FMO DATABASE

FMODB ID: NN57Q

Calculation Name: 4FVM-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4FVM

Chain ID: A

ChEMBL ID:

UniProt ID: P13382

Base Structure: X-ray

Registration Date: 2023-09-24

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptHSide
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	831
LigandCharge	CYM=-1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-22179421.042311
FMO2-HF: Nuclear repulsion	21841814.078858
FMO2-HF: Total energy	-337606.963453
FMO2-MP2: Total energy	-338573.098738

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:349:THR)

Summations of interaction energy for fragment #1(A:349:THR)

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.
1.608	5.748	0.088	-2.057	-2.17	0.004

Interaction energy analysis for fragmet #1(A:349:THR)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.023 / q_NPA : 0.003

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	351	THR	0	-0.045	-0.022	2.616	0.241	4.143	0.090	-2.035	-1.956	0.004
4	A	352	PHE	0	-0.016	-0.005	4.319	-0.068	0.029	-0.001	-0.019	-0.077	0.000
5	A	353	GLN	0	-0.022	-0.018	4.776	0.618	0.759	-0.001	-0.003	-0.137	0.000
6	A	354	MET	0	-0.043	-0.013	7.631	0.179	0.179	0.000	0.000	0.000	0.000
7	A	355	PHE	0	0.007	-0.001	11.400	0.040	0.040	0.000	0.000	0.000	0.000
8	A	356	TRP	0	-0.033	-0.015	14.144	-0.016	-0.016	0.000	0.000	0.000	0.000
9	A	357	LEU	0	-0.031	-0.031	16.947	0.046	0.046	0.000	0.000	0.000	0.000
10	A	358	ASP	-1	-0.817	-0.914	20.566	-0.097	-0.097	0.000	0.000	0.000	0.000
11	A	359	TYR	0	-0.030	-0.012	21.502	-0.028	-0.028	0.000	0.000	0.000	0.000
12	A	360	CYS	0	-0.026	0.003	23.644	0.018	0.018	0.000	0.000	0.000	0.000
13	A	361	GLU	-1	-0.776	-0.881	25.386	-0.183	-0.183	0.000	0.000	0.000	0.000
14	A	362	VAL	0	-0.019	-0.024	26.699	0.015	0.015	0.000	0.000	0.000	0.000
15	A	363	ASN	0	-0.022	-0.003	27.891	-0.007	-0.007	0.000	0.000	0.000	0.000
16	A	364	ASN	0	-0.013	-0.001	28.891	-0.006	-0.006	0.000	0.000	0.000	0.000
17	A	365	THR	0	-0.016	0.001	23.750	-0.020	-0.020	0.000	0.000	0.000	0.000
18	A	366	LEU	0	0.002	0.000	21.458	0.028	0.028	0.000	0.000	0.000	0.000
19	A	367	ILE	0	0.000	-0.007	20.997	-0.039	-0.039	0.000	0.000	0.000	0.000
20	A	368	LEU	0	-0.017	0.009	16.590	0.039	0.039	0.000	0.000	0.000	0.000
21	A	369	PHE	0	0.010	-0.007	18.652	-0.037	-0.037	0.000	0.000	0.000	0.000
22	A	370	GLY	0	0.059	0.010	16.701	0.027	0.027	0.000	0.000	0.000	0.000
23	A	371	LYS	1	0.775	0.883	15.757	-0.020	-0.020	0.000	0.000	0.000	0.000
24	A	372	VAL	0	0.033	0.016	10.437	-0.014	-0.014	0.000	0.000	0.000	0.000
25	A	373	LYS	1	0.890	0.935	9.637	-0.749	-0.749	0.000	0.000	0.000	0.000
26	A	374	LEU	0	-0.023	-0.005	10.299	-0.131	-0.131	0.000	0.000	0.000	0.000
27	A	375	LYS	1	0.985	0.977	10.655	0.064	0.064	0.000	0.000	0.000	0.000
28	A	376	ASP	-1	-0.888	-0.935	11.619	0.274	0.274	0.000	0.000	0.000	0.000
29	A	377	ASP	-1	-0.836	-0.912	12.862	0.814	0.814	0.000	0.000	0.000	0.000
30	A	378	ASN	0	-0.064	-0.021	13.917	-0.024	-0.024	0.000	0.000	0.000	0.000
31	A	379	CYS	0	-0.044	-0.025	14.605	-0.013	-0.013	0.000	0.000	0.000	0.000
32	A	380	VAL	0	-0.018	0.000	15.476	0.002	0.002	0.000	0.000	0.000	0.000
33	A	381	SER	0	-0.005	-0.028	16.644	-0.028	-0.028	0.000	0.000	0.000	0.000
34	A	382	ALA	0	-0.037	-0.026	15.157	-0.032	-0.032	0.000	0.000	0.000	0.000
35	A	383	MET	0	-0.015	-0.012	17.090	0.059	0.059	0.000	0.000	0.000	0.000
36	A	384	VAL	0	0.034	0.010	14.039	-0.063	-0.063	0.000	0.000	0.000	0.000
37	A	385	GLN	0	-0.007	-0.003	17.024	0.032	0.032	0.000	0.000	0.000	0.000
38	A	386	ILE	0	-0.016	-0.017	17.408	-0.063	-0.063	0.000	0.000	0.000	0.000
39	A	387	ASN	0	-0.020	-0.007	19.715	0.090	0.090	0.000	0.000	0.000	0.000
40	A	388	GLY	0	0.081	0.034	20.866	-0.029	-0.029	0.000	0.000	0.000	0.000
41	A	389	LEU	0	-0.041	-0.015	21.703	0.006	0.006	0.000	0.000	0.000	0.000
42	A	390	CYS	0	-0.074	-0.025	24.090	0.010	0.010	0.000	0.000	0.000	0.000
43	A	391	ARG	1	0.920	0.975	27.222	0.160	0.160	0.000	0.000	0.000	0.000
44	A	392	GLU	-1	-0.802	-0.889	26.864	-0.191	-0.191	0.000	0.000	0.000	0.000
45	A	393	LEU	0	0.004	0.011	30.666	0.009	0.009	0.000	0.000	0.000	0.000
46	A	394	PHE	0	-0.014	-0.018	31.186	-0.006	-0.006	0.000	0.000	0.000	0.000
47	A	395	PHE	0	0.004	0.008	36.537	0.004	0.004	0.000	0.000	0.000	0.000
48	A	396	LEU	0	0.028	0.010	39.996	-0.001	-0.001	0.000	0.000	0.000	0.000
49	A	397	PRO	0	0.002	0.006	41.925	0.001	0.001	0.000	0.000	0.000	0.000
50	A	398	ARG	1	0.913	0.950	45.019	0.067	0.067	0.000	0.000	0.000	0.000
51	A	399	GLU	-1	-0.898	-0.951	48.781	-0.048	-0.048	0.000	0.000	0.000	0.000
52	A	400	GLY	0	-0.029	-0.009	50.226	0.001	0.001	0.000	0.000	0.000	0.000
53	A	401	LYS	1	0.848	0.951	47.525	0.064	0.064	0.000	0.000	0.000	0.000
54	A	402	THR	0	-0.007	-0.034	44.178	-0.001	-0.001	0.000	0.000	0.000	0.000
55	A	403	PRO	0	0.024	-0.015	39.473	-0.002	-0.002	0.000	0.000	0.000	0.000
56	A	404	THR	0	-0.005	-0.008	41.175	-0.007	-0.007	0.000	0.000	0.000	0.000
57	A	405	ASP	-1	-0.774	-0.864	42.105	-0.081	-0.081	0.000	0.000	0.000	0.000
58	A	406	ILE	0	0.001	0.004	41.209	-0.002	-0.002	0.000	0.000	0.000	0.000
59	A	407	HIS	0	-0.094	-0.065	36.992	-0.010	-0.010	0.000	0.000	0.000	0.000
60	A	408	GLU	-1	-0.942	-0.975	40.749	-0.099	-0.099	0.000	0.000	0.000	0.000
61	A	409	GLU	-1	-0.793	-0.829	43.734	-0.087	-0.087	0.000	0.000	0.000	0.000
62	A	410	ILE	0	0.014	-0.012	39.594	-0.003	-0.003	0.000	0.000	0.000	0.000
63	A	411	ILE	0	-0.021	0.001	36.350	-0.006	-0.006	0.000	0.000	0.000	0.000
64	A	412	PRO	0	0.051	0.004	39.519	-0.007	-0.007	0.000	0.000	0.000	0.000
65	A	413	LEU	0	0.015	0.014	41.865	-0.002	-0.002	0.000	0.000	0.000	0.000
66	A	414	LEU	0	-0.069	-0.034	37.304	-0.002	-0.002	0.000	0.000	0.000	0.000
67	A	415	MET	0	-0.054	-0.029	36.748	-0.004	-0.004	0.000	0.000	0.000	0.000
68	A	416	ASP	-1	-0.927	-0.938	38.725	-0.124	-0.124	0.000	0.000	0.000	0.000
69	A	417	LYS	1	0.894	0.955	40.096	0.120	0.120	0.000	0.000	0.000	0.000
70	A	418	TYR	0	-0.055	-0.046	35.804	0.002	0.002	0.000	0.000	0.000	0.000
71	A	419	GLY	0	0.003	0.001	36.722	-0.009	-0.009	0.000	0.000	0.000	0.000
72	A	420	LEU	0	-0.091	-0.054	32.055	-0.013	-0.013	0.000	0.000	0.000	0.000
73	A	421	ASP	-1	-0.881	-0.929	33.327	-0.198	-0.198	0.000	0.000	0.000	0.000
74	A	422	ASN	0	-0.041	-0.039	29.990	0.001	0.001	0.000	0.000	0.000	0.000
75	A	423	ILE	0	0.010	0.013	32.134	-0.012	-0.012	0.000	0.000	0.000	0.000
76	A	424	ARG	1	0.910	0.960	24.983	0.301	0.301	0.000	0.000	0.000	0.000
77	A	425	ALA	0	0.071	0.030	30.937	0.003	0.003	0.000	0.000	0.000	0.000
78	A	426	LYS	1	0.889	0.957	28.920	0.154	0.154	0.000	0.000	0.000	0.000
79	A	427	PRO	0	0.060	0.028	33.985	0.001	0.001	0.000	0.000	0.000	0.000
80	A	428	GLN	0	-0.105	-0.077	30.084	-0.018	-0.018	0.000	0.000	0.000	0.000
81	A	429	LYS	1	0.898	0.970	34.879	0.070	0.070	0.000	0.000	0.000	0.000
82	A	430	MET	0	-0.041	0.012	32.040	-0.007	-0.007	0.000	0.000	0.000	0.000
83	A	431	LYS	1	0.937	0.974	34.560	0.056	0.056	0.000	0.000	0.000	0.000
84	A	432	TYR	0	0.004	-0.003	37.619	-0.003	-0.003	0.000	0.000	0.000	0.000
85	A	433	SER	0	0.009	0.002	39.797	0.003	0.003	0.000	0.000	0.000	0.000
86	A	434	PHE	0	-0.024	-0.016	37.061	0.003	0.003	0.000	0.000	0.000	0.000
87	A	435	GLU	-1	-0.773	-0.881	42.590	-0.035	-0.035	0.000	0.000	0.000	0.000
88	A	436	LEU	0	0.009	0.020	43.081	0.001	0.001	0.000	0.000	0.000	0.000
89	A	437	PRO	0	0.044	0.005	46.332	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	438	ASP	-1	-0.865	-0.929	48.640	-0.054	-0.054	0.000	0.000	0.000	0.000
91	A	439	ILE	0	-0.053	-0.008	42.621	-0.002	-0.002	0.000	0.000	0.000	0.000
92	A	440	PRO	0	0.007	0.006	44.792	0.003	0.003	0.000	0.000	0.000	0.000
93	A	441	SER	0	0.030	0.012	43.673	-0.002	-0.002	0.000	0.000	0.000	0.000
94	A	442	GLU	-1	-0.920	-0.982	38.858	-0.057	-0.057	0.000	0.000	0.000	0.000
95	A	443	SER	0	-0.018	-0.003	40.553	0.002	0.002	0.000	0.000	0.000	0.000
96	A	444	ASP	-1	-0.859	-0.921	39.239	-0.079	-0.079	0.000	0.000	0.000	0.000
