP	-1	-0.865	-0.915	50.283	0.039	0.039	0.000	0.000	0.000	0.000
217	A	292	TYR	0	-0.057	-0.051	53.327	0.000	0.000	0.000	0.000	0.000	0.000
218	A	293	LEU	0	0.058	0.023	49.519	0.000	0.000	0.000	0.000	0.000	0.000
219	A	294	LYS	1	0.978	0.994	51.956	-0.044	-0.044	0.000	0.000	0.000	0.000
220	A	295	SER	0	-0.068	-0.042	53.428	0.000	0.000	0.000	0.000	0.000	0.000
221	A	296	LEU	0	-0.028	-0.004	55.184	-0.001	-0.001	0.000	0.000	0.000	0.000
222	A	297	GLY	0	0.040	0.010	55.748	0.000	0.000	0.000	0.000	0.000	0.000
223	A	298	VAL	0	-0.037	0.004	50.431	0.001	0.001	0.000	0.000	0.000	0.000
224	A	299	ASN	0	-0.025	-0.014	49.487	0.000	0.000	0.000	0.000	0.000	0.000
225	A	300	ALA	0	0.034	0.025	46.115	0.003	0.003	0.000	0.000	0.000	0.000
226	A	301	ILE	0	-0.026	-0.005	44.414	-0.003	-0.003	0.000	0.000	0.000	0.000
227	A	302	GLU	-1	-0.869	-0.951	43.974	0.078	0.078	0.000	0.000	0.000	0.000
228	A	303	LEU	0	-0.049	-0.029	40.638	-0.004	-0.004	0.000	0.000	0.000	0.000
229	A	304	LEU	0	0.032	-0.005	42.284	0.003	0.003	0.000	0.000	0.000	0.000
230	A	305	PRO	0	-0.028	0.001	39.291	0.001	0.001	0.000	0.000	0.000	0.000
231	A	306	VAL	0	0.036	0.015	36.420	-0.004	-0.004	0.000	0.000	0.000	0.000
232	A	307	PHE	0	-0.045	-0.010	33.535	0.000	0.000	0.000	0.000	0.000	0.000
233	A	308	GLU	-1	-0.797	-0.903	33.203	0.048	0.048	0.000	0.000	0.000	0.000
234	A	309	PHE	0	0.055	0.026	35.218	0.003	0.003	0.000	0.000	0.000	0.000
235	A	310	ASN	0	0.043	0.016	37.867	-0.007	-0.007	0.000	0.000	0.000	0.000
236	A	311	GLU	-1	-0.672	-0.816	39.987	0.034	0.034	0.000	0.000	0.000	0.000
237	A	312	LEU	0	-0.057	-0.036	42.942	-0.002	-0.002	0.000	0.000	0.000	0.000
238	A	313	GLU	-1	-0.844	-0.901	41.286	0.051	0.051	0.000	0.000	0.000	0.000
239	A	314	TYR	0	0.001	-0.008	43.249	-0.002	-0.002	0.000	0.000	0.000	0.000
240	A	315	TYR	0	-0.010	-0.001	46.627	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	316	SER	0	-0.028	-0.024	48.584	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	317	GLN	0	-0.049	-0.018	52.159	0.001	0.001	0.000	0.000	0.000	0.000
243	A	318	ILE	0	-0.012	0.011	55.289	0.001	0.001	0.000	0.000	0.000	0.000
244	A	319	PRO	0	-0.062	-0.052	57.265	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	320	GLY	0	-0.014	0.014	60.338	0.000	0.000	0.000	0.000	0.000	0.000
246	A	321	SER	0	-0.015	-0.006	59.278	0.001	0.001	0.000	0.000	0.000	0.000
247	A	322	ASP	-1	-0.910	-0.947	60.631	0.016	0.016	0.000	0.000	0.000	0.000
248	A	323	GLN	0	0.026	0.025	54.706	-0.001	-0.001	0.000	0.000	0.000	0.000
249	A	324	TYR	0	-0.028	-0.031	52.318	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	325	ARG	1	0.845	0.922	50.740	-0.029	-0.029	0.000	0.000	0.000	0.000
251	A	326	PHE	0	0.022	-0.009	47.149	-0.001	-0.001	0.000	0.000	0.000	0.000
252	A	327	ASN	0	-0.067	-0.019	42.785	0.000	0.000	0.000	0.000	0.000	0.000
253	A	328	PHE	0	-0.011	-0.024	45.099	0.001	0.001	0.000	0.000	0.000	0.000
254	A	329	TRP	0	0.007	-0.019	45.687	0.002	0.002	0.000	0.000	0.000	0.000
255	A	330	GLY	0	0.086	0.038	42.135	0.002	0.002	0.000	0.000	0.000	0.000
256	A	331	TYR	0	-0.093	-0.073	40.617	0.002	0.002	0.000	0.000	0.000	0.000
257	A	332	SER	0	-0.007	-0.024	39.489	0.001	0.001	0.000	0.000	0.000	0.000
258	A	333	THR	0	-0.015	0.006	33.409	-0.002	-0.002	0.000	0.000	0.000	0.000
259	A	334	VAL	0	-0.041	-0.013	32.532	0.002	0.002	0.000	0.000	0.000	0.000
260	A	335	ASN	0	-0.016	-0.026	27.031	0.007	0.007	0.000	0.000	0.000	0.000
261	A	336	TYR	0	0.058	0.010	29.480	-0.003	-0.003	0.000	0.000	0.000	0.000
262	A	337	PHE	0	0.028	0.023	24.494	0.004	0.004	0.000	0.000	0.000	0.000
263	A	338	SER	0	-0.028	-0.002	28.552	-0.007	-0.007	0.000	0.000	0.000	0.000
264	A	339	PRO	0	-0.004	-0.004	30.617	-0.002	-0.002	0.000	0.000	0.000	0.000
265	A	340	MET	0	-0.011	0.030	34.044	-0.004	-0.004	0.000	0.000	0.000	0.000
266	A	341	GLY	0	0.039	0.024	36.064	-0.003	-0.003	0.000	0.000	0.000	0.000
267	A	342	ARG	1	0.724	0.827	36.862	-0.044	-0.044	0.000	0.000	0.000	0.000
268	A	343	PHE	0	-0.002	0.002	39.736	-0.003	-0.003	0.000	0.000	0.000	0.000
269	A	344	SER	0	-0.084	-0.054	37.932	0.000	0.000	0.000	0.000	0.000	0.000
270	A	345	ALA	0	0.002	-0.014	39.995	-0.004	-0.004	0.000	0.000	0.000	0.000
271	A	346	ALA	0	0.013	0.006	38.094	-0.004	-0.004	0.000	0.000	0.000	0.000
272	A	347	VAL	0	-0.001	0.010	35.647	-0.005	-0.005	0.000	0.000	0.000	0.000
273	A	348	GLY	0	0.018	0.011	38.328	-0.005	-0.005	0.000	0.000	0.000	0.000
274	A	349	GLN	0	-0.109	-0.058	41.557	-0.004	-0.004	0.000	0.000	0.000	0.000
275	A	350	GLY	0	-0.012	0.000	39.044	-0.003	-0.003	0.000	0.000	0.000	0.000
276	A	351	ALA	0	-0.017	-0.002	36.268	-0.004	-0.004	0.000	0.000	0.000	0.000
277	A	352	PRO	0	0.064	0.018	31.190	0.001	0.001	0.000	0.000	0.000	0.000
278	A	353	ALA	0	0.069	0.037	30.349	0.005	0.005	0.000	0.000	0.000	0.000
279	A	354	ARG	1	0.960	0.954	26.083	-0.031	-0.031	0.000	0.000	0.000	0.000
280	A	355	ALA	0	-0.016	0.010	30.613	0.005	0.005	0.000	0.000	0.000	0.000
281	A	356	SER	0	-0.004	-0.006	33.083	0.004	0.004	0.000	0.000	0.000	0.000
282	A	357	CYS	0	-0.012	0.009	30.221	0.003	0.003	0.000	0.000	0.000	0.000
283	A	358	ASP	-1	-0.853	-0.939	32.404	0.063	0.063	0.000	0.000	0.000	0.000
284	A	359	GLU	-1	-0.777	-0.867	34.435	0.038	0.038	0.000	0.000	0.000	0.000
285	A	360	PHE	0	0.022	0.004	35.187	0.000	0.000	0.000	0.000	0.000	0.000
286	A	361	LYS	1	0.945	0.976	29.033	-0.100	-0.100	0.000	0.000	0.000	0.000
287	A	362	GLN	0	0.000	0.008	36.020	0.002	0.002	0.000	0.000	0.000	0.000
288	A	363	LEU	0	0.006	-0.004	39.214	-0.001	-0.001	0.000	0.000	0.000	0.000
