FMO DATABASE

FMODB ID: 166MZ

Calculation Name: 5OQQ-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5OQQ

Chain ID: A

ChEMBL ID:

UniProt ID: P38170

Base Structure: X-ray

Registration Date: 2023-09-27

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	807
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-19286125.567894
FMO2-HF: Nuclear repulsion	18962310.158292
FMO2-HF: Total energy	-323815.409602
FMO2-MP2: Total energy	-324761.52427

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:8:ASP)

Summations of interaction energy for fragment #1(A:8:ASP)

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.
-136.178	-143.103	34.209	-16.673	-10.61	0.115

Interaction energy analysis for fragmet #1(A:8:ASP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -1 / q_Mulliken : -0.816 / q_NPA : -0.892

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	10	ASN	0	0.033	0.018	2.582	-22.864	-17.174	1.764	-3.606	-3.848	0.034
4	A	11	THR	0	0.037	-0.026	1.516	-42.452	-55.707	32.434	-12.784	-6.395	0.079
5	A	12	LYS	1	0.965	0.997	3.885	-48.131	-47.491	0.011	-0.283	-0.367	0.002
6	A	13	ILE	0	-0.015	-0.003	5.917	-7.635	-7.635	0.000	0.000	0.000	0.000
7	A	14	PHE	0	0.028	0.022	7.199	-5.711	-5.711	0.000	0.000	0.000	0.000
8	A	15	ASN	0	0.013	-0.008	7.885	-3.810	-3.810	0.000	0.000	0.000	0.000
9	A	16	SER	0	-0.037	-0.011	9.758	-3.592	-3.592	0.000	0.000	0.000	0.000
10	A	17	VAL	0	0.008	0.000	11.672	-2.512	-2.512	0.000	0.000	0.000	0.000
11	A	18	ALA	0	0.027	0.003	12.564	-2.116	-2.116	0.000	0.000	0.000	0.000
12	A	19	GLU	-1	-0.948	-0.966	13.831	18.383	18.383	0.000	0.000	0.000	0.000
13	A	20	VAL	0	-0.019	-0.013	15.724	-1.581	-1.581	0.000	0.000	0.000	0.000
14	A	21	PHE	0	0.030	0.005	17.484	-1.185	-1.185	0.000	0.000	0.000	0.000
15	A	22	GLN	0	-0.038	-0.011	17.780	-1.831	-1.831	0.000	0.000	0.000	0.000
16	A	23	LYS	1	0.950	0.963	18.986	-16.520	-16.520	0.000	0.000	0.000	0.000
17	A	24	ALA	0	-0.020	0.000	21.740	-0.788	-0.788	0.000	0.000	0.000	0.000
18	A	25	GLN	0	0.048	0.036	22.087	-1.029	-1.029	0.000	0.000	0.000	0.000
19	A	26	GLY	0	-0.001	0.026	25.063	-0.569	-0.569	0.000	0.000	0.000	0.000
20	A	27	SER	0	-0.008	-0.023	27.206	-0.586	-0.586	0.000	0.000	0.000	0.000
21	A	28	TYR	0	0.043	0.019	27.747	0.395	0.395	0.000	0.000	0.000	0.000
22	A	29	ALA	0	-0.011	0.007	29.532	0.024	0.024	0.000	0.000	0.000	0.000
23	A	30	GLY	0	0.033	0.013	26.439	-0.108	-0.108	0.000	0.000	0.000	0.000
24	A	31	HIS	0	0.006	-0.012	25.447	0.397	0.397	0.000	0.000	0.000	0.000
25	A	32	ARG	1	0.988	0.993	25.637	-9.996	-9.996	0.000	0.000	0.000	0.000
26	A	33	LYS	1	0.969	0.994	21.612	-13.948	-13.948	0.000	0.000	0.000	0.000
27	A	34	HIS	0	0.033	0.001	21.601	0.876	0.876	0.000	0.000	0.000	0.000
28	A	35	ILE	0	0.031	0.023	21.015	0.773	0.773	0.000	0.000	0.000	0.000
29	A	36	ALA	0	-0.041	-0.008	22.044	0.420	0.420	0.000	0.000	0.000	0.000
30	A	37	VAL	0	0.004	-0.012	17.922	0.266	0.266	0.000	0.000	0.000	0.000
31	A	38	LEU	0	0.042	0.035	16.782	1.059	1.059	0.000	0.000	0.000	0.000
32	A	39	LYS	1	0.946	0.973	17.751	-12.126	-12.126	0.000	0.000	0.000	0.000
33	A	40	LYS	1	0.853	0.943	17.510	-14.714	-14.714	0.000	0.000	0.000	0.000
34	A	41	ILE	0	-0.020	-0.014	12.181	0.861	0.861	0.000	0.000	0.000	0.000
35	A	42	GLN	0	0.037	0.023	13.816	1.032	1.032	0.000	0.000	0.000	0.000
36	A	43	SER	0	0.013	-0.005	15.396	0.264	0.264	0.000	0.000	0.000	0.000
37	A	44	LYS	1	0.973	0.997	7.849	-32.652	-32.652	0.000	0.000	0.000	0.000
38	A	45	ALA	0	-0.082	-0.045	10.983	1.318	1.318	0.000	0.000	0.000	0.000
39	A	46	VAL	0	0.029	0.008	11.787	1.321	1.321	0.000	0.000	0.000	0.000
40	A	47	GLU	-1	-0.936	-0.941	13.965	19.127	19.127	0.000	0.000	0.000	0.000
41	A	48	GLN	0	-0.076	-0.048	8.121	1.660	1.660	0.000	0.000	0.000	0.000
42	A	49	GLY	0	0.035	0.021	10.102	1.816	1.816	0.000	0.000	0.000	0.000
43	A	50	TYR	0	-0.073	-0.047	5.551	4.664	4.664	0.000	0.000	0.000	0.000
44	A	51	GLU	-1	-0.768	-0.873	10.522	18.371	18.371	0.000	0.000	0.000	0.000
45	A	52	ASP	-1	-0.846	-0.931	12.410	20.458	20.458	0.000	0.000	0.000	0.000
46	A	53	ALA	0	-0.057	-0.024	7.932	0.518	0.518	0.000	0.000	0.000	0.000
47	A	54	PHE	0	-0.039	-0.026	9.922	0.201	0.201	0.000	0.000	0.000	0.000
48	A	55	ASN	0	0.068	0.030	12.354	-0.560	-0.560	0.000	0.000	0.000	0.000
49	A	56	PHE	0	0.017	0.027	10.698	-1.076	-1.076	0.000	0.000	0.000	0.000
50	A	57	TRP	0	-0.037	-0.044	7.252	-3.873	-3.873	0.000	0.000	0.000	0.000
51	A	58	PHE	0	0.008	-0.001	12.795	-1.255	-1.255	0.000	0.000	0.000	0.000
52	A	59	ASP	-1	-0.742	-0.873	16.103	16.291	16.291	0.000	0.000	0.000	0.000
53	A	60	LYS	1	0.902	0.956	13.495	-22.448	-22.448	0.000	0.000	0.000	0.000
54	A	61	LEU	0	-0.053	-0.001	14.083	-1.018	-1.018	0.000	0.000	0.000	0.000
55	A	62	VAL	0	0.038	0.028	17.610	-0.964	-0.964	0.000	0.000	0.000	0.000
56	A	63	THR	0	-0.092	-0.081	19.317	-0.787	-0.787	0.000	0.000	0.000	0.000
57	A	64	LYS	1	0.922	0.961	16.598	-18.875	-18.875	0.000	0.000	0.000	0.000
58	A	65	ILE	0	0.023	0.005	21.932	-0.520	-0.520	0.000	0.000	0.000	0.000
59	A	66	LEU	0	-0.015	0.014	24.311	-0.586	-0.586	0.000	0.000	0.000	0.000
60	A	67	PRO	0	0.020	-0.003	25.786	-0.508	-0.508	0.000	0.000	0.000	0.000
61	A	68	LEU	0	-0.007	0.017	26.377	-0.361	-0.361	0.000	0.000	0.000	0.000
62	A	69	LYS	1	0.981	1.006	29.990	-8.685	-8.685	0.000	0.000	0.000	0.000
63	A	70	LYS	1	0.925	0.954	33.435	-8.281	-8.281	0.000	0.000	0.000	0.000
64	A	71	ASN	0	0.001	-0.007	35.007	-0.061	-0.061	0.000	0.000	0.000	0.000
65	A	72	GLU	-1	-0.890	-0.934	29.678	10.789	10.789	0.000	0.000	0.000	0.000
66	A	73	ILE	0	0.051	0.013	31.349	0.217	0.217	0.000	0.000	0.000	0.000
67	A	74	ILE	0	0.029	0.015	26.084	0.139	0.139	0.000	0.000	0.000	0.000
68	A	75	GLY	0	0.052	0.019	27.203	0.447	0.447	0.000	0.000	0.000	0.000
69	A	76	ASP	-1	-0.856	-0.916	28.247	10.037	10.037	0.000	0.000	0.000	0.000
70	A	77	ARG	1	0.808	0.890	27.597	-10.759	-10.759	0.000	0.000	0.000	0.000
71	A	78	ILE	0	0.017	0.012	22.255	0.229	0.229	0.000	0.000	0.000	0.000
72	A	79	VAL	0	0.026	0.023	25.310	0.307	0.307	0.000	0.000	0.000	0.000
73	A	80	LYS	1	0.936	0.969	27.650	-9.695	-9.695	0.000	0.000	0.000	0.000
74	A	81	LEU	0	-0.038	-0.001	21.198	-0.050	-0.050	0.000	0.000	0.000	0.000
75	A	82	VAL	0	0.022	0.001	22.572	0.231	0.231	0.000	0.000	0.000	0.000
76	A	83	ALA	0	0.052	0.030	24.658	0.072	0.072	0.000	0.000	0.000	0.000
77	A	84	ALA	0	-0.048	-0.025	26.947	-0.156	-0.156	0.000	0.000	0.000	0.000
78	A	85	PHE	0	-0.048	-0.035	19.721	-0.090	-0.090	0.000	0.000	0.000	0.000
79	A	86	ILE	0	0.061	0.031	24.700	0.113	0.113	0.000	0.000	0.000	0.000
80	A	87	ALA	0	0.058	0.031	26.268	-0.224	-0.224	0.000	0.000	0.000	0.000
81	A	88	SER	0	-0.127	-0.052	25.953	-0.123	-0.123	0.000	0.000	0.000	0.000
82	A	89	LEU	0	-0.006	-0.014	22.045	-0.174	-0.174	0.000	0.000	0.000	0.000
83	A	90	GLU	-1	-0.779	-0.881	26.356	9.829	9.829	0.000	0.000	0.000	0.000
84	A	91	ARG	1	0.919	0.957	29.606	-10.168	-10.168	0.000	0.000	0.000	0.000
85	A	92	GLU	-1	-0.955	-0.989	27.253	10.846	10.846	0.000	0.000	0.000	0.000
86	A	93	LEU	0	0.036	0.031	27.388	-0.188	-0.188	0.000	0.000	0.000	0.000
87	A	94	ILE	0	-0.057	-0.028	31.000	-0.450	-0.450	0.000	0.000	0.000	0.000
88	A	95	LEU	0	-0.026	-0.020	33.369	-0.392	-0.392	0.000	0.000	0.000	0.000
89	A	96	ALA	0	0.060	0.050	31.981	-0.288	-0.288	0.000	0.000	0.000	0.000
90	A	97	LYS	1	0.981	0.997	34.093	-9.092	-9.092	0.000	0.000	0.000	0.000
91	A	98	LYS	1	0.868	0.921	36.530	-8.368	-8.368	0.000	0.000	0.000	0.000
92	A	99	GLN	0	-0.050	-0.032	37.101	-0.324	-0.324	0.000	0.000	0.000	0.000
93	A	100	ASN	0	-0.076	-0.016	37.928	0.064	0.064	0.000	0.000	0.000	0.000
94	A	101	TYR	0	0.030	0.020	31.684	-0.220	-0.220	0.000	0.000	0.000	0.000