97	A	445	TYR	0	0.055	0.013	36.976	0.000	0.000	0.000	0.000	0.000	0.000
98	A	446	LEU	0	-0.017	0.002	36.742	-0.005	-0.005	0.000	0.000	0.000	0.000
99	A	447	LYS	1	0.800	0.888	27.340	0.175	0.175	0.000	0.000	0.000	0.000
100	A	448	VAL	0	0.010	-0.002	33.181	-0.009	-0.009	0.000	0.000	0.000	0.000
101	A	449	LEU	0	-0.057	-0.031	26.511	-0.003	-0.003	0.000	0.000	0.000	0.000
102	A	450	LEU	0	0.056	0.025	30.349	-0.008	-0.008	0.000	0.000	0.000	0.000
103	A	451	PRO	0	0.023	0.000	28.149	-0.002	-0.002	0.000	0.000	0.000	0.000
104	A	452	TYR	0	-0.052	-0.041	27.339	0.018	0.018	0.000	0.000	0.000	0.000
105	A	453	GLN	0	-0.059	-0.041	25.225	-0.003	-0.003	0.000	0.000	0.000	0.000
106	A	454	THR	0	0.015	0.009	29.746	-0.009	-0.009	0.000	0.000	0.000	0.000
107	A	455	PRO	0	0.003	0.002	32.655	0.004	0.004	0.000	0.000	0.000	0.000
108	A	456	LYS	1	0.939	0.977	34.976	0.157	0.157	0.000	0.000	0.000	0.000
109	A	457	SER	0	0.043	0.015	37.289	-0.002	-0.002	0.000	0.000	0.000	0.000
110	A	458	SER	0	0.028	0.026	33.615	0.005	0.005	0.000	0.000	0.000	0.000
111	A	459	ARG	1	0.795	0.892	35.068	0.117	0.117	0.000	0.000	0.000	0.000
112	A	460	ASP	-1	-0.848	-0.919	37.289	-0.111	-0.111	0.000	0.000	0.000	0.000
113	A	461	THR	0	0.013	0.020	36.270	-0.006	-0.006	0.000	0.000	0.000	0.000
114	A	462	ILE	0	-0.040	-0.019	37.372	0.005	0.005	0.000	0.000	0.000	0.000
115	A	463	PRO	0	-0.015	-0.002	40.046	-0.002	-0.002	0.000	0.000	0.000	0.000
116	A	464	SER	0	0.047	0.019	41.896	-0.002	-0.002	0.000	0.000	0.000	0.000
117	A	465	ASP	-1	-0.922	-0.965	42.971	-0.072	-0.072	0.000	0.000	0.000	0.000
118	A	466	LEU	0	-0.067	-0.021	43.136	0.001	0.001	0.000	0.000	0.000	0.000
119	A	467	SER	0	0.016	0.000	46.266	0.002	0.002	0.000	0.000	0.000	0.000
120	A	468	SER	0	-0.004	-0.031	46.957	-0.002	-0.002	0.000	0.000	0.000	0.000
121	A	469	ASP	-1	-0.898	-0.933	49.038	-0.063	-0.063	0.000	0.000	0.000	0.000
122	A	470	THR	0	-0.075	-0.078	46.360	0.001	0.001	0.000	0.000	0.000	0.000
123	A	471	PHE	0	-0.034	-0.031	44.201	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	472	TYR	0	-0.063	-0.044	46.181	0.000	0.000	0.000	0.000	0.000	0.000
125	A	473	HIS	0	0.073	0.036	41.736	0.004	0.004	0.000	0.000	0.000	0.000
126	A	474	VAL	0	-0.046	-0.016	38.706	-0.004	-0.004	0.000	0.000	0.000	0.000
127	A	475	PHE	0	0.028	0.027	36.938	0.000	0.000	0.000	0.000	0.000	0.000
128	A	476	GLY	0	0.055	0.016	34.355	-0.008	-0.008	0.000	0.000	0.000	0.000
129	A	477	GLY	0	0.033	0.029	34.247	-0.010	-0.010	0.000	0.000	0.000	0.000
130	A	478	ASN	0	-0.044	-0.034	35.860	-0.010	-0.010	0.000	0.000	0.000	0.000
131	A	479	SER	0	-0.035	-0.019	30.724	0.003	0.003	0.000	0.000	0.000	0.000
132	A	480	ASN	0	0.006	-0.024	29.192	-0.008	-0.008	0.000	0.000	0.000	0.000
133	A	481	ILE	0	0.027	0.020	25.299	-0.004	-0.004	0.000	0.000	0.000	0.000
134	A	482	PHE	0	0.015	0.005	22.958	-0.016	-0.016	0.000	0.000	0.000	0.000
135	A	483	GLU	-1	-0.766	-0.856	24.677	-0.110	-0.110	0.000	0.000	0.000	0.000
136	A	484	SER	0	0.003	0.008	25.991	0.003	0.003	0.000	0.000	0.000	0.000
137	A	485	PHE	0	0.040	0.012	16.846	-0.004	-0.004	0.000	0.000	0.000	0.000
138	A	486	VAL	0	-0.014	-0.002	21.205	-0.011	-0.011	0.000	0.000	0.000	0.000
139	A	487	ILE	0	0.011	0.010	22.211	0.008	0.008	0.000	0.000	0.000	0.000
140	A	488	GLN	0	-0.058	-0.029	22.631	-0.002	-0.002	0.000	0.000	0.000	0.000
141	A	489	ASN	0	-0.106	-0.069	16.338	0.017	0.017	0.000	0.000	0.000	0.000
142	A	490	ARG	1	0.884	0.947	18.211	0.202	0.202	0.000	0.000	0.000	0.000
143	A	491	ILE	0	-0.001	0.009	16.418	0.021	0.021	0.000	0.000	0.000	0.000
144	A	492	MET	0	-0.016	0.014	19.356	0.004	0.004	0.000	0.000	0.000	0.000
145	A	493	GLY	0	0.047	0.036	20.868	0.028	0.028	0.000	0.000	0.000	0.000
146	A	494	PRO	0	-0.017	0.000	19.158	-0.013	-0.013	0.000	0.000	0.000	0.000
147	A	495	CYS	0	-0.010	-0.013	14.539	0.036	0.036	0.000	0.000	0.000	0.000
148	A	496	TRP	0	0.005	-0.007	10.318	-0.035	-0.035	0.000	0.000	0.000	0.000
149	A	497	LEU	0	-0.030	-0.012	11.156	0.023	0.023	0.000	0.000	0.000	0.000
150	A	498	ASP	-1	-0.793	-0.889	6.315	-0.504	-0.504	0.000	0.000	0.000	0.000
151	A	499	ILE	0	-0.041	-0.024	7.797	0.137	0.137	0.000	0.000	0.000	0.000
152	A	500	LYS	1	0.973	0.995	8.170	0.609	0.609	0.000	0.000	0.000	0.000
153	A	501	GLY	0	0.003	-0.013	9.156	0.300	0.300	0.000	0.000	0.000	0.000
154	A	502	ALA	0	-0.026	-0.006	10.610	0.211	0.211	0.000	0.000	0.000	0.000
155	A	503	ASP	-1	-0.815	-0.911	12.261	-0.817	-0.817	0.000	0.000	0.000	0.000
156	A	504	PHE	0	-0.001	-0.026	9.725	0.092	0.092	0.000	0.000	0.000	0.000
157	A	505	ASN	0	-0.031	-0.013	15.787	0.132	0.132	0.000	0.000	0.000	0.000
158	A	506	SER	0	-0.032	0.009	19.063	0.078	0.078	0.000	0.000	0.000	0.000
159	A	507	ILE	0	-0.039	-0.018	19.783	0.058	0.058	0.000	0.000	0.000	0.000
160	A	508	ARG	1	0.947	0.965	21.922	0.376	0.376	0.000	0.000	0.000	0.000
161	A	509	ASN	0	-0.069	-0.030	24.605	0.029	0.029	0.000	0.000	0.000	0.000
162	A	510	ALA	0	0.047	0.030	23.763	0.023	0.023	0.000	0.000	0.000	0.000
163	A	511	SER	0	-0.042	-0.066	22.558	0.024	0.024	0.000	0.000	0.000	0.000
164	A	512	HIS	0	-0.093	-0.058	24.906	0.006	0.006	0.000	0.000	0.000	0.000
165	A	513	CYS	0	-0.029	0.007	19.812	0.027	0.027	0.000	0.000	0.000	0.000
166	A	514	ALA	0	-0.010	0.005	18.332	-0.007	-0.007	0.000	0.000	0.000	0.000
167	A	515	VAL	0	0.001	-0.002	13.578	-0.032	-0.032	0.000	0.000	0.000	0.000
168	A	516	GLU	-1	-0.769	-0.864	17.044	-0.297	-0.297	0.000	0.000	0.000	0.000
169	A	517	VAL	0	0.009	0.021	12.847	-0.038	-0.038	0.000	0.000	0.000	0.000
170	A	518	SER	0	-0.011	-0.008	16.052	0.064	0.064	0.000	0.000	0.000	0.000
171	A	519	VAL	0	0.012	0.010	13.499	-0.117	-0.117	0.000	0.000	0.000	0.000
172	A	520	ASP	-1	-0.747	-0.872	16.473	-0.623	-0.623	0.000	0.000	0.000	0.000
173	A	521	LYS	1	0.843	0.915	16.507	0.780	0.780	0.000	0.000	0.000	0.000
174	A	522	PRO	0	0.064	0.033	16.684	-0.073	-0.073	0.000	0.000	0.000	0.000
175	A	523	GLN	0	0.027	0.013	16.366	-0.045	-0.045	0.000	0.000	0.000	0.000
176	A	524	ASN	0	-0.099	-0.054	12.618	-0.013	-0.013	0.000	0.000	0.000	0.000
177	A	525	ILE	0	0.012	0.014	11.436	-0.170	-0.170	0.000	0.000	0.000	0.000
178	A	526	THR	0	0.012	0.011	10.376	0.081	0.081	0.000	0.000	0.000	0.000
179	A	527	PRO	0	0.000	0.008	11.335	-0.043	-0.043	0.000	0.000	0.000	0.000
180	A	528	THR	0	0.009	0.014	8.436	0.075	0.075	0.000	0.000	0.000	0.000
181	A	529	THR	0	0.000	-0.013	11.607	0.008	0.008	0.000	0.000	0.000	0.000
182	A	530	THR	0	-0.054	-0.017	10.691	0.075	0.075	0.000	0.000	0.000	0.000
183	A	531	LYS	1	0.949	0.962	13.393	-0.385	-0.385	0.000	0.000	0.000	0.000
184	A	532	THR	0	-0.003	0.018	15.192	-0.036	-0.036	0.000	0.000	0.000	0.000
185	A	533	MET	0	-0.038	-0.006	15.616	-0.028	-0.028	0.000	0.000	0.000	0.000
186	A	534	PRO	0	0.005	0.015	15.125	0.030	0.030	0.000	0.000	0.000	0.000
187	A	535	ASN	0	0.001	-0.010	17.274	-0.017	-0.017	0.000	0.000	0.000	0.000
188	A	536	LEU	0	-0.017	-0.007	20.348	-0.027	-0.027	0.000	0.000	0.000	0.000
189	A	537	ARG	1	0.849	0.912	22.331	-0.006	-0.006	0.000	0.000	0.000	0.000
190	A	538	CYS	0	0.001	0.011	25.135	-0.017	-0.017	0.000	0.000	0.000	0.000
191	A	539	LEU	0	0.019	0.001	28.499	0.004	0.004	0.000	0.000	0.000	0.000
192	A	540	SER	0	-0.046	-0.016	31.601	-0.007	-0.007	0.000	0.000	0.000	0.000
193	A	541	LEU	0	0.004	-0.023	34.800	-0.002	-0.002	0.000	0.000	0.000	0.000
194	A	542	SER	0	0.001	-0.003	37.429	0.002	0.002	0.000	0.000	0.000	0.000
195	A	543	ILE	0	0.002	-0.001	39.800	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	544	GLN	0	0.039	0.047	43.524	0.000	0.000	0.000	0.000	0.000	0.000
197	A	545	THR	0	0.002	-0.017	46.784	-0.002	-0.002	0.000	0.000	0.000	0.000
198	A	546	LEU	0	-0.023	-0.010	49.134	0.003	0.003	0.000	0.000	0.000	0.000
199	A	547	MET	0	0.010	0.024	52.516	-0.003	-0.003	0.000	0.000	0.000	0.000
200	A	548	ASN	0	-0.019	-0.014	54.573	0.003	0.003	0.000	0.000	0.000	0.000
201	A	549	PRO	0	0.003	-0.018	56.453	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	550	LYS	1	0.916	0.965	59.098	0.023	0.023	0.000	0.000	0.000	0.000