289	A	364	VAL	0	0.011	0.020	36.919	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	365	LYS	1	0.800	0.907	38.063	-0.059	-0.059	0.000	0.000	0.000	0.000
291	A	366	GLU	-1	-0.918	-0.970	40.544	0.045	0.045	0.000	0.000	0.000	0.000
292	A	367	CYS	0	-0.047	-0.017	42.860	-0.003	-0.003	0.000	0.000	0.000	0.000
293	A	368	HIS	1	0.822	0.881	38.411	-0.086	-0.086	0.000	0.000	0.000	0.000
294	A	369	ARG	1	0.913	0.975	42.871	-0.053	-0.053	0.000	0.000	0.000	0.000
295	A	370	ARG	1	0.741	0.854	45.900	-0.048	-0.048	0.000	0.000	0.000	0.000
296	A	371	GLY	0	-0.045	-0.019	47.116	-0.002	-0.002	0.000	0.000	0.000	0.000
297	A	372	ILE	0	-0.063	-0.035	46.178	0.000	0.000	0.000	0.000	0.000	0.000
298	A	373	GLU	-1	-0.770	-0.886	43.097	0.088	0.088	0.000	0.000	0.000	0.000
299	A	374	VAL	0	-0.003	-0.022	39.552	-0.004	-0.004	0.000	0.000	0.000	0.000
300	A	375	ILE	0	-0.021	-0.005	40.165	0.006	0.006	0.000	0.000	0.000	0.000
301	A	376	LEU	0	0.001	-0.005	35.421	-0.005	-0.005	0.000	0.000	0.000	0.000
302	A	377	ASP	-1	-0.733	-0.823	39.110	0.082	0.082	0.000	0.000	0.000	0.000
303	A	378	VAL	0	-0.055	-0.022	35.297	0.002	0.002	0.000	0.000	0.000	0.000
304	A	379	VAL	0	0.025	0.003	37.030	0.000	0.000	0.000	0.000	0.000	0.000
305	A	380	PHE	0	0.019	-0.002	31.024	0.001	0.001	0.000	0.000	0.000	0.000
306	A	381	ASN	0	0.000	-0.003	35.200	0.003	0.003	0.000	0.000	0.000	0.000
307	A	382	HIS	0	0.015	-0.015	36.985	-0.004	-0.004	0.000	0.000	0.000	0.000
308	A	383	THR	0	-0.021	-0.020	32.858	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	384	ALA	0	0.062	0.017	36.016	-0.004	-0.004	0.000	0.000	0.000	0.000
310	A	385	GLU	-1	-0.733	-0.798	32.106	0.086	0.086	0.000	0.000	0.000	0.000
311	A	386	GLY	0	0.056	0.046	36.426	-0.004	-0.004	0.000	0.000	0.000	0.000
312	A	387	ASN	0	0.047	0.027	38.169	0.004	0.004	0.000	0.000	0.000	0.000
313	A	388	GLU	-1	-0.835	-0.934	38.234	0.054	0.054	0.000	0.000	0.000	0.000
314	A	389	ARG	1	0.784	0.892	39.315	-0.045	-0.045	0.000	0.000	0.000	0.000
315	A	390	GLY	0	-0.001	0.025	39.625	-0.004	-0.004	0.000	0.000	0.000	0.000
316	A	391	PRO	0	-0.010	0.002	36.595	-0.002	-0.002	0.000	0.000	0.000	0.000
317	A	392	THR	0	-0.030	-0.027	31.103	0.007	0.007	0.000	0.000	0.000	0.000
318	A	393	ILE	0	-0.050	-0.028	31.537	-0.007	-0.007	0.000	0.000	0.000	0.000
319	A	394	SER	0	-0.036	-0.058	27.039	0.002	0.002	0.000	0.000	0.000	0.000
320	A	395	PHE	0	0.048	0.025	26.980	0.001	0.001	0.000	0.000	0.000	0.000
321	A	396	ARG	1	0.800	0.891	28.258	-0.064	-0.064	0.000	0.000	0.000	0.000
322	A	397	GLY	0	-0.027	-0.021	28.446	-0.001	-0.001	0.000	0.000	0.000	0.000
323	A	398	LEU	0	0.008	0.022	22.240	0.000	0.000	0.000	0.000	0.000	0.000
324	A	399	ASP	-1	-0.731	-0.827	23.938	0.218	0.218	0.000	0.000	0.000	0.000
325	A	400	ASN	0	0.038	0.035	26.108	0.004	0.004	0.000	0.000	0.000	0.000
326	A	401	ARG	1	0.822	0.893	28.535	-0.121	-0.121	0.000	0.000	0.000	0.000
327	A	402	VAL	0	-0.045	0.014	24.716	0.002	0.002	0.000	0.000	0.000	0.000
328	A	403	TYR	0	0.054	0.004	23.622	0.002	0.002	0.000	0.000	0.000	0.000
329	A	404	TYR	0	-0.065	-0.058	29.422	-0.005	-0.005	0.000	0.000	0.000	0.000
330	A	405	MET	0	0.003	0.018	33.111	0.001	0.001	0.000	0.000	0.000	0.000
331	A	406	LEU	0	-0.040	-0.002	33.262	-0.009	-0.009	0.000	0.000	0.000	0.000
332	A	407	ALA	0	0.049	0.040	36.838	0.005	0.005	0.000	0.000	0.000	0.000
333	A	408	PRO	0	0.027	0.004	37.501	0.002	0.002	0.000	0.000	0.000	0.000
334	A	409	GLY	0	0.025	0.021	37.833	0.000	0.000	0.000	0.000	0.000	0.000
335	A	410	GLY	0	-0.057	-0.040	36.701	-0.003	-0.003	0.000	0.000	0.000	0.000
336	A	411	GLU	-1	-0.935	-0.967	37.623	0.065	0.065	0.000	0.000	0.000	0.000
337	A	412	TYR	0	-0.013	-0.022	34.300	0.003	0.003	0.000	0.000	0.000	0.000
338	A	413	TYR	0	0.039	0.013	39.190	-0.005	-0.005	0.000	0.000	0.000	0.000
339	A	414	ASN	0	-0.016	0.005	40.539	0.004	0.004	0.000	0.000	0.000	0.000
340	A	415	TYR	0	0.048	0.018	40.975	-0.001	-0.001	0.000	0.000	0.000	0.000
341	A	416	SER	0	0.024	-0.004	40.991	-0.003	-0.003	0.000	0.000	0.000	0.000
342	A	417	GLY	0	-0.009	0.012	43.127	-0.003	-0.003	0.000	0.000	0.000	0.000
343	A	418	CYS	0	-0.051	-0.026	41.929	-0.005	-0.005	0.000	0.000	0.000	0.000
344	A	419	GLY	0	-0.063	-0.031	42.220	-0.002	-0.002	0.000	0.000	0.000	0.000
345	A	420	ASN	0	-0.057	-0.038	36.536	0.005	0.005	0.000	0.000	0.000	0.000
346	A	421	THR	0	0.063	0.018	37.736	-0.004	-0.004	0.000	0.000	0.000	0.000
347	A	422	LEU	0	-0.007	0.007	31.216	0.004	0.004	0.000	0.000	0.000	0.000
348	A	423	ASN	0	0.022	0.009	30.746	-0.011	-0.011	0.000	0.000	0.000	0.000
349	A	424	CYS	0	-0.027	-0.025	31.347	0.011	0.011	0.000	0.000	0.000	0.000
350	A	425	ASN	0	0.038	-0.010	31.182	0.020	0.020	0.000	0.000	0.000	0.000
351	A	426	GLN	0	0.037	0.039	26.256	0.027	0.027	0.000	0.000	0.000	0.000
352	A	427	PRO	0	-0.015	-0.023	24.733	0.002	0.002	0.000	0.000	0.000	0.000
353	A	428	VAL	0	0.040	0.025	21.734	0.012	0.012	0.000	0.000	0.000	0.000
354	A	429	VAL	0	0.003	0.014	24.038	0.002	0.002	0.000	0.000	0.000	0.000
355	A	430	ARG	1	0.920	0.970	27.233	-0.238	-0.238	0.000	0.000	0.000	0.000
356	A	431	GLN	0	-0.082	-0.031	21.297	0.004	0.004	0.000	0.000	0.000	0.000
357	A	432	PHE	0	0.000	0.002	24.585	-0.008	-0.008	0.000	0.000	0.000	0.000
358	A	433	ILE	0	-0.009	-0.007	25.433	-0.010	-0.010	0.000	0.000	0.000	0.000
359	A	434	LEU	0	0.044	0.009	26.562	-0.010	-0.010	0.000	0.000	0.000	0.000
360	A	435	ASP	-1	-0.857	-0.911	22.167	0.315	0.315	0.000	0.000	0.000	0.000
361	A	436	CYS	0	-0.050	0.002	25.226	-0.014	-0.014	0.000	0.000	0.000	0.000
362	A	437	LEU	0	0.009	0.001	27.936	-0.012	-0.012	0.000	0.000	0.000	0.000