95	A	102	LYS	1	0.926	0.955	32.180	-8.690	-8.690	0.000	0.000	0.000	0.000
96	A	103	LEU	0	0.013	0.014	27.549	0.016	0.016	0.000	0.000	0.000	0.000
97	A	104	THR	0	-0.029	-0.023	25.850	-0.221	-0.221	0.000	0.000	0.000	0.000
98	A	105	ASN	0	-0.046	-0.019	21.262	-0.196	-0.196	0.000	0.000	0.000	0.000
99	A	106	ASP	-1	-0.838	-0.924	21.890	14.284	14.284	0.000	0.000	0.000	0.000
100	A	107	GLU	-1	-0.831	-0.928	23.419	13.055	13.055	0.000	0.000	0.000	0.000
101	A	108	GLU	-1	-0.897	-0.954	24.544	10.832	10.832	0.000	0.000	0.000	0.000
102	A	109	GLY	0	0.032	0.025	24.457	0.011	0.011	0.000	0.000	0.000	0.000
103	A	110	ILE	0	-0.025	-0.020	19.143	0.443	0.443	0.000	0.000	0.000	0.000
104	A	111	PHE	0	-0.059	-0.019	21.785	0.452	0.452	0.000	0.000	0.000	0.000
105	A	112	SER	0	0.023	0.003	24.181	0.146	0.146	0.000	0.000	0.000	0.000
106	A	113	ARG	1	0.844	0.906	19.633	-15.201	-15.201	0.000	0.000	0.000	0.000
107	A	114	PHE	0	-0.049	-0.028	18.562	0.305	0.305	0.000	0.000	0.000	0.000
108	A	115	VAL	0	0.031	0.013	21.300	0.063	0.063	0.000	0.000	0.000	0.000
109	A	116	ASP	-1	-0.830	-0.906	24.651	12.021	12.021	0.000	0.000	0.000	0.000
110	A	117	GLN	0	-0.025	-0.038	18.101	-0.344	-0.344	0.000	0.000	0.000	0.000
111	A	118	PHE	0	-0.009	-0.005	20.885	-0.060	-0.060	0.000	0.000	0.000	0.000
112	A	119	ILE	0	0.001	-0.009	22.540	-0.213	-0.213	0.000	0.000	0.000	0.000
113	A	120	ARG	1	0.868	0.933	24.064	-11.944	-11.944	0.000	0.000	0.000	0.000
114	A	121	HIS	0	-0.050	-0.014	19.509	-0.076	-0.076	0.000	0.000	0.000	0.000
115	A	122	VAL	0	-0.031	-0.023	22.926	-0.180	-0.180	0.000	0.000	0.000	0.000
116	A	123	LEU	0	0.012	-0.008	25.464	-0.409	-0.409	0.000	0.000	0.000	0.000
117	A	124	ARG	1	0.909	0.969	20.802	-14.717	-14.717	0.000	0.000	0.000	0.000
118	A	125	GLY	0	-0.020	-0.003	26.875	-0.137	-0.137	0.000	0.000	0.000	0.000
119	A	126	VAL	0	0.024	0.004	28.693	-0.282	-0.282	0.000	0.000	0.000	0.000
120	A	127	GLU	-1	-0.860	-0.920	31.798	8.681	8.681	0.000	0.000	0.000	0.000
121	A	128	SER	0	-0.038	0.000	30.172	-0.146	-0.146	0.000	0.000	0.000	0.000
122	A	129	PRO	0	0.065	0.026	31.683	-0.290	-0.290	0.000	0.000	0.000	0.000
123	A	130	ASP	-1	-0.859	-0.930	31.639	9.815	9.815	0.000	0.000	0.000	0.000
124	A	131	LYS	1	0.988	0.976	33.412	-8.253	-8.253	0.000	0.000	0.000	0.000
125	A	132	ASN	0	-0.038	-0.027	32.334	-0.312	-0.312	0.000	0.000	0.000	0.000
126	A	133	VAL	0	0.031	0.024	28.772	0.128	0.128	0.000	0.000	0.000	0.000
127	A	134	ARG	1	0.776	0.892	30.669	-8.812	-8.812	0.000	0.000	0.000	0.000
128	A	135	PHE	0	-0.030	-0.013	33.223	-0.177	-0.177	0.000	0.000	0.000	0.000
129	A	136	ARG	1	0.785	0.868	29.059	-10.483	-10.483	0.000	0.000	0.000	0.000
130	A	137	VAL	0	-0.019	0.002	28.088	0.169	0.169	0.000	0.000	0.000	0.000
131	A	138	LEU	0	0.036	0.013	30.117	0.062	0.062	0.000	0.000	0.000	0.000
132	A	139	GLN	0	-0.006	0.010	31.759	0.128	0.128	0.000	0.000	0.000	0.000
133	A	140	LEU	0	-0.034	-0.030	25.936	0.028	0.028	0.000	0.000	0.000	0.000
134	A	141	LEU	0	0.030	0.014	29.440	0.007	0.007	0.000	0.000	0.000	0.000
135	A	142	ALA	0	0.049	0.004	31.383	-0.094	-0.094	0.000	0.000	0.000	0.000
136	A	143	VAL	0	-0.134	-0.062	30.381	-0.170	-0.170	0.000	0.000	0.000	0.000
137	A	144	ILE	0	0.016	-0.004	27.614	0.166	0.166	0.000	0.000	0.000	0.000
138	A	145	MET	0	-0.025	0.006	31.038	0.069	0.069	0.000	0.000	0.000	0.000
139	A	146	ASP	-1	-0.879	-0.941	33.712	8.701	8.701	0.000	0.000	0.000	0.000
140	A	147	ASN	0	-0.101	-0.051	30.757	-0.038	-0.038	0.000	0.000	0.000	0.000
141	A	148	ILE	0	-0.008	-0.014	28.832	0.475	0.475	0.000	0.000	0.000	0.000
142	A	149	GLY	0	0.005	0.012	30.382	0.193	0.193	0.000	0.000	0.000	0.000
143	A	150	GLU	-1	-0.971	-0.978	32.506	8.840	8.840	0.000	0.000	0.000	0.000
144	A	151	ILE	0	-0.034	-0.019	29.902	0.380	0.380	0.000	0.000	0.000	0.000
145	A	152	ASP	-1	-0.837	-0.923	29.677	10.350	10.350	0.000	0.000	0.000	0.000
146	A	153	GLU	-1	-0.862	-0.951	32.685	8.253	8.253	0.000	0.000	0.000	0.000
147	A	154	SER	0	-0.068	-0.021	31.053	0.038	0.038	0.000	0.000	0.000	0.000
148	A	155	LEU	0	-0.001	0.006	27.956	-0.038	-0.038	0.000	0.000	0.000	0.000
149	A	156	PHE	0	0.032	0.023	31.503	-0.045	-0.045	0.000	0.000	0.000	0.000
150	A	157	ASN	0	0.035	-0.001	34.834	-0.292	-0.292	0.000	0.000	0.000	0.000
151	A	158	LEU	0	-0.049	-0.013	29.751	-0.116	-0.116	0.000	0.000	0.000	0.000
152	A	159	LEU	0	0.013	-0.004	31.991	-0.044	-0.044	0.000	0.000	0.000	0.000
153	A	160	ILE	0	0.041	0.034	34.334	-0.112	-0.112	0.000	0.000	0.000	0.000
154	A	161	LEU	0	0.001	0.012	36.949	-0.186	-0.186	0.000	0.000	0.000	0.000
155	A	162	SER	0	-0.020	-0.022	33.781	-0.037	-0.037	0.000	0.000	0.000	0.000
156	A	163	LEU	0	-0.022	-0.027	35.520	-0.091	-0.091	0.000	0.000	0.000	0.000
157	A	164	ASN	0	0.030	0.004	38.019	-0.109	-0.109	0.000	0.000	0.000	0.000
158	A	165	LYS	1	0.825	0.900	37.573	-8.664	-8.664	0.000	0.000	0.000	0.000
159	A	166	ARG	1	0.823	0.908	36.051	-8.675	-8.675	0.000	0.000	0.000	0.000
160	A	167	ILE	0	0.030	0.019	39.613	-0.020	-0.020	0.000	0.000	0.000	0.000
161	A	168	TYR	0	0.015	0.010	42.885	-0.202	-0.202	0.000	0.000	0.000	0.000
162	A	169	ASP	-1	-0.778	-0.851	38.854	8.441	8.441	0.000	0.000	0.000	0.000
163	A	170	ARG	1	1.000	0.992	41.684	-7.465	-7.465	0.000	0.000	0.000	0.000
164	A	171	GLU	-1	-0.951	-0.988	39.839	7.667	7.667	0.000	0.000	0.000	0.000
165	A	172	PRO	0	0.057	0.011	42.435	0.086	0.086	0.000	0.000	0.000	0.000
166	A	173	THR	0	-0.046	-0.024	39.023	0.010	0.010	0.000	0.000	0.000	0.000
167	A	174	VAL	0	0.003	-0.002	36.935	0.139	0.139	0.000	0.000	0.000	0.000
168	A	175	ARG	1	0.881	0.963	39.123	-7.027	-7.027	0.000	0.000	0.000	0.000
169	A	176	ILE	0	-0.009	0.005	41.604	-0.013	-0.013	0.000	0.000	0.000	0.000
170	A	177	GLN	0	-0.025	-0.009	35.605	0.112	0.112	0.000	0.000	0.000	0.000
171	A	178	ALA	0	0.044	0.008	38.283	0.139	0.139	0.000	0.000	0.000	0.000
172	A	179	VAL	0	-0.009	0.001	39.477	-0.015	-0.015	0.000	0.000	0.000	0.000
173	A	180	PHE	0	-0.043	-0.032	38.849	-0.032	-0.032	0.000	0.000	0.000	0.000
174	A	181	CYS	0	-0.047	0.009	35.856	0.144	0.144	0.000	0.000	0.000	0.000
175	A	182	LEU	0	0.040	0.022	38.077	0.012	0.012	0.000	0.000	0.000	0.000
176	A	183	THR	0	-0.070	-0.049	41.085	-0.101	-0.101	0.000	0.000	0.000	0.000
177	A	184	LYS	1	0.900	0.960	36.919	-8.726	-8.726	0.000	0.000	0.000	0.000
178	A	185	PHE	0	-0.024	-0.005	35.572	0.115	0.115	0.000	0.000	0.000	0.000
179	A	186	GLN	0	-0.041	-0.026	41.454	-0.307	-0.307	0.000	0.000	0.000	0.000
180	A	187	ASP	-1	-0.933	-0.954	44.801	6.838	6.838	0.000	0.000	0.000	0.000
181	A	205	GLU	-1	-0.881	-0.941	44.878	6.923	6.923	0.000	0.000	0.000	0.000
182	A	206	ALA	0	0.042	0.017	43.477	-0.056	-0.056	0.000	0.000	0.000	0.000
183	A	207	THR	0	0.049	0.010	45.451	0.031	0.031	0.000	0.000	0.000	0.000
184	A	208	ARG	1	0.990	0.992	48.615	-6.088	-6.088	0.000	0.000	0.000	0.000
185	A	209	THR	0	0.003	0.007	44.902	-0.061	-0.061	0.000	0.000	0.000	0.000
186	A	210	LEU	0	-0.030	-0.014	44.507	-0.011	-0.011	0.000	0.000	0.000	0.000
187	A	211	VAL	0	0.012	0.003	48.295	-0.064	-0.064	0.000	0.000	0.000	0.000
188	A	212	ALA	0	0.020	0.016	50.068	-0.103	-0.103	0.000	0.000	0.000	0.000
189	A	213	SER	0	0.004	-0.008	47.793	-0.022	-0.022	0.000	0.000	0.000	0.000
190	A	214	ILE	0	-0.072	-0.027	50.110	-0.016	-0.016	0.000	0.000	0.000	0.000
191	A	215	GLN	0	-0.061	-0.037	52.456	-0.045	-0.045	0.000	0.000	0.000	0.000
192	A	216	ASN	0	-0.020	-0.006	52.951	-0.150	-0.150	0.000	0.000	0.000	0.000
193	A	217	ASP	-1	-0.818	-0.893	47.954	6.845	6.845	0.000	0.000	0.000	0.000
194	A	218	PRO	0	0.065	0.025	50.162	-0.074	-0.074	0.000	0.000	0.000	0.000
195	A	219	SER	0	-0.083	-0.033	48.495	-0.017	-0.017	0.000	0.000	0.000	0.000
196	A	220	ALA	0	0.069	0.014	50.458	-0.009	-0.009	0.000	0.000	0.000	0.000