203	A	551	GLU	-1	-0.831	-0.919	55.032	-0.033	-0.033	0.000	0.000	0.000	0.000
204	A	552	ASN	0	-0.047	-0.015	55.896	0.000	0.000	0.000	0.000	0.000	0.000
205	A	553	LYS	1	0.882	0.958	51.444	0.038	0.038	0.000	0.000	0.000	0.000
206	A	554	GLN	0	0.011	0.000	48.621	0.003	0.003	0.000	0.000	0.000	0.000
207	A	555	GLU	-1	-0.859	-0.936	48.968	-0.031	-0.031	0.000	0.000	0.000	0.000
208	A	556	ILE	0	0.032	0.011	43.139	0.003	0.003	0.000	0.000	0.000	0.000
209	A	557	VAL	0	-0.027	-0.006	47.330	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	558	SER	0	-0.006	-0.025	45.914	0.000	0.000	0.000	0.000	0.000	0.000
211	A	559	ILE	0	0.015	0.005	39.475	-0.001	-0.001	0.000	0.000	0.000	0.000
212	A	560	THR	0	-0.024	-0.011	39.976	0.000	0.000	0.000	0.000	0.000	0.000
213	A	561	LEU	0	-0.017	-0.013	35.134	-0.002	-0.002	0.000	0.000	0.000	0.000
214	A	562	SER	0	0.021	0.018	35.636	0.005	0.005	0.000	0.000	0.000	0.000
215	A	563	ALA	0	0.019	0.007	30.371	-0.003	-0.003	0.000	0.000	0.000	0.000
216	A	564	TYR	0	0.023	-0.007	29.873	0.008	0.008	0.000	0.000	0.000	0.000
217	A	565	ARG	1	0.789	0.847	25.495	-0.039	-0.039	0.000	0.000	0.000	0.000
218	A	566	ASN	0	0.016	0.009	22.482	0.019	0.019	0.000	0.000	0.000	0.000
219	A	567	ILE	0	0.018	0.026	24.812	0.015	0.015	0.000	0.000	0.000	0.000
220	A	568	SER	0	0.046	0.015	21.728	0.001	0.001	0.000	0.000	0.000	0.000
221	A	569	LEU	0	-0.019	-0.021	23.091	-0.008	-0.008	0.000	0.000	0.000	0.000
222	A	570	ASP	-1	-0.822	-0.911	19.283	0.272	0.272	0.000	0.000	0.000	0.000
223	A	571	SER	0	-0.065	-0.034	22.994	0.019	0.019	0.000	0.000	0.000	0.000
224	A	572	PRO	0	-0.017	0.005	26.237	-0.012	-0.012	0.000	0.000	0.000	0.000
225	A	573	ILE	0	0.004	0.000	28.650	0.006	0.006	0.000	0.000	0.000	0.000
226	A	574	PRO	0	-0.022	0.000	30.452	-0.007	-0.007	0.000	0.000	0.000	0.000
227	A	575	GLU	-1	-0.811	-0.914	33.410	0.070	0.070	0.000	0.000	0.000	0.000
228	A	576	ASN	0	-0.099	-0.053	36.845	-0.003	-0.003	0.000	0.000	0.000	0.000
229	A	577	ILE	0	-0.005	0.020	30.190	0.001	0.001	0.000	0.000	0.000	0.000
230	A	578	LYS	1	0.954	0.963	34.704	-0.080	-0.080	0.000	0.000	0.000	0.000
231	A	579	PRO	0	-0.028	-0.003	33.124	0.005	0.005	0.000	0.000	0.000	0.000
232	A	580	ASP	-1	-0.856	-0.921	29.126	0.084	0.084	0.000	0.000	0.000	0.000
233	A	581	ASP	-1	-0.870	-0.933	32.163	0.013	0.013	0.000	0.000	0.000	0.000
234	A	582	LEU	0	0.010	0.021	34.326	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	583	CYS	0	-0.040	-0.007	37.557	-0.002	-0.002	0.000	0.000	0.000	0.000
236	A	584	THR	0	0.044	0.039	39.297	-0.002	-0.002	0.000	0.000	0.000	0.000
237	A	585	LEU	0	-0.065	-0.027	39.160	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	586	VAL	0	0.047	0.003	43.433	0.000	0.000	0.000	0.000	0.000	0.000
239	A	587	ARG	1	0.805	0.896	47.045	0.022	0.022	0.000	0.000	0.000	0.000
240	A	588	PRO	0	-0.008	0.004	49.579	0.002	0.002	0.000	0.000	0.000	0.000
241	A	589	PRO	0	-0.004	-0.004	53.370	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	590	GLN	0	-0.053	-0.014	54.596	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	591	SER	0	0.029	0.011	57.874	-0.001	-0.001	0.000	0.000	0.000	0.000
244	A	592	THR	0	0.045	0.017	55.302	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	593	SER	0	-0.043	-0.022	55.041	-0.001	-0.001	0.000	0.000	0.000	0.000
246	A	594	PHE	0	-0.003	-0.001	50.268	0.001	0.001	0.000	0.000	0.000	0.000
247	A	595	PRO	0	0.018	0.015	55.945	0.000	0.000	0.000	0.000	0.000	0.000
248	A	596	LEU	0	0.040	0.018	56.960	0.000	0.000	0.000	0.000	0.000	0.000
249	A	597	GLY	0	0.024	0.006	56.950	0.001	0.001	0.000	0.000	0.000	0.000
250	A	598	LEU	0	0.013	0.005	51.925	0.002	0.002	0.000	0.000	0.000	0.000
251	A	599	ALA	0	0.029	0.010	50.441	0.001	0.001	0.000	0.000	0.000	0.000
252	A	600	ALA	0	-0.014	-0.008	50.734	0.002	0.002	0.000	0.000	0.000	0.000
253	A	601	LEU	0	0.002	0.001	52.858	0.003	0.003	0.000	0.000	0.000	0.000
254	A	602	ALA	0	0.030	0.011	48.422	0.002	0.002	0.000	0.000	0.000	0.000
255	A	603	LYS	1	0.975	0.989	47.239	-0.019	-0.019	0.000	0.000	0.000	0.000
256	A	604	GLN	0	-0.020	0.003	48.727	0.003	0.003	0.000	0.000	0.000	0.000
257	A	605	LYS	1	0.881	0.934	51.046	-0.017	-0.017	0.000	0.000	0.000	0.000
258	A	606	LEU	0	-0.050	-0.014	46.758	0.001	0.001	0.000	0.000	0.000	0.000
259	A	607	PRO	0	0.013	0.025	42.851	0.001	0.001	0.000	0.000	0.000	0.000
260	A	608	GLY	0	0.026	0.010	40.637	-0.002	-0.002	0.000	0.000	0.000	0.000
261	A	609	ARG	1	0.813	0.881	35.456	-0.010	-0.010	0.000	0.000	0.000	0.000
262	A	610	VAL	0	0.048	0.014	41.924	-0.002	-0.002	0.000	0.000	0.000	0.000
263	A	611	ARG	1	0.887	0.946	38.529	0.018	0.018	0.000	0.000	0.000	0.000
264	A	612	LEU	0	0.010	0.007	44.543	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	613	PHE	0	-0.010	-0.008	41.926	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	614	ASN	0	0.071	0.016	47.968	0.003	0.003	0.000	0.000	0.000	0.000
267	A	615	ASN	0	0.010	-0.001	48.721	-0.002	-0.002	0.000	0.000	0.000	0.000
268	A	616	GLU	-1	-0.668	-0.808	46.481	-0.031	-0.031	0.000	0.000	0.000	0.000
269	A	617	LYS	1	0.921	0.964	44.171	0.056	0.056	0.000	0.000	0.000	0.000
270	A	618	ALA	0	0.003	0.000	44.054	-0.003	-0.003	0.000	0.000	0.000	0.000
271	A	619	MET	0	-0.031	0.014	43.031	0.000	0.000	0.000	0.000	0.000	0.000
272	A	620	LEU	0	0.040	0.006	41.204	0.000	0.000	0.000	0.000	0.000	0.000
273	A	621	SER	0	-0.021	-0.021	39.517	-0.005	-0.005	0.000	0.000	0.000	0.000
274	A	622	CYS	0	-0.048	-0.019	38.192	-0.002	-0.002	0.000	0.000	0.000	0.000
275	A	623	PHE	0	0.025	0.011	36.316	0.000	0.000	0.000	0.000	0.000	0.000
276	A	624	CYS	0	-0.013	0.011	34.979	0.000	0.000	0.000	0.000	0.000	0.000
277	A	625	ALA	0	-0.013	0.000	33.349	-0.005	-0.005	0.000	0.000	0.000	0.000
278	A	626	MET	0	-0.031	-0.032	32.431	0.000	0.000	0.000	0.000	0.000	0.000
279	A	627	LEU	0	0.034	0.023	30.728	0.004	0.004	0.000	0.000	0.000	0.000
280	A	628	LYS	1	0.895	0.957	27.136	0.136	0.136	0.000	0.000	0.000	0.000
281	A	629	VAL	0	-0.039	-0.015	27.371	-0.006	-0.006	0.000	0.000	0.000	0.000
282	A	630	GLU	-1	-0.783	-0.834	27.054	0.017	0.017	0.000	0.000	0.000	0.000
283	A	631	ASP	-1	-0.738	-0.817	22.782	-0.105	-0.105	0.000	0.000	0.000	0.000
284	A	632	PRO	0	-0.023	-0.008	24.554	0.006	0.006	0.000	0.000	0.000	0.000
285	A	633	ASP	-1	-0.726	-0.848	21.772	-0.043	-0.043	0.000	0.000	0.000	0.000
286	A	634	VAL	0	-0.020	-0.009	24.512	-0.008	-0.008	0.000	0.000	0.000	0.000
287	A	635	ILE	0	-0.001	0.001	27.703	0.006	0.006	0.000	0.000	0.000	0.000
288	A	636	ILE	0	0.004	-0.001	30.926	-0.002	-0.002	0.000	0.000	0.000	0.000
289	A	637	GLY	0	0.036	0.004	33.745	-0.002	-0.002	0.000	0.000	0.000	0.000
290	A	638	HIS	0	-0.027	-0.013	37.422	0.000	0.000	0.000	0.000	0.000	0.000
291	A	639	ARG	1	0.863	0.918	40.464	0.000	0.000	0.000	0.000	0.000	0.000
292	A	640	LEU	0	-0.007	0.003	35.703	-0.003	-0.003	0.000	0.000	0.000	0.000
293	A	641	GLN	0	-0.024	-0.023	36.934	0.001	0.001	0.000	0.000	0.000	0.000
294	A	642	ASN	0	0.004	0.004	38.493	-0.007	-0.007	0.000	0.000	0.000	0.000
295	A	643	VAL	0	0.013	0.009	41.993	0.002	0.002	0.000	0.000	0.000	0.000
296	A	644	TYR	0	-0.003	-0.003	41.352	-0.003	-0.003	0.000	0.000	0.000	0.000
297	A	645	LEU	0	0.017	0.008	35.455	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	646	ASP	-1	-0.859	-0.928	39.508	-0.048	-0.048	0.000	0.000	0.000	0.000
299	A	647	VAL	0	-0.048	-0.029	42.120	-0.002	-0.002	0.000	0.000	0.000	0.000
300	A	648	LEU	0	-0.022	-0.019	37.626	-0.001	-0.001	0.000	0.000	0.000	0.000
301	A	649	ALA	0	-0.001	0.007	39.081	-0.003	-0.003	0.000	0.000	0.000	0.000
302	A	650	HIS	0	0.053	0.007	40.519	-0.004	-0.004	0.000	0.000	0.000	0.000
303	A	651	ARG	1	0.772	0.893	44.077	0.034	0.034	0.000	0.000	0.000	0.000
304	A	652	MET	0	-0.018	-0.008	37.228	-0.003	-0.003	0.000	0.000	0.000	0.000
305	A	653	HIS	0	0.015	0.033	42.220	0.000	0.000	0.000	0.000	0.000	0.000
306	A	654	ASP	-1	-0.830	-0.926	43.461	-0.046	-0.046	0.000	0.000	0.000	0.000
