FMO DATABASE

FMODB ID: 8N5KY

Calculation Name: 5CSA-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5CSA

Chain ID: A

ChEMBL ID:

UniProt ID: Q00955

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	877
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-21008629.585656
FMO2-HF: Nuclear repulsion	20666154.538045
FMO2-HF: Total energy	-342475.047611
FMO2-MP2: Total energy	-343485.226448

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:573:GLU)

Summations of interaction energy for fragment #1(A:573:GLU)

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.
22.312	25.211	0.195	-1.413	-1.681	-0.002

Interaction energy analysis for fragmet #1(A:573:GLU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -1 / q_Mulliken : -0.984 / q_NPA : -0.999

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	575	PRO	0	0.004	0.014	2.968	2.328	4.944	0.195	-1.345	-1.466	-0.002
4	A	576	ASP	-1	-0.832	-0.924	5.496	26.553	26.553	0.000	0.000	0.000	0.000
5	A	577	PRO	0	0.035	0.011	7.400	-2.744	-2.744	0.000	0.000	0.000	0.000
6	A	578	THR	0	0.009	0.009	9.979	-2.138	-2.138	0.000	0.000	0.000	0.000
7	A	579	LEU	0	0.004	-0.014	9.946	-1.701	-1.701	0.000	0.000	0.000	0.000
8	A	580	ALA	0	0.027	0.017	9.651	-1.602	-1.602	0.000	0.000	0.000	0.000
9	A	581	VAL	0	-0.019	-0.003	11.767	-1.528	-1.528	0.000	0.000	0.000	0.000
10	A	582	ILE	0	-0.010	-0.006	14.614	-1.378	-1.378	0.000	0.000	0.000	0.000
11	A	583	CYS	0	-0.063	-0.036	14.318	-0.944	-0.944	0.000	0.000	0.000	0.000
12	A	584	GLY	0	0.043	0.010	15.653	-0.841	-0.841	0.000	0.000	0.000	0.000
13	A	585	ALA	0	0.009	0.010	17.245	-0.832	-0.832	0.000	0.000	0.000	0.000
14	A	586	ALA	0	0.015	0.004	19.888	-0.730	-0.730	0.000	0.000	0.000	0.000
15	A	587	THR	0	-0.021	-0.017	18.400	-0.586	-0.586	0.000	0.000	0.000	0.000
16	A	588	LYS	1	0.914	0.960	19.837	-14.158	-14.158	0.000	0.000	0.000	0.000
17	A	589	ALA	0	0.000	0.010	22.888	-0.536	-0.536	0.000	0.000	0.000	0.000
18	A	590	PHE	0	-0.034	-0.022	23.793	-0.409	-0.409	0.000	0.000	0.000	0.000
19	A	591	LEU	0	0.024	0.002	21.679	-0.454	-0.454	0.000	0.000	0.000	0.000
20	A	592	ALA	0	0.026	0.031	25.880	-0.411	-0.411	0.000	0.000	0.000	0.000
21	A	593	SER	0	-0.045	-0.021	28.836	-0.427	-0.427	0.000	0.000	0.000	0.000
22	A	594	GLU	-1	-0.825	-0.902	27.544	9.587	9.587	0.000	0.000	0.000	0.000
23	A	595	GLU	-1	-0.967	-0.978	29.866	9.400	9.400	0.000	0.000	0.000	0.000
24	A	596	ALA	0	-0.043	-0.022	31.542	-0.333	-0.333	0.000	0.000	0.000	0.000
25	A	597	ARG	1	0.799	0.868	30.957	-9.507	-9.507	0.000	0.000	0.000	0.000
26	A	598	HIS	0	0.017	-0.004	30.898	-0.500	-0.500	0.000	0.000	0.000	0.000
27	A	599	LYS	1	0.953	0.998	35.368	-8.035	-8.035	0.000	0.000	0.000	0.000
28	A	600	TYR	0	-0.062	-0.045	37.504	-0.260	-0.260	0.000	0.000	0.000	0.000
29	A	601	ILE	0	0.018	0.001	37.150	-0.267	-0.267	0.000	0.000	0.000	0.000
30	A	602	GLU	-1	-0.808	-0.895	37.794	7.388	7.388	0.000	0.000	0.000	0.000