363	A	438	LYS	1	0.957	0.969	23.489	-0.289	-0.289	0.000	0.000	0.000	0.000
364	A	439	HIS	0	0.005	0.036	25.615	0.005	0.005	0.000	0.000	0.000	0.000
365	A	440	TRP	0	0.009	-0.014	27.440	-0.013	-0.013	0.000	0.000	0.000	0.000
366	A	441	VAL	0	-0.015	0.000	30.968	-0.010	-0.010	0.000	0.000	0.000	0.000
367	A	442	THR	0	-0.061	-0.045	26.210	-0.005	-0.005	0.000	0.000	0.000	0.000
368	A	443	GLU	-1	-0.972	-0.993	25.749	0.158	0.158	0.000	0.000	0.000	0.000
369	A	444	TYR	0	-0.070	-0.048	29.235	-0.018	-0.018	0.000	0.000	0.000	0.000
370	A	445	HIS	1	0.791	0.908	31.940	-0.118	-0.118	0.000	0.000	0.000	0.000
371	A	446	VAL	0	0.039	0.022	34.457	-0.007	-0.007	0.000	0.000	0.000	0.000
372	A	447	ASP	-1	-0.740	-0.850	36.209	0.096	0.096	0.000	0.000	0.000	0.000
373	A	448	GLY	0	-0.018	-0.020	38.789	0.002	0.002	0.000	0.000	0.000	0.000
374	A	449	PHE	0	-0.027	-0.004	33.136	0.000	0.000	0.000	0.000	0.000	0.000
375	A	450	ARG	1	0.836	0.928	38.676	-0.076	-0.076	0.000	0.000	0.000	0.000
376	A	451	PHE	0	-0.015	-0.023	35.052	0.000	0.000	0.000	0.000	0.000	0.000
377	A	452	ASP	-1	-0.754	-0.901	40.217	0.074	0.074	0.000	0.000	0.000	0.000
378	A	453	LEU	0	-0.027	-0.006	40.931	0.006	0.006	0.000	0.000	0.000	0.000
379	A	454	ALA	0	0.031	0.011	40.465	0.004	0.004	0.000	0.000	0.000	0.000
380	A	455	SER	0	0.001	0.002	40.576	0.004	0.004	0.000	0.000	0.000	0.000
381	A	456	ILE	0	-0.052	0.019	37.996	0.004	0.004	0.000	0.000	0.000	0.000
382	A	457	LEU	0	-0.001	-0.011	35.580	0.006	0.006	0.000	0.000	0.000	0.000
383	A	458	THR	0	-0.017	-0.034	36.868	0.006	0.006	0.000	0.000	0.000	0.000
384	A	459	ARG	1	0.765	0.886	38.896	-0.088	-0.088	0.000	0.000	0.000	0.000
385	A	460	ALA	0	0.004	0.015	36.612	0.008	0.008	0.000	0.000	0.000	0.000
386	A	461	HIS	0	0.009	0.004	31.058	-0.008	-0.008	0.000	0.000	0.000	0.000
387	A	462	SER	0	0.004	-0.016	34.165	-0.005	-0.005	0.000	0.000	0.000	0.000
388	A	463	ALA	0	-0.048	-0.012	31.304	0.012	0.012	0.000	0.000	0.000	0.000
389	A	464	TRP	0	0.040	0.002	29.507	-0.013	-0.013	0.000	0.000	0.000	0.000
390	A	465	HIS	0	-0.021	-0.015	28.963	0.024	0.024	0.000	0.000	0.000	0.000
391	A	466	PRO	0	0.005	0.004	24.023	-0.004	-0.004	0.000	0.000	0.000	0.000
392	A	467	GLN	0	-0.014	0.003	24.428	-0.014	-0.014	0.000	0.000	0.000	0.000
393	A	468	GLN	0	-0.009	-0.014	24.194	0.006	0.006	0.000	0.000	0.000	0.000
394	A	469	TYR	0	0.002	-0.016	22.514	-0.004	-0.004	0.000	0.000	0.000	0.000
395	A	470	ASP	-1	-0.854	-0.912	25.266	0.036	0.036	0.000	0.000	0.000	0.000
396	A	471	GLN	0	-0.004	0.001	23.566	0.003	0.003	0.000	0.000	0.000	0.000
397	A	472	GLU	-1	-0.972	-0.985	23.598	0.009	0.009	0.000	0.000	0.000	0.000
398	A	473	THR	0	-0.096	-0.054	25.371	-0.014	-0.014	0.000	0.000	0.000	0.000
399	A	474	GLY	0	0.009	0.008	23.827	-0.013	-0.013	0.000	0.000	0.000	0.000
400	A	475	GLN	0	-0.050	-0.039	24.697	0.020	0.020	0.000	0.000	0.000	0.000
401	A	476	ARG	1	0.867	0.938	26.730	-0.037	-0.037	0.000	0.000	0.000	0.000
402	A	477	VAL	0	0.005	0.005	27.578	-0.011	-0.011	0.000	0.000	0.000	0.000
403	A	478	ALA	0	0.016	0.020	30.240	0.011	0.011	0.000	0.000	0.000	0.000
404	A	479	MET	0	-0.014	-0.007	29.096	0.002	0.002	0.000	0.000	0.000	0.000
405	A	480	SER	0	0.008	-0.003	33.961	-0.005	-0.005	0.000	0.000	0.000	0.000
406	A	481	SER	0	0.017	0.002	36.160	0.005	0.005	0.000	0.000	0.000	0.000
407	A	482	GLY	0	0.062	0.038	34.879	0.002	0.002	0.000	0.000	0.000	0.000
408	A	483	GLY	0	-0.019	-0.016	32.006	0.007	0.007	0.000	0.000	0.000	0.000
409	A	484	ALA	0	-0.038	0.003	32.517	0.012	0.012	0.000	0.000	0.000	0.000
410	A	485	ILE	0	-0.021	-0.015	31.086	-0.005	-0.005	0.000	0.000	0.000	0.000
411	A	486	VAL	0	0.004	0.001	35.433	0.000	0.000	0.000	0.000	0.000	0.000
412	A	487	THR	0	-0.016	-0.010	39.234	0.001	0.001	0.000	0.000	0.000	0.000
413	A	488	ALA	0	0.005	-0.007	42.363	-0.001	-0.001	0.000	0.000	0.000	0.000
414	A	489	GLU	-1	-0.972	-0.992	44.812	0.066	0.066	0.000	0.000	0.000	0.000
415	A	490	GLY	0	-0.021	-0.005	42.977	-0.003	-0.003	0.000	0.000	0.000	0.000
416	A	491	ILE	0	-0.038	-0.009	42.608	0.001	0.001	0.000	0.000	0.000	0.000
417	A	492	MET	0	0.017	0.013	35.040	0.002	0.002	0.000	0.000	0.000	0.000
418	A	493	THR	0	0.005	0.009	36.245	-0.003	-0.003	0.000	0.000	0.000	0.000
419	A	494	ASP	-1	-0.748	-0.888	34.300	0.146	0.146	0.000	0.000	0.000	0.000
420	A	495	GLY	0	-0.071	-0.049	32.567	0.013	0.013	0.000	0.000	0.000	0.000
421	A	496	ALA	0	-0.068	-0.032	33.570	0.003	0.003	0.000	0.000	0.000	0.000
422	A	497	GLY	0	-0.028	-0.014	35.226	-0.004	-0.004	0.000	0.000	0.000	0.000
423	A	498	VAL	0	-0.021	0.012	37.969	-0.009	-0.009	0.000	0.000	0.000	0.000
424	A	499	PRO	0	-0.019	0.005	38.836	0.003	0.003	0.000	0.000	0.000	0.000
425	A	500	THR	0	0.023	-0.040	37.109	0.001	0.001	0.000	0.000	0.000	0.000
426	A	501	GLY	0	0.007	0.004	39.235	-0.007	-0.007	0.000	0.000	0.000	0.000
427	A	502	TYR	0	-0.053	-0.019	41.160	-0.004	-0.004	0.000	0.000	0.000	0.000
428	A	503	PRO	0	0.000	0.000	40.982	0.006	0.006	0.000	0.000	0.000	0.000
429	A	504	LEU	0	0.012	-0.009	37.046	-0.003	-0.003	0.000	0.000	0.000	0.000
430	A	505	ALA	0	0.005	0.000	41.101	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	506	ASP	-1	-0.840	-0.860	37.614	0.142	0.142	0.000	0.000	0.000	0.000
432	A	507	PRO	0	-0.041	0.011	36.378	0.007	0.007	0.000	0.000	0.000	0.000
433	A	508	PRO	0	0.109	0.045	31.213	0.002	0.002	0.000	0.000	0.000	0.000
434	A	509	LEU	0	-0.027	-0.014	30.789	0.010	0.010	0.000	0.000	0.000	0.000
435	A	510	VAL	0	-0.002	-0.003	32.500	0.003	0.003	0.000	0.000	0.000	0.000
436	A	511	GLU	-1	-0.898	-0.929	33.500	0.174	0.174	0.000	0.000	0.000	0.000
