FMO DATABASE

FMODB ID: JQJR9

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	831
LigandCharge	CYM=-1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-22217043.074363
FMO2-HF: Nuclear repulsion	21879434.731696
FMO2-HF: Total energy	-337608.342667
FMO2-MP2: Total energy	-338574.634011

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.
1.241	4.875	0.155	-1.827	-1.961	-0.002

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 : 0.018 / q_NPA : 0.000

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	-0.058	-0.043	2.922	-0.307	3.245	0.156	-1.819	-1.889	-0.002
4	A	352	PHE	0	-0.017	-0.002	4.537	0.181	0.263	-0.001	-0.008	-0.072	0.000
5	A	353	GLN	0	-0.023	-0.027	5.168	0.512	0.512	0.000	0.000	0.000	0.000
6	A	354	MET	0	-0.047	-0.010	8.029	0.158	0.158	0.000	0.000	0.000	0.000
7	A	355	PHE	0	0.007	0.001	11.790	0.020	0.020	0.000	0.000	0.000	0.000
8	A	356	TRP	0	-0.033	-0.016	14.397	-0.017	-0.017	0.000	0.000	0.000	0.000
9	A	357	LEU	0	-0.034	-0.027	17.112	0.047	0.047	0.000	0.000	0.000	0.000
10	A	358	ASP	-1	-0.832	-0.927	20.787	-0.103	-0.103	0.000	0.000	0.000	0.000
11	A	359	TYR	0	-0.034	-0.014	21.658	-0.029	-0.029	0.000	0.000	0.000	0.000
12	A	360	CYS	0	-0.018	0.012	23.831	0.019	0.019	0.000	0.000	0.000	0.000
13	A	361	GLU	-1	-0.779	-0.889	25.390	-0.197	-0.197	0.000	0.000	0.000	0.000
14	A	362	VAL	0	-0.014	-0.017	26.673	0.017	0.017	0.000	0.000	0.000	0.000
15	A	363	ASN	0	-0.016	-0.003	28.072	-0.008	-0.008	0.000	0.000	0.000	0.000
16	A	364	ASN	0	-0.025	-0.004	29.449	-0.003	-0.003	0.000	0.000	0.000	0.000
17	A	365	THR	0	-0.005	0.003	24.002	-0.020	-0.020	0.000	0.000	0.000	0.000
18	A	366	LEU	0	0.006	0.013	21.664	0.027	0.027	0.000	0.000	0.000	0.000
19	A	367	ILE	0	0.004	-0.015	21.156	-0.039	-0.039	0.000	0.000	0.000	0.000
20	A	368	LEU	0	-0.005	0.014	16.714	0.041	0.041	0.000	0.000	0.000	0.000
21	A	369	PHE	0	0.004	-0.013	19.385	-0.029	-0.029	0.000	0.000	0.000	0.000
22	A	370	GLY	0	0.063	0.002	16.817	0.020	0.020	0.000	0.000	0.000	0.000
23	A	371	LYS	1	0.766	0.881	15.954	-0.021	-0.021	0.000	0.000	0.000	0.000
24	A	372	VAL	0	0.017	0.012	10.567	-0.008	-0.008	0.000	0.000	0.000	0.000
25	A	373	LYS	1	0.816	0.899	10.023	-0.741	-0.741	0.000	0.000	0.000	0.000
26	A	374	LEU	0	-0.021	-0.002	10.505	-0.130	-0.130	0.000	0.000	0.000	0.000
27	A	375	LYS	1	0.977	0.974	10.782	0.040	0.040	0.000	0.000	0.000	0.000
28	A	376	ASP	-1	-0.867	-0.924	11.755	0.311	0.311	0.000	0.000	0.000	0.000
29	A	377	ASP	-1	-0.805	-0.881	12.743	0.762	0.762	0.000	0.000	0.000	0.000
30	A	378	ASN	0	-0.026	-0.027	14.028	-0.030	-0.030	0.000	0.000	0.000	0.000
31	A	379	CYS	0	-0.041	-0.018	14.651	-0.002	-0.002	0.000	0.000	0.000	0.000
32	A	380	VAL	0	-0.010	0.003	15.528	-0.005	-0.005	0.000	0.000	0.000	0.000
33	A	381	SER	0	-0.002	-0.029	16.728	-0.025	-0.025	0.000	0.000	0.000	0.000
34	A	382	ALA	0	-0.025	-0.021	15.492	-0.030	-0.030	0.000	0.000	0.000	0.000
35	A	383	MET	0	-0.011	-0.007	17.374	0.058	0.058	0.000	0.000	0.000	0.000
36	A	384	VAL	0	0.035	0.008	14.221	-0.063	-0.063	0.000	0.000	0.000	0.000
37	A	385	GLN	0	-0.023	-0.008	17.227	0.022	0.022	0.000	0.000	0.000	0.000
38	A	386	ILE	0	-0.018	-0.015	17.642	-0.071	-0.071	0.000	0.000	0.000	0.000
39	A	387	ASN	0	-0.008	0.004	19.884	0.092	0.092	0.000	0.000	0.000	0.000
40	A	388	GLY	0	0.070	0.027	21.265	-0.023	-0.023	0.000	0.000	0.000	0.000
41	A	389	LEU	0	-0.035	-0.012	21.683	0.010	0.010	0.000	0.000	0.000	0.000
42	A	390	CYS	0	-0.083	-0.028	24.213	0.012	0.012	0.000	0.000	0.000	0.000
43	A	391	ARG	1	0.928	0.982	27.383	0.167	0.167	0.000	0.000	0.000	0.000
44	A	392	GLU	-1	-0.796	-0.886	26.757	-0.209	-0.209	0.000	0.000	0.000	0.000
45	A	393	LEU	0	-0.002	0.011	30.714	0.010	0.010	0.000	0.000	0.000	0.000
46	A	394	PHE	0	-0.008	-0.023	31.020	-0.007	-0.007	0.000	0.000	0.000	0.000
47	A	395	PHE	0	0.019	0.015	36.495	0.005	0.005	0.000	0.000	0.000	0.000
48	A	396	LEU	0	0.025	0.010	39.969	-0.002	-0.002	0.000	0.000	0.000	0.000
49	A	397	PRO	0	0.004	-0.004	41.968	0.002	0.002	0.000	0.000	0.000	0.000
50	A	398	ARG	1	0.886	0.943	45.088	0.072	0.072	0.000	0.000	0.000	0.000
51	A	399	GLU	-1	-0.887	-0.950	48.852	-0.052	-0.052	0.000	0.000	0.000	0.000
52	A	400	GLY	0	-0.026	-0.012	51.007	0.000	0.000	0.000	0.000	0.000	0.000
53	A	401	LYS	1	0.835	0.942	47.323	0.067	0.067	0.000	0.000	0.000	0.000
54	A	402	THR	0	-0.026	-0.032	43.629	0.000	0.000	0.000	0.000	0.000	0.000
55	A	403	PRO	0	0.017	-0.020	39.059	-0.002	-0.002	0.000	0.000	0.000	0.000
56	A	404	THR	0	-0.007	-0.002	40.961	-0.008	-0.008	0.000	0.000	0.000	0.000
57	A	405	ASP	-1	-0.766	-0.867	42.208	-0.088	-0.088	0.000	0.000	0.000	0.000
58	A	406	ILE	0	0.022	0.013	40.983	-0.002	-0.002	0.000	0.000	0.000	0.000
59	A	407	HIS	0	-0.076	-0.049	36.824	-0.012	-0.012	0.000	0.000	0.000	0.000
60	A	408	GLU	-1	-0.944	-0.975	40.726	-0.105	-0.105	0.000	0.000	0.000	0.000
61	A	409	GLU	-1	-0.771	-0.824	43.852	-0.092	-0.092	0.000	0.000	0.000	0.000
62	A	410	ILE	0	0.000	-0.016	39.696	-0.002	-0.002	0.000	0.000	0.000	0.000
63	A	411	ILE	0	-0.035	-0.005	36.197	-0.006	-0.006	0.000	0.000	0.000	0.000
64	A	412	PRO	0	0.055	0.007	39.436	-0.007	-0.007	0.000	0.000	0.000	0.000
65	A	413	LEU	0	0.023	0.017	41.848	-0.003	-0.003	0.000	0.000	0.000	0.000
66	A	414	LEU	0	-0.037	-0.019	37.327	-0.002	-0.002	0.000	0.000	0.000	0.000
67	A	415	MET	0	-0.046	-0.017	36.705	-0.004	-0.004	0.000	0.000	0.000	0.000
68	A	416	ASP	-1	-0.909	-0.938	38.612	-0.130	-0.130	0.000	0.000	0.000	0.000
69	A	417	LYS	1	0.883	0.958	39.398	0.130	0.130	0.000	0.000	0.000	0.000
70	A	418	TYR	0	-0.080	-0.064	35.724	0.001	0.001	0.000	0.000	0.000	0.000
71	A	419	GLY	0	-0.016	-0.005	36.460	-0.009	-0.009	0.000	0.000	0.000	0.000
72	A	420	LEU	0	-0.085	-0.058	32.032	-0.015	-0.015	0.000	0.000	0.000	0.000
73	A	421	ASP	-1	-0.863	-0.930	33.331	-0.208	-0.208	0.000	0.000	0.000	0.000
74	A	422	ASN	0	-0.087	-0.050	30.461	0.001	0.001	0.000	0.000	0.000	0.000
75	A	423	ILE	0	0.040	0.021	32.046	-0.010	-0.010	0.000	0.000	0.000	0.000
76	A	424	ARG	1	0.922	0.969	25.256	0.317	0.317	0.000	0.000	0.000	0.000
77	A	425	ALA	0	0.065	0.037	30.751	0.001	0.001	0.000	0.000	0.000	0.000
78	A	426	LYS	1	0.824	0.904	29.165	0.155	0.155	0.000	0.000	0.000	0.000
79	A	427	PRO	0	0.080	0.037	33.963	0.002	0.002	0.000	0.000	0.000	0.000
80	A	428	GLN	0	-0.089	-0.058	30.016	-0.021	-0.021	0.000	0.000	0.000	0.000
81	A	429	LYS	1	0.882	0.973	34.862	0.076	0.076	0.000	0.000	0.000	0.000
82	A	430	MET	0	-0.044	0.006	32.158	-0.008	-0.008	0.000	0.000	0.000	0.000
83	A	431	LYS	1	0.932	0.967	34.579	0.066	0.066	0.000	0.000	0.000	0.000
84	A	432	TYR	0	-0.009	-0.006	37.753	-0.005	-0.005	0.000	0.000	0.000	0.000
85	A	433	SER	0	0.025	0.014	39.504	0.002	0.002	0.000	0.000	0.000	0.000
86	A	434	PHE	0	-0.023	-0.016	37.052	0.004	0.004	0.000	0.000	0.000	0.000
87	A	435	GLU	-1	-0.764	-0.881	42.688	-0.041	-0.041	0.000	0.000	0.000	0.000
88	A	436	LEU	0	0.016	0.030	43.253	0.001	0.001	0.000	0.000	0.000	0.000
89	A	437	PRO	0	0.056	0.023	46.556	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	438	ASP	-1	-0.866	-0.932	48.616	-0.060	-0.060	0.000	0.000	0.000	0.000
91	A	439	ILE	0	-0.028	0.005	42.545	-0.003	-0.003	0.000	0.000	0.000	0.000
92	A	440	PRO	0	0.003	-0.001	45.291	0.003	0.003	0.000	0.000	0.000	0.000
93	A	441	SER	0	0.039	0.013	43.665	-0.003	-0.003	0.000	0.000	0.000	0.000
94	A	442	GLU	-1	-0.898	-0.957	39.455	-0.066	-0.066	0.000	0.000	0.000	0.000
95	A	443	SER	0	-0.022	0.000	40.595	0.003	0.003	0.000	0.000	0.000	0.000
96	A	444	ASP	-1	-0.853	-0.936	39.218	-0.086	-0.086	0.000	0.000	0.000	0.000
97	A	445	TYR	0	0.050	0.017	37.078	0.000	0.000	0.000	0.000	0.000	0.000
98	A	446	LEU	0	-0.032	-0.010	36.669	-0.005	-0.005	0.000	0.000	0.000	0.000
99	A	447	LYS	1	0.804	0.905	27.317	0.191	0.191	0.000	0.000	0.000	0.000
100	A	448	VAL	0	0.006	-0.012	33.105	-0.007	-0.007	0.000	0.000	0.000	0.000
101	A	449	LEU	0	-0.064	-0.028	26.226	-0.002	-0.002	0.000	0.000	0.000	0.000