31	A	603	SER	0	-0.078	-0.060	40.563	-0.192	-0.192	0.000	0.000	0.000	0.000
32	A	604	LEU	0	-0.009	0.008	42.990	-0.191	-0.191	0.000	0.000	0.000	0.000
33	A	605	GLN	0	-0.035	-0.036	39.985	-0.126	-0.126	0.000	0.000	0.000	0.000
34	A	606	LYS	1	0.793	0.901	41.236	-7.339	-7.339	0.000	0.000	0.000	0.000
35	A	607	GLY	0	0.001	0.014	46.865	-0.136	-0.136	0.000	0.000	0.000	0.000
36	A	608	GLN	0	-0.031	-0.004	46.907	-0.165	-0.165	0.000	0.000	0.000	0.000
37	A	609	VAL	0	0.012	0.013	46.211	0.173	0.173	0.000	0.000	0.000	0.000
38	A	610	LEU	0	0.002	0.012	41.836	-0.053	-0.053	0.000	0.000	0.000	0.000
39	A	611	SER	0	-0.021	-0.041	44.614	0.016	0.016	0.000	0.000	0.000	0.000
40	A	612	LYS	1	0.954	0.945	43.159	-6.627	-6.627	0.000	0.000	0.000	0.000
41	A	613	ASP	-1	-0.835	-0.894	41.571	7.140	7.140	0.000	0.000	0.000	0.000
42	A	614	LEU	0	-0.020	-0.003	38.679	0.193	0.193	0.000	0.000	0.000	0.000
43	A	615	LEU	0	-0.030	-0.003	37.401	0.202	0.202	0.000	0.000	0.000	0.000
44	A	616	GLN	0	0.034	0.018	34.660	0.025	0.025	0.000	0.000	0.000	0.000
45	A	617	THR	0	0.002	0.007	33.588	0.190	0.190	0.000	0.000	0.000	0.000
46	A	618	MET	0	-0.039	0.005	31.394	0.264	0.264	0.000	0.000	0.000	0.000
47	A	619	PHE	0	0.027	-0.003	28.214	-0.125	-0.125	0.000	0.000	0.000	0.000
48	A	620	PRO	0	-0.015	-0.007	27.852	0.330	0.330	0.000	0.000	0.000	0.000
49	A	621	VAL	0	-0.018	0.000	22.024	0.023	0.023	0.000	0.000	0.000	0.000
50	A	622	ASP	-1	-0.820	-0.919	23.249	12.214	12.214	0.000	0.000	0.000	0.000
51	A	623	PHE	0	-0.017	0.008	16.393	-0.012	-0.012	0.000	0.000	0.000	0.000
52	A	624	ILE	0	0.029	0.007	16.758	-0.129	-0.129	0.000	0.000	0.000	0.000
53	A	625	HIS	0	-0.039	0.011	9.592	0.710	0.710	0.000	0.000	0.000	0.000
54	A	626	GLU	-1	-0.812	-0.884	9.057	29.767	29.767	0.000	0.000	0.000	0.000
55	A	627	GLY	0	0.057	0.018	12.599	-0.628	-0.628	0.000	0.000	0.000	0.000
56	A	628	LYS	1	0.881	0.943	15.329	-19.758	-19.758	0.000	0.000	0.000	0.000
57	A	629	ARG	1	0.790	0.880	17.580	-11.676	-11.676	0.000	0.000	0.000	0.000
58	A	630	TYR	0	-0.025	-0.029	14.901	0.132	0.132	0.000	0.000	0.000	0.000
59	A	631	LYS	1	0.996	1.000	20.425	-10.738	-10.738	0.000	0.000	0.000	0.000
60	A	632	PHE	0	0.004	-0.009	18.789	-0.098	-0.098	0.000	0.000	0.000	0.000
61	A	633	THR	0	-0.031	-0.014	24.236	-0.506	-0.506	0.000	0.000	0.000	0.000
62	A	634	VAL	0	-0.006	-0.006	24.218	0.195	0.195	0.000	0.000	0.000	0.000
63	A	635	ALA	0	0.040	0.031	27.313	-0.294	-0.294	0.000	0.000	0.000	0.000
64	A	636	LYS	1	0.851	0.936	29.103	-9.640	-9.640	0.000	0.000	0.000	0.000
65	A	637	SER	0	0.021	-0.009	30.485	-0.267	-0.267	0.000	0.000	0.000	0.000
66	A	638	GLY	0	0.054	0.001	32.083	-0.211	-0.211	0.000	0.000	0.000	0.000
67	A	639	ASN	0	-0.012	0.010	31.569	0.177	0.177	0.000	0.000	0.000	0.000
68	A	640	ASP	-1	-0.805	-0.897	28.545	10.131	10.131	0.000	0.000	0.000	0.000
69	A	641	ARG	1	0.912	0.974	27.398	-9.511	-9.511	0.000	0.000	0.000	0.000
70	A	642	TYR	0	0.066	0.036	25.200	-0.422	-0.422	0.000	0.000	0.000	0.000