437	A	512	SER	0	0.000	-0.011	29.623	0.009	0.009	0.000	0.000	0.000	0.000
438	A	513	ILE	0	-0.063	-0.037	31.609	0.003	0.003	0.000	0.000	0.000	0.000
439	A	514	SER	0	-0.072	-0.042	33.156	-0.007	-0.007	0.000	0.000	0.000	0.000
440	A	515	GLU	-1	-0.927	-0.968	32.919	0.166	0.166	0.000	0.000	0.000	0.000
441	A	516	ASP	-1	-0.873	-0.928	27.665	0.247	0.247	0.000	0.000	0.000	0.000
442	A	517	PRO	0	-0.036	-0.034	28.581	-0.014	-0.014	0.000	0.000	0.000	0.000
443	A	518	VAL	0	-0.061	-0.038	26.719	-0.011	-0.011	0.000	0.000	0.000	0.000
444	A	519	LEU	0	0.056	0.026	30.106	-0.011	-0.011	0.000	0.000	0.000	0.000
445	A	520	ARG	1	0.892	0.966	32.565	-0.173	-0.173	0.000	0.000	0.000	0.000
446	A	521	ASN	0	-0.037	-0.024	35.466	-0.008	-0.008	0.000	0.000	0.000	0.000
447	A	522	THR	0	-0.007	0.018	35.142	-0.003	-0.003	0.000	0.000	0.000	0.000
448	A	523	LYS	1	0.825	0.894	37.439	-0.088	-0.088	0.000	0.000	0.000	0.000
449	A	524	MET	0	0.011	0.026	34.994	0.000	0.000	0.000	0.000	0.000	0.000
450	A	525	ILE	0	0.025	0.015	40.224	-0.004	-0.004	0.000	0.000	0.000	0.000
451	A	526	ALA	0	0.016	0.009	42.111	0.002	0.002	0.000	0.000	0.000	0.000
452	A	527	GLU	-1	-0.827	-0.916	43.543	0.067	0.067	0.000	0.000	0.000	0.000
453	A	528	ALA	0	-0.029	-0.008	45.070	0.002	0.002	0.000	0.000	0.000	0.000
454	A	529	TRP	0	-0.001	-0.018	46.126	-0.003	-0.003	0.000	0.000	0.000	0.000
455	A	530	ASP	-1	-0.763	-0.854	44.424	0.082	0.082	0.000	0.000	0.000	0.000
456	A	531	CYS	0	-0.056	-0.034	46.072	-0.004	-0.004	0.000	0.000	0.000	0.000
457	A	532	ASP	-1	-0.924	-0.975	46.996	0.065	0.065	0.000	0.000	0.000	0.000
458	A	533	GLY	0	-0.038	-0.008	48.801	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	534	LEU	0	-0.077	-0.018	44.827	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	535	ASN	0	0.010	-0.015	48.576	0.001	0.001	0.000	0.000	0.000	0.000
461	A	536	GLN	0	0.045	0.004	43.665	0.001	0.001	0.000	0.000	0.000	0.000
462	A	537	VAL	0	0.022	0.017	48.675	0.002	0.002	0.000	0.000	0.000	0.000
463	A	538	GLY	0	-0.052	-0.050	50.339	-0.002	-0.002	0.000	0.000	0.000	0.000
464	A	539	ALA	0	-0.129	-0.069	48.615	0.000	0.000	0.000	0.000	0.000	0.000
465	A	540	PHE	0	0.074	0.048	40.201	0.001	0.001	0.000	0.000	0.000	0.000
466	A	541	PRO	0	0.002	-0.024	40.676	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	542	HIS	0	0.000	0.009	41.171	0.008	0.008	0.000	0.000	0.000	0.000
468	A	543	TYR	0	-0.006	-0.079	38.072	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	544	GLY	0	-0.014	0.000	41.066	0.002	0.002	0.000	0.000	0.000	0.000
470	A	545	GLY	0	-0.041	-0.031	43.767	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	546	ARG	1	0.815	0.934	36.003	-0.134	-0.134	0.000	0.000	0.000	0.000
472	A	547	TRP	0	-0.013	-0.015	37.150	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	548	SER	0	-0.049	-0.044	43.005	-0.003	-0.003	0.000	0.000	0.000	0.000
474	A	549	GLU	-1	-0.763	-0.873	45.086	0.084	0.084	0.000	0.000	0.000	0.000
475	A	550	TRP	0	0.047	0.025	47.194	-0.003	-0.003	0.000	0.000	0.000	0.000
476	A	551	ASN	0	-0.024	-0.021	49.506	-0.001	-0.001	0.000	0.000	0.000	0.000
477	A	552	GLY	0	0.051	0.008	52.863	-0.003	-0.003	0.000	0.000	0.000	0.000
478	A	553	LYS	1	0.964	0.989	54.528	-0.052	-0.052	0.000	0.000	0.000	0.000
479	A	554	PHE	0	-0.014	0.000	56.527	-0.003	-0.003	0.000	0.000	0.000	0.000
480	A	555	ARG	1	0.912	0.971	54.432	-0.053	-0.053	0.000	0.000	0.000	0.000
481	A	556	ASP	-1	-0.883	-0.945	58.586	0.046	0.046	0.000	0.000	0.000	0.000
482	A	557	VAL	0	-0.046	-0.024	60.863	-0.002	-0.002	0.000	0.000	0.000	0.000
483	A	558	VAL	0	-0.022	-0.004	61.326	-0.002	-0.002	0.000	0.000	0.000	0.000
484	A	559	ARG	1	0.817	0.892	58.680	-0.044	-0.044	0.000	0.000	0.000	0.000
485	A	560	ASN	0	0.027	0.013	64.346	-0.003	-0.003	0.000	0.000	0.000	0.000
486	A	561	PHE	0	0.016	0.017	66.713	-0.002	-0.002	0.000	0.000	0.000	0.000
487	A	562	ILE	0	-0.030	-0.014	66.304	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	563	LYS	1	0.863	0.935	67.933	-0.035	-0.035	0.000	0.000	0.000	0.000
489	A	564	GLY	0	-0.013	0.003	70.550	-0.001	-0.001	0.000	0.000	0.000	0.000
490	A	565	THR	0	-0.098	-0.059	69.706	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	566	ASP	-1	-0.790	-0.888	72.220	0.030	0.030	0.000	0.000	0.000	0.000
492	A	567	GLY	0	-0.003	-0.001	70.894	0.001	0.001	0.000	0.000	0.000	0.000
493	A	568	PRO	0	0.041	0.019	67.262	-0.001	-0.001	0.000	0.000	0.000	0.000
494	A	569	TRP	0	0.012	-0.003	63.905	0.002	0.002	0.000	0.000	0.000	0.000
495	A	570	ALA	0	0.053	0.039	67.664	0.001	0.001	0.000	0.000	0.000	0.000
496	A	571	GLY	0	0.051	0.013	68.600	0.001	0.001	0.000	0.000	0.000	0.000
497	A	572	ASP	-1	-0.883	-0.957	63.962	0.046	0.046	0.000	0.000	0.000	0.000
498	A	573	PHE	0	-0.013	-0.026	63.669	0.002	0.002	0.000	0.000	0.000	0.000
499	A	574	ALA	0	-0.006	0.000	64.621	0.001	0.001	0.000	0.000	0.000	0.000
500	A	575	SER	0	-0.026	-0.014	61.825	0.001	0.001	0.000	0.000	0.000	0.000
501	A	576	ALA	0	-0.006	-0.003	60.058	0.002	0.002	0.000	0.000	0.000	0.000
502	A	577	ILE	0	0.007	0.014	60.089	0.001	0.001	0.000	0.000	0.000	0.000
503	A	578	CYS	0	-0.051	-0.022	61.258	0.001	0.001	0.000	0.000	0.000	0.000
504	A	579	GLY	0	0.024	0.007	57.128	0.002	0.002	0.000	0.000	0.000	0.000
505	A	580	SER	0	-0.017	-0.010	56.180	0.002	0.002	0.000	0.000	0.000	0.000
506	A	581	PRO	0	0.057	0.029	56.849	0.002	0.002	0.000	0.000	0.000	0.000
507	A	582	ASN	0	-0.030	-0.027	58.044	0.002	0.002	0.000	0.000	0.000	0.000
508	A	583	ILE	0	-0.036	0.000	53.585	0.000	0.000	0.000	0.000	0.000	0.000