307	A	655	LEU	0	-0.073	-0.032	45.386	0.000	0.000	0.000	0.000	0.000	0.000
308	A	656	ASN	0	-0.006	0.004	43.538	-0.004	-0.004	0.000	0.000	0.000	0.000
309	A	657	ILE	0	-0.043	-0.026	38.902	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	658	PRO	0	0.018	0.010	38.642	-0.004	-0.004	0.000	0.000	0.000	0.000
311	A	659	THR	0	-0.003	-0.011	34.911	-0.007	-0.007	0.000	0.000	0.000	0.000
312	A	660	PHE	0	0.046	0.007	34.925	0.001	0.001	0.000	0.000	0.000	0.000
313	A	661	SER	0	0.027	0.014	31.508	0.001	0.001	0.000	0.000	0.000	0.000
314	A	662	SER	0	-0.066	-0.016	30.209	-0.003	-0.003	0.000	0.000	0.000	0.000
315	A	663	ILE	0	0.025	0.000	30.592	0.006	0.006	0.000	0.000	0.000	0.000
316	A	664	GLY	0	0.042	0.036	28.890	0.007	0.007	0.000	0.000	0.000	0.000
317	A	665	ARG	1	0.720	0.827	22.193	0.103	0.103	0.000	0.000	0.000	0.000
318	A	666	ARG	1	0.982	0.999	25.160	0.161	0.161	0.000	0.000	0.000	0.000
319	A	667	LEU	0	-0.068	-0.021	27.019	0.023	0.023	0.000	0.000	0.000	0.000
320	A	668	ARG	1	0.756	0.847	29.413	0.126	0.126	0.000	0.000	0.000	0.000
321	A	669	ARG	1	0.962	0.972	32.801	0.130	0.130	0.000	0.000	0.000	0.000
322	A	670	THR	0	0.029	0.013	35.887	0.007	0.007	0.000	0.000	0.000	0.000
323	A	671	TRP	0	0.025	0.010	36.842	-0.006	-0.006	0.000	0.000	0.000	0.000
324	A	672	PRO	0	0.019	0.002	36.813	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	673	GLU	-1	-0.830	-0.911	39.216	-0.092	-0.092	0.000	0.000	0.000	0.000
326	A	674	LYS	1	0.867	0.921	42.128	0.093	0.093	0.000	0.000	0.000	0.000
327	A	675	PHE	0	-0.032	-0.003	40.468	0.004	0.004	0.000	0.000	0.000	0.000
328	A	676	GLY	0	0.022	0.004	43.031	0.001	0.001	0.000	0.000	0.000	0.000
329	A	677	ARG	1	0.836	0.947	46.176	0.059	0.059	0.000	0.000	0.000	0.000
330	A	678	GLY	0	0.037	0.006	46.766	0.001	0.001	0.000	0.000	0.000	0.000
331	A	679	ASN	0	0.018	-0.002	45.299	0.005	0.005	0.000	0.000	0.000	0.000
332	A	680	SER	0	0.011	0.003	45.299	-0.001	-0.001	0.000	0.000	0.000	0.000
333	A	681	ASN	0	0.072	0.017	44.062	0.001	0.001	0.000	0.000	0.000	0.000
334	A	682	MET	0	0.012	0.007	40.435	0.000	0.000	0.000	0.000	0.000	0.000
335	A	683	ASN	0	0.012	0.000	40.413	-0.008	-0.008	0.000	0.000	0.000	0.000
336	A	684	HIS	0	0.024	0.026	37.989	-0.003	-0.003	0.000	0.000	0.000	0.000
337	A	685	PHE	0	0.031	0.020	33.563	-0.001	-0.001	0.000	0.000	0.000	0.000
338	A	686	PHE	0	0.023	0.000	35.385	-0.006	-0.006	0.000	0.000	0.000	0.000
339	A	687	ILE	0	0.035	0.024	35.430	-0.007	-0.007	0.000	0.000	0.000	0.000
340	A	688	SER	0	0.041	0.024	32.170	0.000	0.000	0.000	0.000	0.000	0.000
341	A	689	ASP	-1	-0.781	-0.858	31.152	-0.140	-0.140	0.000	0.000	0.000	0.000
342	A	690	ILE	0	-0.119	-0.058	30.657	-0.012	-0.012	0.000	0.000	0.000	0.000
343	A	691	CYS	0	-0.046	-0.026	31.122	-0.001	-0.001	0.000	0.000	0.000	0.000
344	A	692	SER	0	0.004	0.000	26.835	0.001	0.001	0.000	0.000	0.000	0.000
345	A	693	GLY	0	-0.058	-0.045	23.963	-0.012	-0.012	0.000	0.000	0.000	0.000
346	A	694	ARG	1	0.746	0.862	24.246	0.094	0.094	0.000	0.000	0.000	0.000
347	A	695	LEU	0	0.001	0.013	24.023	0.001	0.001	0.000	0.000	0.000	0.000
348	A	696	ILE	0	0.003	-0.005	27.833	0.009	0.009	0.000	0.000	0.000	0.000
349	A	697	CYS	0	-0.007	-0.001	30.584	0.005	0.005	0.000	0.000	0.000	0.000
350	A	698	ASP	-1	-0.768	-0.886	32.459	-0.007	-0.007	0.000	0.000	0.000	0.000
351	A	699	ILE	0	0.002	-0.004	36.212	0.001	0.001	0.000	0.000	0.000	0.000
352	A	700	ALA	0	0.002	0.002	37.975	0.003	0.003	0.000	0.000	0.000	0.000
353	A	701	ASN	0	-0.052	-0.017	35.580	0.002	0.002	0.000	0.000	0.000	0.000
354	A	702	GLU	-1	-0.841	-0.934	39.216	-0.013	-0.013	0.000	0.000	0.000	0.000
355	A	703	MET	0	0.019	0.017	33.589	0.003	0.003	0.000	0.000	0.000	0.000
356	A	704	GLY	0	0.048	0.029	37.062	0.006	0.006	0.000	0.000	0.000	0.000
357	A	705	GLN	0	-0.047	-0.036	38.133	0.005	0.005	0.000	0.000	0.000	0.000
358	A	706	SER	0	-0.123	-0.061	37.994	0.004	0.004	0.000	0.000	0.000	0.000
359	A	707	LEU	0	-0.017	-0.004	34.414	0.003	0.003	0.000	0.000	0.000	0.000
360	A	708	THR	0	-0.023	-0.023	39.093	0.004	0.004	0.000	0.000	0.000	0.000
361	A	709	PRO	0	0.048	0.021	42.368	-0.003	-0.003	0.000	0.000	0.000	0.000
362	A	710	LYS	1	0.905	0.954	45.220	-0.033	-0.033	0.000	0.000	0.000	0.000
363	A	711	CYS	0	-0.076	-0.020	45.894	0.001	0.001	0.000	0.000	0.000	0.000
364	A	712	GLN	0	-0.034	-0.025	47.886	-0.002	-0.002	0.000	0.000	0.000	0.000
365	A	713	SER	0	-0.084	-0.065	50.197	-0.002	-0.002	0.000	0.000	0.000	0.000
366	A	714	TRP	0	0.029	0.002	43.610	-0.004	-0.004	0.000	0.000	0.000	0.000
367	A	715	ASP	-1	-0.849	-0.891	45.785	0.001	0.001	0.000	0.000	0.000	0.000
368	A	716	LEU	0	-0.004	0.005	42.391	0.002	0.002	0.000	0.000	0.000	0.000
369	A	717	SER	0	0.024	0.004	45.753	0.002	0.002	0.000	0.000	0.000	0.000
370	A	718	GLU	-1	-0.751	-0.862	48.346	0.017	0.017	0.000	0.000	0.000	0.000
371	A	719	MET	0	0.017	0.002	41.036	0.001	0.001	0.000	0.000	0.000	0.000
372	A	720	TYR	0	0.016	0.017	42.674	0.004	0.004	0.000	0.000	0.000	0.000
373	A	721	GLN	0	0.004	0.010	45.018	0.002	0.002	0.000	0.000	0.000	0.000
374	A	722	VAL	0	-0.030	-0.029	45.264	0.003	0.003	0.000	0.000	0.000	0.000
375	A	723	THR	0	-0.031	-0.031	41.121	0.003	0.003	0.000	0.000	0.000	0.000
376	A	724	CYS	0	-0.068	-0.031	41.537	0.005	0.005	0.000	0.000	0.000	0.000
377	A	725	GLU	-1	-0.947	-0.953	43.682	0.051	0.051	0.000	0.000	0.000	0.000
378	A	726	LYS	1	0.897	0.954	44.671	-0.050	-0.050	0.000	0.000	0.000	0.000
379	A	727	GLU	-1	-0.801	-0.874	48.060	0.022	0.022	0.000	0.000	0.000	0.000
380	A	728	HIS	0	-0.027	-0.031	48.286	0.003	0.003	0.000	0.000	0.000	0.000
381	A	729	LYS	1	0.773	0.860	50.517	-0.024	-0.024	0.000	0.000	0.000	0.000
382	A	730	PRO	0	-0.008	0.012	51.033	0.000	0.000	0.000	0.000	0.000	0.000
383	A	731	LEU	0	-0.003	0.000	52.522	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	732	ASP	-1	-0.864	-0.915	53.194	-0.003	-0.003	0.000	0.000	0.000	0.000
385	A	733	ILE	0	-0.031	-0.006	52.044	0.000	0.000	0.000	0.000	0.000	0.000
386	A	734	ASP	-1	-0.799	-0.905	54.328	-0.010	-0.010	0.000	0.000	0.000	0.000
387	A	735	TYR	0	-0.022	-0.046	50.380	0.001	0.001	0.000	0.000	0.000	0.000
388	A	736	GLN	0	-0.052	-0.034	55.979	-0.002	-0.002	0.000	0.000	0.000	0.000
389	A	737	ASN	0	-0.034	-0.002	58.864	0.000	0.000	0.000	0.000	0.000	0.000
390	A	738	PRO	0	0.066	0.010	60.262	0.000	0.000	0.000	0.000	0.000	0.000
391	A	739	GLN	0	-0.035	-0.014	60.379	-0.001	-0.001	0.000	0.000	0.000	0.000
392	A	740	TYR	0	0.011	-0.002	56.008	0.001	0.001	0.000	0.000	0.000	0.000
393	A	741	GLN	0	-0.042	-0.013	57.331	-0.001	-0.001	0.000	0.000	0.000	0.000
394	A	742	ASN	0	-0.017	-0.023	59.512	-0.001	-0.001	0.000	0.000	0.000	0.000
395	A	743	ASP	-1	-0.805	-0.866	60.771	0.005	0.005	0.000	0.000	0.000	0.000
396	A	744	VAL	0	0.016	0.005	56.210	0.000	0.000	0.000	0.000	0.000	0.000
397	A	745	ASN	0	0.020	0.016	56.210	0.002	0.002	0.000	0.000	0.000	0.000
398	A	746	SER	0	-0.009	-0.028	56.552	0.001	0.001	0.000	0.000	0.000	0.000
399	A	747	MET	0	-0.018	-0.003	52.824	0.000	0.000	0.000	0.000	0.000	0.000
400	A	748	THR	0	-0.030	-0.030	51.791	0.000	0.000	0.000	0.000	0.000	0.000
401	A	749	MET	0	0.004	-0.001	51.569	0.001	0.001	0.000	0.000	0.000	0.000
402	A	750	ALA	0	0.025	0.022	52.065	0.001	0.001	0.000	0.000	0.000	0.000
403	A	751	LEU	0	0.013	0.000	47.297	0.000	0.000	0.000	0.000	0.000	0.000
404	A	752	GLN	0	0.032	0.017	47.205	0.001	0.001	0.000	0.000	0.000	0.000
405	A	753	GLU	-1	-0.784	-0.868	47.489	0.014	0.014	0.000	0.000	0.000	0.000
406	A	754	ASN	0	-0.051	-0.024	43.486	0.000	0.000	0.000	0.000	0.000	0.000
407	A	755	ILE	0	0.005	-0.009	42.493	0.001	0.001	0.000	0.000	0.000	0.000
408	A	756	THR	0	-0.012	-0.015	42.688	0.004	0.004	0.000	0.000	0.000	0.000
409	A	757	ASN	0	0.003	-0.015	43.522	0.004	0.004	0.000	0.000	0.000	0.000
410	A	758	CYS	0	-0.070	-0.008	38.674	0.002	0.002	0.000	0.000	0.000	0.000
411	A	759	MET	0	0.028	0.008	38.424	0.001	0.001	0.000	0.000	0.000	0.000
412	A	760	ILE	0	-0.005	0.018	39.305	0.005	0.005	0.000	0.000	0.000	0.000