71	A	643	THR	0	-0.016	-0.009	25.922	0.095	0.095	0.000	0.000	0.000	0.000
72	A	644	LEU	0	-0.040	-0.004	20.344	-0.307	-0.307	0.000	0.000	0.000	0.000
73	A	645	PHE	0	0.014	-0.001	24.565	-0.027	-0.027	0.000	0.000	0.000	0.000
74	A	646	ILE	0	-0.041	-0.020	20.687	0.081	0.081	0.000	0.000	0.000	0.000
75	A	647	ASN	0	-0.006	-0.018	23.235	-0.466	-0.466	0.000	0.000	0.000	0.000
76	A	648	GLY	0	0.005	0.009	25.977	-0.311	-0.311	0.000	0.000	0.000	0.000
77	A	649	SER	0	-0.001	0.014	23.472	-0.114	-0.114	0.000	0.000	0.000	0.000
78	A	650	LYS	1	0.838	0.899	25.115	-10.385	-10.385	0.000	0.000	0.000	0.000
79	A	651	CYS	0	0.008	0.006	21.205	0.423	0.423	0.000	0.000	0.000	0.000
80	A	652	ASP	-1	-0.854	-0.909	23.594	10.798	10.798	0.000	0.000	0.000	0.000
81	A	653	ILE	0	0.014	0.002	19.519	0.451	0.451	0.000	0.000	0.000	0.000
82	A	654	ILE	0	-0.057	-0.034	23.191	-0.622	-0.622	0.000	0.000	0.000	0.000
83	A	655	LEU	0	-0.001	0.002	21.493	0.594	0.594	0.000	0.000	0.000	0.000
84	A	656	ARG	1	0.850	0.902	23.381	-11.225	-11.225	0.000	0.000	0.000	0.000
85	A	657	GLN	0	0.026	0.012	23.104	0.280	0.280	0.000	0.000	0.000	0.000
86	A	658	LEU	0	-0.074	-0.027	19.013	-0.317	-0.317	0.000	0.000	0.000	0.000
87	A	659	SER	0	0.028	0.012	23.389	-0.296	-0.296	0.000	0.000	0.000	0.000
88	A	660	ASP	-1	-0.852	-0.898	20.024	13.175	13.175	0.000	0.000	0.000	0.000
89	A	661	GLY	0	0.029	0.000	21.849	-0.124	-0.124	0.000	0.000	0.000	0.000
90	A	662	GLY	0	0.010	0.014	18.692	0.209	0.209	0.000	0.000	0.000	0.000
91	A	663	LEU	0	-0.042	-0.028	18.236	-0.660	-0.660	0.000	0.000	0.000	0.000
92	A	664	LEU	0	-0.003	0.001	17.985	0.947	0.947	0.000	0.000	0.000	0.000
93	A	665	ILE	0	0.023	0.007	18.033	-0.667	-0.667	0.000	0.000	0.000	0.000
94	A	666	ALA	0	-0.031	-0.025	18.858	0.640	0.640	0.000	0.000	0.000	0.000
95	A	667	ILE	0	-0.002	-0.003	15.898	-0.565	-0.565	0.000	0.000	0.000	0.000
96	A	668	GLY	0	0.053	0.029	19.842	0.191	0.191	0.000	0.000	0.000	0.000
97	A	669	GLY	0	-0.034	-0.026	21.100	0.339	0.339	0.000	0.000	0.000	0.000
98	A	670	LYS	1	0.978	0.982	13.817	-20.121	-20.121	0.000	0.000	0.000	0.000
99	A	671	SER	0	-0.032	-0.016	18.006	0.232	0.232	0.000	0.000	0.000	0.000
100	A	672	HIS	1	0.852	0.911	12.853	-19.277	-19.277	0.000	0.000	0.000	0.000
101	A	673	THR	0	-0.018	0.008	14.191	-0.637	-0.637	0.000	0.000	0.000	0.000
102	A	674	ILE	0	-0.003	-0.009	13.641	1.288	1.288	0.000	0.000	0.000	0.000
103	A	675	TYR	0	-0.048	-0.031	13.711	-0.880	-0.880	0.000	0.000	0.000	0.000
104	A	676	TRP	0	0.031	0.024	13.987	1.378	1.378	0.000	0.000	0.000	0.000
105	A	677	LYS	1	0.959	0.976	15.978	-15.691	-15.691	0.000	0.000	0.000	0.000
106	A	678	GLU	-1	-0.787	-0.861	17.396	14.293	14.293	0.000	0.000	0.000	0.000
107	A	679	GLU	-1	-0.861	-0.920	15.770	16.932	16.932	0.000	0.000	0.000	0.000
108	A	680	VAL	0	-0.023	-0.019	20.061	-0.174	-0.174	0.000	0.000	0.000	0.000
109	A	681	ALA	0	0.002	0.003	20.563	-0.422	-0.422	0.000	0.000	0.000	0.000
110	A	682	ALA	0	0.007	0.007	16.609	0.249	0.249	0.000	0.000	0.000	0.000