102	A	450	LEU	0	0.056	0.029	30.087	-0.008	-0.008	0.000	0.000	0.000	0.000
103	A	451	PRO	0	0.003	-0.018	28.505	-0.002	-0.002	0.000	0.000	0.000	0.000
104	A	452	TYR	0	-0.040	-0.035	27.344	0.019	0.019	0.000	0.000	0.000	0.000
105	A	453	GLN	0	-0.062	-0.045	25.336	-0.006	-0.006	0.000	0.000	0.000	0.000
106	A	454	THR	0	0.016	-0.001	29.737	-0.010	-0.010	0.000	0.000	0.000	0.000
107	A	455	PRO	0	0.004	0.011	32.643	0.006	0.006	0.000	0.000	0.000	0.000
108	A	456	LYS	1	0.910	0.952	35.219	0.172	0.172	0.000	0.000	0.000	0.000
109	A	457	SER	0	0.029	0.025	37.117	-0.004	-0.004	0.000	0.000	0.000	0.000
110	A	458	SER	0	0.081	0.058	33.441	0.008	0.008	0.000	0.000	0.000	0.000
111	A	459	ARG	1	0.787	0.865	35.083	0.123	0.123	0.000	0.000	0.000	0.000
112	A	460	ASP	-1	-0.864	-0.908	37.117	-0.116	-0.116	0.000	0.000	0.000	0.000
113	A	461	THR	0	0.031	0.014	36.134	-0.004	-0.004	0.000	0.000	0.000	0.000
114	A	462	ILE	0	-0.018	0.002	37.586	0.004	0.004	0.000	0.000	0.000	0.000
115	A	463	PRO	0	-0.024	-0.011	40.124	-0.002	-0.002	0.000	0.000	0.000	0.000
116	A	464	SER	0	0.011	-0.008	42.203	-0.002	-0.002	0.000	0.000	0.000	0.000
117	A	465	ASP	-1	-0.854	-0.926	43.106	-0.079	-0.079	0.000	0.000	0.000	0.000
118	A	466	LEU	0	-0.076	-0.029	42.931	0.002	0.002	0.000	0.000	0.000	0.000
119	A	467	SER	0	0.015	0.003	46.153	0.002	0.002	0.000	0.000	0.000	0.000
120	A	468	SER	0	-0.039	-0.040	46.787	-0.002	-0.002	0.000	0.000	0.000	0.000
121	A	469	ASP	-1	-0.884	-0.929	48.901	-0.067	-0.067	0.000	0.000	0.000	0.000
122	A	470	THR	0	-0.070	-0.066	46.196	0.001	0.001	0.000	0.000	0.000	0.000
123	A	471	PHE	0	-0.032	-0.037	44.157	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	472	TYR	0	-0.104	-0.073	45.765	0.001	0.001	0.000	0.000	0.000	0.000
125	A	473	HIS	0	0.058	0.040	41.540	0.003	0.003	0.000	0.000	0.000	0.000
126	A	474	VAL	0	-0.044	-0.021	38.862	-0.005	-0.005	0.000	0.000	0.000	0.000
127	A	475	PHE	0	0.063	0.053	37.190	-0.001	-0.001	0.000	0.000	0.000	0.000
128	A	476	GLY	0	0.023	0.006	34.522	-0.008	-0.008	0.000	0.000	0.000	0.000
129	A	477	GLY	0	0.041	0.033	34.503	-0.010	-0.010	0.000	0.000	0.000	0.000
130	A	478	ASN	0	-0.024	-0.030	36.478	-0.010	-0.010	0.000	0.000	0.000	0.000
131	A	479	SER	0	-0.045	-0.026	30.922	0.000	0.000	0.000	0.000	0.000	0.000
132	A	480	ASN	0	0.011	-0.017	29.288	-0.006	-0.006	0.000	0.000	0.000	0.000
133	A	481	ILE	0	0.020	0.023	25.269	-0.005	-0.005	0.000	0.000	0.000	0.000
134	A	482	PHE	0	0.020	0.003	23.476	-0.018	-0.018	0.000	0.000	0.000	0.000
135	A	483	GLU	-1	-0.750	-0.832	24.728	-0.124	-0.124	0.000	0.000	0.000	0.000
136	A	484	SER	0	-0.012	0.007	26.112	0.003	0.003	0.000	0.000	0.000	0.000
137	A	485	PHE	0	0.056	0.016	16.905	-0.003	-0.003	0.000	0.000	0.000	0.000
138	A	486	VAL	0	-0.019	-0.004	21.298	-0.011	-0.011	0.000	0.000	0.000	0.000
139	A	487	ILE	0	0.019	0.019	22.344	0.006	0.006	0.000	0.000	0.000	0.000
140	A	488	GLN	0	-0.060	-0.043	22.334	-0.010	-0.010	0.000	0.000	0.000	0.000
141	A	489	ASN	0	-0.078	-0.057	16.180	0.013	0.013	0.000	0.000	0.000	0.000
142	A	490	ARG	1	0.859	0.931	18.330	0.230	0.230	0.000	0.000	0.000	0.000
143	A	491	ILE	0	-0.008	0.004	16.910	0.024	0.024	0.000	0.000	0.000	0.000
144	A	492	MET	0	0.005	0.024	19.777	0.007	0.007	0.000	0.000	0.000	0.000
145	A	493	GLY	0	0.047	0.037	21.221	0.028	0.028	0.000	0.000	0.000	0.000
146	A	494	PRO	0	-0.022	-0.002	19.533	-0.014	-0.014	0.000	0.000	0.000	0.000
147	A	495	CYS	0	-0.011	-0.014	14.848	0.038	0.038	0.000	0.000	0.000	0.000
148	A	496	TRP	0	0.024	0.008	10.573	-0.035	-0.035	0.000	0.000	0.000	0.000
149	A	497	LEU	0	-0.020	-0.004	11.462	0.015	0.015	0.000	0.000	0.000	0.000
150	A	498	ASP	-1	-0.790	-0.886	6.514	-0.535	-0.535	0.000	0.000	0.000	0.000
151	A	499	ILE	0	-0.050	-0.037	7.585	0.168	0.168	0.000	0.000	0.000	0.000
152	A	500	LYS	1	0.898	0.955	8.067	0.695	0.695	0.000	0.000	0.000	0.000
153	A	501	GLY	0	0.016	-0.010	8.883	0.334	0.334	0.000	0.000	0.000	0.000
154	A	502	ALA	0	-0.009	0.000	10.696	0.234	0.234	0.000	0.000	0.000	0.000
155	A	503	ASP	-1	-0.815	-0.916	12.468	-0.869	-0.869	0.000	0.000	0.000	0.000
156	A	504	PHE	0	-0.014	-0.028	9.964	0.127	0.127	0.000	0.000	0.000	0.000
157	A	505	ASN	0	-0.036	-0.008	15.937	0.143	0.143	0.000	0.000	0.000	0.000
158	A	506	SER	0	-0.014	0.026	18.998	0.079	0.079	0.000	0.000	0.000	0.000
159	A	507	ILE	0	-0.043	-0.026	19.896	0.058	0.058	0.000	0.000	0.000	0.000
160	A	508	ARG	1	0.910	0.942	21.889	0.387	0.387	0.000	0.000	0.000	0.000
161	A	509	ASN	0	-0.071	-0.022	24.219	0.031	0.031	0.000	0.000	0.000	0.000
162	A	510	ALA	0	0.032	0.013	24.258	0.022	0.022	0.000	0.000	0.000	0.000
163	A	511	SER	0	-0.064	-0.067	22.825	0.018	0.018	0.000	0.000	0.000	0.000
164	A	512	HIS	0	-0.044	-0.037	25.144	0.008	0.008	0.000	0.000	0.000	0.000
165	A	513	CYS	0	-0.043	0.003	19.997	0.025	0.025	0.000	0.000	0.000	0.000
166	A	514	ALA	0	-0.004	0.009	18.422	-0.002	-0.002	0.000	0.000	0.000	0.000
167	A	515	VAL	0	0.001	-0.002	13.907	-0.028	-0.028	0.000	0.000	0.000	0.000
168	A	516	GLU	-1	-0.762	-0.872	17.351	-0.281	-0.281	0.000	0.000	0.000	0.000
169	A	517	VAL	0	0.010	0.020	13.305	-0.043	-0.043	0.000	0.000	0.000	0.000
170	A	518	SER	0	-0.015	-0.016	16.526	0.062	0.062	0.000	0.000	0.000	0.000
171	A	519	VAL	0	0.007	0.010	13.796	-0.123	-0.123	0.000	0.000	0.000	0.000
172	A	520	ASP	-1	-0.748	-0.865	16.669	-0.648	-0.648	0.000	0.000	0.000	0.000
173	A	521	LYS	1	0.826	0.898	16.418	0.822	0.822	0.000	0.000	0.000	0.000
174	A	522	PRO	0	0.058	0.029	17.134	-0.073	-0.073	0.000	0.000	0.000	0.000
175	A	523	GLN	0	0.037	0.019	16.433	-0.056	-0.056	0.000	0.000	0.000	0.000
176	A	524	ASN	0	-0.014	-0.002	12.888	-0.017	-0.017	0.000	0.000	0.000	0.000
177	A	525	ILE	0	0.007	0.015	11.507	-0.177	-0.177	0.000	0.000	0.000	0.000
178	A	526	THR	0	0.013	0.003	10.216	0.066	0.066	0.000	0.000	0.000	0.000
179	A	527	PRO	0	0.014	0.013	11.362	-0.040	-0.040	0.000	0.000	0.000	0.000
180	A	528	THR	0	0.007	0.021	8.960	0.052	0.052	0.000	0.000	0.000	0.000
181	A	529	THR	0	-0.023	-0.021	11.785	0.027	0.027	0.000	0.000	0.000	0.000
182	A	530	THR	0	-0.035	-0.014	10.838	0.100	0.100	0.000	0.000	0.000	0.000
183	A	531	LYS	1	0.944	0.960	13.430	-0.347	-0.347	0.000	0.000	0.000	0.000
184	A	532	THR	0	0.001	0.020	15.856	-0.037	-0.037	0.000	0.000	0.000	0.000
185	A	533	MET	0	-0.024	-0.006	15.878	-0.024	-0.024	0.000	0.000	0.000	0.000
186	A	534	PRO	0	0.002	0.014	15.260	0.028	0.028	0.000	0.000	0.000	0.000
187	A	535	ASN	0	-0.004	-0.008	17.486	-0.022	-0.022	0.000	0.000	0.000	0.000
188	A	536	LEU	0	-0.007	0.003	20.891	-0.026	-0.026	0.000	0.000	0.000	0.000
189	A	537	ARG	1	0.830	0.895	22.158	-0.004	-0.004	0.000	0.000	0.000	0.000
190	A	538	CYS	0	-0.012	0.008	25.253	-0.019	-0.019	0.000	0.000	0.000	0.000
191	A	539	LEU	0	0.006	0.000	28.568	0.005	0.005	0.000	0.000	0.000	0.000
192	A	540	SER	0	-0.041	-0.011	31.723	-0.007	-0.007	0.000	0.000	0.000	0.000
193	A	541	LEU	0	0.006	-0.023	35.094	-0.002	-0.002	0.000	0.000	0.000	0.000
194	A	542	SER	0	-0.007	-0.008	37.769	0.002	0.002	0.000	0.000	0.000	0.000
195	A	543	ILE	0	0.005	0.004	40.140	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	544	GLN	0	0.021	0.028	43.953	0.000	0.000	0.000	0.000	0.000	0.000
197	A	545	THR	0	0.004	-0.024	47.335	-0.002	-0.002	0.000	0.000	0.000	0.000
198	A	546	LEU	0	-0.014	-0.003	49.757	0.003	0.003	0.000	0.000	0.000	0.000
199	A	547	MET	0	0.008	0.025	52.983	-0.003	-0.003	0.000	0.000	0.000	0.000
200	A	548	ASN	0	-0.029	-0.032	54.926	0.003	0.003	0.000	0.000	0.000	0.000
201	A	549	PRO	0	-0.010	-0.030	56.683	-0.002	-0.002	0.000	0.000	0.000	0.000
202	A	550	LYS	1	0.916	0.965	59.259	0.025	0.025	0.000	0.000	0.000	0.000
203	A	551	GLU	-1	-0.827	-0.906	55.400	-0.034	-0.034	0.000	0.000	0.000	0.000
204	A	552	ASN	0	-0.035	-0.017	55.821	0.000	0.000	0.000	0.000	0.000	0.000
205	A	553	LYS	1	0.859	0.938	51.856	0.038	0.038	0.000	0.000	0.000	0.000
206	A	554	GLN	0	0.042	0.032	48.827	0.003	0.003	0.000	0.000	0.000	0.000