197	A	221	GLU	-1	-0.918	-0.972	47.049	6.618	6.618	0.000	0.000	0.000	0.000
198	A	222	VAL	0	-0.005	-0.004	45.830	0.120	0.120	0.000	0.000	0.000	0.000
199	A	223	ARG	1	0.836	0.941	47.514	-6.033	-6.033	0.000	0.000	0.000	0.000
200	A	224	ARG	1	0.882	0.952	49.459	-6.513	-6.513	0.000	0.000	0.000	0.000
201	A	225	ALA	0	-0.020	-0.006	44.936	0.014	0.014	0.000	0.000	0.000	0.000
202	A	226	ALA	0	0.041	0.027	47.050	0.062	0.062	0.000	0.000	0.000	0.000
203	A	227	MET	0	0.004	-0.003	48.207	-0.051	-0.051	0.000	0.000	0.000	0.000
204	A	228	LEU	0	-0.107	-0.057	48.350	-0.031	-0.031	0.000	0.000	0.000	0.000
205	A	229	ASN	0	-0.087	-0.065	44.650	0.128	0.128	0.000	0.000	0.000	0.000
206	A	230	LEU	0	-0.020	0.012	46.971	0.104	0.104	0.000	0.000	0.000	0.000
207	A	231	ILE	0	0.024	0.018	47.855	-0.084	-0.084	0.000	0.000	0.000	0.000
208	A	232	ASN	0	0.023	0.030	50.350	-0.189	-0.189	0.000	0.000	0.000	0.000
209	A	233	ASP	-1	-0.818	-0.903	53.735	5.864	5.864	0.000	0.000	0.000	0.000
210	A	234	ASN	0	0.049	0.025	55.550	-0.038	-0.038	0.000	0.000	0.000	0.000
211	A	235	ASN	0	-0.018	0.005	55.588	-0.154	-0.154	0.000	0.000	0.000	0.000
212	A	236	THR	0	-0.047	-0.077	52.479	-0.049	-0.049	0.000	0.000	0.000	0.000
213	A	237	ARG	1	0.856	0.921	55.808	-5.506	-5.506	0.000	0.000	0.000	0.000
214	A	238	PRO	0	0.025	0.004	57.979	-0.011	-0.011	0.000	0.000	0.000	0.000
215	A	239	TYR	0	0.031	0.010	55.965	-0.018	-0.018	0.000	0.000	0.000	0.000
216	A	240	ILE	0	-0.056	-0.024	53.294	0.028	0.028	0.000	0.000	0.000	0.000
217	A	241	LEU	0	0.000	-0.011	56.444	0.009	0.009	0.000	0.000	0.000	0.000
218	A	242	GLU	-1	-0.815	-0.890	59.281	5.426	5.426	0.000	0.000	0.000	0.000
219	A	243	ARG	1	0.801	0.898	55.367	-5.796	-5.796	0.000	0.000	0.000	0.000
220	A	244	ALA	0	0.010	0.006	58.786	0.036	0.036	0.000	0.000	0.000	0.000
221	A	245	ARG	1	0.938	0.966	61.614	-5.019	-5.019	0.000	0.000	0.000	0.000
222	A	246	ASP	-1	-0.796	-0.867	56.519	5.865	5.865	0.000	0.000	0.000	0.000
223	A	247	VAL	0	0.094	0.041	58.157	-0.041	-0.041	0.000	0.000	0.000	0.000
224	A	248	ASN	0	-0.032	-0.018	54.365	-0.068	-0.068	0.000	0.000	0.000	0.000
225	A	249	ILE	0	0.113	0.050	58.008	-0.014	-0.014	0.000	0.000	0.000	0.000
226	A	250	VAL	0	-0.061	-0.029	53.027	-0.004	-0.004	0.000	0.000	0.000	0.000
227	A	251	ASN	0	-0.032	-0.016	53.339	0.065	0.065	0.000	0.000	0.000	0.000
228	A	252	ARG	1	0.901	0.956	55.922	-5.257	-5.257	0.000	0.000	0.000	0.000
229	A	253	ARG	1	0.951	0.975	55.256	-5.789	-5.789	0.000	0.000	0.000	0.000
230	A	254	LEU	0	-0.062	-0.046	52.235	0.016	0.016	0.000	0.000	0.000	0.000
231	A	255	VAL	0	0.049	0.043	56.193	0.063	0.063	0.000	0.000	0.000	0.000
232	A	256	TYR	0	0.046	0.013	58.381	0.029	0.029	0.000	0.000	0.000	0.000
233	A	257	SER	0	-0.077	-0.032	56.108	0.054	0.054	0.000	0.000	0.000	0.000
234	A	258	ARG	1	0.903	0.931	49.189	-6.452	-6.452	0.000	0.000	0.000	0.000
235	A	259	ILE	0	0.009	0.022	53.320	0.024	0.024	0.000	0.000	0.000	0.000
236	A	260	LEU	0	0.069	0.017	56.150	0.013	0.013	0.000	0.000	0.000	0.000
237	A	261	LYS	1	0.937	0.982	55.605	-5.859	-5.859	0.000	0.000	0.000	0.000
238	A	262	SER	0	-0.128	-0.075	53.801	0.064	0.064	0.000	0.000	0.000	0.000
239	A	263	MET	0	-0.066	-0.026	55.859	-0.007	-0.007	0.000	0.000	0.000	0.000
240	A	264	GLY	0	0.027	0.020	58.399	-0.017	-0.017	0.000	0.000	0.000	0.000
241	A	265	ARG	1	1.014	1.004	60.854	-5.003	-5.003	0.000	0.000	0.000	0.000
242	A	266	LYS	1	0.981	0.984	57.046	-5.741	-5.741	0.000	0.000	0.000	0.000
243	A	267	CYS	0	-0.100	-0.035	62.281	0.025	0.025	0.000	0.000	0.000	0.000
244	A	268	PHE	0	0.036	0.003	64.018	-0.048	-0.048	0.000	0.000	0.000	0.000
245	A	269	ASP	-1	-0.915	-0.928	65.125	4.859	4.859	0.000	0.000	0.000	0.000
246	A	270	ASP	-1	-0.954	-0.970	61.444	5.294	5.294	0.000	0.000	0.000	0.000
247	A	271	ILE	0	-0.081	-0.049	62.738	0.112	0.112	0.000	0.000	0.000	0.000
248	A	272	GLU	-1	-0.854	-0.910	64.880	4.758	4.758	0.000	0.000	0.000	0.000
249	A	273	PRO	0	0.075	0.017	67.761	0.019	0.019	0.000	0.000	0.000	0.000
250	A	274	HIS	0	-0.016	-0.016	68.774	-0.021	-0.021	0.000	0.000	0.000	0.000
251	A	275	ILE	0	0.006	-0.006	64.164	0.010	0.010	0.000	0.000	0.000	0.000
252	A	276	PHE	0	-0.028	-0.018	66.715	0.057	0.057	0.000	0.000	0.000	0.000
253	A	277	ASP	-1	-0.727	-0.805	68.289	4.487	4.487	0.000	0.000	0.000	0.000
254	A	278	GLN	0	0.012	0.011	68.645	-0.041	-0.041	0.000	0.000	0.000	0.000
255	A	279	LEU	0	-0.048	-0.022	63.477	0.063	0.063	0.000	0.000	0.000	0.000
256	A	280	ILE	0	0.015	0.006	67.051	0.050	0.050	0.000	0.000	0.000	0.000
257	A	281	GLU	-1	-0.860	-0.925	69.052	4.441	4.441	0.000	0.000	0.000	0.000
258	A	282	TRP	0	0.001	-0.005	65.424	0.060	0.060	0.000	0.000	0.000	0.000
259	A	283	GLY	0	-0.029	-0.019	66.219	0.022	0.022	0.000	0.000	0.000	0.000
260	A	284	LEU	0	-0.041	-0.046	66.958	0.018	0.018	0.000	0.000	0.000	0.000
261	A	285	GLU	-1	-0.935	-0.970	70.178	4.386	4.386	0.000	0.000	0.000	0.000
262	A	286	ASP	-1	-0.835	-0.887	65.556	5.071	5.071	0.000	0.000	0.000	0.000
263	A	287	ARG	1	1.015	0.993	67.971	-4.615	-4.615	0.000	0.000	0.000	0.000
264	A	288	GLU	-1	-0.937	-0.970	63.424	5.105	5.105	0.000	0.000	0.000	0.000
265	A	289	LEU	0	0.012	0.009	65.760	-0.008	-0.008	0.000	0.000	0.000	0.000
266	A	290	SER	0	-0.045	-0.035	60.522	0.049	0.049	0.000	0.000	0.000	0.000
267	A	291	VAL	0	-0.019	-0.007	61.476	0.065	0.065	0.000	0.000	0.000	0.000
268	A	292	ARG	1	0.942	0.985	63.298	-4.739	-4.739	0.000	0.000	0.000	0.000
269	A	293	ASN	0	-0.031	-0.021	64.242	-0.082	-0.082	0.000	0.000	0.000	0.000
270	A	294	ALA	0	-0.046	-0.014	60.831	0.022	0.022	0.000	0.000	0.000	0.000
271	A	295	CYS	0	0.024	0.019	62.566	0.020	0.020	0.000	0.000	0.000	0.000
272	A	296	LYS	1	0.977	0.998	65.011	-4.730	-4.730	0.000	0.000	0.000	0.000
273	A	297	ARG	1	0.920	0.968	59.720	-5.390	-5.390	0.000	0.000	0.000	0.000
274	A	298	LEU	0	-0.001	0.008	61.473	0.017	0.017	0.000	0.000	0.000	0.000
275	A	299	ILE	0	0.034	0.019	63.898	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	300	ALA	0	0.023	0.013	67.563	-0.025	-0.025	0.000	0.000	0.000	0.000
277	A	301	HIS	0	-0.128	-0.085	60.878	-0.013	-0.013	0.000	0.000	0.000	0.000
278	A	302	ASP	-1	-0.889	-0.949	61.020	5.453	5.453	0.000	0.000	0.000	0.000
279	A	303	TRP	0	0.037	0.004	63.167	-0.002	-0.002	0.000	0.000	0.000	0.000
280	A	304	LEU	0	0.048	0.034	65.595	0.003	0.003	0.000	0.000	0.000	0.000
281	A	305	ASN	0	-0.028	-0.025	63.201	-0.095	-0.095	0.000	0.000	0.000	0.000
282	A	306	ALA	0	-0.081	-0.028	63.131	0.019	0.019	0.000	0.000	0.000	0.000
283	A	307	LEU	0	-0.066	-0.036	64.567	0.029	0.029	0.000	0.000	0.000	0.000
284	A	308	ASP	-1	-0.904	-0.941	67.164	4.864	4.864	0.000	0.000	0.000	0.000
285	A	309	GLY	0	-0.095	-0.047	68.779	-0.067	-0.067	0.000	0.000	0.000	0.000
286	A	310	ASP	-1	-0.846	-0.922	71.140	4.311	4.311	0.000	0.000	0.000	0.000
287	A	311	LEU	0	-0.020	-0.024	73.185	0.031	0.031	0.000	0.000	0.000	0.000
288	A	312	ILE	0	0.026	0.010	74.958	-0.008	-0.008	0.000	0.000	0.000	0.000
289	A	313	GLU	-1	-0.827	-0.909	71.854	4.623	4.623	0.000	0.000	0.000	0.000
290	A	314	LEU	0	-0.056	-0.037	69.821	0.040	0.040	0.000	0.000	0.000	0.000
291	A	315	LEU	0	-0.060	-0.046	72.806	0.019	0.019	0.000	0.000	0.000	0.000
292	A	316	GLU	-1	-0.909	-0.952	75.446	4.270	4.270	0.000	0.000	0.000	0.000
293	A	317	LYS	1	0.803	0.918	70.225	-4.563	-4.563	0.000	0.000	0.000	0.000
294	A	318	LEU	0	-0.085	-0.050	71.198	0.030	0.030	0.000	0.000	0.000	0.000
295	A	319	ASP	-1	-0.831	-0.895	74.036	4.186	4.186	0.000	0.000	0.000	0.000
296	A	320	VAL	0	0.026	-0.034	77.283	-0.015	-0.015	0.000	0.000	0.000	0.000
297	A	321	SER	0	-0.052	-0.013	79.943	-0.051	-0.051	0.000	0.000	0.000	0.000
298	A	322	ARG	1	0.856	0.931	79.089	-4.162	-4.162	0.000	0.000	0.000	0.000
299	A	323	SER	0	-0.041	-0.087	75.993	0.047	0.047	0.000	0.000	0.000	0.000