413	A	761	SER	0	-0.004	-0.015	38.683	0.001	0.001	0.000	0.000	0.000	0.000
414	A	762	ALA	0	-0.018	0.000	34.871	0.001	0.001	0.000	0.000	0.000	0.000
415	A	763	GLU	-1	-0.752	-0.855	35.530	0.069	0.069	0.000	0.000	0.000	0.000
416	A	764	VAL	0	0.022	0.003	37.224	0.004	0.004	0.000	0.000	0.000	0.000
417	A	765	SER	0	-0.070	-0.053	33.950	0.002	0.002	0.000	0.000	0.000	0.000
418	A	766	TYR	0	-0.010	-0.027	30.671	0.002	0.002	0.000	0.000	0.000	0.000
419	A	767	ARG	1	0.822	0.909	33.692	-0.059	-0.059	0.000	0.000	0.000	0.000
420	A	768	ILE	0	-0.026	-0.021	35.791	0.003	0.003	0.000	0.000	0.000	0.000
421	A	769	GLN	0	-0.035	-0.013	31.751	0.007	0.007	0.000	0.000	0.000	0.000
422	A	770	LEU	0	0.061	0.032	31.950	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	771	LEU	0	0.029	0.024	27.071	-0.006	-0.006	0.000	0.000	0.000	0.000
424	A	772	THR	0	0.070	0.025	26.023	-0.008	-0.008	0.000	0.000	0.000	0.000
425	A	773	LEU	0	0.026	0.025	27.419	0.000	0.000	0.000	0.000	0.000	0.000
426	A	774	THR	0	0.028	-0.008	29.112	-0.006	-0.006	0.000	0.000	0.000	0.000
427	A	775	LYS	1	0.844	0.954	19.607	-0.092	-0.092	0.000	0.000	0.000	0.000
428	A	776	GLN	0	0.015	0.006	23.667	-0.009	-0.009	0.000	0.000	0.000	0.000
429	A	777	LEU	0	-0.017	-0.012	26.380	-0.005	-0.005	0.000	0.000	0.000	0.000
430	A	778	THR	0	-0.007	-0.004	24.431	-0.012	-0.012	0.000	0.000	0.000	0.000
431	A	779	ASN	0	-0.098	-0.056	20.288	0.007	0.007	0.000	0.000	0.000	0.000
432	A	780	LEU	0	-0.050	-0.018	23.749	0.000	0.000	0.000	0.000	0.000	0.000
433	A	781	ALA	0	-0.011	-0.004	26.725	-0.004	-0.004	0.000	0.000	0.000	0.000
434	A	782	GLY	0	0.015	0.001	24.068	-0.009	-0.009	0.000	0.000	0.000	0.000
435	A	783	ASN	0	0.039	0.009	24.956	-0.011	-0.011	0.000	0.000	0.000	0.000
436	A	784	ALA	0	0.013	0.005	24.511	-0.002	-0.002	0.000	0.000	0.000	0.000
437	A	785	TRP	0	0.022	-0.016	21.716	0.010	0.010	0.000	0.000	0.000	0.000
438	A	786	ALA	0	0.060	0.021	25.969	0.011	0.011	0.000	0.000	0.000	0.000
439	A	787	GLN	0	0.014	0.003	28.360	0.012	0.012	0.000	0.000	0.000	0.000
440	A	788	THR	0	-0.067	-0.031	28.344	0.003	0.003	0.000	0.000	0.000	0.000
441	A	789	LEU	0	-0.038	-0.015	28.292	0.006	0.006	0.000	0.000	0.000	0.000
442	A	790	GLY	0	0.029	0.030	31.837	0.005	0.005	0.000	0.000	0.000	0.000
443	A	791	GLY	0	0.007	0.027	34.068	-0.004	-0.004	0.000	0.000	0.000	0.000
444	A	792	THR	0	0.009	0.010	35.536	0.004	0.004	0.000	0.000	0.000	0.000
445	A	793	ARG	1	0.934	0.957	35.755	-0.003	-0.003	0.000	0.000	0.000	0.000
446	A	794	ALA	0	0.006	0.009	35.672	-0.001	-0.001	0.000	0.000	0.000	0.000
447	A	795	GLY	0	0.065	0.040	33.344	-0.003	-0.003	0.000	0.000	0.000	0.000
448	A	796	ARG	1	0.965	0.972	30.333	0.003	0.003	0.000	0.000	0.000	0.000
449	A	797	ASN	0	0.012	0.013	32.074	0.002	0.002	0.000	0.000	0.000	0.000
450	A	798	GLU	-1	-0.769	-0.852	33.103	-0.075	-0.075	0.000	0.000	0.000	0.000
451	A	799	TYR	0	-0.020	-0.045	27.090	-0.006	-0.006	0.000	0.000	0.000	0.000
452	A	800	ILE	0	-0.002	0.010	29.186	-0.003	-0.003	0.000	0.000	0.000	0.000
453	A	801	LEU	0	0.007	0.009	30.296	0.002	0.002	0.000	0.000	0.000	0.000
454	A	802	LEU	0	-0.012	0.011	29.827	-0.003	-0.003	0.000	0.000	0.000	0.000
455	A	803	HIS	0	0.013	0.024	23.163	-0.007	-0.007	0.000	0.000	0.000	0.000
456	A	804	GLU	-1	-0.885	-0.922	27.754	-0.020	-0.020	0.000	0.000	0.000	0.000
457	A	805	PHE	0	0.032	0.005	30.008	0.000	0.000	0.000	0.000	0.000	0.000
458	A	806	SER	0	0.001	-0.015	28.070	-0.004	-0.004	0.000	0.000	0.000	0.000
459	A	807	ARG	1	0.821	0.898	22.883	0.055	0.055	0.000	0.000	0.000	0.000
460	A	808	ASN	0	-0.052	-0.020	27.853	0.008	0.008	0.000	0.000	0.000	0.000
461	A	809	GLY	0	0.031	0.018	30.593	0.005	0.005	0.000	0.000	0.000	0.000
462	A	810	PHE	0	0.012	-0.002	32.331	0.003	0.003	0.000	0.000	0.000	0.000
463	A	811	ILE	0	-0.007	0.004	33.205	-0.008	-0.008	0.000	0.000	0.000	0.000
464	A	812	VAL	0	-0.049	-0.024	32.310	0.007	0.007	0.000	0.000	0.000	0.000
465	A	813	PRO	0	0.037	0.021	35.317	-0.005	-0.005	0.000	0.000	0.000	0.000
466	A	814	ASP	-1	-0.794	-0.885	36.273	-0.096	-0.096	0.000	0.000	0.000	0.000
467	A	815	LYS	1	0.776	0.870	32.564	0.095	0.095	0.000	0.000	0.000	0.000
468	A	848	VAL	0	-0.053	-0.043	55.910	0.000	0.000	0.000	0.000	0.000	0.000
469	A	849	PHE	0	-0.031	-0.013	58.248	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	850	GLU	-1	-0.890	-0.959	60.628	0.004	0.004	0.000	0.000	0.000	0.000
471	A	851	PRO	0	-0.074	-0.024	61.072	0.001	0.001	0.000	0.000	0.000	0.000
472	A	852	GLU	-1	-0.885	-0.941	62.779	0.009	0.009	0.000	0.000	0.000	0.000
473	A	853	LYS	1	0.805	0.901	64.663	-0.005	-0.005	0.000	0.000	0.000	0.000
474	A	854	GLY	0	0.047	0.024	66.499	0.000	0.000	0.000	0.000	0.000	0.000
475	A	855	LEU	0	-0.032	-0.015	66.285	0.001	0.001	0.000	0.000	0.000	0.000
476	A	856	HIS	1	0.795	0.895	64.210	-0.016	-0.016	0.000	0.000	0.000	0.000
477	A	857	LYS	1	0.981	0.971	65.393	-0.016	-0.016	0.000	0.000	0.000	0.000
478	A	858	ASN	0	-0.020	-0.001	65.385	0.001	0.001	0.000	0.000	0.000	0.000
479	A	859	TYR	0	0.014	0.002	58.959	0.000	0.000	0.000	0.000	0.000	0.000
480	A	860	VAL	0	-0.020	0.008	58.657	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	861	LEU	0	-0.017	0.003	55.049	0.001	0.001	0.000	0.000	0.000	0.000
482	A	862	VAL	0	-0.020	-0.009	51.717	-0.002	-0.002	0.000	0.000	0.000	0.000
483	A	863	MET	0	0.004	0.001	51.580	0.003	0.003	0.000	0.000	0.000	0.000
484	A	864	ASP	-1	-0.791	-0.887	44.907	0.027	0.027	0.000	0.000	0.000	0.000
485	A	865	PHE	0	0.038	-0.014	48.232	0.002	0.002	0.000	0.000	0.000	0.000
486	A	866	ASN	0	-0.036	-0.039	43.375	-0.004	-0.004	0.000	0.000	0.000	0.000
487	A	867	SER	0	-0.066	-0.024	42.986	-0.003	-0.003	0.000	0.000	0.000	0.000
488	A	868	LEU	0	0.044	0.022	44.112	0.000	0.000	0.000	0.000	0.000	0.000
489	A	869	TYR	0	0.057	0.020	44.869	0.000	0.000	0.000	0.000	0.000	0.000
490	A	870	PRO	0	-0.018	-0.003	40.576	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	871	SER	0	-0.023	-0.012	42.295	0.001	0.001	0.000	0.000	0.000	0.000
492	A	872	ILE	0	0.019	0.018	44.527	0.000	0.000	0.000	0.000	0.000	0.000
493	A	873	ILE	0	-0.015	-0.016	41.356	-0.001	-0.001	0.000	0.000	0.000	0.000
494	A	874	GLN	0	-0.025	-0.019	39.631	0.001	0.001	0.000	0.000	0.000	0.000
495	A	875	GLU	-1	-0.809	-0.875	42.844	0.020	0.020	0.000	0.000	0.000	0.000
496	A	876	PHE	0	-0.036	-0.032	46.252	0.000	0.000	0.000	0.000	0.000	0.000
497	A	877	ASN	0	0.024	0.019	42.943	-0.003	-0.003	0.000	0.000	0.000	0.000
498	A	878	ILE	0	0.020	0.026	44.656	-0.003	-0.003	0.000	0.000	0.000	0.000
499	A	879	CYM	-1	-0.880	-0.824	40.126	-0.021	-0.021	0.000	0.000	0.000	0.000
500	A	880	PHE	0	-0.012	-0.026	39.228	0.000	0.000	0.000	0.000	0.000	0.000
501	A	881	THR	0	-0.037	-0.106	38.838	-0.002	-0.002	0.000	0.000	0.000	0.000
502	A	882	THR	0	-0.023	-0.013	42.231	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	883	VAL	0	-0.027	-0.006	45.001	0.002	0.002	0.000	0.000	0.000	0.000
504	A	884	ASP	-1	-0.880	-0.924	47.832	-0.025	-0.025	0.000	0.000	0.000	0.000
505	A	885	ARG	1	0.665	0.777	43.899	0.033	0.033	0.000	0.000	0.000	0.000
506	A	886	ASN	0	0.022	-0.004	51.134	-0.004	-0.004	0.000	0.000	0.000	0.000
507	A	887	LYS	1	0.842	0.937	45.563	0.043	0.043	0.000	0.000	0.000	0.000
508	A	888	GLU	-1	-0.920	-0.944	51.141	-0.039	-0.039	0.000	0.000	0.000	0.000
509	A	889	ASP	-1	-0.895	-0.948	54.297	-0.024	-0.024	0.000	0.000	0.000	0.000
510	A	890	ILE	0	-0.020	-0.020	50.480	0.001	0.001	0.000	0.000	0.000	0.000
511	A	891	ASP	-1	-0.860	-0.923	53.186	-0.021	-0.021	0.000	0.000	0.000	0.000
512	A	892	GLU	-1	-0.883	-0.914	55.870	-0.019	-0.019	0.000	0.000	0.000	0.000
513	A	893	LEU	0	-0.076	-0.043	54.368	0.000	0.000	0.000	0.000	0.000	0.000
514	A	894	PRO	0	0.036	0.034	51.179	0.000	0.000	0.000	0.000	0.000	0.000
515	A	895	SER	0	-0.018	-0.026	53.604	0.002	0.002	0.000	0.000	0.000	0.000
516	A	896	VAL	0	-0.048	-0.029	50.282	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	897	PRO	0	0.013	0.020	46.910	0.000	0.000	0.000	0.000	0.000	0.000