207	A	555	GLU	-1	-0.843	-0.910	49.439	-0.032	-0.032	0.000	0.000	0.000	0.000
208	A	556	ILE	0	0.022	0.000	43.547	0.003	0.003	0.000	0.000	0.000	0.000
209	A	557	VAL	0	-0.032	-0.005	47.764	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	558	SER	0	-0.020	-0.027	46.419	0.000	0.000	0.000	0.000	0.000	0.000
211	A	559	ILE	0	0.035	0.014	39.939	-0.002	-0.002	0.000	0.000	0.000	0.000
212	A	560	THR	0	-0.031	-0.026	40.510	0.001	0.001	0.000	0.000	0.000	0.000
213	A	561	LEU	0	0.000	0.002	35.468	-0.003	-0.003	0.000	0.000	0.000	0.000
214	A	562	SER	0	0.008	0.007	35.860	0.006	0.006	0.000	0.000	0.000	0.000
215	A	563	ALA	0	0.018	0.014	30.613	-0.003	-0.003	0.000	0.000	0.000	0.000
216	A	564	TYR	0	0.019	-0.011	30.119	0.008	0.008	0.000	0.000	0.000	0.000
217	A	565	ARG	1	0.778	0.846	25.865	-0.040	-0.040	0.000	0.000	0.000	0.000
218	A	566	ASN	0	0.030	0.013	23.155	0.018	0.018	0.000	0.000	0.000	0.000
219	A	567	ILE	0	0.017	0.017	25.179	0.016	0.016	0.000	0.000	0.000	0.000
220	A	568	SER	0	0.030	0.018	21.897	-0.002	-0.002	0.000	0.000	0.000	0.000
221	A	569	LEU	0	-0.021	-0.030	23.010	-0.015	-0.015	0.000	0.000	0.000	0.000
222	A	570	ASP	-1	-0.854	-0.916	19.706	0.242	0.242	0.000	0.000	0.000	0.000
223	A	571	SER	0	-0.028	-0.032	23.215	0.022	0.022	0.000	0.000	0.000	0.000
224	A	572	PRO	0	-0.044	-0.002	26.656	-0.011	-0.011	0.000	0.000	0.000	0.000
225	A	573	ILE	0	0.014	0.012	29.021	0.007	0.007	0.000	0.000	0.000	0.000
226	A	574	PRO	0	-0.016	0.001	31.030	-0.006	-0.006	0.000	0.000	0.000	0.000
227	A	575	GLU	-1	-0.800	-0.901	34.045	0.066	0.066	0.000	0.000	0.000	0.000
228	A	576	ASN	0	-0.065	-0.042	37.450	-0.003	-0.003	0.000	0.000	0.000	0.000
229	A	577	ILE	0	-0.010	0.017	30.798	0.001	0.001	0.000	0.000	0.000	0.000
230	A	578	LYS	1	0.955	0.968	35.111	-0.081	-0.081	0.000	0.000	0.000	0.000
231	A	579	PRO	0	-0.025	-0.001	33.243	0.006	0.006	0.000	0.000	0.000	0.000
232	A	580	ASP	-1	-0.820	-0.909	28.841	0.087	0.087	0.000	0.000	0.000	0.000
233	A	581	ASP	-1	-0.836	-0.901	32.103	0.017	0.017	0.000	0.000	0.000	0.000
234	A	582	LEU	0	0.004	0.009	34.709	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	583	CYS	0	-0.042	-0.007	37.864	-0.001	-0.001	0.000	0.000	0.000	0.000
236	A	584	THR	0	0.043	0.031	39.487	-0.003	-0.003	0.000	0.000	0.000	0.000
237	A	585	LEU	0	-0.055	-0.022	39.305	0.000	0.000	0.000	0.000	0.000	0.000
238	A	586	VAL	0	0.028	-0.003	43.742	0.000	0.000	0.000	0.000	0.000	0.000
239	A	587	ARG	1	0.802	0.884	47.353	0.022	0.022	0.000	0.000	0.000	0.000
240	A	588	PRO	0	0.008	0.011	49.881	0.001	0.001	0.000	0.000	0.000	0.000
241	A	589	PRO	0	-0.008	-0.005	53.676	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	590	GLN	0	-0.022	-0.011	55.111	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	591	SER	0	-0.013	-0.001	57.083	-0.001	-0.001	0.000	0.000	0.000	0.000
244	A	592	THR	0	0.043	0.022	55.115	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	593	SER	0	-0.035	-0.018	55.418	0.000	0.000	0.000	0.000	0.000	0.000
246	A	594	PHE	0	0.018	-0.002	50.581	0.000	0.000	0.000	0.000	0.000	0.000
247	A	595	PRO	0	0.008	0.016	56.102	0.000	0.000	0.000	0.000	0.000	0.000
248	A	596	LEU	0	0.051	0.024	57.086	0.000	0.000	0.000	0.000	0.000	0.000
249	A	597	GLY	0	0.032	0.010	56.959	0.001	0.001	0.000	0.000	0.000	0.000
250	A	598	LEU	0	0.004	0.003	52.202	0.002	0.002	0.000	0.000	0.000	0.000
251	A	599	ALA	0	0.026	0.010	50.352	0.001	0.001	0.000	0.000	0.000	0.000
252	A	600	ALA	0	-0.007	-0.002	50.641	0.002	0.002	0.000	0.000	0.000	0.000
253	A	601	LEU	0	0.001	-0.004	52.807	0.002	0.002	0.000	0.000	0.000	0.000
254	A	602	ALA	0	0.038	0.008	48.785	0.002	0.002	0.000	0.000	0.000	0.000
255	A	603	LYS	1	0.950	0.977	47.260	-0.020	-0.020	0.000	0.000	0.000	0.000
256	A	604	GLN	0	-0.005	0.009	49.167	0.003	0.003	0.000	0.000	0.000	0.000
257	A	605	LYS	1	0.870	0.930	50.970	-0.018	-0.018	0.000	0.000	0.000	0.000
258	A	606	LEU	0	-0.036	-0.005	46.901	0.001	0.001	0.000	0.000	0.000	0.000
259	A	607	PRO	0	0.006	0.022	43.058	0.001	0.001	0.000	0.000	0.000	0.000
260	A	608	GLY	0	0.020	0.012	40.669	-0.002	-0.002	0.000	0.000	0.000	0.000
261	A	609	ARG	1	0.790	0.858	35.774	-0.013	-0.013	0.000	0.000	0.000	0.000
262	A	610	VAL	0	0.039	0.007	42.025	-0.002	-0.002	0.000	0.000	0.000	0.000
263	A	611	ARG	1	0.890	0.943	39.055	0.015	0.015	0.000	0.000	0.000	0.000
264	A	612	LEU	0	0.024	0.014	45.022	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	613	PHE	0	-0.007	-0.005	42.044	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	614	ASN	0	0.041	0.004	48.090	0.002	0.002	0.000	0.000	0.000	0.000
267	A	615	ASN	0	0.022	0.004	48.772	-0.002	-0.002	0.000	0.000	0.000	0.000
268	A	616	GLU	-1	-0.673	-0.804	46.719	-0.032	-0.032	0.000	0.000	0.000	0.000
269	A	617	LYS	1	0.910	0.962	44.351	0.055	0.055	0.000	0.000	0.000	0.000
270	A	618	ALA	0	0.002	0.009	44.111	-0.003	-0.003	0.000	0.000	0.000	0.000
271	A	619	MET	0	-0.019	0.016	43.064	0.000	0.000	0.000	0.000	0.000	0.000
272	A	620	LEU	0	0.030	0.006	41.335	0.000	0.000	0.000	0.000	0.000	0.000
273	A	621	SER	0	-0.004	-0.017	39.637	-0.005	-0.005	0.000	0.000	0.000	0.000
274	A	622	CYS	0	-0.065	-0.026	38.302	-0.002	-0.002	0.000	0.000	0.000	0.000
275	A	623	PHE	0	0.035	0.021	36.818	0.001	0.001	0.000	0.000	0.000	0.000
276	A	624	CYS	0	-0.028	0.006	35.231	0.000	0.000	0.000	0.000	0.000	0.000
277	A	625	ALA	0	-0.003	0.003	33.578	-0.005	-0.005	0.000	0.000	0.000	0.000
278	A	626	MET	0	-0.031	-0.028	32.584	0.000	0.000	0.000	0.000	0.000	0.000
279	A	627	LEU	0	0.027	0.016	31.448	0.004	0.004	0.000	0.000	0.000	0.000
280	A	628	LYS	1	0.873	0.942	26.658	0.132	0.132	0.000	0.000	0.000	0.000
281	A	629	VAL	0	-0.041	-0.014	27.791	-0.009	-0.009	0.000	0.000	0.000	0.000
282	A	630	GLU	-1	-0.775	-0.837	27.221	0.020	0.020	0.000	0.000	0.000	0.000
283	A	631	ASP	-1	-0.742	-0.819	23.191	-0.108	-0.108	0.000	0.000	0.000	0.000
284	A	632	PRO	0	-0.013	0.002	24.860	0.003	0.003	0.000	0.000	0.000	0.000
285	A	633	ASP	-1	-0.711	-0.838	22.039	-0.046	-0.046	0.000	0.000	0.000	0.000
286	A	634	VAL	0	-0.017	-0.004	24.788	-0.006	-0.006	0.000	0.000	0.000	0.000
287	A	635	ILE	0	-0.014	-0.003	28.061	0.005	0.005	0.000	0.000	0.000	0.000
288	A	636	ILE	0	0.017	0.005	30.956	-0.002	-0.002	0.000	0.000	0.000	0.000
289	A	637	GLY	0	0.033	0.001	33.986	-0.002	-0.002	0.000	0.000	0.000	0.000
290	A	638	HIS	0	-0.028	-0.017	37.773	0.000	0.000	0.000	0.000	0.000	0.000
291	A	639	ARG	1	0.875	0.919	40.899	0.001	0.001	0.000	0.000	0.000	0.000
292	A	640	LEU	0	-0.012	0.000	36.161	-0.004	-0.004	0.000	0.000	0.000	0.000
293	A	641	GLN	0	-0.040	-0.032	36.934	0.001	0.001	0.000	0.000	0.000	0.000
294	A	642	ASN	0	-0.012	-0.002	38.965	-0.008	-0.008	0.000	0.000	0.000	0.000
295	A	643	VAL	0	0.022	0.013	42.396	0.002	0.002	0.000	0.000	0.000	0.000
296	A	644	TYR	0	-0.009	-0.002	41.356	-0.002	-0.002	0.000	0.000	0.000	0.000
297	A	645	LEU	0	0.020	0.010	35.797	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	646	ASP	-1	-0.854	-0.930	39.722	-0.050	-0.050	0.000	0.000	0.000	0.000
299	A	647	VAL	0	-0.036	-0.021	42.500	-0.002	-0.002	0.000	0.000	0.000	0.000
300	A	648	LEU	0	-0.013	-0.003	37.961	-0.001	-0.001	0.000	0.000	0.000	0.000
301	A	649	ALA	0	0.009	0.009	39.292	-0.003	-0.003	0.000	0.000	0.000	0.000
302	A	650	HIS	0	0.029	0.002	40.890	-0.004	-0.004	0.000	0.000	0.000	0.000
303	A	651	ARG	1	0.786	0.878	44.560	0.034	0.034	0.000	0.000	0.000	0.000
304	A	652	MET	0	-0.024	-0.019	37.544	-0.003	-0.003	0.000	0.000	0.000	0.000
305	A	653	HIS	0	0.007	0.031	42.591	0.000	0.000	0.000	0.000	0.000	0.000
306	A	654	ASP	-1	-0.817	-0.909	43.858	-0.048	-0.048	0.000	0.000	0.000	0.000
307	A	655	LEU	0	-0.059	-0.020	45.746	0.001	0.001	0.000	0.000	0.000	0.000
308	A	656	ASN	0	-0.001	0.005	43.562	-0.003	-0.003	0.000	0.000	0.000	0.000
309	A	657	ILE	0	-0.016	-0.010	39.065	0.000	0.000	0.000	0.000	0.000	0.000
310	A	658	PRO	0	-0.005	-0.005	39.026	-0.004	-0.004	0.000	0.000	0.000	0.000