300	A	324	SER	0	0.013	0.009	78.715	-0.055	-0.055	0.000	0.000	0.000	0.000
301	A	325	VAL	0	0.044	0.024	73.647	-0.007	-0.007	0.000	0.000	0.000	0.000
302	A	326	CYS	0	-0.020	0.016	75.475	0.026	0.026	0.000	0.000	0.000	0.000
303	A	327	VAL	0	0.003	0.002	76.669	0.002	0.002	0.000	0.000	0.000	0.000
304	A	328	LYS	1	0.987	0.997	74.457	-4.368	-4.368	0.000	0.000	0.000	0.000
305	A	329	ALA	0	-0.040	-0.011	72.547	0.048	0.048	0.000	0.000	0.000	0.000
306	A	330	ILE	0	0.025	0.013	73.222	0.055	0.055	0.000	0.000	0.000	0.000
307	A	331	GLU	-1	-0.886	-0.931	75.795	4.166	4.166	0.000	0.000	0.000	0.000
308	A	332	ALA	0	-0.081	-0.049	70.825	0.039	0.039	0.000	0.000	0.000	0.000
309	A	333	LEU	0	-0.045	-0.032	71.613	0.065	0.065	0.000	0.000	0.000	0.000
310	A	334	PHE	0	0.024	0.007	72.665	0.030	0.030	0.000	0.000	0.000	0.000
311	A	335	GLN	0	-0.054	-0.017	72.649	-0.025	-0.025	0.000	0.000	0.000	0.000
312	A	336	SER	0	-0.092	-0.037	68.060	0.040	0.040	0.000	0.000	0.000	0.000
313	A	337	ARG	1	0.866	0.935	68.542	-4.677	-4.677	0.000	0.000	0.000	0.000
314	A	338	PRO	0	0.096	0.041	72.430	-0.054	-0.054	0.000	0.000	0.000	0.000
315	A	339	ASP	-1	-0.917	-0.958	72.436	4.492	4.492	0.000	0.000	0.000	0.000
316	A	340	ILE	0	-0.020	-0.026	73.675	-0.052	-0.052	0.000	0.000	0.000	0.000
317	A	341	LEU	0	0.038	0.029	76.445	-0.045	-0.045	0.000	0.000	0.000	0.000
318	A	342	SER	0	0.021	0.003	79.189	-0.054	-0.054	0.000	0.000	0.000	0.000
319	A	343	LYS	1	0.853	0.928	75.064	-4.391	-4.391	0.000	0.000	0.000	0.000
320	A	344	ILE	0	-0.017	0.011	79.074	-0.018	-0.018	0.000	0.000	0.000	0.000
321	A	345	LYS	1	0.894	0.959	82.974	-3.830	-3.830	0.000	0.000	0.000	0.000
322	A	346	PHE	0	0.006	0.003	85.271	0.021	0.021	0.000	0.000	0.000	0.000
323	A	347	PRO	0	0.029	0.017	88.803	-0.050	-0.050	0.000	0.000	0.000	0.000
324	A	348	GLU	-1	-0.811	-0.926	92.097	3.420	3.420	0.000	0.000	0.000	0.000
325	A	349	SER	0	-0.067	-0.041	90.757	-0.010	-0.010	0.000	0.000	0.000	0.000
326	A	350	ILE	0	0.040	0.019	86.016	0.012	0.012	0.000	0.000	0.000	0.000
327	A	351	TRP	0	0.013	-0.002	89.931	0.012	0.012	0.000	0.000	0.000	0.000
328	A	352	LYS	1	0.854	0.928	92.146	-3.431	-3.431	0.000	0.000	0.000	0.000
329	A	353	ASP	-1	-0.941	-0.957	86.005	3.819	3.819	0.000	0.000	0.000	0.000
330	A	354	PHE	0	0.004	0.018	87.624	0.040	0.040	0.000	0.000	0.000	0.000
331	A	355	THR	0	0.059	0.023	83.648	-0.024	-0.024	0.000	0.000	0.000	0.000
332	A	356	VAL	0	0.034	0.009	82.591	-0.019	-0.019	0.000	0.000	0.000	0.000
333	A	357	GLU	-1	-0.845	-0.929	79.240	4.083	4.083	0.000	0.000	0.000	0.000
334	A	358	ILE	0	-0.001	0.004	82.136	0.010	0.010	0.000	0.000	0.000	0.000
335	A	359	ALA	0	-0.017	-0.012	84.295	-0.020	-0.020	0.000	0.000	0.000	0.000
336	A	360	PHE	0	0.013	-0.009	79.257	-0.015	-0.015	0.000	0.000	0.000	0.000
337	A	361	LEU	0	0.020	-0.005	79.495	0.012	0.012	0.000	0.000	0.000	0.000
338	A	362	PHE	0	-0.029	0.001	83.048	-0.010	-0.010	0.000	0.000	0.000	0.000
339	A	363	ARG	1	0.955	0.979	84.337	-3.903	-3.903	0.000	0.000	0.000	0.000
340	A	364	ALA	0	-0.034	-0.006	81.188	0.002	0.002	0.000	0.000	0.000	0.000
341	A	365	ILE	0	-0.008	-0.015	81.808	0.024	0.024	0.000	0.000	0.000	0.000
342	A	366	TYR	0	0.023	0.026	83.705	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	367	LEU	0	-0.017	-0.025	85.353	-0.018	-0.018	0.000	0.000	0.000	0.000
344	A	368	TYR	0	0.045	0.029	77.571	0.034	0.034	0.000	0.000	0.000	0.000
345	A	369	CYS	0	-0.067	-0.047	83.206	0.029	0.029	0.000	0.000	0.000	0.000
346	A	370	LEU	0	-0.012	0.002	84.984	-0.015	-0.015	0.000	0.000	0.000	0.000
347	A	371	ASP	-1	-0.903	-0.921	83.661	3.851	3.851	0.000	0.000	0.000	0.000
348	A	372	ASN	0	-0.063	-0.027	80.077	0.023	0.023	0.000	0.000	0.000	0.000
349	A	373	ASN	0	-0.034	-0.016	83.436	0.043	0.043	0.000	0.000	0.000	0.000
350	A	374	ILE	0	-0.029	-0.011	81.731	0.006	0.006	0.000	0.000	0.000	0.000
351	A	375	THR	0	0.006	-0.028	85.446	0.013	0.013	0.000	0.000	0.000	0.000
352	A	376	GLU	-1	-0.917	-0.940	85.673	3.728	3.728	0.000	0.000	0.000	0.000
353	A	377	MET	0	-0.033	-0.002	83.195	0.004	0.004	0.000	0.000	0.000	0.000
354	A	378	LEU	0	-0.055	-0.055	87.516	0.017	0.017	0.000	0.000	0.000	0.000
355	A	379	GLU	-1	-0.937	-0.949	90.311	3.490	3.490	0.000	0.000	0.000	0.000
356	A	380	GLU	-1	-0.908	-0.953	90.156	3.579	3.579	0.000	0.000	0.000	0.000
357	A	381	ASN	0	-0.086	-0.047	85.070	-0.012	-0.012	0.000	0.000	0.000	0.000
358	A	382	PHE	0	0.006	-0.002	86.355	0.025	0.025	0.000	0.000	0.000	0.000
359	A	383	PRO	0	-0.008	0.015	91.596	-0.027	-0.027	0.000	0.000	0.000	0.000
360	A	384	GLU	-1	-0.814	-0.862	95.190	3.271	3.271	0.000	0.000	0.000	0.000
361	A	385	ALA	0	0.038	0.005	98.023	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	386	SER	0	0.027	0.003	99.395	0.006	0.006	0.000	0.000	0.000	0.000
363	A	387	LYS	1	0.941	0.989	98.226	-3.276	-3.276	0.000	0.000	0.000	0.000
364	A	388	LEU	0	-0.042	-0.011	94.261	0.012	0.012	0.000	0.000	0.000	0.000
365	A	389	SER	0	-0.034	-0.026	97.474	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	390	GLU	-1	-0.865	-0.935	100.493	3.205	3.205	0.000	0.000	0.000	0.000
367	A	391	HIS	1	0.805	0.903	95.701	-3.419	-3.419	0.000	0.000	0.000	0.000
368	A	392	LEU	0	0.061	0.029	95.890	0.013	0.013	0.000	0.000	0.000	0.000
369	A	393	ASN	0	0.035	0.009	97.565	0.000	0.000	0.000	0.000	0.000	0.000
370	A	394	HIS	0	-0.024	-0.004	96.908	-0.031	-0.031	0.000	0.000	0.000	0.000
371	A	395	TYR	0	0.015	-0.012	92.720	-0.003	-0.003	0.000	0.000	0.000	0.000
372	A	396	ILE	0	0.024	0.009	97.356	0.009	0.009	0.000	0.000	0.000	0.000
373	A	397	LEU	0	-0.041	-0.011	99.689	-0.017	-0.017	0.000	0.000	0.000	0.000
374	A	398	LEU	0	-0.070	-0.035	97.262	-0.008	-0.008	0.000	0.000	0.000	0.000
375	A	399	ARG	1	0.787	0.909	95.379	-3.412	-3.412	0.000	0.000	0.000	0.000
376	A	400	TYR	0	-0.015	-0.020	97.408	0.010	0.010	0.000	0.000	0.000	0.000
377	A	401	HIS	0	0.006	0.019	101.983	-0.027	-0.027	0.000	0.000	0.000	0.000
378	A	414	ASP	-1	-0.860	-0.954	88.462	3.700	3.700	0.000	0.000	0.000	0.000
379	A	415	TYR	0	0.023	-0.001	91.667	-0.014	-0.014	0.000	0.000	0.000	0.000
380	A	416	ASN	0	0.035	0.023	87.441	-0.044	-0.044	0.000	0.000	0.000	0.000
381	A	417	THR	0	-0.010	-0.005	86.737	-0.002	-0.002	0.000	0.000	0.000	0.000
382	A	418	LEU	0	0.005	0.008	89.221	0.001	0.001	0.000	0.000	0.000	0.000
383	A	419	GLU	-1	-0.840	-0.911	92.054	3.503	3.503	0.000	0.000	0.000	0.000
384	A	420	PHE	0	0.030	0.019	83.996	-0.004	-0.004	0.000	0.000	0.000	0.000
385	A	421	ILE	0	0.001	-0.011	88.966	0.007	0.007	0.000	0.000	0.000	0.000
386	A	422	ILE	0	-0.013	-0.006	90.500	-0.010	-0.010	0.000	0.000	0.000	0.000
387	A	423	GLU	-1	-0.921	-0.939	89.063	3.696	3.696	0.000	0.000	0.000	0.000
388	A	424	GLN	0	-0.012	-0.011	85.766	0.041	0.041	0.000	0.000	0.000	0.000
389	A	425	LEU	0	-0.027	-0.014	89.416	-0.001	-0.001	0.000	0.000	0.000	0.000
390	A	426	SER	0	-0.010	-0.021	92.297	-0.037	-0.037	0.000	0.000	0.000	0.000
391	A	427	ILE	0	-0.025	-0.018	87.913	-0.009	-0.009	0.000	0.000	0.000	0.000
392	A	428	ALA	0	0.005	0.003	89.989	-0.001	-0.001	0.000	0.000	0.000	0.000
393	A	429	ALA	0	-0.004	-0.005	91.441	-0.020	-0.020	0.000	0.000	0.000	0.000
394	A	430	GLU	-1	-0.941	-0.945	93.215	3.497	3.497	0.000	0.000	0.000	0.000
395	A	431	ARG	1	0.858	0.912	87.539	-3.725	-3.725	0.000	0.000	0.000	0.000
396	A	432	TYR	0	-0.021	-0.061	92.561	0.026	0.026	0.000	0.000	0.000	0.000
397	A	433	ASP	-1	-0.855	-0.881	95.218	3.333	3.333	0.000	0.000	0.000	0.000
398	A	434	TYR	0	-0.062	-0.092	97.399	-0.030	-0.030	0.000	0.000	0.000	0.000
399	A	435	SER	0	-0.035	-0.043	99.749	-0.043	-0.043	0.000	0.000	0.000	0.000
400	A	436	ASP	-1	-0.858	-0.925	102.356	3.099	3.099	0.000	0.000	0.000	0.000