111	A	683	THR	0	-0.042	-0.045	17.146	-0.414	-0.414	0.000	0.000	0.000	0.000
112	A	684	ARG	1	0.855	0.924	10.357	-19.582	-19.582	0.000	0.000	0.000	0.000
113	A	685	LEU	0	-0.007	0.004	12.566	-0.753	-0.753	0.000	0.000	0.000	0.000
114	A	686	SER	0	-0.036	-0.027	9.536	1.577	1.577	0.000	0.000	0.000	0.000
115	A	687	VAL	0	0.013	0.001	9.507	-1.810	-1.810	0.000	0.000	0.000	0.000
116	A	688	ASP	-1	-0.778	-0.877	8.910	24.105	24.105	0.000	0.000	0.000	0.000
117	A	689	SER	0	-0.090	-0.050	8.421	1.405	1.405	0.000	0.000	0.000	0.000
118	A	690	MET	0	0.037	0.048	3.739	2.243	2.526	0.000	-0.068	-0.215	0.000
119	A	691	THR	0	-0.059	-0.049	5.740	-3.178	-3.178	0.000	0.000	0.000	0.000
120	A	692	THR	0	-0.006	-0.031	6.649	3.521	3.521	0.000	0.000	0.000	0.000
121	A	693	LEU	0	-0.003	0.002	9.178	-1.375	-1.375	0.000	0.000	0.000	0.000
122	A	694	LEU	0	-0.055	-0.022	12.530	0.294	0.294	0.000	0.000	0.000	0.000
123	A	695	GLU	-1	-0.884	-0.945	14.881	17.247	17.247	0.000	0.000	0.000	0.000
124	A	696	VAL	0	0.004	-0.003	17.705	-0.297	-0.297	0.000	0.000	0.000	0.000
125	A	697	GLU	-1	-0.832	-0.906	21.293	11.802	11.802	0.000	0.000	0.000	0.000
126	A	698	ASN	0	-0.029	-0.018	21.253	-0.607	-0.607	0.000	0.000	0.000	0.000
127	A	699	ASP	-1	-0.780	-0.875	23.991	9.670	9.670	0.000	0.000	0.000	0.000
128	A	700	PRO	0	-0.023	-0.018	26.140	-0.134	-0.134	0.000	0.000	0.000	0.000
129	A	701	THR	0	-0.043	-0.015	27.503	-0.199	-0.199	0.000	0.000	0.000	0.000
130	A	702	GLN	0	-0.025	-0.020	28.666	-0.093	-0.093	0.000	0.000	0.000	0.000
131	A	703	LEU	0	0.018	0.021	28.512	0.431	0.431	0.000	0.000	0.000	0.000
132	A	704	ARG	1	0.822	0.885	26.500	-10.657	-10.657	0.000	0.000	0.000	0.000
133	A	705	THR	0	0.020	0.001	27.269	0.253	0.253	0.000	0.000	0.000	0.000
134	A	706	PRO	0	-0.024	-0.006	23.425	0.138	0.138	0.000	0.000	0.000	0.000
135	A	707	SER	0	0.006	-0.007	24.318	0.373	0.373	0.000	0.000	0.000	0.000
136	A	708	PRO	0	-0.034	-0.007	26.652	-0.212	-0.212	0.000	0.000	0.000	0.000
137	A	709	GLY	0	-0.006	-0.009	30.202	0.108	0.108	0.000	0.000	0.000	0.000
138	A	710	LYS	1	0.878	0.941	33.288	-7.713	-7.713	0.000	0.000	0.000	0.000
139	A	711	LEU	0	0.024	0.034	35.246	0.179	0.179	0.000	0.000	0.000	0.000
140	A	712	VAL	0	-0.056	-0.024	36.683	-0.268	-0.268	0.000	0.000	0.000	0.000
141	A	713	LYS	1	0.846	0.903	37.968	-7.845	-7.845	0.000	0.000	0.000	0.000
142	A	714	PHE	0	0.015	0.010	35.664	0.268	0.268	0.000	0.000	0.000	0.000
143	A	715	LEU	0	-0.121	-0.054	34.780	-0.175	-0.175	0.000	0.000	0.000	0.000
144	A	716	VAL	0	0.045	0.018	36.921	0.106	0.106	0.000	0.000	0.000	0.000
145	A	717	GLU	-1	-0.967	-0.969	39.660	6.620	6.620	0.000	0.000	0.000	0.000
146	A	718	ASN	0	0.010	-0.011	41.200	0.295	0.295	0.000	0.000	0.000	0.000
147	A	719	GLY	0	0.003	-0.002	41.465	-0.146	-0.146	0.000	0.000	0.000	0.000
148	A	720	GLU	-1	-0.873	-0.923	39.732	7.578	7.578	0.000	0.000	0.000	0.000
149	A	721	HIS	0	-0.081	-0.067	35.331	0.088	0.088	0.000	0.000	0.000	0.000