509	A	584	TYR	0	0.025	-0.003	50.048	0.001	0.001	0.000	0.000	0.000	0.000
510	A	585	ALA	0	-0.043	0.000	53.088	0.002	0.002	0.000	0.000	0.000	0.000
511	A	586	ASN	0	-0.016	-0.006	55.722	0.002	0.002	0.000	0.000	0.000	0.000
512	A	587	ASN	0	0.028	-0.003	54.749	0.003	0.003	0.000	0.000	0.000	0.000
513	A	588	THR	0	-0.059	-0.029	56.621	0.000	0.000	0.000	0.000	0.000	0.000
514	A	589	PRO	0	-0.024	-0.023	55.028	-0.002	-0.002	0.000	0.000	0.000	0.000
515	A	590	HIS	0	0.039	0.039	57.501	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	591	GLU	-1	-0.918	-0.957	58.309	0.052	0.052	0.000	0.000	0.000	0.000
517	A	592	THR	0	0.003	-0.017	58.935	0.001	0.001	0.000	0.000	0.000	0.000
518	A	593	ASP	-1	-0.902	-0.946	53.508	0.067	0.067	0.000	0.000	0.000	0.000
519	A	594	TRP	0	0.040	0.021	46.400	0.001	0.001	0.000	0.000	0.000	0.000
520	A	595	TRP	0	0.022	0.021	43.720	0.002	0.002	0.000	0.000	0.000	0.000
521	A	596	ALA	0	-0.020	0.002	49.989	0.003	0.003	0.000	0.000	0.000	0.000
522	A	597	ASN	0	-0.103	-0.070	52.311	0.000	0.000	0.000	0.000	0.000	0.000
523	A	598	ASN	0	-0.078	-0.040	49.173	0.001	0.001	0.000	0.000	0.000	0.000
524	A	599	GLY	0	0.038	0.021	45.946	0.002	0.002	0.000	0.000	0.000	0.000
525	A	600	GLY	0	0.045	0.013	46.035	0.004	0.004	0.000	0.000	0.000	0.000
526	A	601	ARG	1	0.959	0.973	48.101	-0.071	-0.071	0.000	0.000	0.000	0.000
527	A	602	GLN	0	-0.039	-0.025	42.843	-0.005	-0.005	0.000	0.000	0.000	0.000
528	A	603	TRP	0	-0.053	-0.003	41.271	0.000	0.000	0.000	0.000	0.000	0.000
529	A	604	LYS	1	0.831	0.937	47.588	-0.072	-0.072	0.000	0.000	0.000	0.000
530	A	605	GLY	0	0.078	0.051	50.864	-0.003	-0.003	0.000	0.000	0.000	0.000
531	A	606	GLY	0	-0.050	-0.030	49.495	0.003	0.003	0.000	0.000	0.000	0.000
532	A	607	ARG	1	0.824	0.913	46.640	-0.082	-0.082	0.000	0.000	0.000	0.000
533	A	608	GLY	0	0.019	0.016	50.408	-0.003	-0.003	0.000	0.000	0.000	0.000
534	A	609	PRO	0	-0.021	-0.010	52.290	0.001	0.001	0.000	0.000	0.000	0.000
535	A	610	HIS	0	0.060	0.037	47.959	-0.004	-0.004	0.000	0.000	0.000	0.000
536	A	611	ALA	0	0.001	0.022	48.341	0.002	0.002	0.000	0.000	0.000	0.000
537	A	612	SER	0	-0.005	0.015	49.288	0.001	0.001	0.000	0.000	0.000	0.000
538	A	613	ILE	0	0.020	0.012	47.484	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	614	ASN	0	-0.014	-0.008	51.073	0.000	0.000	0.000	0.000	0.000	0.000
540	A	615	PHE	0	0.084	0.025	52.277	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	616	VAL	0	0.006	-0.007	55.424	-0.001	-0.001	0.000	0.000	0.000	0.000
542	A	617	ALA	0	-0.009	-0.023	56.525	-0.002	-0.002	0.000	0.000	0.000	0.000
543	A	618	ALA	0	0.049	0.049	51.281	0.002	0.002	0.000	0.000	0.000	0.000
544	A	619	HIS	1	0.860	0.922	47.629	-0.060	-0.060	0.000	0.000	0.000	0.000
545	A	620	ASP	-1	-0.941	-0.966	51.119	0.051	0.051	0.000	0.000	0.000	0.000
546	A	621	GLY	0	0.045	0.014	52.936	0.000	0.000	0.000	0.000	0.000	0.000
547	A	622	PHE	0	-0.118	-0.068	56.542	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	623	THR	0	0.040	0.014	57.907	0.001	0.001	0.000	0.000	0.000	0.000
549	A	624	LEU	0	0.015	-0.006	59.576	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	625	ALA	0	0.001	-0.008	61.809	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	626	ASP	-1	-0.772	-0.869	62.360	0.029	0.029	0.000	0.000	0.000	0.000
552	A	627	MET	0	-0.039	-0.014	62.103	0.000	0.000	0.000	0.000	0.000	0.000
553	A	628	VAL	0	-0.019	-0.010	64.820	0.000	0.000	0.000	0.000	0.000	0.000
554	A	629	ALA	0	-0.023	-0.018	67.540	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	630	TYR	0	0.015	0.013	65.913	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	631	ASN	0	-0.001	0.015	67.337	0.002	0.002	0.000	0.000	0.000	0.000
557	A	632	ASN	0	-0.051	-0.031	65.882	0.001	0.001	0.000	0.000	0.000	0.000
558	A	633	LYS	1	0.819	0.926	60.030	-0.036	-0.036	0.000	0.000	0.000	0.000
559	A	634	HIS	1	0.822	0.898	63.206	-0.027	-0.027	0.000	0.000	0.000	0.000
560	A	635	ASN	0	0.059	0.017	58.512	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	636	GLU	-1	-0.872	-0.931	60.365	0.025	0.025	0.000	0.000	0.000	0.000
562	A	637	ALA	0	-0.005	-0.007	60.484	0.000	0.000	0.000	0.000	0.000	0.000
563	A	638	ASN	0	0.023	0.006	56.288	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	639	GLY	0	-0.004	-0.007	56.732	0.001	0.001	0.000	0.000	0.000	0.000
565	A	640	GLU	-1	-0.949	-0.983	54.536	0.034	0.034	0.000	0.000	0.000	0.000
566	A	641	ASN	0	-0.044	-0.038	58.825	0.000	0.000	0.000	0.000	0.000	0.000
567	A	642	ASN	0	0.024	0.008	61.483	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	643	ARG	1	0.945	0.974	58.504	-0.029	-0.029	0.000	0.000	0.000	0.000
569	A	644	ASP	-1	-0.762	-0.845	55.367	0.036	0.036	0.000	0.000	0.000	0.000
570	A	645	GLY	0	0.036	0.014	55.825	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	646	GLU	-1	-0.812	-0.893	56.897	0.045	0.045	0.000	0.000	0.000	0.000
572	A	647	GLN	0	-0.030	-0.030	58.126	-0.003	-0.003	0.000	0.000	0.000	0.000
573	A	648	HIS	0	-0.050	-0.031	60.812	-0.003	-0.003	0.000	0.000	0.000	0.000
574	A	649	ASN	0	0.033	0.016	60.643	0.002	0.002	0.000	0.000	0.000	0.000
575	A	650	ASN	0	-0.027	-0.007	61.860	-0.001	-0.001	0.000	0.000	0.000	0.000
576	A	651	SER	0	-0.016	-0.025	64.729	0.001	0.001	0.000	0.000	0.000	0.000
577	A	652	TRP	0	0.030	0.004	66.487	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	653	ASN	0	-0.059	-0.032	69.882	0.000	0.000	0.000	0.000	0.000	0.000
579	A	654	CYS	0	-0.024	-0.020	71.272	-0.001	-0.001	0.000	0.000	0.000	0.000
580	A	655	GLY	0	0.007	0.001	74.008	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	656	GLU	-1	-0.895	-0.946	74.938	0.019	0.019	0.000	0.000	0.000	0.000