311	A	659	THR	0	0.030	-0.001	35.416	-0.007	-0.007	0.000	0.000	0.000	0.000
312	A	660	PHE	0	0.036	0.004	34.914	-0.001	-0.001	0.000	0.000	0.000	0.000
313	A	661	SER	0	0.015	0.012	31.586	0.002	0.002	0.000	0.000	0.000	0.000
314	A	662	SER	0	-0.044	-0.016	30.689	-0.003	-0.003	0.000	0.000	0.000	0.000
315	A	663	ILE	0	0.001	-0.009	30.817	0.004	0.004	0.000	0.000	0.000	0.000
316	A	664	GLY	0	0.037	0.027	29.118	0.007	0.007	0.000	0.000	0.000	0.000
317	A	665	ARG	1	0.715	0.827	22.465	0.104	0.104	0.000	0.000	0.000	0.000
318	A	666	ARG	1	0.957	0.971	25.542	0.160	0.160	0.000	0.000	0.000	0.000
319	A	667	LEU	0	-0.050	-0.008	27.328	0.022	0.022	0.000	0.000	0.000	0.000
320	A	668	ARG	1	0.753	0.852	29.481	0.131	0.131	0.000	0.000	0.000	0.000
321	A	669	ARG	1	0.951	0.967	33.061	0.127	0.127	0.000	0.000	0.000	0.000
322	A	670	THR	0	0.007	0.007	36.278	0.006	0.006	0.000	0.000	0.000	0.000
323	A	671	TRP	0	0.053	0.026	37.175	-0.005	-0.005	0.000	0.000	0.000	0.000
324	A	672	PRO	0	0.026	0.008	37.101	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	673	GLU	-1	-0.842	-0.917	39.553	-0.096	-0.096	0.000	0.000	0.000	0.000
326	A	674	LYS	1	0.881	0.935	42.514	0.096	0.096	0.000	0.000	0.000	0.000
327	A	675	PHE	0	0.002	-0.004	40.378	0.003	0.003	0.000	0.000	0.000	0.000
328	A	676	GLY	0	0.008	0.003	43.254	0.002	0.002	0.000	0.000	0.000	0.000
329	A	677	ARG	1	0.787	0.893	45.858	0.060	0.060	0.000	0.000	0.000	0.000
330	A	678	GLY	0	0.034	0.016	46.961	0.001	0.001	0.000	0.000	0.000	0.000
331	A	679	ASN	0	-0.002	-0.005	45.407	0.005	0.005	0.000	0.000	0.000	0.000
332	A	680	SER	0	0.022	0.002	45.247	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	681	ASN	0	0.053	0.011	44.255	0.000	0.000	0.000	0.000	0.000	0.000
334	A	682	MET	0	0.018	0.015	40.368	0.000	0.000	0.000	0.000	0.000	0.000
335	A	683	ASN	0	0.025	0.021	40.380	-0.008	-0.008	0.000	0.000	0.000	0.000
336	A	684	HIS	0	0.041	0.032	38.268	-0.004	-0.004	0.000	0.000	0.000	0.000
337	A	685	PHE	0	0.033	0.024	34.022	-0.002	-0.002	0.000	0.000	0.000	0.000
338	A	686	PHE	0	0.005	-0.015	35.584	-0.007	-0.007	0.000	0.000	0.000	0.000
339	A	687	ILE	0	0.007	0.006	35.741	-0.006	-0.006	0.000	0.000	0.000	0.000
340	A	688	SER	0	0.038	0.025	32.069	0.000	0.000	0.000	0.000	0.000	0.000
341	A	689	ASP	-1	-0.741	-0.842	31.186	-0.149	-0.149	0.000	0.000	0.000	0.000
342	A	690	ILE	0	-0.110	-0.056	30.856	-0.011	-0.011	0.000	0.000	0.000	0.000
343	A	691	CYS	0	-0.037	-0.024	31.366	0.000	0.000	0.000	0.000	0.000	0.000
344	A	692	SER	0	-0.029	-0.012	26.982	0.001	0.001	0.000	0.000	0.000	0.000
345	A	693	GLY	0	-0.002	-0.015	24.136	-0.013	-0.013	0.000	0.000	0.000	0.000
346	A	694	ARG	1	0.715	0.854	24.542	0.096	0.096	0.000	0.000	0.000	0.000
347	A	695	LEU	0	-0.001	0.005	24.163	0.001	0.001	0.000	0.000	0.000	0.000
348	A	696	ILE	0	0.009	0.003	28.028	0.012	0.012	0.000	0.000	0.000	0.000
349	A	697	CYS	0	-0.013	-0.010	31.020	0.004	0.004	0.000	0.000	0.000	0.000
350	A	698	ASP	-1	-0.785	-0.890	32.979	-0.008	-0.008	0.000	0.000	0.000	0.000
351	A	699	ILE	0	-0.009	-0.012	36.422	0.000	0.000	0.000	0.000	0.000	0.000
352	A	700	ALA	0	0.000	-0.002	38.178	0.003	0.003	0.000	0.000	0.000	0.000
353	A	701	ASN	0	-0.037	-0.007	35.707	0.003	0.003	0.000	0.000	0.000	0.000
354	A	702	GLU	-1	-0.817	-0.928	39.373	-0.017	-0.017	0.000	0.000	0.000	0.000
355	A	703	MET	0	0.016	0.028	33.732	0.003	0.003	0.000	0.000	0.000	0.000
356	A	704	GLY	0	0.048	0.030	37.203	0.006	0.006	0.000	0.000	0.000	0.000
357	A	705	GLN	0	-0.045	-0.033	38.364	0.005	0.005	0.000	0.000	0.000	0.000
358	A	706	SER	0	-0.110	-0.059	38.121	0.004	0.004	0.000	0.000	0.000	0.000
359	A	707	LEU	0	-0.018	-0.001	34.714	0.003	0.003	0.000	0.000	0.000	0.000
360	A	708	THR	0	-0.003	-0.011	39.369	0.004	0.004	0.000	0.000	0.000	0.000
361	A	709	PRO	0	0.024	0.005	42.756	-0.002	-0.002	0.000	0.000	0.000	0.000
362	A	710	LYS	1	0.909	0.947	45.638	-0.029	-0.029	0.000	0.000	0.000	0.000
363	A	711	CYS	0	-0.055	-0.003	46.457	0.001	0.001	0.000	0.000	0.000	0.000
364	A	712	GLN	0	-0.038	-0.025	48.442	-0.003	-0.003	0.000	0.000	0.000	0.000
365	A	713	SER	0	-0.080	-0.065	50.336	-0.002	-0.002	0.000	0.000	0.000	0.000
366	A	714	TRP	0	0.021	0.003	43.805	-0.004	-0.004	0.000	0.000	0.000	0.000
367	A	715	ASP	-1	-0.834	-0.874	46.100	0.000	0.000	0.000	0.000	0.000	0.000
368	A	716	LEU	0	-0.003	0.003	42.387	0.002	0.002	0.000	0.000	0.000	0.000
369	A	717	SER	0	0.025	0.006	45.890	0.003	0.003	0.000	0.000	0.000	0.000
370	A	718	GLU	-1	-0.769	-0.871	48.608	0.014	0.014	0.000	0.000	0.000	0.000
371	A	719	MET	0	0.005	-0.005	40.954	0.001	0.001	0.000	0.000	0.000	0.000
372	A	720	TYR	0	0.037	0.024	42.651	0.004	0.004	0.000	0.000	0.000	0.000
373	A	721	GLN	0	-0.007	0.002	45.264	0.002	0.002	0.000	0.000	0.000	0.000
374	A	722	VAL	0	-0.033	-0.029	45.703	0.002	0.002	0.000	0.000	0.000	0.000
375	A	723	THR	0	-0.030	-0.028	41.426	0.003	0.003	0.000	0.000	0.000	0.000
376	A	724	CYS	0	-0.081	-0.034	41.694	0.005	0.005	0.000	0.000	0.000	0.000
377	A	725	GLU	-1	-0.928	-0.952	43.728	0.049	0.049	0.000	0.000	0.000	0.000
378	A	726	LYS	1	0.842	0.928	43.687	-0.050	-0.050	0.000	0.000	0.000	0.000
379	A	727	GLU	-1	-0.783	-0.857	48.565	0.021	0.021	0.000	0.000	0.000	0.000
380	A	728	HIS	0	-0.021	-0.043	48.671	0.003	0.003	0.000	0.000	0.000	0.000
381	A	729	LYS	1	0.758	0.855	50.997	-0.023	-0.023	0.000	0.000	0.000	0.000
382	A	730	PRO	0	-0.022	0.006	50.916	0.000	0.000	0.000	0.000	0.000	0.000
383	A	731	LEU	0	-0.013	-0.016	52.660	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	732	ASP	-1	-0.837	-0.905	53.567	-0.004	-0.004	0.000	0.000	0.000	0.000
385	A	733	ILE	0	-0.049	-0.018	52.460	-0.001	-0.001	0.000	0.000	0.000	0.000
386	A	734	ASP	-1	-0.830	-0.907	54.483	-0.011	-0.011	0.000	0.000	0.000	0.000
387	A	735	TYR	0	-0.002	-0.040	50.575	0.001	0.001	0.000	0.000	0.000	0.000
388	A	736	GLN	0	-0.082	-0.056	56.283	-0.002	-0.002	0.000	0.000	0.000	0.000
389	A	737	ASN	0	-0.038	-0.007	59.250	0.000	0.000	0.000	0.000	0.000	0.000
390	A	738	PRO	0	0.058	0.008	60.554	0.000	0.000	0.000	0.000	0.000	0.000
391	A	739	GLN	0	-0.016	-0.003	60.500	0.000	0.000	0.000	0.000	0.000	0.000
392	A	740	TYR	0	0.004	-0.004	56.337	0.001	0.001	0.000	0.000	0.000	0.000
393	A	741	GLN	0	-0.028	-0.011	57.275	-0.001	-0.001	0.000	0.000	0.000	0.000
394	A	742	ASN	0	-0.010	-0.016	59.465	-0.001	-0.001	0.000	0.000	0.000	0.000
395	A	743	ASP	-1	-0.797	-0.860	60.891	0.005	0.005	0.000	0.000	0.000	0.000
396	A	744	VAL	0	0.026	0.011	56.460	0.000	0.000	0.000	0.000	0.000	0.000
397	A	745	ASN	0	0.007	0.011	56.274	0.002	0.002	0.000	0.000	0.000	0.000
398	A	746	SER	0	-0.011	-0.033	56.438	0.001	0.001	0.000	0.000	0.000	0.000
399	A	747	MET	0	-0.014	0.004	52.830	0.000	0.000	0.000	0.000	0.000	0.000
400	A	748	THR	0	-0.027	-0.026	51.980	0.000	0.000	0.000	0.000	0.000	0.000
401	A	749	MET	0	-0.007	-0.015	51.702	0.001	0.001	0.000	0.000	0.000	0.000
402	A	750	ALA	0	0.016	0.014	52.222	0.001	0.001	0.000	0.000	0.000	0.000
403	A	751	LEU	0	0.025	0.005	47.444	0.000	0.000	0.000	0.000	0.000	0.000
404	A	752	GLN	0	0.044	0.021	47.378	0.001	0.001	0.000	0.000	0.000	0.000
405	A	753	GLU	-1	-0.750	-0.833	47.820	0.013	0.013	0.000	0.000	0.000	0.000
406	A	754	ASN	0	-0.039	-0.015	43.755	0.000	0.000	0.000	0.000	0.000	0.000
407	A	755	ILE	0	0.018	0.001	43.010	0.000	0.000	0.000	0.000	0.000	0.000
408	A	756	THR	0	-0.023	-0.017	42.977	0.004	0.004	0.000	0.000	0.000	0.000
409	A	757	ASN	0	-0.015	-0.026	43.802	0.004	0.004	0.000	0.000	0.000	0.000
410	A	758	CYS	0	-0.061	0.003	38.950	0.001	0.001	0.000	0.000	0.000	0.000
411	A	759	MET	0	0.029	0.016	38.583	0.001	0.001	0.000	0.000	0.000	0.000
412	A	760	ILE	0	-0.005	0.008	39.520	0.004	0.004	0.000	0.000	0.000	0.000
413	A	761	SER	0	-0.012	-0.018	38.623	0.001	0.001	0.000	0.000	0.000	0.000
414	A	762	ALA	0	-0.017	0.004	35.248	0.000	0.000	0.000	0.000	0.000	0.000
415	A	763	GLU	-1	-0.762	-0.857	35.668	0.066	0.066	0.000	0.000	0.000	0.000