150	A	722	ILE	0	-0.010	-0.002	32.321	0.038	0.038	0.000	0.000	0.000	0.000
151	A	723	ILE	0	0.028	0.013	30.974	0.152	0.152	0.000	0.000	0.000	0.000
152	A	724	LYS	1	0.752	0.855	23.586	-12.015	-12.015	0.000	0.000	0.000	0.000
153	A	725	GLY	0	-0.005	-0.008	26.832	-0.031	-0.031	0.000	0.000	0.000	0.000
154	A	726	GLN	0	0.054	0.035	27.647	0.014	0.014	0.000	0.000	0.000	0.000
155	A	727	PRO	0	-0.032	-0.036	30.699	0.085	0.085	0.000	0.000	0.000	0.000
156	A	728	TYR	0	0.046	0.028	29.328	-0.317	-0.317	0.000	0.000	0.000	0.000
157	A	729	ALA	0	-0.003	-0.003	33.001	-0.262	-0.262	0.000	0.000	0.000	0.000
158	A	730	GLU	-1	-0.799	-0.875	33.116	8.209	8.209	0.000	0.000	0.000	0.000
159	A	731	ILE	0	0.012	-0.005	30.462	-0.255	-0.255	0.000	0.000	0.000	0.000
160	A	732	GLU	-1	-0.848	-0.921	33.438	7.841	7.841	0.000	0.000	0.000	0.000
161	A	733	VAL	0	-0.015	-0.024	28.318	0.003	0.003	0.000	0.000	0.000	0.000
162	A	734	MET	0	0.065	0.015	30.065	-0.096	-0.096	0.000	0.000	0.000	0.000
163	A	735	LYS	1	0.939	0.979	32.761	-7.652	-7.652	0.000	0.000	0.000	0.000
164	A	736	MET	0	-0.040	0.005	30.801	-0.284	-0.284	0.000	0.000	0.000	0.000
165	A	737	GLN	0	-0.009	-0.021	33.056	-0.085	-0.085	0.000	0.000	0.000	0.000
166	A	738	MET	0	-0.023	-0.018	25.227	0.262	0.262	0.000	0.000	0.000	0.000
167	A	739	PRO	0	0.010	0.026	29.133	-0.205	-0.205	0.000	0.000	0.000	0.000
168	A	740	LEU	0	-0.016	0.008	27.448	0.424	0.424	0.000	0.000	0.000	0.000
169	A	741	VAL	0	0.017	0.001	26.432	-0.265	-0.265	0.000	0.000	0.000	0.000
170	A	742	SER	0	0.021	0.030	27.266	0.399	0.399	0.000	0.000	0.000	0.000
171	A	743	GLN	0	0.031	-0.003	23.022	0.675	0.675	0.000	0.000	0.000	0.000
172	A	744	GLU	-1	-0.760	-0.861	25.574	11.719	11.719	0.000	0.000	0.000	0.000
173	A	745	ASN	0	-0.005	0.001	28.240	-0.215	-0.215	0.000	0.000	0.000	0.000
174	A	746	GLY	0	0.069	0.052	31.677	0.032	0.032	0.000	0.000	0.000	0.000
175	A	747	ILE	0	-0.017	0.004	34.921	-0.046	-0.046	0.000	0.000	0.000	0.000
176	A	748	VAL	0	0.006	0.005	34.746	0.091	0.091	0.000	0.000	0.000	0.000
177	A	749	GLN	0	-0.022	-0.022	37.224	-0.417	-0.417	0.000	0.000	0.000	0.000
178	A	750	LEU	0	-0.025	-0.011	37.760	0.216	0.216	0.000	0.000	0.000	0.000
179	A	751	LEU	0	-0.027	-0.003	36.121	-0.160	-0.160	0.000	0.000	0.000	0.000
180	A	752	LYS	1	0.807	0.903	35.347	-8.506	-8.506	0.000	0.000	0.000	0.000
181	A	753	GLN	0	0.013	0.000	38.598	-0.139	-0.139	0.000	0.000	0.000	0.000
182	A	754	PRO	0	0.045	0.022	40.370	0.104	0.104	0.000	0.000	0.000	0.000
183	A	755	GLY	0	-0.004	0.004	40.367	-0.183	-0.183	0.000	0.000	0.000	0.000
184	A	756	SER	0	-0.086	-0.043	39.440	0.043	0.043	0.000	0.000	0.000	0.000
185	A	757	THR	0	0.009	-0.008	36.841	0.132	0.132	0.000	0.000	0.000	0.000
186	A	758	ILE	0	-0.039	-0.032	32.694	-0.016	-0.016	0.000	0.000	0.000	0.000
187	A	759	VAL	0	-0.008	-0.010	30.746	0.081	0.081	0.000	0.000	0.000	0.000
188	A	760	ALA	0	0.020	-0.005	26.234	0.118	0.118	0.000	0.000	0.000	0.000
189	A	761	GLY	0	0.065	0.037	26.845	-0.090	-0.090	0.000	0.000	0.000	0.000