401	A	437	GLU	-1	-0.832	-0.915	104.359	3.051	3.051	0.000	0.000	0.000	0.000
402	A	438	VAL	0	-0.059	-0.034	106.428	-0.019	-0.019	0.000	0.000	0.000	0.000
403	A	439	GLY	0	0.034	0.007	103.019	-0.001	-0.001	0.000	0.000	0.000	0.000
404	A	440	ARG	1	0.880	0.930	103.427	-3.066	-3.066	0.000	0.000	0.000	0.000
405	A	441	ARG	1	0.911	0.955	104.651	-2.978	-2.978	0.000	0.000	0.000	0.000
406	A	442	SER	0	-0.024	-0.007	104.511	-0.012	-0.012	0.000	0.000	0.000	0.000
407	A	443	MET	0	0.038	0.016	98.099	0.000	0.000	0.000	0.000	0.000	0.000
408	A	444	LEU	0	-0.034	0.001	103.000	0.004	0.004	0.000	0.000	0.000	0.000
409	A	445	THR	0	-0.064	-0.056	105.348	-0.007	-0.007	0.000	0.000	0.000	0.000
410	A	446	VAL	0	-0.003	0.010	101.405	-0.008	-0.008	0.000	0.000	0.000	0.000
411	A	447	VAL	0	0.023	0.000	100.571	0.005	0.005	0.000	0.000	0.000	0.000
412	A	448	ARG	1	0.962	0.980	103.050	-2.995	-2.995	0.000	0.000	0.000	0.000
413	A	449	ASN	0	-0.005	0.008	106.223	-0.032	-0.032	0.000	0.000	0.000	0.000
414	A	450	MET	0	-0.004	0.008	98.802	0.010	0.010	0.000	0.000	0.000	0.000
415	A	451	LEU	0	-0.030	-0.020	101.096	0.006	0.006	0.000	0.000	0.000	0.000
416	A	452	ALA	0	0.035	0.022	104.132	-0.007	-0.007	0.000	0.000	0.000	0.000
417	A	453	LEU	0	-0.057	-0.010	102.638	-0.018	-0.018	0.000	0.000	0.000	0.000
418	A	454	THR	0	0.033	-0.003	104.340	0.036	0.036	0.000	0.000	0.000	0.000
419	A	455	THR	0	-0.028	-0.022	101.832	0.007	0.007	0.000	0.000	0.000	0.000
420	A	456	LEU	0	-0.078	-0.011	98.873	0.038	0.038	0.000	0.000	0.000	0.000
421	A	457	SER	0	0.032	0.015	94.628	-0.010	-0.010	0.000	0.000	0.000	0.000
422	A	458	GLU	-1	-0.799	-0.895	94.426	3.453	3.453	0.000	0.000	0.000	0.000
423	A	459	PRO	0	-0.011	-0.025	91.451	-0.012	-0.012	0.000	0.000	0.000	0.000
424	A	460	LEU	0	0.038	0.007	93.589	0.007	0.007	0.000	0.000	0.000	0.000
425	A	461	ILE	0	0.014	0.018	96.028	-0.033	-0.033	0.000	0.000	0.000	0.000
426	A	462	LYS	1	0.911	0.973	89.804	-3.657	-3.657	0.000	0.000	0.000	0.000
427	A	463	ILE	0	-0.027	-0.006	92.417	-0.011	-0.011	0.000	0.000	0.000	0.000
428	A	464	GLY	0	0.052	0.014	95.368	-0.014	-0.014	0.000	0.000	0.000	0.000
429	A	465	ILE	0	-0.015	-0.013	98.804	-0.032	-0.032	0.000	0.000	0.000	0.000
430	A	466	ARG	1	0.902	0.941	91.482	-3.549	-3.549	0.000	0.000	0.000	0.000
431	A	467	VAL	0	0.012	0.022	96.559	-0.009	-0.009	0.000	0.000	0.000	0.000
432	A	468	MET	0	-0.009	0.000	98.697	-0.029	-0.029	0.000	0.000	0.000	0.000
433	A	469	LYS	1	0.930	0.977	99.834	-3.272	-3.272	0.000	0.000	0.000	0.000
434	A	470	SER	0	-0.018	-0.006	96.949	-0.023	-0.023	0.000	0.000	0.000	0.000
435	A	471	LEU	0	-0.056	-0.008	100.159	-0.024	-0.024	0.000	0.000	0.000	0.000
436	A	472	SER	0	-0.080	-0.021	103.101	-0.038	-0.038	0.000	0.000	0.000	0.000
437	A	473	ILE	0	0.011	0.008	104.728	0.015	0.015	0.000	0.000	0.000	0.000
438	A	474	ASN	0	-0.027	-0.032	106.316	0.004	0.004	0.000	0.000	0.000	0.000
439	A	475	GLU	-1	-0.719	-0.850	104.418	3.140	3.140	0.000	0.000	0.000	0.000
440	A	476	LYS	1	0.994	1.001	107.070	-2.900	-2.900	0.000	0.000	0.000	0.000
441	A	477	ASP	-1	-0.836	-0.900	108.917	2.998	2.998	0.000	0.000	0.000	0.000
442	A	478	PHE	0	-0.011	0.006	102.412	0.001	0.001	0.000	0.000	0.000	0.000
443	A	479	VAL	0	0.018	-0.009	107.030	0.001	0.001	0.000	0.000	0.000	0.000
444	A	480	THR	0	-0.060	-0.062	108.756	-0.020	-0.020	0.000	0.000	0.000	0.000
445	A	481	MET	0	-0.008	0.007	106.992	-0.013	-0.013	0.000	0.000	0.000	0.000
446	A	482	ALA	0	-0.004	0.001	106.263	0.004	0.004	0.000	0.000	0.000	0.000
447	A	483	ILE	0	-0.030	-0.041	107.990	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	484	GLU	-1	-0.973	-0.973	110.855	2.886	2.886	0.000	0.000	0.000	0.000
449	A	485	ILE	0	0.028	0.019	106.618	-0.003	-0.003	0.000	0.000	0.000	0.000
450	A	486	ILE	0	-0.051	-0.036	106.542	-0.002	-0.002	0.000	0.000	0.000	0.000
451	A	487	ASN	0	-0.020	-0.040	109.938	0.005	0.005	0.000	0.000	0.000	0.000
452	A	488	ASP	-1	-0.808	-0.884	112.600	2.870	2.870	0.000	0.000	0.000	0.000
453	A	489	ILE	0	-0.074	-0.025	107.694	0.003	0.003	0.000	0.000	0.000	0.000
454	A	490	ARG	1	0.875	0.924	111.539	-2.897	-2.897	0.000	0.000	0.000	0.000
455	A	491	ASP	-1	-0.897	-0.953	113.406	2.802	2.802	0.000	0.000	0.000	0.000
456	A	492	ASP	-1	-0.873	-0.928	113.959	2.855	2.855	0.000	0.000	0.000	0.000
457	A	493	ASP	-1	-0.915	-0.959	112.952	2.914	2.914	0.000	0.000	0.000	0.000
458	A	494	ILE	0	-0.041	-0.034	114.880	-0.008	-0.008	0.000	0.000	0.000	0.000
459	A	495	GLU	-1	-0.885	-0.929	118.399	2.707	2.707	0.000	0.000	0.000	0.000
460	A	496	LYS	1	0.887	0.934	113.985	-2.894	-2.894	0.000	0.000	0.000	0.000
461	A	497	GLN	0	-0.040	-0.001	116.120	0.007	0.007	0.000	0.000	0.000	0.000
462	A	498	GLU	-1	-0.974	-0.974	119.350	2.668	2.668	0.000	0.000	0.000	0.000
463	A	556	SER	0	-0.046	-0.008	120.570	-0.017	-0.017	0.000	0.000	0.000	0.000
464	A	568	LYS	1	0.826	0.915	120.415	-2.726	-2.726	0.000	0.000	0.000	0.000
465	A	569	GLU	-1	-0.964	-0.999	116.304	2.783	2.783	0.000	0.000	0.000	0.000
466	A	570	ALA	0	0.025	0.010	113.092	0.001	0.001	0.000	0.000	0.000	0.000
467	A	571	SER	0	-0.029	-0.032	110.407	0.022	0.022	0.000	0.000	0.000	0.000
468	A	572	SER	0	0.014	-0.003	107.622	0.012	0.012	0.000	0.000	0.000	0.000
469	A	573	ALA	0	-0.008	-0.015	105.641	0.026	0.026	0.000	0.000	0.000	0.000
470	A	574	THR	0	0.053	0.021	106.072	0.037	0.037	0.000	0.000	0.000	0.000
471	A	575	ILE	0	0.021	0.019	107.294	0.012	0.012	0.000	0.000	0.000	0.000
472	A	576	VAL	0	-0.014	-0.005	101.528	0.020	0.020	0.000	0.000	0.000	0.000
473	A	577	LEU	0	-0.006	0.023	103.004	0.034	0.034	0.000	0.000	0.000	0.000
474	A	578	CYS	0	-0.007	0.012	104.473	0.011	0.011	0.000	0.000	0.000	0.000
475	A	579	LEU	0	0.020	0.006	104.082	0.009	0.009	0.000	0.000	0.000	0.000
476	A	580	THR	0	0.012	-0.004	98.928	0.032	0.032	0.000	0.000	0.000	0.000
477	A	581	ARG	1	0.872	0.952	100.904	-3.152	-3.152	0.000	0.000	0.000	0.000
478	A	582	SER	0	0.023	-0.031	102.942	0.009	0.009	0.000	0.000	0.000	0.000
479	A	583	SER	0	-0.086	-0.038	99.939	0.021	0.021	0.000	0.000	0.000	0.000
480	A	584	TYR	0	-0.046	-0.055	94.721	0.039	0.039	0.000	0.000	0.000	0.000
481	A	585	MET	0	-0.028	0.000	99.618	0.001	0.001	0.000	0.000	0.000	0.000
482	A	586	LEU	0	-0.026	-0.039	102.453	0.000	0.000	0.000	0.000	0.000	0.000
483	A	587	GLU	-1	-0.912	-0.941	94.536	3.493	3.493	0.000	0.000	0.000	0.000
484	A	588	LEU	0	-0.051	-0.024	96.950	0.025	0.025	0.000	0.000	0.000	0.000
485	A	589	VAL	0	-0.075	-0.018	100.237	-0.018	-0.018	0.000	0.000	0.000	0.000
486	A	590	ASN	0	-0.070	-0.058	99.584	0.052	0.052	0.000	0.000	0.000	0.000
487	A	591	THR	0	-0.023	-0.002	103.282	-0.011	-0.011	0.000	0.000	0.000	0.000
488	A	592	PRO	0	0.033	0.009	106.962	0.004	0.004	0.000	0.000	0.000	0.000
489	A	593	LEU	0	0.037	0.015	109.039	-0.017	-0.017	0.000	0.000	0.000	0.000
490	A	594	THR	0	0.003	-0.013	110.854	-0.017	-0.017	0.000	0.000	0.000	0.000
491	A	595	GLU	-1	-0.985	-0.983	110.991	2.947	2.947	0.000	0.000	0.000	0.000
492	A	596	ASN	0	-0.089	-0.040	109.255	-0.022	-0.022	0.000	0.000	0.000	0.000
493	A	597	ILE	0	0.059	0.021	113.006	0.003	0.003	0.000	0.000	0.000	0.000
494	A	598	LEU	0	0.011	-0.002	113.474	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	599	ILE	0	0.057	0.022	107.987	0.003	0.003	0.000	0.000	0.000	0.000
496	A	600	ALA	0	0.025	0.016	111.759	0.010	0.010	0.000	0.000	0.000	0.000
497	A	601	SER	0	-0.001	0.017	114.332	-0.005	-0.005	0.000	0.000	0.000	0.000
498	A	602	LEU	0	0.024	0.009	108.419	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	603	MET	0	0.027	0.004	109.814	0.029	0.029	0.000	0.000	0.000	0.000
500	A	604	ASP	-1	-0.909	-0.945	112.122	2.846	2.846	0.000	0.000	0.000	0.000
501	A	605	THR	0	-0.100	-0.067	114.505	0.004	0.004	0.000	0.000	0.000	0.000