582	A	657	GLU	-1	-0.731	-0.823	69.418	0.028	0.028	0.000	0.000	0.000	0.000
583	A	658	GLY	0	0.039	0.028	70.007	-0.001	-0.001	0.000	0.000	0.000	0.000
584	A	659	PRO	0	-0.008	-0.014	69.718	0.000	0.000	0.000	0.000	0.000	0.000
585	A	660	THR	0	0.023	0.006	72.543	-0.001	-0.001	0.000	0.000	0.000	0.000
586	A	661	THR	0	-0.006	-0.008	76.181	0.000	0.000	0.000	0.000	0.000	0.000
587	A	662	LYS	1	0.934	0.976	79.148	-0.020	-0.020	0.000	0.000	0.000	0.000
588	A	663	TRP	0	0.037	0.014	78.852	0.001	0.001	0.000	0.000	0.000	0.000
589	A	664	GLU	-1	-0.901	-0.989	79.042	0.021	0.021	0.000	0.000	0.000	0.000
590	A	665	VAL	0	0.028	0.035	74.901	0.001	0.001	0.000	0.000	0.000	0.000
591	A	666	ASN	0	-0.024	-0.024	74.507	0.001	0.001	0.000	0.000	0.000	0.000
592	A	667	ARG	1	0.876	0.954	74.489	-0.020	-0.020	0.000	0.000	0.000	0.000
593	A	668	LEU	0	-0.015	0.003	74.135	0.001	0.001	0.000	0.000	0.000	0.000
594	A	669	ARG	1	0.879	0.944	70.446	-0.024	-0.024	0.000	0.000	0.000	0.000
595	A	670	GLN	0	0.006	0.008	70.136	0.001	0.001	0.000	0.000	0.000	0.000
596	A	671	ARG	1	0.820	0.915	70.486	-0.025	-0.025	0.000	0.000	0.000	0.000
597	A	672	GLN	0	0.023	0.000	69.234	0.001	0.001	0.000	0.000	0.000	0.000
598	A	673	MET	0	-0.006	0.011	64.898	0.001	0.001	0.000	0.000	0.000	0.000
599	A	674	ARG	1	0.763	0.882	65.445	-0.027	-0.027	0.000	0.000	0.000	0.000
600	A	675	ASN	0	-0.002	-0.006	66.622	0.001	0.001	0.000	0.000	0.000	0.000
601	A	676	LEU	0	0.023	0.011	63.465	0.001	0.001	0.000	0.000	0.000	0.000
602	A	677	THR	0	0.024	0.001	61.268	0.002	0.002	0.000	0.000	0.000	0.000
603	A	678	GLY	0	0.011	0.000	62.273	0.001	0.001	0.000	0.000	0.000	0.000
604	A	679	ALA	0	0.010	0.001	63.679	0.001	0.001	0.000	0.000	0.000	0.000
605	A	680	LEU	0	-0.055	0.014	56.271	0.001	0.001	0.000	0.000	0.000	0.000
606	A	681	LEU	0	0.014	-0.001	57.617	0.002	0.002	0.000	0.000	0.000	0.000
607	A	682	LEU	0	-0.053	-0.006	60.238	0.000	0.000	0.000	0.000	0.000	0.000
608	A	683	SER	0	-0.009	-0.020	59.475	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	684	CYS	0	-0.036	-0.011	57.601	0.001	0.001	0.000	0.000	0.000	0.000
610	A	685	GLY	0	0.036	0.019	53.850	0.000	0.000	0.000	0.000	0.000	0.000
611	A	686	VAL	0	-0.019	-0.016	49.457	-0.002	-0.002	0.000	0.000	0.000	0.000
612	A	687	PRO	0	-0.047	-0.002	52.657	0.000	0.000	0.000	0.000	0.000	0.000
613	A	688	MET	0	0.029	0.012	49.620	0.002	0.002	0.000	0.000	0.000	0.000
614	A	689	ILE	0	-0.069	-0.045	52.625	-0.002	-0.002	0.000	0.000	0.000	0.000
615	A	690	ASN	0	0.026	0.029	52.558	0.003	0.003	0.000	0.000	0.000	0.000
616	A	691	MET	0	-0.026	0.011	50.085	-0.003	-0.003	0.000	0.000	0.000	0.000
617	A	692	GLY	0	0.007	0.004	53.704	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	693	ASP	-1	-0.790	-0.916	57.131	0.039	0.039	0.000	0.000	0.000	0.000
619	A	694	GLU	-1	-0.781	-0.852	56.642	0.039	0.039	0.000	0.000	0.000	0.000
620	A	695	TYR	0	-0.022	-0.004	57.873	-0.001	-0.001	0.000	0.000	0.000	0.000
621	A	696	GLY	0	-0.032	-0.018	62.105	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	697	HIS	0	0.002	0.030	57.440	-0.002	-0.002	0.000	0.000	0.000	0.000
623	A	698	SER	0	-0.051	-0.034	61.273	0.000	0.000	0.000	0.000	0.000	0.000
624	A	699	LYS	1	0.914	0.964	54.368	-0.040	-0.040	0.000	0.000	0.000	0.000
625	A	700	ASN	0	-0.045	-0.027	60.864	0.000	0.000	0.000	0.000	0.000	0.000
626	A	701	GLY	0	0.026	0.012	63.540	-0.001	-0.001	0.000	0.000	0.000	0.000
627	A	702	ASN	0	-0.002	-0.006	58.214	0.002	0.002	0.000	0.000	0.000	0.000
628	A	703	ASN	0	-0.082	-0.029	58.566	0.000	0.000	0.000	0.000	0.000	0.000
629	A	704	ASN	0	0.027	-0.010	53.000	0.004	0.004	0.000	0.000	0.000	0.000
630	A	705	THR	0	-0.023	-0.004	54.220	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	706	TYR	0	0.063	0.036	49.130	-0.001	-0.001	0.000	0.000	0.000	0.000
632	A	707	CYS	0	-0.028	-0.013	49.573	0.000	0.000	0.000	0.000	0.000	0.000
633	A	708	HIS	0	-0.028	-0.007	51.469	-0.003	-0.003	0.000	0.000	0.000	0.000
634	A	709	ASP	-1	-0.744	-0.803	50.230	0.031	0.031	0.000	0.000	0.000	0.000
635	A	710	SER	0	0.036	-0.001	52.071	-0.002	-0.002	0.000	0.000	0.000	0.000
636	A	711	GLU	-1	-0.891	-0.966	55.081	0.024	0.024	0.000	0.000	0.000	0.000
637	A	712	LEU	0	-0.018	0.008	56.530	0.001	0.001	0.000	0.000	0.000	0.000
638	A	713	ASN	0	-0.047	-0.022	51.924	0.002	0.002	0.000	0.000	0.000	0.000
639	A	714	TYR	0	-0.067	-0.079	51.653	0.001	0.001	0.000	0.000	0.000	0.000
640	A	715	LEU	0	0.022	0.002	53.657	-0.001	-0.001	0.000	0.000	0.000	0.000
641	A	716	ARG	1	0.790	0.896	55.565	-0.026	-0.026	0.000	0.000	0.000	0.000
642	A	717	TRP	0	0.051	0.008	53.209	0.000	0.000	0.000	0.000	0.000	0.000
643	A	718	ASP	-1	-0.812	-0.914	59.520	0.023	0.023	0.000	0.000	0.000	0.000
644	A	719	GLN	0	-0.006	-0.013	62.562	0.001	0.001	0.000	0.000	0.000	0.000
645	A	720	LEU	0	-0.052	-0.006	58.591	0.000	0.000	0.000	0.000	0.000	0.000
646	A	721	ALA	0	-0.041	-0.029	62.616	0.000	0.000	0.000	0.000	0.000	0.000
647	A	722	GLU	-1	-0.980	-0.980	64.537	0.021	0.021	0.000	0.000	0.000	0.000
648	A	723	ASP	-1	-0.814	-0.909	66.147	0.028	0.028	0.000	0.000	0.000	0.000
649	A	724	PRO	0	0.049	0.028	67.581	0.000	0.000	0.000	0.000	0.000	0.000
650	A	725	HIS	0	-0.022	-0.020	68.804	0.000	0.000	0.000	0.000	0.000	0.000
651	A	726	GLY	0	0.017	0.017	69.152	0.000	0.000	0.000	0.000	0.000	0.000
652	A	727	PHE	0	-0.041	-0.024	62.991	0.001	0.001	0.000	0.000	0.000	0.000
653	A	728	ASN	0	0.017	-0.017	60.400	0.001	0.001	0.000	0.000	0.000	0.000
654	A	729	ARG	1	0.806	0.895	63.485	-0.027	-0.027	0.000	0.000	0.000	0.000