190	A	762	ASP	-1	-0.770	-0.854	27.508	8.614	8.614	0.000	0.000	0.000	0.000
191	A	763	ILE	0	-0.031	-0.021	30.708	0.178	0.178	0.000	0.000	0.000	0.000
192	A	764	MET	0	0.001	0.010	31.319	-0.310	-0.310	0.000	0.000	0.000	0.000
193	A	765	ALA	0	0.022	-0.003	33.171	-0.312	-0.312	0.000	0.000	0.000	0.000
194	A	766	ILE	0	-0.004	0.007	33.137	0.290	0.290	0.000	0.000	0.000	0.000
195	A	767	MET	0	-0.020	0.006	31.636	-0.120	-0.120	0.000	0.000	0.000	0.000
196	A	768	THR	0	0.003	0.004	33.989	0.164	0.164	0.000	0.000	0.000	0.000
197	A	769	LEU	0	0.013	-0.013	29.660	0.192	0.192	0.000	0.000	0.000	0.000
198	A	770	ASP	-1	-0.834	-0.924	33.294	8.624	8.624	0.000	0.000	0.000	0.000
199	A	771	ASP	-1	-0.858	-0.915	31.181	9.838	9.838	0.000	0.000	0.000	0.000
200	A	772	PRO	0	-0.017	-0.021	30.861	0.365	0.365	0.000	0.000	0.000	0.000
201	A	773	SER	0	-0.086	-0.056	30.454	0.272	0.272	0.000	0.000	0.000	0.000
202	A	774	LYS	1	0.840	0.917	25.885	-10.893	-10.893	0.000	0.000	0.000	0.000
203	A	775	VAL	0	-0.039	-0.016	25.739	0.607	0.607	0.000	0.000	0.000	0.000
204	A	776	LYS	1	0.927	0.959	19.883	-14.666	-14.666	0.000	0.000	0.000	0.000
205	A	777	HIS	0	0.027	0.020	22.403	0.591	0.591	0.000	0.000	0.000	0.000
206	A	778	ALA	0	0.017	0.015	19.609	0.285	0.285	0.000	0.000	0.000	0.000
207	A	779	LEU	0	-0.005	-0.004	19.891	-0.548	-0.548	0.000	0.000	0.000	0.000
208	A	780	PRO	0	0.021	0.013	20.438	0.654	0.654	0.000	0.000	0.000	0.000
209	A	781	PHE	0	-0.049	-0.024	16.764	0.466	0.466	0.000	0.000	0.000	0.000
210	A	782	GLU	-1	-0.901	-0.941	20.476	13.121	13.121	0.000	0.000	0.000	0.000
211	A	783	GLY	0	-0.011	-0.003	20.487	-0.457	-0.457	0.000	0.000	0.000	0.000
212	A	784	MET	0	0.008	0.016	21.473	-0.630	-0.630	0.000	0.000	0.000	0.000
213	A	785	LEU	0	-0.015	-0.027	18.569	0.764	0.764	0.000	0.000	0.000	0.000
214	A	786	PRO	0	-0.028	-0.004	17.015	-0.573	-0.573	0.000	0.000	0.000	0.000
215	A	787	ASP	-1	-0.920	-0.966	20.281	12.612	12.612	0.000	0.000	0.000	0.000
216	A	788	PHE	0	-0.006	0.000	15.342	0.316	0.316	0.000	0.000	0.000	0.000
217	A	789	GLY	0	-0.003	-0.004	20.767	-0.689	-0.689	0.000	0.000	0.000	0.000
218	A	790	SER	0	-0.024	-0.004	21.329	0.226	0.226	0.000	0.000	0.000	0.000
219	A	791	PRO	0	-0.019	-0.019	23.653	-0.432	-0.432	0.000	0.000	0.000	0.000
220	A	792	VAL	0	-0.031	-0.004	27.275	-0.028	-0.028	0.000	0.000	0.000	0.000
221	A	793	ILE	0	0.061	0.031	30.124	-0.053	-0.053	0.000	0.000	0.000	0.000
222	A	794	GLU	-1	-0.799	-0.889	32.108	8.113	8.113	0.000	0.000	0.000	0.000
223	A	795	GLY	0	0.054	0.021	35.439	-0.122	-0.122	0.000	0.000	0.000	0.000
224	A	796	THR	0	-0.019	0.024	33.868	-0.108	-0.108	0.000	0.000	0.000	0.000
225	A	797	LYS	1	0.994	0.984	33.876	-9.039	-9.039	0.000	0.000	0.000	0.000
226	A	798	PRO	0	0.008	-0.003	36.121	0.029	0.029	0.000	0.000	0.000	0.000
227	A	799	ALA	0	0.062	0.040	36.763	-0.059	-0.059	0.000	0.000	0.000	0.000
228	A	800	TYR	0	0.027	0.009	29.999	0.035	0.035	0.000	0.000	0.000	0.000