518	A	898	PRO	0	0.010	0.007	50.134	0.002	0.002	0.000	0.000	0.000	0.000
519	A	899	SER	0	-0.032	-0.042	49.488	0.000	0.000	0.000	0.000	0.000	0.000
520	A	900	GLU	-1	-0.919	-0.947	48.475	0.001	0.001	0.000	0.000	0.000	0.000
521	A	901	VAL	0	-0.049	-0.014	45.067	-0.001	-0.001	0.000	0.000	0.000	0.000
522	A	902	ASP	-1	-0.887	-0.935	41.385	-0.002	-0.002	0.000	0.000	0.000	0.000
523	A	903	GLN	0	-0.046	-0.033	38.272	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	904	GLY	0	0.062	0.024	39.577	-0.002	-0.002	0.000	0.000	0.000	0.000
525	A	905	VAL	0	-0.014	-0.026	34.036	0.004	0.004	0.000	0.000	0.000	0.000
526	A	906	LEU	0	0.041	-0.004	35.760	0.004	0.004	0.000	0.000	0.000	0.000
527	A	907	PRO	0	0.008	0.007	37.415	0.005	0.005	0.000	0.000	0.000	0.000
528	A	908	ARG	1	0.894	0.950	32.185	0.017	0.017	0.000	0.000	0.000	0.000
529	A	909	LEU	0	-0.037	-0.012	31.174	0.007	0.007	0.000	0.000	0.000	0.000
530	A	910	LEU	0	-0.027	-0.027	33.891	0.008	0.008	0.000	0.000	0.000	0.000
531	A	911	ALA	0	0.028	0.021	36.352	0.006	0.006	0.000	0.000	0.000	0.000
532	A	912	ASN	0	0.031	0.017	28.999	0.016	0.016	0.000	0.000	0.000	0.000
533	A	913	LEU	0	-0.058	-0.026	30.831	0.011	0.011	0.000	0.000	0.000	0.000
534	A	914	VAL	0	-0.018	-0.016	33.218	0.008	0.008	0.000	0.000	0.000	0.000
535	A	915	ASP	-1	-0.883	-0.936	34.194	0.059	0.059	0.000	0.000	0.000	0.000
536	A	916	ARG	1	0.960	0.978	25.432	-0.062	-0.062	0.000	0.000	0.000	0.000
537	A	917	ARG	1	0.868	0.935	31.738	-0.046	-0.046	0.000	0.000	0.000	0.000
538	A	918	ARG	1	0.815	0.876	33.854	-0.045	-0.045	0.000	0.000	0.000	0.000
539	A	919	GLU	-1	-0.926	-0.967	29.709	0.110	0.110	0.000	0.000	0.000	0.000
540	A	920	VAL	0	-0.009	-0.002	29.456	0.010	0.010	0.000	0.000	0.000	0.000
541	A	921	LYS	1	0.903	0.938	32.060	-0.078	-0.078	0.000	0.000	0.000	0.000
542	A	922	LYS	1	0.871	0.946	34.701	-0.089	-0.089	0.000	0.000	0.000	0.000
543	A	923	VAL	0	0.047	0.023	29.537	0.003	0.003	0.000	0.000	0.000	0.000
544	A	924	MET	0	-0.044	-0.007	32.984	0.002	0.002	0.000	0.000	0.000	0.000
545	A	925	LYS	1	0.888	0.943	34.597	-0.087	-0.087	0.000	0.000	0.000	0.000
546	A	926	THR	0	-0.002	0.012	34.487	-0.004	-0.004	0.000	0.000	0.000	0.000
547	A	927	GLU	-1	-0.838	-0.902	29.911	0.212	0.212	0.000	0.000	0.000	0.000
548	A	928	THR	0	-0.012	-0.015	33.119	-0.008	-0.008	0.000	0.000	0.000	0.000
549	A	929	ASP	-1	-0.789	-0.890	28.742	0.209	0.209	0.000	0.000	0.000	0.000
550	A	930	PRO	0	0.029	-0.003	31.932	-0.004	-0.004	0.000	0.000	0.000	0.000
551	A	931	HIS	0	-0.018	-0.009	27.334	-0.008	-0.008	0.000	0.000	0.000	0.000
552	A	932	LYS	1	0.935	0.960	25.980	-0.257	-0.257	0.000	0.000	0.000	0.000
553	A	933	ARG	1	0.880	0.956	28.535	-0.134	-0.134	0.000	0.000	0.000	0.000
554	A	934	VAL	0	0.019	0.003	30.940	-0.011	-0.011	0.000	0.000	0.000	0.000
555	A	935	GLN	0	0.005	0.009	23.094	-0.004	-0.004	0.000	0.000	0.000	0.000
556	A	936	CYS	0	-0.050	-0.035	28.716	-0.009	-0.009	0.000	0.000	0.000	0.000
557	A	937	ASP	-1	-0.779	-0.895	30.326	0.072	0.072	0.000	0.000	0.000	0.000
558	A	938	ILE	0	0.023	0.021	28.635	-0.011	-0.011	0.000	0.000	0.000	0.000
559	A	939	ARG	1	0.896	0.945	25.513	-0.103	-0.103	0.000	0.000	0.000	0.000
560	A	940	GLN	0	0.002	-0.011	29.478	-0.017	-0.017	0.000	0.000	0.000	0.000
561	A	941	GLN	0	-0.030	-0.023	32.940	-0.013	-0.013	0.000	0.000	0.000	0.000
562	A	942	ALA	0	0.031	0.017	29.938	-0.009	-0.009	0.000	0.000	0.000	0.000
563	A	943	LEU	0	0.000	0.005	29.342	-0.009	-0.009	0.000	0.000	0.000	0.000
564	A	944	LYS	1	0.867	0.938	32.494	-0.044	-0.044	0.000	0.000	0.000	0.000
565	A	945	LEU	0	-0.023	-0.018	34.441	-0.006	-0.006	0.000	0.000	0.000	0.000
566	A	946	THR	0	-0.027	-0.027	31.297	-0.008	-0.008	0.000	0.000	0.000	0.000
567	A	947	ALA	0	0.042	0.021	34.171	-0.006	-0.006	0.000	0.000	0.000	0.000
568	A	948	ASN	0	0.010	-0.009	36.708	-0.004	-0.004	0.000	0.000	0.000	0.000
569	A	949	SER	0	-0.083	-0.059	36.506	-0.003	-0.003	0.000	0.000	0.000	0.000
570	A	950	MET	0	0.038	0.023	34.981	-0.005	-0.005	0.000	0.000	0.000	0.000
571	A	951	TYR	0	0.029	0.024	38.363	-0.005	-0.005	0.000	0.000	0.000	0.000
572	A	952	GLY	0	-0.002	-0.012	40.871	-0.003	-0.003	0.000	0.000	0.000	0.000
573	A	953	CYS	0	-0.067	-0.022	36.395	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	954	LEU	0	0.077	0.053	39.598	-0.004	-0.004	0.000	0.000	0.000	0.000
575	A	955	GLY	0	0.014	0.022	42.888	0.000	0.000	0.000	0.000	0.000	0.000
576	A	956	TYR	0	-0.066	-0.032	41.489	0.001	0.001	0.000	0.000	0.000	0.000
577	A	957	VAL	0	0.066	0.023	44.336	-0.003	-0.003	0.000	0.000	0.000	0.000
578	A	958	ASN	0	-0.052	-0.022	43.702	-0.002	-0.002	0.000	0.000	0.000	0.000
579	A	959	SER	0	-0.070	-0.051	40.125	-0.005	-0.005	0.000	0.000	0.000	0.000
580	A	960	ARG	1	0.765	0.848	32.875	0.087	0.087	0.000	0.000	0.000	0.000
581	A	961	PHE	0	-0.028	-0.022	34.160	-0.002	-0.002	0.000	0.000	0.000	0.000
582	A	962	TYR	0	-0.034	-0.006	40.079	0.004	0.004	0.000	0.000	0.000	0.000
583	A	963	ALA	0	0.078	0.030	43.640	-0.002	-0.002	0.000	0.000	0.000	0.000
584	A	964	LYS	1	0.796	0.893	46.041	0.025	0.025	0.000	0.000	0.000	0.000
585	A	965	PRO	0	0.105	0.049	48.914	0.003	0.003	0.000	0.000	0.000	0.000
586	A	966	LEU	0	0.027	0.014	44.064	0.003	0.003	0.000	0.000	0.000	0.000
587	A	967	ALA	0	-0.002	0.003	47.374	0.003	0.003	0.000	0.000	0.000	0.000
588	A	968	MET	0	-0.012	0.010	48.396	0.003	0.003	0.000	0.000	0.000	0.000
589	A	969	LEU	0	0.012	0.021	49.220	0.003	0.003	0.000	0.000	0.000	0.000
590	A	970	VAL	0	-0.011	-0.017	46.014	0.003	0.003	0.000	0.000	0.000	0.000
591	A	971	THR	0	-0.056	-0.056	49.371	0.003	0.003	0.000	0.000	0.000	0.000
592	A	972	ASN	0	-0.016	-0.015	51.735	0.002	0.002	0.000	0.000	0.000	0.000
593	A	973	LYS	1	0.884	0.931	51.513	0.000	0.000	0.000	0.000	0.000	0.000
594	A	974	GLY	0	0.026	0.011	51.978	0.002	0.002	0.000	0.000	0.000	0.000
595	A	975	ARG	1	0.910	0.955	52.538	0.006	0.006	0.000	0.000	0.000	0.000
596	A	976	GLU	-1	-0.810	-0.874	56.073	0.004	0.004	0.000	0.000	0.000	0.000
597	A	977	ILE	0	0.027	0.018	51.318	0.001	0.001	0.000	0.000	0.000	0.000
598	A	978	LEU	0	0.002	0.020	53.099	0.002	0.002	0.000	0.000	0.000	0.000
599	A	979	MET	0	-0.007	-0.014	56.272	0.001	0.001	0.000	0.000	0.000	0.000
600	A	980	ASN	0	-0.011	-0.024	57.679	0.000	0.000	0.000	0.000	0.000	0.000
601	A	981	THR	0	-0.032	-0.031	55.426	0.002	0.002	0.000	0.000	0.000	0.000
602	A	982	ARG	1	0.856	0.940	57.871	-0.009	-0.009	0.000	0.000	0.000	0.000
603	A	983	GLN	0	-0.014	-0.013	61.009	0.000	0.000	0.000	0.000	0.000	0.000
604	A	984	LEU	0	-0.009	0.002	57.428	0.001	0.001	0.000	0.000	0.000	0.000
605	A	985	ALA	0	0.025	0.024	59.960	0.001	0.001	0.000	0.000	0.000	0.000
606	A	986	GLU	-1	-0.818	-0.900	61.462	0.013	0.013	0.000	0.000	0.000	0.000
607	A	987	SER	0	-0.092	-0.043	62.920	0.000	0.000	0.000	0.000	0.000	0.000
608	A	988	MET	0	-0.072	-0.031	59.566	0.001	0.001	0.000	0.000	0.000	0.000
609	A	989	ASN	0	-0.076	-0.041	64.319	0.000	0.000	0.000	0.000	0.000	0.000
610	A	990	LEU	0	-0.016	0.001	60.484	0.001	0.001	0.000	0.000	0.000	0.000
611	A	991	LEU	0	0.023	0.011	64.102	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	992	VAL	0	-0.004	-0.006	59.651	0.001	0.001	0.000	0.000	0.000	0.000
613	A	993	VAL	0	-0.026	-0.001	60.868	-0.001	-0.001	0.000	0.000	0.000	0.000
614	A	994	TYR	0	0.011	-0.056	55.216	-0.002	-0.002	0.000	0.000	0.000	0.000
615	A	995	GLY	0	0.021	0.021	56.222	0.002	0.002	0.000	0.000	0.000	0.000
616	A	996	ASP	-1	-0.740	-0.828	52.611	0.008	0.008	0.000	0.000	0.000	0.000
617	A	997	THR	0	0.033	0.006	49.798	0.001	0.001	0.000	0.000	0.000	0.000
618	A	998	ASP	-1	-0.925	-0.952	47.899	0.008	0.008	0.000	0.000	0.000	0.000
619	A	999	SER	0	-0.084	-0.031	49.013	0.003	0.003	0.000	0.000	0.000	0.000
620	A	1000	VAL	0	0.036	0.016	51.676	-0.002	-0.002	0.000	0.000	0.000	0.000
621	A	1001	MET	0	-0.061	-0.018	54.975	0.002	0.002	0.000	0.000	0.000	0.000
622	A	1002	ILE	0	0.025	0.009	56.963	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	1003	ASP	-1	-0.811	-0.910	59.638	0.021	0.021	0.000	0.000	0.000	0.000