502	A	606	LEU	0	0.005	0.003	108.573	0.002	0.002	0.000	0.000	0.000	0.000
503	A	607	ILE	0	0.001	0.001	106.851	0.021	0.021	0.000	0.000	0.000	0.000
504	A	608	THR	0	-0.002	0.001	108.835	0.015	0.015	0.000	0.000	0.000	0.000
505	A	609	PRO	0	-0.030	-0.028	110.934	0.006	0.006	0.000	0.000	0.000	0.000
506	A	610	ALA	0	0.013	0.018	106.634	0.006	0.006	0.000	0.000	0.000	0.000
507	A	611	VAL	0	-0.039	-0.021	105.910	0.026	0.026	0.000	0.000	0.000	0.000
508	A	612	ARG	1	0.911	0.977	107.332	-2.880	-2.880	0.000	0.000	0.000	0.000
509	A	613	ASN	0	-0.035	-0.020	108.317	0.019	0.019	0.000	0.000	0.000	0.000
510	A	614	THR	0	-0.060	-0.014	104.999	0.034	0.034	0.000	0.000	0.000	0.000
511	A	615	ALA	0	0.068	0.014	101.918	-0.026	-0.026	0.000	0.000	0.000	0.000
512	A	616	PRO	0	0.050	-0.003	98.847	-0.012	-0.012	0.000	0.000	0.000	0.000
513	A	617	ASN	0	0.072	0.058	99.518	-0.023	-0.023	0.000	0.000	0.000	0.000
514	A	618	ILE	0	0.031	0.022	100.441	0.007	0.007	0.000	0.000	0.000	0.000
515	A	619	ARG	1	0.949	0.994	102.929	-3.170	-3.170	0.000	0.000	0.000	0.000
516	A	620	GLU	-1	-0.911	-0.917	96.691	3.427	3.427	0.000	0.000	0.000	0.000
517	A	621	LEU	0	0.032	0.026	99.607	0.007	0.007	0.000	0.000	0.000	0.000
518	A	622	GLY	0	0.050	0.031	101.635	-0.010	-0.010	0.000	0.000	0.000	0.000
519	A	623	VAL	0	-0.007	-0.006	100.369	-0.012	-0.012	0.000	0.000	0.000	0.000
520	A	624	LYS	1	0.998	1.004	95.177	-3.445	-3.445	0.000	0.000	0.000	0.000
521	A	625	ASN	0	-0.021	0.015	100.412	-0.012	-0.012	0.000	0.000	0.000	0.000
522	A	626	LEU	0	0.039	0.018	103.508	-0.013	-0.013	0.000	0.000	0.000	0.000
523	A	627	GLY	0	0.009	-0.018	101.221	-0.011	-0.011	0.000	0.000	0.000	0.000
524	A	628	LEU	0	-0.012	-0.008	98.294	0.005	0.005	0.000	0.000	0.000	0.000
525	A	629	CYS	0	-0.003	0.010	102.008	-0.019	-0.019	0.000	0.000	0.000	0.000
526	A	630	CYS	0	-0.071	-0.028	103.704	-0.024	-0.024	0.000	0.000	0.000	0.000
527	A	631	LEU	0	0.002	0.018	98.631	-0.005	-0.005	0.000	0.000	0.000	0.000
528	A	632	LEU	0	-0.028	0.001	102.823	0.001	0.001	0.000	0.000	0.000	0.000
529	A	633	ASP	-1	-0.911	-0.967	105.782	2.941	2.941	0.000	0.000	0.000	0.000
530	A	634	VAL	0	0.064	0.031	106.693	0.005	0.005	0.000	0.000	0.000	0.000
531	A	635	LYS	1	0.936	0.970	107.966	-2.839	-2.839	0.000	0.000	0.000	0.000
532	A	636	LEU	0	0.021	0.022	108.043	-0.003	-0.003	0.000	0.000	0.000	0.000
533	A	637	ALA	0	0.032	0.018	104.863	0.010	0.010	0.000	0.000	0.000	0.000
534	A	638	ILE	0	-0.042	-0.014	106.762	0.014	0.014	0.000	0.000	0.000	0.000
535	A	639	ASP	-1	-0.908	-0.958	108.821	2.925	2.925	0.000	0.000	0.000	0.000
536	A	640	ASN	0	-0.094	-0.069	106.955	-0.013	-0.013	0.000	0.000	0.000	0.000
537	A	641	MET	0	0.048	0.030	101.654	0.029	0.029	0.000	0.000	0.000	0.000
538	A	642	TYR	0	-0.002	-0.006	104.973	0.025	0.025	0.000	0.000	0.000	0.000
539	A	643	ILE	0	0.009	0.003	105.939	0.017	0.017	0.000	0.000	0.000	0.000
540	A	644	LEU	0	0.056	0.026	101.565	0.025	0.025	0.000	0.000	0.000	0.000
541	A	645	GLY	0	0.066	0.029	101.591	0.038	0.038	0.000	0.000	0.000	0.000
542	A	646	MET	0	-0.036	-0.028	102.071	0.025	0.025	0.000	0.000	0.000	0.000
543	A	647	CYS	0	-0.042	-0.014	101.264	0.011	0.011	0.000	0.000	0.000	0.000
544	A	648	VAL	0	0.057	0.033	97.139	0.028	0.028	0.000	0.000	0.000	0.000
545	A	649	SER	0	-0.059	-0.035	98.034	0.041	0.041	0.000	0.000	0.000	0.000
546	A	650	LYS	1	0.866	0.928	100.252	-3.141	-3.141	0.000	0.000	0.000	0.000
547	A	651	GLY	0	0.036	0.039	99.650	-0.021	-0.021	0.000	0.000	0.000	0.000
548	A	652	ASN	0	0.013	0.000	95.799	0.040	0.040	0.000	0.000	0.000	0.000
549	A	653	ALA	0	0.063	0.010	91.172	-0.005	-0.005	0.000	0.000	0.000	0.000
550	A	654	SER	0	-0.057	-0.086	92.954	0.029	0.029	0.000	0.000	0.000	0.000
551	A	655	LEU	0	0.034	0.010	94.021	-0.010	-0.010	0.000	0.000	0.000	0.000
552	A	656	LYS	1	0.788	0.893	94.049	-3.428	-3.428	0.000	0.000	0.000	0.000
553	A	657	TYR	0	0.058	0.038	87.208	-0.018	-0.018	0.000	0.000	0.000	0.000
554	A	658	ILE	0	0.019	0.026	93.145	0.009	0.009	0.000	0.000	0.000	0.000
555	A	659	ALA	0	0.016	-0.001	95.715	-0.010	-0.010	0.000	0.000	0.000	0.000
556	A	660	LEU	0	-0.007	-0.013	92.267	-0.017	-0.017	0.000	0.000	0.000	0.000
557	A	661	GLN	0	-0.023	-0.013	91.575	0.010	0.010	0.000	0.000	0.000	0.000
558	A	662	VAL	0	0.019	0.030	94.434	-0.011	-0.011	0.000	0.000	0.000	0.000
559	A	663	ILE	0	-0.035	-0.013	97.562	-0.018	-0.018	0.000	0.000	0.000	0.000
560	A	664	VAL	0	0.001	-0.006	92.178	-0.008	-0.008	0.000	0.000	0.000	0.000
561	A	665	ASP	-1	-0.882	-0.932	94.285	3.512	3.512	0.000	0.000	0.000	0.000
562	A	666	ILE	0	-0.021	-0.018	96.633	-0.022	-0.022	0.000	0.000	0.000	0.000
563	A	667	PHE	0	-0.023	-0.020	97.436	-0.023	-0.023	0.000	0.000	0.000	0.000
564	A	668	SER	0	-0.054	-0.025	94.558	0.010	0.010	0.000	0.000	0.000	0.000
565	A	669	VAL	0	-0.057	-0.011	96.675	0.005	0.005	0.000	0.000	0.000	0.000
566	A	670	HIS	0	-0.022	-0.032	99.536	-0.028	-0.028	0.000	0.000	0.000	0.000
567	A	671	GLY	0	-0.001	0.003	99.850	-0.025	-0.025	0.000	0.000	0.000	0.000
568	A	672	ASN	0	-0.026	-0.050	99.420	-0.009	-0.009	0.000	0.000	0.000	0.000
569	A	673	THR	0	-0.040	-0.011	102.634	-0.031	-0.031	0.000	0.000	0.000	0.000
570	A	674	VAL	0	0.022	0.001	103.174	-0.041	-0.041	0.000	0.000	0.000	0.000
571	A	675	VAL	0	-0.045	-0.030	102.843	0.006	0.006	0.000	0.000	0.000	0.000
572	A	676	ASP	-1	-0.801	-0.888	104.474	3.155	3.155	0.000	0.000	0.000	0.000
573	A	677	GLY	0	-0.010	-0.019	107.688	-0.008	-0.008	0.000	0.000	0.000	0.000
574	A	678	GLU	-1	-0.964	-0.983	111.354	2.790	2.790	0.000	0.000	0.000	0.000
575	A	679	GLY	0	-0.022	-0.006	114.049	0.001	0.001	0.000	0.000	0.000	0.000
576	A	680	LYS	1	0.853	0.945	108.666	-2.998	-2.998	0.000	0.000	0.000	0.000
577	A	681	VAL	0	-0.023	-0.002	104.977	-0.006	-0.006	0.000	0.000	0.000	0.000
578	A	682	ASP	-1	-0.855	-0.927	105.546	3.070	3.070	0.000	0.000	0.000	0.000
579	A	683	SER	0	0.002	-0.019	101.081	0.039	0.039	0.000	0.000	0.000	0.000
580	A	684	ILE	0	0.054	0.026	100.283	0.028	0.028	0.000	0.000	0.000	0.000
581	A	685	SER	0	-0.100	-0.055	100.506	0.034	0.034	0.000	0.000	0.000	0.000
582	A	686	LEU	0	0.062	0.021	99.339	0.025	0.025	0.000	0.000	0.000	0.000
583	A	687	HIS	0	0.055	0.032	96.146	0.030	0.030	0.000	0.000	0.000	0.000
584	A	688	LYS	1	0.915	0.958	95.741	-3.212	-3.212	0.000	0.000	0.000	0.000
585	A	689	ILE	0	-0.042	-0.002	96.410	0.027	0.027	0.000	0.000	0.000	0.000
586	A	690	PHE	0	0.034	0.014	92.231	0.032	0.032	0.000	0.000	0.000	0.000
587	A	691	TYR	0	0.045	0.034	89.865	0.034	0.034	0.000	0.000	0.000	0.000
588	A	692	LYS	1	0.895	0.934	91.529	-3.389	-3.389	0.000	0.000	0.000	0.000
589	A	693	VAL	0	-0.021	-0.017	90.613	0.019	0.019	0.000	0.000	0.000	0.000
590	A	694	LEU	0	-0.003	0.004	85.874	0.036	0.036	0.000	0.000	0.000	0.000
591	A	695	LYS	1	0.943	0.984	86.866	-3.561	-3.561	0.000	0.000	0.000	0.000
592	A	696	ASN	0	-0.072	-0.029	87.473	0.034	0.034	0.000	0.000	0.000	0.000
593	A	697	ASN	0	0.079	0.030	83.234	-0.009	-0.009	0.000	0.000	0.000	0.000
594	A	698	GLY	0	-0.020	-0.001	84.679	0.029	0.029	0.000	0.000	0.000	0.000
595	A	699	LEU	0	-0.074	-0.046	86.732	-0.010	-0.010	0.000	0.000	0.000	0.000
596	A	700	PRO	0	0.045	0.015	82.550	-0.025	-0.025	0.000	0.000	0.000	0.000
597	A	701	GLU	-1	-0.866	-0.937	83.309	3.949	3.949	0.000	0.000	0.000	0.000
598	A	702	CYS	0	-0.047	-0.029	85.780	-0.029	-0.029	0.000	0.000	0.000	0.000
599	A	703	GLN	0	-0.004	0.011	83.653	-0.032	-0.032	0.000	0.000	0.000	0.000
600	A	704	VAL	0	0.056	0.040	82.422	-0.001	-0.001	0.000	0.000	0.000	0.000
601	A	705	ILE	0	0.058	0.045	85.098	-0.008	-0.008	0.000	0.000	0.000	0.000
602	A	706	ALA	0	-0.019	-0.002	88.516	-0.026	-0.026	0.000	0.000	0.000	0.000
603	A	707	ALA	0	-0.008	-0.010	84.302	-0.012	-0.012	0.000	0.000	0.000	0.000