229	A	801	LYS	1	0.836	0.932	34.843	-7.683	-7.683	0.000	0.000	0.000	0.000
230	A	802	PHE	0	-0.004	-0.007	37.032	-0.058	-0.058	0.000	0.000	0.000	0.000
231	A	803	LYS	1	0.875	0.909	34.953	-8.514	-8.514	0.000	0.000	0.000	0.000
232	A	804	SER	0	0.002	0.007	33.548	0.150	0.150	0.000	0.000	0.000	0.000
233	A	805	LEU	0	-0.013	0.005	35.060	-0.007	-0.007	0.000	0.000	0.000	0.000
234	A	806	VAL	0	0.030	0.017	38.387	-0.073	-0.073	0.000	0.000	0.000	0.000
235	A	807	SER	0	0.022	0.019	34.563	0.058	0.058	0.000	0.000	0.000	0.000
236	A	808	THR	0	-0.043	-0.023	35.950	0.097	0.097	0.000	0.000	0.000	0.000
237	A	809	LEU	0	0.014	-0.009	37.156	-0.067	-0.067	0.000	0.000	0.000	0.000
238	A	810	GLU	-1	-0.836	-0.896	38.569	7.535	7.535	0.000	0.000	0.000	0.000
239	A	811	ASN	0	-0.010	-0.017	34.118	-0.224	-0.224	0.000	0.000	0.000	0.000
240	A	812	ILE	0	-0.032	0.000	38.152	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	813	LEU	0	-0.015	-0.004	40.463	-0.143	-0.143	0.000	0.000	0.000	0.000
242	A	814	LYS	1	0.784	0.869	38.470	-7.805	-7.805	0.000	0.000	0.000	0.000
243	A	815	GLY	0	0.009	0.017	40.450	0.014	0.014	0.000	0.000	0.000	0.000
244	A	816	TYR	0	-0.041	-0.035	34.029	0.163	0.163	0.000	0.000	0.000	0.000
245	A	817	ASP	-1	-0.821	-0.907	37.509	7.870	7.870	0.000	0.000	0.000	0.000
246	A	818	ASN	0	-0.040	-0.002	34.552	-0.134	-0.134	0.000	0.000	0.000	0.000
247	A	819	GLN	0	-0.009	-0.027	33.965	0.479	0.479	0.000	0.000	0.000	0.000
248	A	820	VAL	0	-0.004	0.007	32.196	-0.185	-0.185	0.000	0.000	0.000	0.000
249	A	821	ILE	0	0.009	0.001	34.693	0.104	0.104	0.000	0.000	0.000	0.000
250	A	822	MET	0	-0.005	-0.005	36.708	-0.045	-0.045	0.000	0.000	0.000	0.000
251	A	823	ASN	0	0.051	0.022	38.379	-0.053	-0.053	0.000	0.000	0.000	0.000
252	A	824	ALA	0	0.006	0.013	41.142	-0.176	-0.176	0.000	0.000	0.000	0.000
253	A	825	SER	0	-0.002	-0.006	40.713	-0.087	-0.087	0.000	0.000	0.000	0.000
254	A	826	LEU	0	0.043	0.024	42.303	0.027	0.027	0.000	0.000	0.000	0.000
255	A	827	GLN	0	0.046	0.012	45.581	-0.077	-0.077	0.000	0.000	0.000	0.000
256	A	828	GLN	0	0.050	0.008	40.881	0.095	0.095	0.000	0.000	0.000	0.000
257	A	829	LEU	0	-0.009	0.010	41.996	0.097	0.097	0.000	0.000	0.000	0.000
258	A	830	ILE	0	0.013	-0.001	44.136	-0.021	-0.021	0.000	0.000	0.000	0.000
259	A	831	GLU	-1	-0.905	-0.937	43.993	7.163	7.163	0.000	0.000	0.000	0.000
260	A	832	VAL	0	-0.058	-0.038	41.161	-0.028	-0.028	0.000	0.000	0.000	0.000
261	A	833	LEU	0	-0.004	0.000	44.535	0.002	0.002	0.000	0.000	0.000	0.000
262	A	834	ARG	1	0.822	0.900	46.818	-6.210	-6.210	0.000	0.000	0.000	0.000
263	A	835	ASN	0	-0.004	-0.002	43.930	-0.165	-0.165	0.000	0.000	0.000	0.000
264	A	836	PRO	0	0.048	0.013	46.878	0.125	0.125	0.000	0.000	0.000	0.000
265	A	837	LYS	1	0.946	0.966	43.883	-6.939	-6.939	0.000	0.000	0.000	0.000
266	A	838	LEU	0	-0.013	0.018	41.207	0.200	0.200	0.000	0.000	0.000	0.000
267	A	839	PRO	0	0.054	0.030	42.509	0.165	0.165	0.000	0.000	0.000	0.000
268	A	840	TYR	0	0.026	0.005	43.284	0.104	0.104	0.000	0.000	0.000	0.000