624	A	1004	THR	0	-0.025	-0.037	59.560	0.000	0.000	0.000	0.000	0.000	0.000
625	A	1005	GLY	0	0.049	0.029	62.445	0.000	0.000	0.000	0.000	0.000	0.000
626	A	1006	CYS	0	-0.064	-0.018	63.087	0.001	0.001	0.000	0.000	0.000	0.000
627	A	1007	ASP	-1	-0.864	-0.937	64.842	0.026	0.026	0.000	0.000	0.000	0.000
628	A	1008	ASN	0	0.009	-0.024	62.437	0.002	0.002	0.000	0.000	0.000	0.000
629	A	1009	TYR	0	0.032	0.016	52.665	0.000	0.000	0.000	0.000	0.000	0.000
630	A	1010	ALA	0	-0.003	-0.004	58.125	0.000	0.000	0.000	0.000	0.000	0.000
631	A	1011	ASP	-1	-0.796	-0.889	58.926	0.035	0.035	0.000	0.000	0.000	0.000
632	A	1012	ALA	0	0.053	0.036	59.084	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	1013	ILE	0	0.022	0.004	53.276	0.000	0.000	0.000	0.000	0.000	0.000
634	A	1014	LYS	1	0.813	0.899	55.674	-0.037	-0.037	0.000	0.000	0.000	0.000
635	A	1015	ILE	0	0.024	0.024	57.666	0.000	0.000	0.000	0.000	0.000	0.000
636	A	1016	GLY	0	0.053	0.013	55.580	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	1017	LEU	0	-0.056	-0.035	50.842	0.000	0.000	0.000	0.000	0.000	0.000
638	A	1018	GLY	0	-0.009	0.001	54.141	0.000	0.000	0.000	0.000	0.000	0.000
639	A	1019	PHE	0	0.050	0.011	55.376	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	1020	LYS	1	0.800	0.890	46.379	-0.045	-0.045	0.000	0.000	0.000	0.000
641	A	1021	ARG	1	0.842	0.897	52.282	-0.038	-0.038	0.000	0.000	0.000	0.000
642	A	1022	LEU	0	0.009	0.020	53.480	0.000	0.000	0.000	0.000	0.000	0.000
643	A	1023	VAL	0	0.027	0.000	51.843	-0.001	-0.001	0.000	0.000	0.000	0.000
644	A	1024	ASN	0	-0.077	-0.039	47.586	0.000	0.000	0.000	0.000	0.000	0.000
645	A	1025	GLU	-1	-0.864	-0.931	51.344	0.031	0.031	0.000	0.000	0.000	0.000
646	A	1026	ARG	1	0.833	0.937	53.869	-0.024	-0.024	0.000	0.000	0.000	0.000
647	A	1027	TYR	0	0.034	0.024	50.578	-0.002	-0.002	0.000	0.000	0.000	0.000
648	A	1028	ARG	1	0.917	0.934	44.728	-0.023	-0.023	0.000	0.000	0.000	0.000
649	A	1029	LEU	0	-0.021	-0.006	43.036	0.003	0.003	0.000	0.000	0.000	0.000
650	A	1030	LEU	0	-0.051	-0.011	44.963	0.000	0.000	0.000	0.000	0.000	0.000
651	A	1031	GLU	-1	-0.868	-0.905	43.021	0.048	0.048	0.000	0.000	0.000	0.000
652	A	1032	ILE	0	0.015	0.026	45.722	0.001	0.001	0.000	0.000	0.000	0.000
653	A	1033	ASP	-1	-0.850	-0.936	45.531	0.049	0.049	0.000	0.000	0.000	0.000
654	A	1034	ILE	0	-0.015	0.000	48.293	-0.003	-0.003	0.000	0.000	0.000	0.000
655	A	1035	ASP	-1	-0.963	-0.968	47.014	0.034	0.034	0.000	0.000	0.000	0.000
656	A	1036	ASN	0	-0.016	-0.020	49.022	0.002	0.002	0.000	0.000	0.000	0.000
657	A	1037	VAL	0	0.002	0.015	52.073	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	1038	PHE	0	-0.015	-0.018	55.100	0.001	0.001	0.000	0.000	0.000	0.000
659	A	1039	LYS	1	0.887	0.943	58.263	-0.030	-0.030	0.000	0.000	0.000	0.000
660	A	1040	LYS	1	0.895	0.953	61.081	-0.024	-0.024	0.000	0.000	0.000	0.000
661	A	1041	LEU	0	-0.011	-0.012	59.351	0.000	0.000	0.000	0.000	0.000	0.000
662	A	1042	LEU	0	0.022	0.022	62.522	-0.001	-0.001	0.000	0.000	0.000	0.000
663	A	1043	LEU	0	0.011	0.011	60.009	0.000	0.000	0.000	0.000	0.000	0.000
664	A	1044	HIS	0	0.045	0.019	62.211	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	1045	ALA	0	-0.003	-0.021	59.947	-0.001	-0.001	0.000	0.000	0.000	0.000
666	A	1046	LYS	1	0.908	0.962	51.168	-0.009	-0.009	0.000	0.000	0.000	0.000
667	A	1047	LYS	1	0.933	0.961	49.140	-0.006	-0.006	0.000	0.000	0.000	0.000
668	A	1048	LYS	1	0.887	0.932	55.862	-0.005	-0.005	0.000	0.000	0.000	0.000
669	A	1049	TYR	0	0.021	0.011	54.355	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	1050	ALA	0	0.028	0.018	59.440	0.000	0.000	0.000	0.000	0.000	0.000
671	A	1051	ALA	0	0.022	0.015	58.328	0.000	0.000	0.000	0.000	0.000	0.000
672	A	1052	LEU	0	0.022	0.028	59.342	0.000	0.000	0.000	0.000	0.000	0.000
673	A	1053	THR	0	0.014	0.016	54.126	0.000	0.000	0.000	0.000	0.000	0.000
674	A	1054	VAL	0	-0.016	-0.022	54.919	0.001	0.001	0.000	0.000	0.000	0.000
675	A	1055	ASN	0	-0.016	0.009	49.677	0.002	0.002	0.000	0.000	0.000	0.000
676	A	1063	THR	0	-0.004	-0.011	53.078	0.000	0.000	0.000	0.000	0.000	0.000
677	A	1064	THR	0	-0.032	-0.017	55.175	-0.001	-0.001	0.000	0.000	0.000	0.000
678	A	1065	VAL	0	0.024	0.007	54.020	0.000	0.000	0.000	0.000	0.000	0.000
679	A	1066	LEU	0	-0.010	0.010	57.185	-0.001	-0.001	0.000	0.000	0.000	0.000
680	A	1067	GLU	-1	-0.809	-0.905	52.298	0.026	0.026	0.000	0.000	0.000	0.000
681	A	1068	VAL	0	0.020	0.004	56.800	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	1069	LYS	1	0.842	0.940	51.212	-0.022	-0.022	0.000	0.000	0.000	0.000
683	A	1070	GLY	0	0.000	-0.007	56.418	-0.001	-0.001	0.000	0.000	0.000	0.000
684	A	1071	LEU	0	-0.027	-0.021	58.049	-0.002	-0.002	0.000	0.000	0.000	0.000
685	A	1072	ASP	-1	-0.803	-0.885	57.677	0.014	0.014	0.000	0.000	0.000	0.000
686	A	1073	MET	0	-0.046	-0.015	55.874	0.000	0.000	0.000	0.000	0.000	0.000
687	A	1074	LYS	1	0.825	0.887	59.272	0.000	0.000	0.000	0.000	0.000	0.000
688	A	1075	ARG	1	0.929	0.949	55.900	-0.011	-0.011	0.000	0.000	0.000	0.000
689	A	1076	ARG	1	0.921	0.949	55.767	-0.002	-0.002	0.000	0.000	0.000	0.000
690	A	1077	GLU	-1	-0.826	-0.893	62.917	0.000	0.000	0.000	0.000	0.000	0.000
691	A	1078	PHE	0	0.004	0.028	65.763	0.000	0.000	0.000	0.000	0.000	0.000
692	A	1079	CYS	0	-0.056	0.001	66.364	0.001	0.001	0.000	0.000	0.000	0.000
693	A	1080	PRO	0	-0.048	-0.049	66.126	0.001	0.001	0.000	0.000	0.000	0.000
694	A	1081	LEU	0	0.076	0.051	67.547	0.001	0.001	0.000	0.000	0.000	0.000
695	A	1082	SER	0	0.008	-0.009	69.242	0.001	0.001	0.000	0.000	0.000	0.000
696	A	1083	ARG	1	0.865	0.920	63.118	-0.010	-0.010	0.000	0.000	0.000	0.000
697	A	1084	ASP	-1	-0.825	-0.898	66.265	0.016	0.016	0.000	0.000	0.000	0.000
698	A	1085	VAL	0	-0.001	0.001	67.930	0.001	0.001	0.000	0.000	0.000	0.000
699	A	1086	SER	0	-0.013	-0.013	66.797	0.000	0.000	0.000	0.000	0.000	0.000
700	A	1087	ILE	0	-0.015	-0.012	62.448	0.001	0.001	0.000	0.000	0.000	0.000
701	A	1088	HIS	0	0.000	0.016	65.831	0.002	0.002	0.000	0.000	0.000	0.000
702	A	1089	VAL	0	0.037	0.019	68.656	0.000	0.000	0.000	0.000	0.000	0.000
703	A	1090	LEU	0	-0.014	-0.001	63.678	0.000	0.000	0.000	0.000	0.000	0.000
704	A	1091	ASN	0	-0.038	-0.027	63.936	0.002	0.002	0.000	0.000	0.000	0.000
705	A	1092	THR	0	0.019	0.006	66.518	0.001	0.001	0.000	0.000	0.000	0.000
706	A	1093	ILE	0	-0.012	0.001	68.816	0.000	0.000	0.000	0.000	0.000	0.000
707	A	1094	LEU	0	-0.087	-0.051	63.189	0.000	0.000	0.000	0.000	0.000	0.000
708	A	1095	SER	0	0.021	0.016	66.154	0.002	0.002	0.000	0.000	0.000	0.000
709	A	1096	ASP	-1	-0.855	-0.916	66.765	0.026	0.026	0.000	0.000	0.000	0.000
710	A	1097	LYS	1	0.808	0.894	68.895	-0.020	-0.020	0.000	0.000	0.000	0.000
711	A	1098	ASP	-1	-0.813	-0.905	72.565	0.018	0.018	0.000	0.000	0.000	0.000
712	A	1099	PRO	0	-0.050	-0.053	74.006	0.000	0.000	0.000	0.000	0.000	0.000
713	A	1100	GLU	-1	-0.969	-0.966	75.370	0.013	0.013	0.000	0.000	0.000	0.000
714	A	1101	GLU	-1	-0.854	-0.922	76.732	0.019	0.019	0.000	0.000	0.000	0.000
715	A	1102	ALA	0	0.027	0.006	73.274	0.000	0.000	0.000	0.000	0.000	0.000
716	A	1103	LEU	0	-0.050	-0.026	75.374	0.000	0.000	0.000	0.000	0.000	0.000
717	A	1104	GLN	0	-0.026	-0.028	76.861	-0.001	-0.001	0.000	0.000	0.000	0.000
718	A	1105	GLU	-1	-0.833	-0.904	73.870	0.019	0.019	0.000	0.000	0.000	0.000
719	A	1106	VAL	0	-0.051	-0.026	73.619	0.000	0.000	0.000	0.000	0.000	0.000
720	A	1107	TYR	0	-0.017	-0.009	76.331	-0.001	-0.001	0.000	0.000	0.000	0.000
721	A	1108	ASP	-1	-0.823	-0.898	79.619	0.014	0.014	0.000	0.000	0.000	0.000
722	A	1109	TYR	0	-0.042	-0.017	71.747	0.000	0.000	0.000	0.000	0.000	0.000
723	A	1110	LEU	0	-0.015	-0.024	75.112	0.000	0.000	0.000	0.000	0.000	0.000
724	A	1111	GLU	-1	-0.821	-0.882	78.370	0.009	0.009	0.000	0.000	0.000	0.000
725	A	1112	ASP	-1	-0.777	-0.870	79.155	0.013	0.013	0.000	0.000	0.000	0.000
726	A	1113	ILE	0	-0.037	-0.032	75.382	0.000	0.000	0.000	0.000	0.000	0.000