655	A	730	PHE	0	-0.029	-0.005	65.469	0.001	0.001	0.000	0.000	0.000	0.000
656	A	731	VAL	0	0.024	0.010	60.154	0.001	0.001	0.000	0.000	0.000	0.000
657	A	732	ARG	1	0.957	0.992	60.414	-0.031	-0.031	0.000	0.000	0.000	0.000
658	A	733	LEU	0	-0.040	-0.009	61.459	0.001	0.001	0.000	0.000	0.000	0.000
659	A	734	LEU	0	0.020	0.010	62.684	0.001	0.001	0.000	0.000	0.000	0.000
660	A	735	ILE	0	0.013	0.027	56.804	0.001	0.001	0.000	0.000	0.000	0.000
661	A	736	HIS	0	-0.082	-0.058	58.975	0.002	0.002	0.000	0.000	0.000	0.000
662	A	737	PHE	0	-0.020	-0.002	60.468	0.001	0.001	0.000	0.000	0.000	0.000
663	A	738	ARG	1	0.846	0.919	55.747	-0.052	-0.052	0.000	0.000	0.000	0.000
664	A	739	ARG	1	0.910	0.927	52.925	-0.051	-0.051	0.000	0.000	0.000	0.000
665	A	740	ALA	0	-0.040	-0.002	58.127	0.001	0.001	0.000	0.000	0.000	0.000
666	A	741	THR	0	-0.059	-0.042	60.592	-0.001	-0.001	0.000	0.000	0.000	0.000
667	A	742	PRO	0	0.021	-0.011	58.757	0.001	0.001	0.000	0.000	0.000	0.000
668	A	743	ALA	0	-0.007	0.008	59.110	0.002	0.002	0.000	0.000	0.000	0.000
669	A	744	LEU	0	-0.046	-0.026	59.646	0.001	0.001	0.000	0.000	0.000	0.000
670	A	745	GLN	0	-0.073	-0.020	54.877	0.003	0.003	0.000	0.000	0.000	0.000
671	A	746	ARG	1	0.882	0.952	55.818	-0.054	-0.054	0.000	0.000	0.000	0.000
672	A	747	THR	0	0.067	0.031	50.608	0.000	0.000	0.000	0.000	0.000	0.000
673	A	748	THR	0	0.004	-0.008	53.080	0.001	0.001	0.000	0.000	0.000	0.000
674	A	749	PHE	0	0.032	0.003	54.782	-0.002	-0.002	0.000	0.000	0.000	0.000
675	A	750	VAL	0	-0.040	-0.006	58.638	0.000	0.000	0.000	0.000	0.000	0.000
676	A	751	ASN	0	0.034	0.016	62.136	-0.001	-0.001	0.000	0.000	0.000	0.000
677	A	752	ASP	-1	-0.863	-0.951	64.916	0.043	0.043	0.000	0.000	0.000	0.000
678	A	753	LYS	1	0.908	0.963	67.325	-0.042	-0.042	0.000	0.000	0.000	0.000
679	A	754	ASP	-1	-0.862	-0.920	63.557	0.049	0.049	0.000	0.000	0.000	0.000
680	A	755	ILE	0	-0.021	-0.017	65.829	-0.001	-0.001	0.000	0.000	0.000	0.000
681	A	756	GLN	0	-0.047	-0.029	68.017	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	757	TRP	0	0.036	0.011	66.100	-0.001	-0.001	0.000	0.000	0.000	0.000
683	A	758	HIS	0	-0.006	-0.012	72.532	-0.002	-0.002	0.000	0.000	0.000	0.000
684	A	759	GLY	0	0.054	0.022	75.405	0.001	0.001	0.000	0.000	0.000	0.000
685	A	760	GLU	-1	-0.925	-0.965	78.091	0.026	0.026	0.000	0.000	0.000	0.000
686	A	761	LEU	0	0.026	0.027	81.265	-0.001	-0.001	0.000	0.000	0.000	0.000
687	A	762	PRO	0	0.020	-0.004	79.045	0.001	0.001	0.000	0.000	0.000	0.000
688	A	763	ASN	0	-0.040	-0.031	76.971	0.001	0.001	0.000	0.000	0.000	0.000
689	A	764	THR	0	-0.062	-0.019	78.058	0.000	0.000	0.000	0.000	0.000	0.000
690	A	765	PRO	0	-0.017	0.007	74.273	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	766	ASP	-1	-0.804	-0.877	75.908	0.031	0.031	0.000	0.000	0.000	0.000
692	A	767	TRP	0	-0.033	-0.016	70.321	0.001	0.001	0.000	0.000	0.000	0.000
693	A	768	THR	0	-0.060	-0.055	73.754	0.000	0.000	0.000	0.000	0.000	0.000
694	A	769	ASP	-1	-0.877	-0.942	74.246	0.034	0.034	0.000	0.000	0.000	0.000
695	A	770	THR	0	-0.006	0.003	75.171	0.000	0.000	0.000	0.000	0.000	0.000
696	A	771	SER	0	-0.079	-0.032	74.276	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	772	ARG	1	0.809	0.888	74.734	-0.030	-0.030	0.000	0.000	0.000	0.000
698	A	773	LEU	0	-0.058	-0.027	74.618	-0.001	-0.001	0.000	0.000	0.000	0.000
699	A	774	VAL	0	0.034	0.048	68.855	0.000	0.000	0.000	0.000	0.000	0.000
700	A	775	ALA	0	0.023	0.005	71.982	0.000	0.000	0.000	0.000	0.000	0.000
701	A	776	PHE	0	-0.004	-0.010	66.237	0.000	0.000	0.000	0.000	0.000	0.000
702	A	777	THR	0	-0.024	-0.011	71.260	-0.001	-0.001	0.000	0.000	0.000	0.000
703	A	778	LEU	0	-0.008	0.001	63.675	0.001	0.001	0.000	0.000	0.000	0.000
704	A	779	HIS	0	-0.016	-0.001	67.701	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	780	ASP	-1	-0.791	-0.899	65.529	0.041	0.041	0.000	0.000	0.000	0.000
706	A	781	GLY	0	-0.021	-0.005	65.491	0.001	0.001	0.000	0.000	0.000	0.000
707	A	782	LYS	1	0.885	0.922	65.540	-0.041	-0.041	0.000	0.000	0.000	0.000
708	A	783	GLY	0	-0.041	-0.011	68.946	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	784	GLY	0	-0.032	-0.009	70.606	-0.001	-0.001	0.000	0.000	0.000	0.000
710	A	785	GLY	0	0.060	0.016	68.924	0.001	0.001	0.000	0.000	0.000	0.000
711	A	786	LEU	0	-0.055	-0.030	66.172	-0.001	-0.001	0.000	0.000	0.000	0.000
712	A	787	TYR	0	0.044	0.018	70.410	0.001	0.001	0.000	0.000	0.000	0.000
713	A	788	VAL	0	0.016	0.024	67.701	-0.001	-0.001	0.000	0.000	0.000	0.000
714	A	789	ALA	0	-0.013	-0.012	71.040	0.000	0.000	0.000	0.000	0.000	0.000
715	A	790	PHE	0	0.009	0.003	66.456	0.000	0.000	0.000	0.000	0.000	0.000
716	A	791	ASN	0	0.008	-0.008	72.118	0.000	0.000	0.000	0.000	0.000	0.000
717	A	792	THR	0	0.011	0.000	71.119	-0.001	-0.001	0.000	0.000	0.000	0.000
718	A	793	SER	0	-0.001	0.013	74.315	0.000	0.000	0.000	0.000	0.000	0.000
719	A	794	HIS	0	0.070	0.026	77.902	0.000	0.000	0.000	0.000	0.000	0.000
720	A	795	LEU	0	-0.055	-0.034	79.999	-0.001	-0.001	0.000	0.000	0.000	0.000
721	A	796	PRO	0	-0.020	-0.009	81.032	0.001	0.001	0.000	0.000	0.000	0.000
722	A	797	LYS	1	0.907	0.949	78.782	-0.028	-0.028	0.000	0.000	0.000	0.000
723	A	798	LEU	0	-0.010	-0.004	82.788	0.000	0.000	0.000	0.000	0.000	0.000
724	A	799	LEU	0	-0.029	-0.007	77.530	0.000	0.000	0.000	0.000	0.000	0.000
725	A	800	GLN	0	0.053	0.025	81.745	-0.001	-0.001	0.000	0.000	0.000	0.000
726	A	801	LEU	0	-0.054	-0.022	77.990	0.001	0.001	0.000	0.000	0.000	0.000
727	A	802	PRO	0	0.036	0.017	76.578	-0.001	-0.001	0.000	0.000	0.000	0.000