416	A	764	VAL	0	0.022	0.000	37.245	0.004	0.004	0.000	0.000	0.000	0.000
417	A	765	SER	0	-0.063	-0.046	34.068	0.001	0.001	0.000	0.000	0.000	0.000
418	A	766	TYR	0	0.000	-0.020	30.850	0.001	0.001	0.000	0.000	0.000	0.000
419	A	767	ARG	1	0.806	0.889	33.749	-0.057	-0.057	0.000	0.000	0.000	0.000
420	A	768	ILE	0	-0.016	-0.012	36.006	0.003	0.003	0.000	0.000	0.000	0.000
421	A	769	GLN	0	-0.004	-0.009	31.890	0.006	0.006	0.000	0.000	0.000	0.000
422	A	770	LEU	0	0.046	0.039	31.665	0.000	0.000	0.000	0.000	0.000	0.000
423	A	771	LEU	0	0.037	0.027	27.414	-0.005	-0.005	0.000	0.000	0.000	0.000
424	A	772	THR	0	0.065	0.020	26.726	-0.006	-0.006	0.000	0.000	0.000	0.000
425	A	773	LEU	0	0.014	0.012	27.697	0.001	0.001	0.000	0.000	0.000	0.000
426	A	774	THR	0	0.009	-0.018	29.305	-0.007	-0.007	0.000	0.000	0.000	0.000
427	A	775	LYS	1	0.841	0.956	19.904	-0.077	-0.077	0.000	0.000	0.000	0.000
428	A	776	GLN	0	0.029	0.018	24.064	-0.011	-0.011	0.000	0.000	0.000	0.000
429	A	777	LEU	0	-0.007	-0.006	26.666	-0.005	-0.005	0.000	0.000	0.000	0.000
430	A	778	THR	0	0.002	0.000	24.664	-0.011	-0.011	0.000	0.000	0.000	0.000
431	A	779	ASN	0	-0.089	-0.051	20.513	0.006	0.006	0.000	0.000	0.000	0.000
432	A	780	LEU	0	-0.073	-0.025	23.958	0.003	0.003	0.000	0.000	0.000	0.000
433	A	781	ALA	0	-0.005	-0.003	27.062	-0.005	-0.005	0.000	0.000	0.000	0.000
434	A	782	GLY	0	0.006	-0.003	24.099	-0.009	-0.009	0.000	0.000	0.000	0.000
435	A	783	ASN	0	0.032	0.011	24.966	-0.012	-0.012	0.000	0.000	0.000	0.000
436	A	784	ALA	0	0.016	-0.004	24.464	-0.002	-0.002	0.000	0.000	0.000	0.000
437	A	785	TRP	0	0.015	-0.012	21.749	0.011	0.011	0.000	0.000	0.000	0.000
438	A	786	ALA	0	0.058	0.022	26.043	0.012	0.012	0.000	0.000	0.000	0.000
439	A	787	GLN	0	0.005	0.005	28.462	0.012	0.012	0.000	0.000	0.000	0.000
440	A	788	THR	0	-0.046	-0.024	28.400	0.003	0.003	0.000	0.000	0.000	0.000
441	A	789	LEU	0	-0.041	-0.018	28.287	0.007	0.007	0.000	0.000	0.000	0.000
442	A	790	GLY	0	0.020	0.025	31.815	0.005	0.005	0.000	0.000	0.000	0.000
443	A	791	GLY	0	0.015	0.018	34.235	-0.005	-0.005	0.000	0.000	0.000	0.000
444	A	792	THR	0	0.015	0.012	35.424	0.004	0.004	0.000	0.000	0.000	0.000
445	A	793	ARG	1	0.896	0.936	35.879	0.002	0.002	0.000	0.000	0.000	0.000
446	A	794	ALA	0	0.002	0.005	35.950	-0.001	-0.001	0.000	0.000	0.000	0.000
447	A	795	GLY	0	0.043	0.028	33.297	-0.004	-0.004	0.000	0.000	0.000	0.000
448	A	796	ARG	1	0.912	0.936	30.575	0.012	0.012	0.000	0.000	0.000	0.000
449	A	797	ASN	0	0.008	-0.007	32.218	0.002	0.002	0.000	0.000	0.000	0.000
450	A	798	GLU	-1	-0.724	-0.822	33.146	-0.085	-0.085	0.000	0.000	0.000	0.000
451	A	799	TYR	0	-0.032	-0.054	27.276	-0.005	-0.005	0.000	0.000	0.000	0.000
452	A	800	ILE	0	0.007	0.013	29.261	-0.004	-0.004	0.000	0.000	0.000	0.000
453	A	801	LEU	0	0.009	0.011	30.365	0.001	0.001	0.000	0.000	0.000	0.000
454	A	802	LEU	0	-0.009	0.007	29.853	-0.004	-0.004	0.000	0.000	0.000	0.000
455	A	803	HIS	0	-0.013	0.014	23.272	-0.009	-0.009	0.000	0.000	0.000	0.000
456	A	804	GLU	-1	-0.846	-0.902	27.777	-0.036	-0.036	0.000	0.000	0.000	0.000
457	A	805	PHE	0	0.033	0.011	29.964	-0.001	-0.001	0.000	0.000	0.000	0.000
458	A	806	SER	0	0.007	-0.008	28.207	-0.005	-0.005	0.000	0.000	0.000	0.000
459	A	807	ARG	1	0.827	0.895	23.079	0.076	0.076	0.000	0.000	0.000	0.000
460	A	808	ASN	0	-0.038	-0.008	27.856	0.008	0.008	0.000	0.000	0.000	0.000
461	A	809	GLY	0	0.014	0.018	30.843	0.005	0.005	0.000	0.000	0.000	0.000
462	A	810	PHE	0	0.002	-0.019	32.413	0.004	0.004	0.000	0.000	0.000	0.000
463	A	811	ILE	0	-0.009	0.002	33.538	-0.007	-0.007	0.000	0.000	0.000	0.000
464	A	812	VAL	0	-0.030	-0.013	32.598	0.008	0.008	0.000	0.000	0.000	0.000
465	A	813	PRO	0	0.024	0.015	35.563	-0.005	-0.005	0.000	0.000	0.000	0.000
466	A	814	ASP	-1	-0.771	-0.879	36.299	-0.105	-0.105	0.000	0.000	0.000	0.000
467	A	815	LYS	1	0.728	0.844	32.590	0.105	0.105	0.000	0.000	0.000	0.000
468	A	848	VAL	0	-0.046	-0.041	56.080	0.000	0.000	0.000	0.000	0.000	0.000
469	A	849	PHE	0	-0.024	-0.013	58.388	0.000	0.000	0.000	0.000	0.000	0.000
470	A	850	GLU	-1	-0.871	-0.948	60.536	0.001	0.001	0.000	0.000	0.000	0.000
471	A	851	PRO	0	-0.085	-0.029	61.292	0.001	0.001	0.000	0.000	0.000	0.000
472	A	852	GLU	-1	-0.866	-0.938	62.910	0.007	0.007	0.000	0.000	0.000	0.000
473	A	853	LYS	1	0.799	0.904	64.611	-0.003	-0.003	0.000	0.000	0.000	0.000
474	A	854	GLY	0	0.060	0.025	66.569	0.000	0.000	0.000	0.000	0.000	0.000
475	A	855	LEU	0	-0.024	-0.008	66.528	0.000	0.000	0.000	0.000	0.000	0.000
476	A	856	HIS	1	0.801	0.881	64.394	-0.014	-0.014	0.000	0.000	0.000	0.000
477	A	857	LYS	1	0.994	0.978	65.703	-0.014	-0.014	0.000	0.000	0.000	0.000
478	A	858	ASN	0	-0.018	0.001	65.610	0.001	0.001	0.000	0.000	0.000	0.000
479	A	859	TYR	0	0.012	0.004	58.884	0.000	0.000	0.000	0.000	0.000	0.000
480	A	860	VAL	0	-0.027	0.004	58.877	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	861	LEU	0	-0.020	0.005	55.179	0.001	0.001	0.000	0.000	0.000	0.000
482	A	862	VAL	0	-0.022	-0.008	51.811	-0.002	-0.002	0.000	0.000	0.000	0.000
483	A	863	MET	0	0.008	0.007	51.529	0.003	0.003	0.000	0.000	0.000	0.000
484	A	864	ASP	-1	-0.795	-0.888	44.876	0.022	0.022	0.000	0.000	0.000	0.000
485	A	865	PHE	0	0.064	0.009	48.575	0.001	0.001	0.000	0.000	0.000	0.000
486	A	866	ASN	0	-0.062	-0.043	43.612	-0.005	-0.005	0.000	0.000	0.000	0.000
487	A	867	SER	0	-0.033	-0.023	43.459	-0.003	-0.003	0.000	0.000	0.000	0.000
488	A	868	LEU	0	0.010	0.024	44.480	-0.001	-0.001	0.000	0.000	0.000	0.000
489	A	869	TYR	0	0.041	0.015	45.173	0.000	0.000	0.000	0.000	0.000	0.000
490	A	870	PRO	0	-0.011	0.000	40.786	-0.002	-0.002	0.000	0.000	0.000	0.000
491	A	871	SER	0	-0.012	-0.019	42.587	0.000	0.000	0.000	0.000	0.000	0.000
492	A	872	ILE	0	0.005	0.007	44.590	0.000	0.000	0.000	0.000	0.000	0.000
493	A	873	ILE	0	-0.023	-0.016	41.565	-0.001	-0.001	0.000	0.000	0.000	0.000
494	A	874	GLN	0	-0.034	-0.025	39.674	0.001	0.001	0.000	0.000	0.000	0.000
495	A	875	GLU	-1	-0.833	-0.887	42.769	0.016	0.016	0.000	0.000	0.000	0.000
496	A	876	PHE	0	-0.035	-0.032	46.235	0.000	0.000	0.000	0.000	0.000	0.000
497	A	877	ASN	0	0.029	0.016	43.046	-0.003	-0.003	0.000	0.000	0.000	0.000
498	A	878	ILE	0	0.019	0.025	44.923	-0.003	-0.003	0.000	0.000	0.000	0.000
499	A	879	CYM	-1	-0.873	-0.791	40.157	-0.029	-0.029	0.000	0.000	0.000	0.000
500	A	880	PHE	0	0.006	-0.016	39.201	0.000	0.000	0.000	0.000	0.000	0.000
501	A	881	THR	0	-0.051	-0.134	38.696	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	882	THR	0	-0.032	-0.014	42.097	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	883	VAL	0	-0.016	0.000	45.103	0.002	0.002	0.000	0.000	0.000	0.000
504	A	884	ASP	-1	-0.879	-0.923	47.925	-0.030	-0.030	0.000	0.000	0.000	0.000
505	A	885	ARG	1	0.651	0.758	44.098	0.038	0.038	0.000	0.000	0.000	0.000
506	A	886	ASN	0	0.020	0.012	51.373	-0.004	-0.004	0.000	0.000	0.000	0.000
507	A	887	LYS	1	0.843	0.923	45.616	0.048	0.048	0.000	0.000	0.000	0.000
508	A	888	GLU	-1	-0.923	-0.951	51.622	-0.043	-0.043	0.000	0.000	0.000	0.000
509	A	889	ASP	-1	-0.899	-0.950	54.763	-0.027	-0.027	0.000	0.000	0.000	0.000
510	A	890	ILE	0	-0.031	-0.026	50.577	0.000	0.000	0.000	0.000	0.000	0.000
511	A	891	ASP	-1	-0.865	-0.924	53.309	-0.024	-0.024	0.000	0.000	0.000	0.000
512	A	892	GLU	-1	-0.867	-0.920	55.716	-0.023	-0.023	0.000	0.000	0.000	0.000
513	A	893	LEU	0	-0.062	-0.030	54.456	0.000	0.000	0.000	0.000	0.000	0.000
514	A	894	PRO	0	0.037	0.040	51.136	0.000	0.000	0.000	0.000	0.000	0.000
515	A	895	SER	0	-0.043	-0.042	53.206	0.003	0.003	0.000	0.000	0.000	0.000
516	A	896	VAL	0	-0.035	-0.021	50.385	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	897	PRO	0	0.011	0.023	46.886	0.000	0.000	0.000	0.000	0.000	0.000
518	A	898	PRO	0	0.006	0.006	50.105	0.002	0.002	0.000	0.000	0.000	0.000
519	A	899	SER	0	-0.028	-0.052	49.665	0.000	0.000	0.000	0.000	0.000	0.000
520	A	900	GLU	-1	-0.920	-0.942	48.640	-0.003	-0.003	0.000	0.000	0.000	0.000