727	A	1114	ARG	1	0.756	0.853	78.869	-0.009	-0.009	0.000	0.000	0.000	0.000
728	A	1115	ILE	0	0.045	0.025	81.611	-0.001	-0.001	0.000	0.000	0.000	0.000
729	A	1116	LYS	1	0.804	0.899	78.555	-0.014	-0.014	0.000	0.000	0.000	0.000
730	A	1117	VAL	0	-0.037	-0.019	78.161	0.000	0.000	0.000	0.000	0.000	0.000
731	A	1118	GLU	-1	-0.921	-0.949	80.865	0.007	0.007	0.000	0.000	0.000	0.000
732	A	1119	THR	0	-0.069	-0.050	84.354	0.000	0.000	0.000	0.000	0.000	0.000
733	A	1120	ASN	0	-0.056	-0.027	80.443	0.000	0.000	0.000	0.000	0.000	0.000
734	A	1121	ASN	0	-0.009	-0.004	80.310	0.000	0.000	0.000	0.000	0.000	0.000
735	A	1122	ILE	0	-0.007	0.010	74.858	0.001	0.001	0.000	0.000	0.000	0.000
736	A	1123	ARG	1	0.950	0.962	69.869	-0.017	-0.017	0.000	0.000	0.000	0.000
737	A	1124	ILE	0	0.107	0.032	74.529	0.000	0.000	0.000	0.000	0.000	0.000
738	A	1125	ASP	-1	-0.819	-0.900	69.047	0.011	0.011	0.000	0.000	0.000	0.000
739	A	1126	LYS	1	0.781	0.873	68.287	-0.015	-0.015	0.000	0.000	0.000	0.000
740	A	1127	TYR	0	0.090	0.052	71.120	0.000	0.000	0.000	0.000	0.000	0.000
741	A	1128	LYS	1	0.813	0.920	65.861	-0.012	-0.012	0.000	0.000	0.000	0.000
742	A	1129	ILE	0	0.020	0.010	68.041	0.000	0.000	0.000	0.000	0.000	0.000
743	A	1130	ASN	0	-0.005	0.010	63.529	-0.001	-0.001	0.000	0.000	0.000	0.000
744	A	1131	MET	0	0.018	0.001	64.975	0.000	0.000	0.000	0.000	0.000	0.000
745	A	1132	LYS	1	0.824	0.908	56.901	0.003	0.003	0.000	0.000	0.000	0.000
746	A	1133	LEU	0	-0.027	0.001	63.280	-0.001	-0.001	0.000	0.000	0.000	0.000
747	A	1134	SER	0	0.052	0.017	61.612	-0.001	-0.001	0.000	0.000	0.000	0.000
748	A	1135	LYS	1	0.986	0.991	62.239	0.013	0.013	0.000	0.000	0.000	0.000
749	A	1136	ASP	-1	-0.713	-0.854	64.954	-0.009	-0.009	0.000	0.000	0.000	0.000
750	A	1137	PRO	0	0.052	0.020	67.606	0.000	0.000	0.000	0.000	0.000	0.000
751	A	1138	LYS	1	0.928	0.957	70.652	0.010	0.010	0.000	0.000	0.000	0.000
752	A	1139	ALA	0	-0.018	0.002	69.186	0.000	0.000	0.000	0.000	0.000	0.000
753	A	1140	TYR	0	0.011	0.011	65.817	-0.001	-0.001	0.000	0.000	0.000	0.000
754	A	1141	PRO	0	0.021	0.011	69.878	0.001	0.001	0.000	0.000	0.000	0.000
755	A	1142	GLY	0	0.059	0.032	72.530	0.000	0.000	0.000	0.000	0.000	0.000
756	A	1143	GLY	0	0.045	0.007	73.723	0.001	0.001	0.000	0.000	0.000	0.000
757	A	1144	LYS	1	0.825	0.899	74.681	0.004	0.004	0.000	0.000	0.000	0.000
758	A	1145	ASN	0	0.022	0.013	75.591	0.001	0.001	0.000	0.000	0.000	0.000
759	A	1146	MET	0	-0.033	-0.003	69.691	0.001	0.001	0.000	0.000	0.000	0.000
760	A	1147	PRO	0	0.080	0.024	72.592	0.000	0.000	0.000	0.000	0.000	0.000
761	A	1148	ALA	0	0.007	0.014	69.195	0.000	0.000	0.000	0.000	0.000	0.000
762	A	1149	VAL	0	0.024	0.007	70.513	0.000	0.000	0.000	0.000	0.000	0.000
763	A	1150	GLN	0	0.002	0.008	72.485	0.000	0.000	0.000	0.000	0.000	0.000
764	A	1151	VAL	0	0.009	0.016	72.908	0.000	0.000	0.000	0.000	0.000	0.000
765	A	1152	ALA	0	0.008	0.006	70.678	0.000	0.000	0.000	0.000	0.000	0.000
766	A	1153	LEU	0	-0.040	-0.041	72.518	0.000	0.000	0.000	0.000	0.000	0.000
767	A	1154	ARG	1	0.882	0.942	75.318	0.000	0.000	0.000	0.000	0.000	0.000
768	A	1155	MET	0	-0.003	-0.003	71.524	0.000	0.000	0.000	0.000	0.000	0.000
769	A	1156	ARG	1	0.739	0.844	69.170	0.008	0.008	0.000	0.000	0.000	0.000
770	A	1157	LYS	1	0.922	0.960	75.250	0.005	0.005	0.000	0.000	0.000	0.000
771	A	1158	ALA	0	0.004	0.019	77.559	0.000	0.000	0.000	0.000	0.000	0.000
772	A	1159	GLY	0	0.044	0.020	76.711	0.000	0.000	0.000	0.000	0.000	0.000
773	A	1160	ARG	1	0.920	0.976	71.985	-0.001	-0.001	0.000	0.000	0.000	0.000
774	A	1161	VAL	0	0.016	0.010	67.798	-0.001	-0.001	0.000	0.000	0.000	0.000
775	A	1162	VAL	0	0.023	0.014	67.504	0.001	0.001	0.000	0.000	0.000	0.000
776	A	1163	LYS	1	0.932	0.961	64.626	0.010	0.010	0.000	0.000	0.000	0.000
777	A	1164	ALA	0	0.010	0.022	62.783	0.001	0.001	0.000	0.000	0.000	0.000
778	A	1165	GLY	0	0.052	0.027	60.438	-0.001	-0.001	0.000	0.000	0.000	0.000
779	A	1166	SER	0	-0.031	-0.034	60.975	0.001	0.001	0.000	0.000	0.000	0.000
780	A	1167	VAL	0	-0.006	-0.014	60.885	0.000	0.000	0.000	0.000	0.000	0.000
781	A	1168	ILE	0	-0.051	-0.016	64.025	0.000	0.000	0.000	0.000	0.000	0.000
782	A	1169	THR	0	0.021	-0.005	66.276	0.000	0.000	0.000	0.000	0.000	0.000
783	A	1170	PHE	0	-0.052	-0.032	68.684	0.000	0.000	0.000	0.000	0.000	0.000
784	A	1171	VAL	0	0.036	0.010	72.048	0.001	0.001	0.000	0.000	0.000	0.000
785	A	1172	ILE	0	-0.031	-0.006	74.831	-0.001	-0.001	0.000	0.000	0.000	0.000
786	A	1173	THR	0	0.005	-0.013	77.557	0.001	0.001	0.000	0.000	0.000	0.000
787	A	1174	LYS	1	0.992	0.991	80.920	-0.005	-0.005	0.000	0.000	0.000	0.000
788	A	1175	GLN	0	0.053	0.025	84.478	0.000	0.000	0.000	0.000	0.000	0.000
789	A	1186	ALA	0	-0.006	-0.008	88.751	0.000	0.000	0.000	0.000	0.000	0.000
790	A	1187	LEU	0	0.026	0.025	85.197	0.000	0.000	0.000	0.000	0.000	0.000
791	A	1188	SER	0	0.040	0.025	81.127	0.001	0.001	0.000	0.000	0.000	0.000
792	A	1189	VAL	0	0.030	0.004	77.378	0.000	0.000	0.000	0.000	0.000	0.000
793	A	1190	ALA	0	-0.014	-0.008	77.229	0.000	0.000	0.000	0.000	0.000	0.000
794	A	1191	GLU	-1	-0.850	-0.930	78.208	-0.002	-0.002	0.000	0.000	0.000	0.000
795	A	1192	ARG	1	0.825	0.913	81.119	-0.002	-0.002	0.000	0.000	0.000	0.000
796	A	1193	ALA	0	-0.012	0.032	75.546	0.001	0.001	0.000	0.000	0.000	0.000
797	A	1194	HIS	0	0.008	0.006	76.786	-0.001	-0.001	0.000	0.000	0.000	0.000
798	A	1195	ALA	0	0.031	0.020	72.888	0.000	0.000	0.000	0.000	0.000	0.000
799	A	1196	LEU	0	0.035	0.007	69.649	0.000	0.000	0.000	0.000	0.000	0.000
800	A	1197	ASN	0	-0.007	-0.021	71.927	0.000	0.000	0.000	0.000	0.000	0.000
801	A	1198	GLU	-1	-0.885	-0.941	73.729	0.002	0.002	0.000	0.000	0.000	0.000
802	A	1199	VAL	0	0.022	0.008	76.484	0.000	0.000	0.000	0.000	0.000	0.000
803	A	1200	MET	0	-0.058	-0.024	71.388	0.001	0.001	0.000	0.000	0.000	0.000
804	A	1201	ILE	0	-0.027	0.006	76.958	0.001	0.001	0.000	0.000	0.000	0.000
805	A	1202	LYS	1	1.045	1.009	79.554	-0.010	-0.010	0.000	0.000	0.000	0.000
806	A	1203	SER	0	0.027	0.021	82.614	0.000	0.000	0.000	0.000	0.000	0.000
807	A	1204	ASN	0	-0.074	-0.049	80.092	-0.001	-0.001	0.000	0.000	0.000	0.000
808	A	1205	ASN	0	-0.068	-0.030	83.975	0.000	0.000	0.000	0.000	0.000	0.000
809	A	1206	LEU	0	-0.008	0.015	80.438	0.000	0.000	0.000	0.000	0.000	0.000
810	A	1207	ILE	0	0.016	0.003	81.604	0.001	0.001	0.000	0.000	0.000	0.000
811	A	1208	PRO	0	0.011	-0.002	78.037	-0.001	-0.001	0.000	0.000	0.000	0.000
812	A	1209	ASP	-1	-0.834	-0.928	79.957	0.004	0.004	0.000	0.000	0.000	0.000
813	A	1210	PRO	0	0.028	0.010	80.314	0.000	0.000	0.000	0.000	0.000	0.000
814	A	1211	GLN	0	0.008	0.010	80.978	0.000	0.000	0.000	0.000	0.000	0.000
815	A	1212	TYR	0	-0.008	-0.009	73.134	0.000	0.000	0.000	0.000	0.000	0.000
816	A	1213	TYR	0	-0.022	-0.056	73.183	0.000	0.000	0.000	0.000	0.000	0.000
817	A	1214	LEU	0	0.050	0.025	76.369	0.001	0.001	0.000	0.000	0.000	0.000
818	A	1215	GLU	-1	-0.815	-0.872	78.308	0.003	0.003	0.000	0.000	0.000	0.000
819	A	1216	LYS	1	0.819	0.876	74.827	-0.002	-0.002	0.000	0.000	0.000	0.000
820	A	1217	GLN	0	-0.007	-0.001	70.340	0.001	0.001	0.000	0.000	0.000	0.000
821	A	1218	ILE	0	0.036	0.037	72.171	0.001	0.001	0.000	0.000	0.000	0.000
822	A	1219	PHE	0	0.050	0.038	74.217	0.000	0.000	0.000	0.000	0.000	0.000
823	A	1220	ALA	0	0.017	0.011	73.454	0.000	0.000	0.000	0.000	0.000	0.000
824	A	1221	PRO	0	-0.020	-0.016	69.043	0.000	0.000	0.000	0.000	0.000	0.000
825	A	1222	VAL	0	0.062	0.020	70.270	0.000	0.000	0.000	0.000	0.000	0.000
826	A	1223	GLU	-1	-0.866	-0.899	72.413	0.005	0.005	0.000	0.000	0.000	0.000
827	A	1224	ARG	1	0.788	0.879	68.838	-0.004	-0.004	0.000	0.000	0.000	0.000
828	A	1225	LEU	0	-0.066	-0.033	66.317	0.000	0.000	0.000	0.000	0.000	0.000
829	A	1226	LEU	0	-0.013	-0.013	69.521	0.001	0.001	0.000	0.000	0.000	0.000
830	A	1227	GLU	-1	-0.827	-0.863	70.908	0.006	0.006	0.000	0.000	0.000	0.000
831	A	1228	ARG	1	0.795	0.875	69.100	-0.007	-0.007	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:349:THR)