604	A	708	GLU	-1	-0.927	-0.975	84.959	3.874	3.874	0.000	0.000	0.000	0.000
605	A	709	GLY	0	-0.004	-0.017	86.254	-0.017	-0.017	0.000	0.000	0.000	0.000
606	A	710	LEU	0	0.002	-0.013	89.100	-0.032	-0.032	0.000	0.000	0.000	0.000
607	A	711	CYS	0	-0.038	-0.013	85.120	0.004	0.004	0.000	0.000	0.000	0.000
608	A	712	LYS	1	0.941	0.970	87.568	-3.682	-3.682	0.000	0.000	0.000	0.000
609	A	713	LEU	0	-0.013	0.007	89.456	-0.023	-0.023	0.000	0.000	0.000	0.000
610	A	714	PHE	0	-0.018	-0.027	89.299	-0.026	-0.026	0.000	0.000	0.000	0.000
611	A	715	LEU	0	-0.065	-0.019	85.049	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	716	ALA	0	-0.026	0.001	89.325	-0.002	-0.002	0.000	0.000	0.000	0.000
613	A	717	ASP	-1	-0.853	-0.896	92.385	3.534	3.534	0.000	0.000	0.000	0.000
614	A	718	VAL	0	-0.034	-0.005	94.147	-0.041	-0.041	0.000	0.000	0.000	0.000
615	A	719	PHE	0	-0.048	-0.016	93.670	-0.034	-0.034	0.000	0.000	0.000	0.000
616	A	720	THR	0	0.006	-0.057	93.670	0.041	0.041	0.000	0.000	0.000	0.000
617	A	721	ASP	-1	-0.860	-0.891	94.682	3.434	3.434	0.000	0.000	0.000	0.000
618	A	722	ASP	-1	-0.762	-0.876	91.716	3.598	3.598	0.000	0.000	0.000	0.000
619	A	723	ASP	-1	-0.862	-0.920	90.868	3.555	3.555	0.000	0.000	0.000	0.000
620	A	724	LEU	0	-0.050	-0.015	91.139	0.035	0.035	0.000	0.000	0.000	0.000
621	A	725	PHE	0	0.018	0.038	84.668	0.051	0.051	0.000	0.000	0.000	0.000
622	A	726	GLU	-1	-0.805	-0.900	86.358	3.829	3.829	0.000	0.000	0.000	0.000
623	A	727	THR	0	-0.126	-0.122	86.136	0.035	0.035	0.000	0.000	0.000	0.000
624	A	728	LEU	0	0.001	0.010	85.641	0.038	0.038	0.000	0.000	0.000	0.000
625	A	729	VAL	0	0.047	0.053	80.932	0.061	0.061	0.000	0.000	0.000	0.000
626	A	730	LEU	0	-0.009	-0.001	81.178	0.066	0.066	0.000	0.000	0.000	0.000
627	A	731	SER	0	-0.088	-0.069	81.644	0.028	0.028	0.000	0.000	0.000	0.000
628	A	732	TYR	0	-0.030	-0.003	74.364	0.049	0.049	0.000	0.000	0.000	0.000
629	A	733	PHE	0	-0.013	-0.018	75.072	0.067	0.067	0.000	0.000	0.000	0.000
630	A	734	SER	0	-0.019	0.009	77.349	0.030	0.030	0.000	0.000	0.000	0.000
631	A	735	PRO	0	0.058	0.015	76.318	0.035	0.035	0.000	0.000	0.000	0.000
632	A	736	ILE	0	-0.048	-0.019	77.257	0.023	0.023	0.000	0.000	0.000	0.000
633	A	737	ASN	0	-0.059	-0.053	79.498	-0.028	-0.028	0.000	0.000	0.000	0.000
634	A	738	SER	0	0.026	0.008	73.710	-0.001	-0.001	0.000	0.000	0.000	0.000
635	A	739	SER	0	-0.057	-0.014	74.758	0.037	0.037	0.000	0.000	0.000	0.000
636	A	740	ASN	0	-0.028	-0.009	76.412	0.036	0.036	0.000	0.000	0.000	0.000
637	A	741	GLU	-1	-0.790	-0.903	72.685	4.547	4.547	0.000	0.000	0.000	0.000
638	A	742	ALA	0	0.024	0.022	75.916	0.004	0.004	0.000	0.000	0.000	0.000
639	A	743	LEU	0	-0.008	0.002	78.730	-0.024	-0.024	0.000	0.000	0.000	0.000
640	A	744	VAL	0	0.037	0.013	74.394	-0.017	-0.017	0.000	0.000	0.000	0.000
641	A	745	GLN	0	-0.067	-0.056	72.784	-0.019	-0.019	0.000	0.000	0.000	0.000
642	A	746	ALA	0	0.002	0.012	76.713	-0.006	-0.006	0.000	0.000	0.000	0.000
643	A	747	PHE	0	0.036	-0.003	79.838	-0.017	-0.017	0.000	0.000	0.000	0.000
644	A	748	ALA	0	-0.019	-0.005	74.995	0.003	0.003	0.000	0.000	0.000	0.000
645	A	749	PHE	0	-0.047	-0.020	76.804	0.036	0.036	0.000	0.000	0.000	0.000
646	A	750	CYS	0	-0.014	-0.009	78.290	-0.036	-0.036	0.000	0.000	0.000	0.000
647	A	751	ILE	0	0.030	0.011	79.164	-0.032	-0.032	0.000	0.000	0.000	0.000
648	A	752	PRO	0	-0.030	-0.010	76.948	-0.015	-0.015	0.000	0.000	0.000	0.000
649	A	753	VAL	0	0.015	0.004	79.292	-0.009	-0.009	0.000	0.000	0.000	0.000
650	A	754	TYR	0	0.007	0.002	81.254	-0.040	-0.040	0.000	0.000	0.000	0.000
651	A	755	CYS	0	-0.035	-0.023	81.418	-0.050	-0.050	0.000	0.000	0.000	0.000
652	A	756	PHE	0	-0.019	-0.018	76.246	-0.020	-0.020	0.000	0.000	0.000	0.000
653	A	757	SER	0	0.019	0.018	81.739	0.001	0.001	0.000	0.000	0.000	0.000
654	A	758	HIS	0	0.027	-0.003	84.758	-0.025	-0.025	0.000	0.000	0.000	0.000
655	A	759	PRO	0	0.034	0.035	86.324	0.019	0.019	0.000	0.000	0.000	0.000
656	A	760	ALA	0	0.012	0.008	87.351	0.002	0.002	0.000	0.000	0.000	0.000
657	A	761	HIS	1	0.809	0.890	86.888	-3.715	-3.715	0.000	0.000	0.000	0.000
658	A	762	GLN	0	-0.031	-0.054	80.700	-0.029	-0.029	0.000	0.000	0.000	0.000
659	A	763	GLN	0	-0.049	-0.038	85.435	0.008	0.008	0.000	0.000	0.000	0.000
660	A	764	ARG	1	0.841	0.934	88.094	-3.591	-3.591	0.000	0.000	0.000	0.000
661	A	765	MET	0	0.016	0.013	81.396	0.003	0.003	0.000	0.000	0.000	0.000
662	A	766	SER	0	-0.057	-0.036	84.207	0.041	0.041	0.000	0.000	0.000	0.000
663	A	767	ARG	1	0.893	0.930	85.248	-3.587	-3.587	0.000	0.000	0.000	0.000
664	A	768	THR	0	-0.014	0.011	85.963	0.010	0.010	0.000	0.000	0.000	0.000
665	A	769	ALA	0	0.015	0.010	81.365	0.022	0.022	0.000	0.000	0.000	0.000
666	A	770	ALA	0	0.005	0.003	82.041	0.053	0.053	0.000	0.000	0.000	0.000
667	A	771	ASP	-1	-0.821	-0.913	83.139	3.795	3.795	0.000	0.000	0.000	0.000
668	A	772	ILE	0	-0.003	-0.010	81.241	0.030	0.030	0.000	0.000	0.000	0.000
669	A	773	LEU	0	-0.033	-0.026	76.737	0.047	0.047	0.000	0.000	0.000	0.000
670	A	774	LEU	0	0.004	0.006	79.601	0.048	0.048	0.000	0.000	0.000	0.000
671	A	775	ARG	1	0.831	0.885	81.429	-3.734	-3.734	0.000	0.000	0.000	0.000
672	A	776	LEU	0	-0.013	0.002	77.769	0.011	0.011	0.000	0.000	0.000	0.000
673	A	777	CYS	0	-0.090	-0.040	76.643	0.083	0.083	0.000	0.000	0.000	0.000
674	A	778	VAL	0	0.002	0.020	77.627	0.032	0.032	0.000	0.000	0.000	0.000
675	A	779	LEU	0	0.051	0.044	78.460	0.007	0.007	0.000	0.000	0.000	0.000
676	A	780	TRP	0	-0.024	-0.059	69.246	0.010	0.010	0.000	0.000	0.000	0.000
677	A	781	ASP	-1	-0.911	-0.978	75.178	4.342	4.342	0.000	0.000	0.000	0.000
678	A	782	ASP	-1	-0.827	-0.907	76.280	4.070	4.070	0.000	0.000	0.000	0.000
679	A	783	LEU	0	-0.152	-0.065	74.901	-0.008	-0.008	0.000	0.000	0.000	0.000
680	A	784	GLN	0	-0.069	-0.021	71.618	0.095	0.095	0.000	0.000	0.000	0.000
681	A	785	SER	0	-0.014	0.015	74.612	0.012	0.012	0.000	0.000	0.000	0.000
682	A	786	SER	0	-0.024	-0.017	77.023	0.035	0.035	0.000	0.000	0.000	0.000
683	A	787	VAL	0	-0.048	-0.038	78.641	-0.048	-0.048	0.000	0.000	0.000	0.000
684	A	788	ILE	0	-0.024	0.001	74.782	0.029	0.029	0.000	0.000	0.000	0.000
685	A	789	PRO	0	-0.395	-0.282	76.809	-0.017	-0.017	0.000	0.000	0.000	0.000
686	A	790	GLU	-1	-0.430	-0.619	76.826	4.143	4.143	0.000	0.000	0.000	0.000
687	A	791	VAL	0	-0.064	-0.108	70.423	0.058	0.058	0.000	0.000	0.000	0.000
688	A	792	ASP	-1	-0.821	-0.943	67.351	4.943	4.943	0.000	0.000	0.000	0.000
689	A	793	ARG	1	0.771	0.995	70.252	-4.532	-4.532	0.000	0.000	0.000	0.000
690	A	794	GLU	-1	-0.911	-0.982	64.744	5.052	5.052	0.000	0.000	0.000	0.000
691	A	795	ALA	0	-0.073	-0.033	69.188	0.015	0.015	0.000	0.000	0.000	0.000
692	A	796	MET	0	0.029	0.024	71.760	-0.071	-0.071	0.000	0.000	0.000	0.000
693	A	797	LEU	0	-0.008	-0.005	69.938	0.076	0.076	0.000	0.000	0.000	0.000
694	A	798	LYS	1	1.009	1.009	64.451	-5.065	-5.065	0.000	0.000	0.000	0.000
695	A	799	PRO	0	0.104	0.023	70.621	0.025	0.025	0.000	0.000	0.000	0.000
696	A	800	ASN	0	0.004	0.010	66.196	-0.055	-0.055	0.000	0.000	0.000	0.000
697	A	801	ILE	0	-0.003	0.004	66.649	0.013	0.013	0.000	0.000	0.000	0.000
698	A	802	ILE	0	0.039	0.030	70.124	-0.024	-0.024	0.000	0.000	0.000	0.000
699	A	803	PHE	0	-0.020	0.004	72.977	-0.043	-0.043	0.000	0.000	0.000	0.000
700	A	804	GLN	0	-0.020	-0.012	67.316	0.002	0.002	0.000	0.000	0.000	0.000
701	A	805	GLN	0	-0.007	0.001	72.364	0.005	0.005	0.000	0.000	0.000	0.000
702	A	806	LEU	0	0.009	-0.011	73.796	-0.040	-0.040	0.000	0.000	0.000	0.000
703	A	807	LEU	0	-0.040	-0.032	73.617	-0.038	-0.038	0.000	0.000	0.000	0.000
704	A	808	PHE	0	-0.025	0.002	72.850	-0.022	-0.022	0.000	0.000	0.000	0.000
705	A	809	TRP	0	0.051	0.015	75.009	-0.037	-0.037	0.000	0.000	0.000	0.000