728	A	803	LYS	1	0.895	0.971	79.614	-0.027	-0.027	0.000	0.000	0.000	0.000
729	A	804	TRP	0	0.004	-0.004	71.882	0.000	0.000	0.000	0.000	0.000	0.000
730	A	805	GLY	0	0.015	-0.011	79.480	0.000	0.000	0.000	0.000	0.000	0.000
731	A	806	GLY	0	0.033	0.016	80.530	0.001	0.001	0.000	0.000	0.000	0.000
732	A	807	ARG	1	0.845	0.911	73.975	-0.033	-0.033	0.000	0.000	0.000	0.000
733	A	808	VAL	0	0.016	0.002	79.354	-0.001	-0.001	0.000	0.000	0.000	0.000
734	A	809	TRP	0	-0.032	-0.003	73.273	0.001	0.001	0.000	0.000	0.000	0.000
735	A	810	GLN	0	-0.001	-0.017	75.878	-0.001	-0.001	0.000	0.000	0.000	0.000
736	A	811	PRO	0	0.020	0.016	75.393	0.001	0.001	0.000	0.000	0.000	0.000
737	A	812	LEU	0	-0.018	0.002	68.375	0.000	0.000	0.000	0.000	0.000	0.000
738	A	813	VAL	0	0.018	0.029	68.435	0.000	0.000	0.000	0.000	0.000	0.000
739	A	814	ASP	-1	-0.768	-0.871	71.842	0.027	0.027	0.000	0.000	0.000	0.000
740	A	815	THR	0	-0.011	-0.024	70.249	-0.001	-0.001	0.000	0.000	0.000	0.000
741	A	816	SER	0	-0.056	-0.046	73.330	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	817	LYS	1	0.830	0.936	76.133	-0.026	-0.026	0.000	0.000	0.000	0.000
743	A	818	VAL	0	0.024	0.015	75.374	0.001	0.001	0.000	0.000	0.000	0.000
744	A	819	ALA	0	0.022	0.047	72.307	0.000	0.000	0.000	0.000	0.000	0.000
745	A	820	PRO	0	-0.004	-0.014	72.863	-0.001	-0.001	0.000	0.000	0.000	0.000
746	A	821	TYR	0	-0.018	-0.040	73.621	0.001	0.001	0.000	0.000	0.000	0.000
747	A	822	ASP	-1	-0.805	-0.887	70.907	0.029	0.029	0.000	0.000	0.000	0.000
748	A	823	PHE	0	0.034	-0.006	66.302	0.001	0.001	0.000	0.000	0.000	0.000
749	A	824	LEU	0	-0.042	-0.022	71.231	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	825	ALA	0	0.005	0.000	68.385	0.001	0.001	0.000	0.000	0.000	0.000
751	A	826	VAL	0	-0.034	-0.022	69.996	-0.001	-0.001	0.000	0.000	0.000	0.000
752	A	827	ASP	-1	-0.791	-0.906	67.264	0.029	0.029	0.000	0.000	0.000	0.000
753	A	828	GLY	0	-0.035	-0.010	68.153	-0.001	-0.001	0.000	0.000	0.000	0.000
754	A	829	VAL	0	-0.049	-0.014	69.709	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	830	LEU	0	-0.036	0.002	72.066	-0.001	-0.001	0.000	0.000	0.000	0.000
756	A	831	SER	0	0.030	0.000	72.743	0.001	0.001	0.000	0.000	0.000	0.000
757	A	832	ALA	0	0.046	-0.009	74.073	0.000	0.000	0.000	0.000	0.000	0.000
758	A	833	GLU	-1	-0.949	-0.987	75.401	0.023	0.023	0.000	0.000	0.000	0.000
759	A	834	ASP	-1	-0.803	-0.883	76.918	0.022	0.022	0.000	0.000	0.000	0.000
760	A	835	VAL	0	0.021	0.015	73.394	0.000	0.000	0.000	0.000	0.000	0.000
761	A	836	ALA	0	-0.026	-0.012	76.826	0.000	0.000	0.000	0.000	0.000	0.000
762	A	837	ALA	0	-0.033	-0.029	79.373	0.000	0.000	0.000	0.000	0.000	0.000
763	A	838	ALA	0	0.000	-0.002	78.555	0.000	0.000	0.000	0.000	0.000	0.000
764	A	839	ARG	1	0.925	0.965	73.336	-0.029	-0.029	0.000	0.000	0.000	0.000
765	A	840	ARG	1	0.828	0.910	80.273	-0.022	-0.022	0.000	0.000	0.000	0.000
766	A	841	GLN	0	-0.024	0.003	83.435	0.000	0.000	0.000	0.000	0.000	0.000
767	A	842	MET	0	0.007	-0.002	81.402	0.000	0.000	0.000	0.000	0.000	0.000
768	A	843	ALA	0	0.006	0.004	84.175	0.000	0.000	0.000	0.000	0.000	0.000
769	A	844	MET	0	-0.001	-0.010	85.271	0.000	0.000	0.000	0.000	0.000	0.000
770	A	845	TRP	0	0.012	0.018	84.725	0.000	0.000	0.000	0.000	0.000	0.000
771	A	846	THR	0	0.016	-0.006	80.696	0.000	0.000	0.000	0.000	0.000	0.000
772	A	847	ALA	0	-0.035	-0.004	83.304	0.001	0.001	0.000	0.000	0.000	0.000
773	A	848	ASP	-1	-0.900	-0.943	85.796	0.022	0.022	0.000	0.000	0.000	0.000
774	A	849	HIS	0	-0.132	-0.070	81.043	0.000	0.000	0.000	0.000	0.000	0.000
775	A	850	THR	0	0.016	0.017	83.886	0.000	0.000	0.000	0.000	0.000	0.000
776	A	851	TYR	0	-0.068	-0.072	78.251	0.000	0.000	0.000	0.000	0.000	0.000
777	A	852	PRO	0	-0.020	0.022	81.937	0.000	0.000	0.000	0.000	0.000	0.000
778	A	853	VAL	0	-0.002	-0.004	77.467	0.000	0.000	0.000	0.000	0.000	0.000
779	A	854	LEU	0	0.020	0.013	78.529	-0.001	-0.001	0.000	0.000	0.000	0.000
780	A	855	PRO	0	0.004	0.038	78.294	0.001	0.001	0.000	0.000	0.000	0.000
781	A	856	TRP	0	0.049	0.028	73.597	-0.001	-0.001	0.000	0.000	0.000	0.000
782	A	857	SER	0	-0.062	-0.037	73.937	0.000	0.000	0.000	0.000	0.000	0.000
783	A	858	CYS	0	0.021	0.016	69.767	0.001	0.001	0.000	0.000	0.000	0.000
784	A	859	ILE	0	-0.003	0.006	72.422	-0.001	-0.001	0.000	0.000	0.000	0.000
785	A	860	VAL	0	0.018	-0.001	68.191	0.001	0.001	0.000	0.000	0.000	0.000
786	A	861	LEU	0	-0.026	-0.010	71.466	-0.001	-0.001	0.000	0.000	0.000	0.000
787	A	862	GLN	0	0.050	0.007	69.187	0.000	0.000	0.000	0.000	0.000	0.000
788	A	863	SER	0	0.000	0.042	72.927	-0.001	-0.001	0.000	0.000	0.000	0.000
789	A	864	ALA	0	-0.001	-0.006	74.184	0.001	0.001	0.000	0.000	0.000	0.000
790	A	865	PRO	0	0.000	-0.009	76.057	0.000	0.000	0.000	0.000	0.000	0.000
791	A	866	GLU	-1	-0.956	-0.982	79.186	0.025	0.025	0.000	0.000	0.000	0.000
792	A	867	ASP	-1	-0.868	-0.940	82.821	0.024	0.024	0.000	0.000	0.000	0.000
793	A	868	PRO	0	0.005	-0.006	84.719	0.000	0.000	0.000	0.000	0.000	0.000
794	A	869	ALA	0	0.025	0.020	87.105	-0.001	-0.001	0.000	0.000	0.000	0.000
795	A	870	ALA	0	0.003	0.025	84.756	-0.001	-0.001	0.000	0.000	0.000	0.000
796	A	871	THR	0	0.027	0.025	86.563	0.000	0.000	0.000	0.000	0.000	0.000
797	A	872	SER	0	-0.068	-0.038	89.733	-0.001	-0.001	0.000	0.000	0.000	0.000
798	A	873	MET	0	0.029	0.000	90.022	0.000	0.000	0.000	0.000	0.000	0.000
799	A	874	ILE	0	-0.006	-0.004	85.243	0.000	0.000	0.000	0.000	0.000	0.000
800	A	875	LYS	1	0.939	0.987	82.136	-0.022	-0.022	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:76:LEU)