521	A	901	VAL	0	-0.043	-0.006	45.025	-0.002	-0.002	0.000	0.000	0.000	0.000
522	A	902	ASP	-1	-0.890	-0.945	41.239	-0.009	-0.009	0.000	0.000	0.000	0.000
523	A	903	GLN	0	-0.041	-0.021	38.177	0.000	0.000	0.000	0.000	0.000	0.000
524	A	904	GLY	0	0.070	0.024	39.340	-0.003	-0.003	0.000	0.000	0.000	0.000
525	A	905	VAL	0	-0.017	-0.018	34.251	0.004	0.004	0.000	0.000	0.000	0.000
526	A	906	LEU	0	0.049	-0.008	35.972	0.003	0.003	0.000	0.000	0.000	0.000
527	A	907	PRO	0	0.000	0.000	37.640	0.005	0.005	0.000	0.000	0.000	0.000
528	A	908	ARG	1	0.837	0.907	31.982	0.028	0.028	0.000	0.000	0.000	0.000
529	A	909	LEU	0	-0.012	-0.003	31.367	0.007	0.007	0.000	0.000	0.000	0.000
530	A	910	LEU	0	-0.022	-0.023	34.113	0.007	0.007	0.000	0.000	0.000	0.000
531	A	911	ALA	0	0.039	0.028	36.746	0.006	0.006	0.000	0.000	0.000	0.000
532	A	912	ASN	0	-0.015	0.005	29.586	0.009	0.009	0.000	0.000	0.000	0.000
533	A	913	LEU	0	-0.019	-0.021	31.096	0.010	0.010	0.000	0.000	0.000	0.000
534	A	914	VAL	0	-0.004	0.000	33.337	0.008	0.008	0.000	0.000	0.000	0.000
535	A	915	ASP	-1	-0.829	-0.917	34.821	0.050	0.050	0.000	0.000	0.000	0.000
536	A	916	ARG	1	0.921	0.955	25.588	-0.047	-0.047	0.000	0.000	0.000	0.000
537	A	917	ARG	1	0.860	0.932	31.811	-0.038	-0.038	0.000	0.000	0.000	0.000
538	A	918	ARG	1	0.794	0.863	34.061	-0.039	-0.039	0.000	0.000	0.000	0.000
539	A	919	GLU	-1	-0.950	-0.979	29.750	0.097	0.097	0.000	0.000	0.000	0.000
540	A	920	VAL	0	0.007	0.010	29.690	0.009	0.009	0.000	0.000	0.000	0.000
541	A	921	LYS	1	0.887	0.923	32.242	-0.074	-0.074	0.000	0.000	0.000	0.000
542	A	922	LYS	1	0.906	0.975	34.811	-0.086	-0.086	0.000	0.000	0.000	0.000
543	A	923	VAL	0	0.062	0.035	29.864	0.002	0.002	0.000	0.000	0.000	0.000
544	A	924	MET	0	-0.019	-0.002	33.188	0.001	0.001	0.000	0.000	0.000	0.000
545	A	925	LYS	1	0.854	0.926	35.074	-0.087	-0.087	0.000	0.000	0.000	0.000
546	A	926	THR	0	-0.006	0.006	34.750	-0.003	-0.003	0.000	0.000	0.000	0.000
547	A	927	GLU	-1	-0.795	-0.889	29.961	0.210	0.210	0.000	0.000	0.000	0.000
548	A	928	THR	0	-0.010	-0.014	33.042	-0.009	-0.009	0.000	0.000	0.000	0.000
549	A	929	ASP	-1	-0.772	-0.864	28.926	0.203	0.203	0.000	0.000	0.000	0.000
550	A	930	PRO	0	0.011	-0.009	31.893	-0.005	-0.005	0.000	0.000	0.000	0.000
551	A	931	HIS	0	-0.029	-0.021	27.887	-0.013	-0.013	0.000	0.000	0.000	0.000
552	A	932	LYS	1	0.883	0.928	26.390	-0.246	-0.246	0.000	0.000	0.000	0.000
553	A	933	ARG	1	0.849	0.931	28.575	-0.132	-0.132	0.000	0.000	0.000	0.000
554	A	934	VAL	0	0.027	0.010	31.435	-0.011	-0.011	0.000	0.000	0.000	0.000
555	A	935	GLN	0	0.005	0.006	23.303	-0.004	-0.004	0.000	0.000	0.000	0.000
556	A	936	CYS	0	-0.047	-0.035	28.847	-0.008	-0.008	0.000	0.000	0.000	0.000
557	A	937	ASP	-1	-0.746	-0.864	30.409	0.065	0.065	0.000	0.000	0.000	0.000
558	A	938	ILE	0	0.012	0.015	28.911	-0.011	-0.011	0.000	0.000	0.000	0.000
559	A	939	ARG	1	0.903	0.946	25.887	-0.083	-0.083	0.000	0.000	0.000	0.000
560	A	940	GLN	0	0.007	-0.010	29.808	-0.016	-0.016	0.000	0.000	0.000	0.000
561	A	941	GLN	0	-0.026	-0.027	33.376	-0.012	-0.012	0.000	0.000	0.000	0.000
562	A	942	ALA	0	0.036	0.018	30.264	-0.008	-0.008	0.000	0.000	0.000	0.000
563	A	943	LEU	0	0.000	0.005	29.943	-0.009	-0.009	0.000	0.000	0.000	0.000
564	A	944	LYS	1	0.841	0.914	32.955	-0.039	-0.039	0.000	0.000	0.000	0.000
565	A	945	LEU	0	-0.023	-0.018	34.823	-0.006	-0.006	0.000	0.000	0.000	0.000
566	A	946	THR	0	-0.014	-0.014	31.805	-0.008	-0.008	0.000	0.000	0.000	0.000
567	A	947	ALA	0	0.046	0.021	34.637	-0.006	-0.006	0.000	0.000	0.000	0.000
568	A	948	ASN	0	0.005	-0.002	37.096	-0.004	-0.004	0.000	0.000	0.000	0.000
569	A	949	SER	0	-0.030	-0.036	36.987	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	950	MET	0	0.018	0.023	35.076	-0.005	-0.005	0.000	0.000	0.000	0.000
571	A	951	TYR	0	0.027	0.021	38.693	-0.004	-0.004	0.000	0.000	0.000	0.000
572	A	952	GLY	0	0.013	0.000	41.306	-0.003	-0.003	0.000	0.000	0.000	0.000
573	A	953	CYS	0	-0.097	-0.042	36.485	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	954	LEU	0	0.077	0.058	39.708	-0.004	-0.004	0.000	0.000	0.000	0.000
575	A	955	GLY	0	0.024	0.024	43.012	0.000	0.000	0.000	0.000	0.000	0.000
576	A	956	TYR	0	-0.064	-0.029	41.475	0.001	0.001	0.000	0.000	0.000	0.000
577	A	957	VAL	0	0.046	0.011	44.230	-0.003	-0.003	0.000	0.000	0.000	0.000
578	A	958	ASN	0	-0.039	-0.018	43.623	-0.002	-0.002	0.000	0.000	0.000	0.000
579	A	959	SER	0	-0.071	-0.050	40.137	-0.006	-0.006	0.000	0.000	0.000	0.000
580	A	960	ARG	1	0.757	0.851	32.985	0.098	0.098	0.000	0.000	0.000	0.000
581	A	961	PHE	0	-0.007	-0.009	34.388	-0.003	-0.003	0.000	0.000	0.000	0.000
582	A	962	TYR	0	-0.036	-0.008	40.302	0.005	0.005	0.000	0.000	0.000	0.000
583	A	963	ALA	0	0.064	0.028	43.872	-0.002	-0.002	0.000	0.000	0.000	0.000
584	A	964	LYS	1	0.788	0.884	46.024	0.029	0.029	0.000	0.000	0.000	0.000
585	A	965	PRO	0	0.114	0.058	48.966	0.003	0.003	0.000	0.000	0.000	0.000
586	A	966	LEU	0	0.034	0.016	44.237	0.003	0.003	0.000	0.000	0.000	0.000
587	A	967	ALA	0	-0.012	-0.002	47.299	0.003	0.003	0.000	0.000	0.000	0.000
588	A	968	MET	0	-0.025	0.009	48.485	0.003	0.003	0.000	0.000	0.000	0.000
589	A	969	LEU	0	0.026	0.026	49.581	0.003	0.003	0.000	0.000	0.000	0.000
590	A	970	VAL	0	0.002	-0.007	46.231	0.003	0.003	0.000	0.000	0.000	0.000
591	A	971	THR	0	-0.028	-0.043	49.565	0.003	0.003	0.000	0.000	0.000	0.000
592	A	972	ASN	0	-0.024	-0.006	51.816	0.002	0.002	0.000	0.000	0.000	0.000
593	A	973	LYS	1	0.884	0.929	51.375	0.004	0.004	0.000	0.000	0.000	0.000
594	A	974	GLY	0	0.023	0.008	52.110	0.002	0.002	0.000	0.000	0.000	0.000
595	A	975	ARG	1	0.896	0.943	52.637	0.010	0.010	0.000	0.000	0.000	0.000
596	A	976	GLU	-1	-0.811	-0.882	55.954	-0.001	-0.001	0.000	0.000	0.000	0.000
597	A	977	ILE	0	0.013	0.013	51.316	0.001	0.001	0.000	0.000	0.000	0.000
598	A	978	LEU	0	-0.022	0.005	53.460	0.002	0.002	0.000	0.000	0.000	0.000
599	A	979	MET	0	0.001	-0.003	56.511	0.001	0.001	0.000	0.000	0.000	0.000
600	A	980	ASN	0	0.011	-0.010	57.750	0.001	0.001	0.000	0.000	0.000	0.000
601	A	981	THR	0	-0.037	-0.032	55.425	0.002	0.002	0.000	0.000	0.000	0.000
602	A	982	ARG	1	0.844	0.922	57.889	-0.007	-0.007	0.000	0.000	0.000	0.000
603	A	983	GLN	0	-0.016	-0.015	61.093	0.000	0.000	0.000	0.000	0.000	0.000
604	A	984	LEU	0	-0.013	0.002	57.395	0.001	0.001	0.000	0.000	0.000	0.000
605	A	985	ALA	0	0.020	0.014	59.911	0.001	0.001	0.000	0.000	0.000	0.000
606	A	986	GLU	-1	-0.809	-0.888	61.493	0.010	0.010	0.000	0.000	0.000	0.000
607	A	987	SER	0	-0.089	-0.046	63.048	0.000	0.000	0.000	0.000	0.000	0.000
608	A	988	MET	0	-0.062	-0.025	59.619	0.001	0.001	0.000	0.000	0.000	0.000
609	A	989	ASN	0	-0.072	-0.036	64.346	0.000	0.000	0.000	0.000	0.000	0.000
610	A	990	LEU	0	-0.016	0.005	60.648	0.000	0.000	0.000	0.000	0.000	0.000
611	A	991	LEU	0	0.024	0.008	64.190	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	992	VAL	0	-0.001	-0.007	59.630	0.001	0.001	0.000	0.000	0.000	0.000
613	A	993	VAL	0	-0.020	-0.001	60.834	-0.001	-0.001	0.000	0.000	0.000	0.000
614	A	994	TYR	0	-0.007	-0.049	55.274	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	995	GLY	0	0.010	0.010	56.273	0.002	0.002	0.000	0.000	0.000	0.000
616	A	996	ASP	-1	-0.724	-0.820	52.897	0.004	0.004	0.000	0.000	0.000	0.000
617	A	997	THR	0	0.020	-0.008	49.804	0.001	0.001	0.000	0.000	0.000	0.000
618	A	998	ASP	-1	-0.882	-0.921	47.814	0.005	0.005	0.000	0.000	0.000	0.000
619	A	999	SER	0	-0.083	-0.040	48.994	0.003	0.003	0.000	0.000	0.000	0.000
620	A	1000	VAL	0	0.037	0.020	51.751	-0.002	-0.002	0.000	0.000	0.000	0.000
621	A	1001	MET	0	-0.044	-0.014	54.841	0.002	0.002	0.000	0.000	0.000	0.000
622	A	1002	ILE	0	0.018	0.007	56.957	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	1003	ASP	-1	-0.792	-0.886	59.806	0.019	0.019	0.000	0.000	0.000	0.000
624	A	1004	THR	0	-0.034	-0.049	59.933	0.000	0.000	0.000	0.000	0.000	0.000