706	A	810	THR	0	-0.031	-0.014	78.308	-0.057	-0.057	0.000	0.000	0.000	0.000
707	A	811	ASP	-1	-0.871	-0.936	75.103	4.319	4.319	0.000	0.000	0.000	0.000
708	A	812	PRO	0	0.039	0.040	78.201	-0.027	-0.027	0.000	0.000	0.000	0.000
709	A	813	ARG	1	0.927	0.935	71.123	-4.534	-4.534	0.000	0.000	0.000	0.000
710	A	814	ASN	0	-0.048	-0.026	73.967	0.017	0.017	0.000	0.000	0.000	0.000
711	A	815	LEU	0	-0.032	0.040	77.594	-0.011	-0.011	0.000	0.000	0.000	0.000
712	A	816	VAL	0	-0.026	-0.036	80.381	0.037	0.037	0.000	0.000	0.000	0.000
713	A	817	ASN	0	-0.032	-0.004	81.758	-0.014	-0.014	0.000	0.000	0.000	0.000
714	A	818	GLN	0	-0.061	-0.071	83.337	-0.099	-0.099	0.000	0.000	0.000	0.000
715	A	819	THR	0	0.122	0.037	79.332	0.005	0.005	0.000	0.000	0.000	0.000
716	A	820	GLY	0	-0.001	0.014	79.402	0.008	0.008	0.000	0.000	0.000	0.000
717	A	821	SER	0	0.001	-0.015	80.119	-0.024	-0.024	0.000	0.000	0.000	0.000
718	A	822	THR	0	-0.066	0.008	83.709	-0.053	-0.053	0.000	0.000	0.000	0.000
719	A	823	LYS	1	0.835	0.924	84.775	-3.680	-3.680	0.000	0.000	0.000	0.000
720	A	824	LYS	1	0.885	0.980	80.474	-4.029	-4.029	0.000	0.000	0.000	0.000
721	A	825	ASP	-1	-0.799	-0.891	83.339	3.860	3.860	0.000	0.000	0.000	0.000
722	A	826	THR	0	-0.117	-0.090	83.481	-0.032	-0.032	0.000	0.000	0.000	0.000
723	A	827	VAL	0	0.076	0.038	84.124	-0.016	-0.016	0.000	0.000	0.000	0.000
724	A	828	GLN	0	0.076	0.038	75.918	-0.018	-0.018	0.000	0.000	0.000	0.000
725	A	829	LEU	0	-0.056	-0.026	81.723	0.026	0.026	0.000	0.000	0.000	0.000
726	A	830	THR	0	-0.003	-0.011	82.754	0.001	0.001	0.000	0.000	0.000	0.000
727	A	831	PHE	0	0.089	0.057	78.230	0.013	0.013	0.000	0.000	0.000	0.000
728	A	832	LEU	0	-0.044	-0.029	77.591	0.025	0.025	0.000	0.000	0.000	0.000
729	A	833	ILE	0	0.023	0.015	81.165	0.025	0.025	0.000	0.000	0.000	0.000
730	A	834	ASP	-1	-0.849	-0.916	83.944	3.791	3.791	0.000	0.000	0.000	0.000
731	A	835	VAL	0	-0.068	-0.048	78.394	0.004	0.004	0.000	0.000	0.000	0.000
732	A	836	LEU	0	-0.057	-0.033	78.544	0.044	0.044	0.000	0.000	0.000	0.000
733	A	837	LYS	1	0.970	1.001	81.898	-3.703	-3.703	0.000	0.000	0.000	0.000
734	A	838	ILE	0	-0.057	-0.021	80.436	-0.014	-0.014	0.000	0.000	0.000	0.000
735	A	839	TYR	0	0.069	0.039	75.232	0.034	0.034	0.000	0.000	0.000	0.000
736	A	840	ALA	0	-0.029	-0.008	79.847	-0.031	-0.031	0.000	0.000	0.000	0.000
737	A	841	GLN	0	-0.107	-0.051	81.136	-0.062	-0.062	0.000	0.000	0.000	0.000
738	A	842	ILE	0	-0.010	-0.017	76.376	0.016	0.016	0.000	0.000	0.000	0.000
739	A	843	GLU	-1	-0.906	-0.921	78.119	4.117	4.117	0.000	0.000	0.000	0.000
740	A	844	LYS	1	0.934	0.962	72.198	-4.435	-4.435	0.000	0.000	0.000	0.000
741	A	845	LYS	1	0.886	0.920	71.911	-4.487	-4.487	0.000	0.000	0.000	0.000
742	A	846	GLU	-1	-0.942	-0.941	67.627	4.859	4.859	0.000	0.000	0.000	0.000
743	A	847	ILE	0	0.104	0.023	70.051	0.057	0.057	0.000	0.000	0.000	0.000
744	A	848	LYS	1	0.932	0.970	72.543	-4.343	-4.343	0.000	0.000	0.000	0.000
745	A	849	LYS	1	0.938	0.969	63.837	-5.050	-5.050	0.000	0.000	0.000	0.000
746	A	850	MET	0	-0.109	-0.036	67.528	0.028	0.028	0.000	0.000	0.000	0.000
747	A	851	ILE	0	0.027	0.028	70.063	0.035	0.035	0.000	0.000	0.000	0.000
748	A	852	ILE	0	0.043	0.003	70.991	0.002	0.002	0.000	0.000	0.000	0.000
749	A	853	THR	0	-0.103	-0.067	66.555	0.038	0.038	0.000	0.000	0.000	0.000
750	A	854	ASN	0	-0.082	-0.046	68.173	0.090	0.090	0.000	0.000	0.000	0.000
751	A	855	ILE	0	0.049	0.058	69.744	-0.035	-0.035	0.000	0.000	0.000	0.000
752	A	856	ASN	0	-0.080	-0.056	69.279	0.052	0.052	0.000	0.000	0.000	0.000
753	A	857	ALA	0	-0.023	-0.001	70.500	0.043	0.043	0.000	0.000	0.000	0.000
754	A	858	ILE	0	-0.003	0.017	71.569	-0.027	-0.027	0.000	0.000	0.000	0.000
755	A	859	PHE	0	0.028	0.024	73.885	0.046	0.046	0.000	0.000	0.000	0.000
756	A	860	LEU	0	-0.023	-0.026	75.726	-0.078	-0.078	0.000	0.000	0.000	0.000
757	A	861	SER	0	-0.064	-0.067	77.105	0.029	0.029	0.000	0.000	0.000	0.000
758	A	862	SER	0	0.007	0.032	79.377	-0.083	-0.083	0.000	0.000	0.000	0.000
759	A	863	GLH	0	0.275	0.070	80.036	0.043	0.043	0.000	0.000	0.000	0.000
760	A	864	GLN	0	-0.219	-0.128	81.911	0.022	0.022	0.000	0.000	0.000	0.000
761	A	865	ASP	-1	-0.846	-0.849	84.901	3.685	3.685	0.000	0.000	0.000	0.000
762	A	866	TYR	0	0.040	-0.002	86.989	0.015	0.015	0.000	0.000	0.000	0.000
763	A	867	SER	0	-0.022	-0.014	87.569	0.030	0.030	0.000	0.000	0.000	0.000
764	A	868	THR	0	0.075	0.041	86.723	0.037	0.037	0.000	0.000	0.000	0.000
765	A	869	LEU	0	0.013	0.007	80.581	0.028	0.028	0.000	0.000	0.000	0.000
766	A	870	LYS	1	0.946	0.973	84.015	-3.744	-3.744	0.000	0.000	0.000	0.000
767	A	871	GLU	-1	-0.828	-0.913	85.967	3.702	3.702	0.000	0.000	0.000	0.000
768	A	872	LEU	0	-0.053	-0.031	79.853	0.030	0.030	0.000	0.000	0.000	0.000
769	A	873	LEU	0	-0.039	-0.038	80.170	0.041	0.041	0.000	0.000	0.000	0.000
770	A	874	GLU	-1	-0.892	-0.919	82.475	3.732	3.732	0.000	0.000	0.000	0.000
771	A	875	TYR	0	0.024	0.032	83.170	0.015	0.015	0.000	0.000	0.000	0.000
772	A	876	SER	0	-0.114	-0.076	78.355	0.057	0.057	0.000	0.000	0.000	0.000
773	A	877	ASP	-1	-0.888	-0.988	79.307	4.118	4.118	0.000	0.000	0.000	0.000
774	A	878	ASP	-1	-0.877	-0.935	81.073	3.887	3.887	0.000	0.000	0.000	0.000
775	A	879	ILE	0	-0.072	-0.022	77.270	0.030	0.030	0.000	0.000	0.000	0.000
776	A	880	ALA	0	-0.039	0.000	77.044	0.093	0.093	0.000	0.000	0.000	0.000
777	A	881	GLU	-1	-0.901	-0.954	77.282	4.059	4.059	0.000	0.000	0.000	0.000
778	A	882	ASN	0	-0.094	-0.080	74.537	0.091	0.091	0.000	0.000	0.000	0.000
779	A	883	ASP	-1	-0.824	-0.901	72.638	4.570	4.570	0.000	0.000	0.000	0.000
780	A	884	ASN	0	0.019	-0.007	69.609	0.035	0.035	0.000	0.000	0.000	0.000
781	A	885	LEU	0	-0.063	-0.029	68.447	0.086	0.086	0.000	0.000	0.000	0.000
782	A	886	ASP	-1	-0.776	-0.866	68.863	4.625	4.625	0.000	0.000	0.000	0.000
783	A	887	ASN	0	-0.041	-0.042	64.104	0.087	0.087	0.000	0.000	0.000	0.000
784	A	888	VAL	0	0.027	0.018	63.270	-0.042	-0.042	0.000	0.000	0.000	0.000
785	A	889	SER	0	-0.011	-0.026	65.942	-0.003	-0.003	0.000	0.000	0.000	0.000
786	A	890	LYS	1	0.926	0.965	69.012	-4.607	-4.607	0.000	0.000	0.000	0.000
787	A	891	ASN	0	0.013	0.003	64.194	-0.067	-0.067	0.000	0.000	0.000	0.000
788	A	892	ALA	0	-0.074	-0.037	67.680	-0.009	-0.009	0.000	0.000	0.000	0.000
789	A	893	LEU	0	0.060	0.025	68.882	-0.019	-0.019	0.000	0.000	0.000	0.000
790	A	894	ASP	-1	-0.905	-0.963	70.280	4.577	4.577	0.000	0.000	0.000	0.000
791	A	895	LYS	1	0.871	0.930	64.117	-5.068	-5.068	0.000	0.000	0.000	0.000
792	A	896	LEU	0	0.004	0.018	70.334	-0.013	-0.013	0.000	0.000	0.000	0.000
793	A	897	ARG	1	0.986	0.997	73.621	-4.352	-4.352	0.000	0.000	0.000	0.000
794	A	898	ASN	0	-0.003	0.016	70.577	-0.095	-0.095	0.000	0.000	0.000	0.000
795	A	899	ASN	0	-0.034	-0.020	72.450	-0.067	-0.067	0.000	0.000	0.000	0.000
796	A	900	LEU	0	0.010	0.012	74.205	-0.039	-0.039	0.000	0.000	0.000	0.000
797	A	901	ASN	0	0.040	-0.016	76.862	-0.087	-0.087	0.000	0.000	0.000	0.000
798	A	902	SER	0	-0.010	0.013	75.723	-0.062	-0.062	0.000	0.000	0.000	0.000
799	A	903	LEU	0	-0.047	0.007	77.119	-0.060	-0.060	0.000	0.000	0.000	0.000
800	A	904	ILE	0	-0.017	0.005	80.150	-0.064	-0.064	0.000	0.000	0.000	0.000
801	A	905	GLU	-1	-0.892	-0.948	80.418	4.040	4.040	0.000	0.000	0.000	0.000
802	A	906	GLH	0	-0.055	-0.021	77.763	-0.015	-0.015	0.000	0.000	0.000	0.000
803	A	907	ILE	0	-0.068	-0.033	82.473	-0.042	-0.042	0.000	0.000	0.000	0.000
804	A	908	ASN	0	-0.007	-0.017	85.578	-0.019	-0.019	0.000	0.000	0.000	0.000
805	A	909	GLU	-1	-0.903	-0.949	85.107	3.741	3.741	0.000	0.000	0.000	0.000
806	A	910	ARG	1	0.841	0.940	83.274	-3.903	-3.903	0.000	0.000	0.000	0.000
807	A	911	SER	0	-0.070	-0.019	87.789	-0.060	-0.060	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:8:ASP)