625	A	1005	GLY	0	0.036	0.035	62.772	0.001	0.001	0.000	0.000	0.000	0.000
626	A	1006	CYS	0	-0.059	-0.021	63.428	0.001	0.001	0.000	0.000	0.000	0.000
627	A	1007	ASP	-1	-0.842	-0.930	65.080	0.025	0.025	0.000	0.000	0.000	0.000
628	A	1008	ASN	0	-0.017	-0.023	62.502	0.002	0.002	0.000	0.000	0.000	0.000
629	A	1009	TYR	0	0.034	0.017	52.945	0.000	0.000	0.000	0.000	0.000	0.000
630	A	1010	ALA	0	0.016	-0.003	58.091	0.000	0.000	0.000	0.000	0.000	0.000
631	A	1011	ASP	-1	-0.822	-0.896	59.042	0.033	0.033	0.000	0.000	0.000	0.000
632	A	1012	ALA	0	0.062	0.037	59.194	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	1013	ILE	0	0.020	0.004	53.359	0.000	0.000	0.000	0.000	0.000	0.000
634	A	1014	LYS	1	0.794	0.889	55.972	-0.034	-0.034	0.000	0.000	0.000	0.000
635	A	1015	ILE	0	0.019	0.021	57.966	0.000	0.000	0.000	0.000	0.000	0.000
636	A	1016	GLY	0	0.057	0.011	55.505	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	1017	LEU	0	-0.062	-0.034	51.079	0.000	0.000	0.000	0.000	0.000	0.000
638	A	1018	GLY	0	0.008	0.009	54.204	0.000	0.000	0.000	0.000	0.000	0.000
639	A	1019	PHE	0	0.046	0.008	55.337	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	1020	LYS	1	0.786	0.879	46.443	-0.041	-0.041	0.000	0.000	0.000	0.000
641	A	1021	ARG	1	0.828	0.890	52.082	-0.034	-0.034	0.000	0.000	0.000	0.000
642	A	1022	LEU	0	0.004	0.015	53.666	-0.001	-0.001	0.000	0.000	0.000	0.000
643	A	1023	VAL	0	0.035	0.011	52.087	-0.002	-0.002	0.000	0.000	0.000	0.000
644	A	1024	ASN	0	-0.050	-0.022	47.608	0.000	0.000	0.000	0.000	0.000	0.000
645	A	1025	GLU	-1	-0.827	-0.906	51.371	0.028	0.028	0.000	0.000	0.000	0.000
646	A	1026	ARG	1	0.813	0.906	53.816	-0.022	-0.022	0.000	0.000	0.000	0.000
647	A	1027	TYR	0	0.035	0.027	50.773	-0.002	-0.002	0.000	0.000	0.000	0.000
648	A	1028	ARG	1	0.908	0.940	44.797	-0.019	-0.019	0.000	0.000	0.000	0.000
649	A	1029	LEU	0	0.011	0.009	42.959	0.003	0.003	0.000	0.000	0.000	0.000
650	A	1030	LEU	0	-0.038	-0.003	45.130	0.000	0.000	0.000	0.000	0.000	0.000
651	A	1031	GLU	-1	-0.876	-0.913	42.808	0.042	0.042	0.000	0.000	0.000	0.000
652	A	1032	ILE	0	0.009	0.032	45.772	0.000	0.000	0.000	0.000	0.000	0.000
653	A	1033	ASP	-1	-0.860	-0.938	45.674	0.045	0.045	0.000	0.000	0.000	0.000
654	A	1034	ILE	0	0.007	0.005	48.425	-0.003	-0.003	0.000	0.000	0.000	0.000
655	A	1035	ASP	-1	-0.969	-0.972	47.529	0.029	0.029	0.000	0.000	0.000	0.000
656	A	1036	ASN	0	-0.013	-0.012	49.079	0.003	0.003	0.000	0.000	0.000	0.000
657	A	1037	VAL	0	0.001	-0.003	51.978	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	1038	PHE	0	-0.024	-0.016	55.243	0.001	0.001	0.000	0.000	0.000	0.000
659	A	1039	LYS	1	0.880	0.928	58.392	-0.028	-0.028	0.000	0.000	0.000	0.000
660	A	1040	LYS	1	0.855	0.930	61.328	-0.023	-0.023	0.000	0.000	0.000	0.000
661	A	1041	LEU	0	-0.016	-0.012	59.586	0.000	0.000	0.000	0.000	0.000	0.000
662	A	1042	LEU	0	0.023	0.033	62.748	-0.001	-0.001	0.000	0.000	0.000	0.000
663	A	1043	LEU	0	-0.014	-0.009	60.319	0.000	0.000	0.000	0.000	0.000	0.000
664	A	1044	HIS	0	0.028	0.014	62.513	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	1045	ALA	0	0.027	-0.011	59.803	-0.001	-0.001	0.000	0.000	0.000	0.000
666	A	1046	LYS	1	0.850	0.926	51.146	-0.006	-0.006	0.000	0.000	0.000	0.000
667	A	1047	LYS	1	0.940	0.969	49.169	-0.004	-0.004	0.000	0.000	0.000	0.000
668	A	1048	LYS	1	0.853	0.924	56.036	-0.003	-0.003	0.000	0.000	0.000	0.000
669	A	1049	TYR	0	0.032	0.005	54.320	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	1050	ALA	0	0.009	0.003	59.933	0.000	0.000	0.000	0.000	0.000	0.000
671	A	1051	ALA	0	0.029	0.021	58.592	0.000	0.000	0.000	0.000	0.000	0.000
672	A	1052	LEU	0	0.021	0.024	59.652	0.000	0.000	0.000	0.000	0.000	0.000
673	A	1053	THR	0	-0.031	-0.009	54.054	0.000	0.000	0.000	0.000	0.000	0.000
674	A	1054	VAL	0	0.002	0.001	55.051	0.001	0.001	0.000	0.000	0.000	0.000
675	A	1055	ASN	0	-0.022	0.002	50.327	0.000	0.000	0.000	0.000	0.000	0.000
676	A	1063	THR	0	0.022	-0.006	52.845	0.000	0.000	0.000	0.000	0.000	0.000
677	A	1064	THR	0	-0.032	-0.012	55.188	-0.001	-0.001	0.000	0.000	0.000	0.000
678	A	1065	VAL	0	0.012	0.000	54.005	0.000	0.000	0.000	0.000	0.000	0.000
679	A	1066	LEU	0	0.011	0.023	57.158	-0.001	-0.001	0.000	0.000	0.000	0.000
680	A	1067	GLU	-1	-0.793	-0.872	52.489	0.023	0.023	0.000	0.000	0.000	0.000
681	A	1068	VAL	0	0.018	0.002	56.921	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	1069	LYS	1	0.796	0.903	51.549	-0.018	-0.018	0.000	0.000	0.000	0.000
683	A	1070	GLY	0	0.032	0.003	56.498	-0.001	-0.001	0.000	0.000	0.000	0.000
684	A	1071	LEU	0	-0.034	-0.026	58.085	-0.002	-0.002	0.000	0.000	0.000	0.000
685	A	1072	ASP	-1	-0.805	-0.887	58.209	0.011	0.011	0.000	0.000	0.000	0.000
686	A	1073	MET	0	-0.030	-0.016	55.982	0.000	0.000	0.000	0.000	0.000	0.000
687	A	1074	LYS	1	0.839	0.892	59.714	0.001	0.001	0.000	0.000	0.000	0.000
688	A	1075	ARG	1	0.908	0.939	55.836	-0.010	-0.010	0.000	0.000	0.000	0.000
689	A	1076	ARG	1	0.924	0.961	56.076	0.000	0.000	0.000	0.000	0.000	0.000
690	A	1077	GLU	-1	-0.817	-0.888	63.325	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	1078	PHE	0	0.006	0.022	66.240	0.000	0.000	0.000	0.000	0.000	0.000
692	A	1079	CYS	0	-0.045	0.004	66.765	0.001	0.001	0.000	0.000	0.000	0.000
693	A	1080	PRO	0	-0.085	-0.055	66.504	0.001	0.001	0.000	0.000	0.000	0.000
694	A	1081	LEU	0	0.081	0.047	67.893	0.001	0.001	0.000	0.000	0.000	0.000
695	A	1082	SER	0	0.000	-0.012	69.173	0.000	0.000	0.000	0.000	0.000	0.000
696	A	1083	ARG	1	0.869	0.939	63.464	-0.009	-0.009	0.000	0.000	0.000	0.000
697	A	1084	ASP	-1	-0.816	-0.885	66.789	0.015	0.015	0.000	0.000	0.000	0.000
698	A	1085	VAL	0	0.036	0.020	68.433	0.001	0.001	0.000	0.000	0.000	0.000
699	A	1086	SER	0	-0.024	-0.025	67.004	0.000	0.000	0.000	0.000	0.000	0.000
700	A	1087	ILE	0	-0.017	-0.011	62.992	0.000	0.000	0.000	0.000	0.000	0.000
701	A	1088	HIS	0	0.025	0.031	66.205	0.001	0.001	0.000	0.000	0.000	0.000
702	A	1089	VAL	0	0.034	0.026	69.272	0.001	0.001	0.000	0.000	0.000	0.000
703	A	1090	LEU	0	-0.033	-0.014	63.708	0.000	0.000	0.000	0.000	0.000	0.000
704	A	1091	ASN	0	-0.062	-0.055	63.940	0.002	0.002	0.000	0.000	0.000	0.000
705	A	1092	THR	0	0.000	-0.001	66.811	0.001	0.001	0.000	0.000	0.000	0.000
706	A	1093	ILE	0	0.010	0.003	69.418	0.000	0.000	0.000	0.000	0.000	0.000
707	A	1094	LEU	0	-0.071	-0.035	63.361	0.000	0.000	0.000	0.000	0.000	0.000
708	A	1095	SER	0	0.041	0.021	66.425	0.002	0.002	0.000	0.000	0.000	0.000
709	A	1096	ASP	-1	-0.821	-0.904	66.736	0.025	0.025	0.000	0.000	0.000	0.000
710	A	1097	LYS	1	0.749	0.867	69.412	-0.019	-0.019	0.000	0.000	0.000	0.000
711	A	1098	ASP	-1	-0.804	-0.886	72.711	0.017	0.017	0.000	0.000	0.000	0.000
712	A	1099	PRO	0	-0.063	-0.060	74.255	0.000	0.000	0.000	0.000	0.000	0.000
713	A	1100	GLU	-1	-0.960	-0.968	75.617	0.012	0.012	0.000	0.000	0.000	0.000
714	A	1101	GLU	-1	-0.820	-0.898	77.052	0.018	0.018	0.000	0.000	0.000	0.000
715	A	1102	ALA	0	0.046	0.013	73.424	0.000	0.000	0.000	0.000	0.000	0.000
716	A	1103	LEU	0	-0.061	-0.020	75.487	0.000	0.000	0.000	0.000	0.000	0.000
717	A	1104	GLN	0	-0.012	-0.024	77.293	-0.001	-0.001	0.000	0.000	0.000	0.000
718	A	1105	GLU	-1	-0.836	-0.905	74.049	0.018	0.018	0.000	0.000	0.000	0.000
719	A	1106	VAL	0	-0.047	-0.031	73.782	0.000	0.000	0.000	0.000	0.000	0.000
720	A	1107	TYR	0	-0.011	-0.010	76.445	-0.001	-0.001	0.000	0.000	0.000	0.000
721	A	1108	ASP	-1	-0.836	-0.902	79.832	0.013	0.013	0.000	0.000	0.000	0.000
722	A	1109	TYR	0	-0.034	-0.017	71.948	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	1110	LEU	0	-0.018	-0.024	75.360	0.000	0.000	0.000	0.000	0.000	0.000
724	A	1111	GLU	-1	-0.785	-0.854	78.613	0.008	0.008	0.000	0.000	0.000	0.000
725	A	1112	ASP	-1	-0.789	-0.870	79.409	0.013	0.013	0.000	0.000	0.000	0.000
726	A	1113	ILE	0	-0.045	-0.030	75.441	0.000	0.000	0.000	0.000	0.000	0.000
727	A	1114	ARG	1	0.767	0.850	78.892	-0.008	-0.008	0.000	0.000	0.000	0.000
728	A	1115	ILE	0	0.041	0.023	81.761	-0.001	-0.001	0.000	0.000	0.000	0.000
729	A	1116	LYS	1	0.792	0.887	78.914	-0.013	-0.013	0.000	0.000	0.000	0.000
730	A	1117	VAL	0	-0.029	-0.015	78.338	0.000	0.000	0.000	0.000	0.000	0.000
731	A	1118	GLU	-1	-0.912	-0.951	81.003	0.007	0.007	0.000	0.000	0.000	0.000
732	A	1119	THR	0	-0.060	-0.051	84.531	0.000	0.000	0.000	0.000	0.000	0.000
733	A	1120	ASN	0	-0.027	-0.006	80.430	0.000	0.000	0.000	0.000	0.000	0.000
734	A	1121	ASN	0	-0.023	0.004	80.637	0.000	0.000	0.000	0.000	0.000	0.000
735	A	1122	ILE	0	-0.010	-0.005	75.328	0.001	0.001	0.000	0.000	0.000	0.000
736	A	1123	ARG	1	0.945	0.969	70.550	-0.016	-0.016	0.000	0.000	0.000	0.000
737	A	1124	ILE	0	0.092	0.033	74.419	0.000	0.000	0.000	0.000	0.000	0.000
738	A	1125	ASP	-1	-0.812	-0.900	69.530	0.010	0.010	0.000	0.000	0.000	0.000
739	A	1126	LYS	1	0.795	0.865	67.758	-0.015	-0.015	0.000	0.000	0.000	0.000
740	A	1127	TYR	0	0.075	0.029	71.372	0.000	0.000	0.000	0.000	0.000	0.000
741	A	1128	LYS	1	0.784	0.900	66.463	-0.011	-0.011	0.000	0.000	0.000	0.000
742	A	1129	ILE	0	0.013	0.009	68.315	0.001	0.001	0.000	0.000	0.000	0.000
743	A	1130	ASN	0	0.003	0.011	64.258	-0.001	-0.001	0.000	0.000	0.000	0.000
744	A	1131	MET	0	0.015	0.009	65.096	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	1132	LYS	1	0.843	0.912	57.292	0.005	0.005	0.000	0.000	0.000	0.000
746	A	1133	LEU	0	-0.024	-0.008	63.602	-0.001	-0.001	0.000	0.000	0.000	0.000
747	A	1134	SER	0	0.041	0.010	62.100	-0.001	-0.001	0.000	0.000	0.000	0.000
748	A	1135	LYS	1	0.970	0.986	62.793	0.014	0.014	0.000	0.000	0.000	0.000
749	A	1136	ASP	-1	-0.709	-0.835	65.482	-0.010	-0.010	0.000	0.000	0.000	0.000
750	A	1137	PRO	0	0.039	0.018	68.168	0.000	0.000	0.000	0.000	0.000	0.000
751	A	1138	LYS	1	0.932	0.954	71.186	0.010	0.010	0.000	0.000	0.000	0.000
752	A	1139	ALA	0	-0.019	0.000	69.609	0.000	0.000	0.000	0.000	0.000	0.000
753	A	1140	TYR	0	0.032	0.024	66.184	-0.001	-0.001	0.000	0.000	0.000	0.000
754	A	1141	PRO	0	0.013	0.004	69.920	0.001	0.001	0.000	0.000	0.000	0.000
755	A	1142	GLY	0	0.071	0.036	72.648	0.000	0.000	0.000	0.000	0.000	0.000
756	A	1143	GLY	0	0.037	0.005	73.963	0.001	0.001	0.000	0.000	0.000	0.000
757	A	1144	LYS	1	0.813	0.881	74.857	0.005	0.005	0.000	0.000	0.000	0.000
758	A	1145	ASN	0	0.014	0.012	75.973	0.001	0.001	0.000	0.000	0.000	0.000
759	A	1146	MET	0	-0.033	-0.008	70.605	0.001	0.001	0.000	0.000	0.000	0.000
760	A	1147	PRO	0	0.057	0.024	73.099	0.000	0.000	0.000	0.000	0.000	0.000
761	A	1148	ALA	0	0.013	0.017	69.511	0.000	0.000	0.000	0.000	0.000	0.000
762	A	1149	VAL	0	0.006	0.009	70.844	0.000	0.000	0.000	0.000	0.000	0.000
763	A	1150	GLN	0	0.011	0.010	72.864	0.000	0.000	0.000	0.000	0.000	0.000
764	A	1151	VAL	0	0.024	0.022	73.003	0.000	0.000	0.000	0.000	0.000	0.000
765	A	1152	ALA	0	0.014	0.004	71.001	0.000	0.000	0.000	0.000	0.000	0.000
766	A	1153	LEU	0	-0.035	-0.028	72.914	0.000	0.000	0.000	0.000	0.000	0.000
767	A	1154	ARG	1	0.868	0.939	75.953	0.000	0.000	0.000	0.000	0.000	0.000
768	A	1155	MET	0	-0.023	-0.016	71.654	0.000	0.000	0.000	0.000	0.000	0.000
769	A	1156	ARG	1	0.740	0.831	69.459	0.008	0.008	0.000	0.000	0.000	0.000
770	A	1157	LYS	1	0.930	0.967	75.512	0.005	0.005	0.000	0.000	0.000	0.000
771	A	1158	ALA	0	0.004	0.012	77.776	0.000	0.000	0.000	0.000	0.000	0.000
772	A	1159	GLY	0	0.025	0.022	76.981	0.000	0.000	0.000	0.000	0.000	0.000
773	A	1160	ARG	1	0.917	0.961	72.553	-0.001	-0.001	0.000	0.000	0.000	0.000
774	A	1161	VAL	0	0.007	0.004	67.994	-0.001	-0.001	0.000	0.000	0.000	0.000
775	A	1162	VAL	0	0.037	0.022	67.856	0.001	0.001	0.000	0.000	0.000	0.000
776	A	1163	LYS	1	0.905	0.940	64.724	0.011	0.011	0.000	0.000	0.000	0.000
777	A	1164	ALA	0	0.031	0.038	63.097	0.001	0.001	0.000	0.000	0.000	0.000
778	A	1165	GLY	0	0.058	0.038	60.558	-0.001	-0.001	0.000	0.000	0.000	0.000
779	A	1166	SER	0	-0.027	-0.037	61.253	0.001	0.001	0.000	0.000	0.000	0.000
780	A	1167	VAL	0	0.009	0.005	60.950	0.000	0.000	0.000	0.000	0.000	0.000
781	A	1168	ILE	0	-0.056	-0.025	64.019	0.000	0.000	0.000	0.000	0.000	0.000
782	A	1169	THR	0	0.017	-0.009	66.304	0.000	0.000	0.000	0.000	0.000	0.000
783	A	1170	PHE	0	-0.047	-0.031	68.681	0.000	0.000	0.000	0.000	0.000	0.000
784	A	1171	VAL	0	0.036	0.015	72.058	0.001	0.001	0.000	0.000	0.000	0.000
785	A	1172	ILE	0	-0.031	0.001	74.941	-0.001	-0.001	0.000	0.000	0.000	0.000
786	A	1173	THR	0	-0.006	-0.026	77.752	0.001	0.001	0.000	0.000	0.000	0.000
787	A	1174	LYS	1	0.972	0.982	81.119	-0.004	-0.004	0.000	0.000	0.000	0.000
788	A	1175	GLN	0	0.032	0.014	84.703	0.000	0.000	0.000	0.000	0.000	0.000
789	A	1186	ALA	0	0.000	0.004	89.226	0.000	0.000	0.000	0.000	0.000	0.000
790	A	1187	LEU	0	0.029	0.023	85.196	0.000	0.000	0.000	0.000	0.000	0.000
791	A	1188	SER	0	0.040	0.018	80.903	0.001	0.001	0.000	0.000	0.000	0.000
792	A	1189	VAL	0	0.028	0.005	77.464	0.000	0.000	0.000	0.000	0.000	0.000
793	A	1190	ALA	0	-0.012	-0.011	77.232	0.000	0.000	0.000	0.000	0.000	0.000
794	A	1191	GLU	-1	-0.824	-0.903	78.249	-0.003	-0.003	0.000	0.000	0.000	0.000
795	A	1192	ARG	1	0.843	0.918	81.139	-0.001	-0.001	0.000	0.000	0.000	0.000
796	A	1193	ALA	0	-0.001	0.043	75.647	0.001	0.001	0.000	0.000	0.000	0.000
797	A	1194	HIS	0	-0.004	0.000	76.974	-0.001	-0.001	0.000	0.000	0.000	0.000
798	A	1195	ALA	0	0.015	0.001	72.833	0.000	0.000	0.000	0.000	0.000	0.000
799	A	1196	LEU	0	0.021	-0.001	69.777	0.000	0.000	0.000	0.000	0.000	0.000
800	A	1197	ASN	0	0.009	-0.012	72.461	0.000	0.000	0.000	0.000	0.000	0.000
801	A	1198	GLU	-1	-0.853	-0.922	74.322	0.001	0.001	0.000	0.000	0.000	0.000
802	A	1199	VAL	0	0.033	0.017	76.846	0.000	0.000	0.000	0.000	0.000	0.000
803	A	1200	MET	0	-0.050	-0.022	71.750	0.001	0.001	0.000	0.000	0.000	0.000
804	A	1201	ILE	0	-0.030	0.005	77.010	0.001	0.001	0.000	0.000	0.000	0.000
805	A	1202	LYS	1	1.028	0.997	79.785	-0.010	-0.010	0.000	0.000	0.000	0.000
806	A	1203	SER	0	0.036	0.028	82.815	0.000	0.000	0.000	0.000	0.000	0.000
807	A	1204	ASN	0	-0.071	-0.049	80.529	-0.001	-0.001	0.000	0.000	0.000	0.000
808	A	1205	ASN	0	-0.053	-0.031	84.441	0.000	0.000	0.000	0.000	0.000	0.000
809	A	1206	LEU	0	-0.026	0.016	80.528	0.000	0.000	0.000	0.000	0.000	0.000
810	A	1207	ILE	0	0.021	0.007	81.769	0.001	0.001	0.000	0.000	0.000	0.000
811	A	1208	PRO	0	0.006	-0.007	78.055	-0.001	-0.001	0.000	0.000	0.000	0.000
812	A	1209	ASP	-1	-0.817	-0.909	80.170	0.003	0.003	0.000	0.000	0.000	0.000
813	A	1210	PRO	0	0.036	0.008	80.615	0.000	0.000	0.000	0.000	0.000	0.000
814	A	1211	GLN	0	-0.012	0.005	81.490	0.000	0.000	0.000	0.000	0.000	0.000
815	A	1212	TYR	0	-0.019	-0.021	73.135	0.000	0.000	0.000	0.000	0.000	0.000
816	A	1213	TYR	0	-0.019	-0.044	73.507	0.000	0.000	0.000	0.000	0.000	0.000
817	A	1214	LEU	0	0.058	0.032	76.770	0.000	0.000	0.000	0.000	0.000	0.000
818	A	1215	GLU	-1	-0.814	-0.877	78.259	0.002	0.002	0.000	0.000	0.000	0.000
819	A	1216	LYS	1	0.838	0.887	75.335	-0.001	-0.001	0.000	0.000	0.000	0.000
820	A	1217	GLN	0	-0.019	-0.002	70.756	0.000	0.000	0.000	0.000	0.000	0.000
821	A	1218	ILE	0	0.037	0.041	72.638	0.001	0.001	0.000	0.000	0.000	0.000
822	A	1219	PHE	0	0.050	0.026	74.446	0.000	0.000	0.000	0.000	0.000	0.000
823	A	1220	ALA	0	0.016	0.011	73.705	0.000	0.000	0.000	0.000	0.000	0.000
824	A	1221	PRO	0	-0.040	-0.026	69.297	0.000	0.000	0.000	0.000	0.000	0.000
825	A	1222	VAL	0	0.050	0.020	70.692	0.000	0.000	0.000	0.000	0.000	0.000
826	A	1223	GLU	-1	-0.843	-0.883	72.719	0.003	0.003	0.000	0.000	0.000	0.000
827	A	1224	ARG	1	0.793	0.862	68.957	-0.003	-0.003	0.000	0.000	0.000	0.000
828	A	1225	LEU	0	-0.067	-0.026	66.599	0.000	0.000	0.000	0.000	0.000	0.000
829	A	1226	LEU	0	0.002	-0.003	69.748	0.001	0.001	0.000	0.000	0.000	0.000
830	A	1227	GLU	-1	-0.830	-0.866	70.747	0.004	0.004	0.000	0.000	0.000	0.000
831	A	1228	ARG	1	0.769	0.868	69.238	-0.006	-0.006	0.000	0.000	0.000	0.000

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