269	A	841	SER	0	-0.053	-0.047	38.914	0.219	0.219	0.000	0.000	0.000	0.000
270	A	842	GLU	-1	-0.801	-0.906	38.368	8.071	8.071	0.000	0.000	0.000	0.000
271	A	843	TRP	0	0.011	-0.007	38.788	0.175	0.175	0.000	0.000	0.000	0.000
272	A	844	LYS	1	0.793	0.878	37.050	-7.965	-7.965	0.000	0.000	0.000	0.000
273	A	845	LEU	0	-0.042	-0.028	32.115	0.200	0.200	0.000	0.000	0.000	0.000
274	A	846	HIS	0	0.033	0.022	34.224	0.182	0.182	0.000	0.000	0.000	0.000
275	A	847	ILE	0	0.048	0.026	35.500	0.166	0.166	0.000	0.000	0.000	0.000
276	A	848	SER	0	-0.073	-0.030	32.119	0.101	0.101	0.000	0.000	0.000	0.000
277	A	849	ALA	0	0.008	0.002	31.208	0.156	0.156	0.000	0.000	0.000	0.000
278	A	850	LEU	0	-0.011	-0.010	32.244	0.081	0.081	0.000	0.000	0.000	0.000
279	A	851	HIS	1	0.862	0.909	34.835	-8.673	-8.673	0.000	0.000	0.000	0.000
280	A	852	SER	0	0.028	0.017	31.803	-0.224	-0.224	0.000	0.000	0.000	0.000
281	A	853	ARG	1	0.945	0.973	30.058	-9.746	-9.746	0.000	0.000	0.000	0.000
282	A	854	LEU	0	-0.029	0.005	36.012	-0.221	-0.221	0.000	0.000	0.000	0.000
283	A	855	PRO	0	0.040	0.018	39.510	0.047	0.047	0.000	0.000	0.000	0.000
284	A	856	ALA	0	0.044	0.013	41.151	-0.041	-0.041	0.000	0.000	0.000	0.000
285	A	857	LYS	1	0.974	0.991	42.330	-6.330	-6.330	0.000	0.000	0.000	0.000
286	A	858	LEU	0	-0.008	-0.009	43.872	-0.101	-0.101	0.000	0.000	0.000	0.000
287	A	859	ASP	-1	-0.818	-0.899	39.839	7.991	7.991	0.000	0.000	0.000	0.000
288	A	860	GLU	-1	-0.880	-0.930	42.966	6.953	6.953	0.000	0.000	0.000	0.000
289	A	861	GLN	0	-0.024	-0.007	45.404	-0.096	-0.096	0.000	0.000	0.000	0.000
290	A	862	MET	0	-0.032	-0.011	42.574	-0.141	-0.141	0.000	0.000	0.000	0.000
291	A	863	GLU	-1	-0.881	-0.933	42.734	7.430	7.430	0.000	0.000	0.000	0.000
292	A	864	GLU	-1	-0.763	-0.865	45.188	6.128	6.128	0.000	0.000	0.000	0.000
293	A	865	LEU	0	-0.056	-0.037	48.517	-0.155	-0.155	0.000	0.000	0.000	0.000
294	A	866	VAL	0	0.029	0.009	45.076	-0.143	-0.143	0.000	0.000	0.000	0.000
295	A	867	ALA	0	0.019	0.001	46.925	-0.087	-0.087	0.000	0.000	0.000	0.000
296	A	868	ARG	1	0.820	0.881	48.483	-6.161	-6.161	0.000	0.000	0.000	0.000
297	A	869	SER	0	-0.056	-0.042	50.425	-0.176	-0.176	0.000	0.000	0.000	0.000
298	A	870	LEU	0	-0.084	-0.023	46.257	-0.042	-0.042	0.000	0.000	0.000	0.000
299	A	871	ARG	1	0.840	0.938	50.322	-6.287	-6.287	0.000	0.000	0.000	0.000
300	A	872	ARG	1	0.925	0.972	54.297	-5.873	-5.873	0.000	0.000	0.000	0.000
301	A	873	GLY	0	0.035	0.018	55.263	-0.110	-0.110	0.000	0.000	0.000	0.000
302	A	874	ALA	0	-0.001	0.006	51.637	0.095	0.095	0.000	0.000	0.000	0.000
303	A	875	VAL	0	-0.030	-0.021	51.572	0.041	0.041	0.000	0.000	0.000	0.000
304	A	876	PHE	0	0.032	0.023	45.343	-0.045	-0.045	0.000	0.000	0.000	0.000
305	A	877	PRO	0	-0.001	0.011	48.995	-0.115	-0.115	0.000	0.000	0.000	0.000
306	A	878	ALA	0	0.036	0.015	49.792	0.035	0.035	0.000	0.000	0.000	0.000
307	A	879	ARG	1	0.928	0.952	50.820	-5.630	-5.630	0.000	0.000	0.000	0.000
308	A	880	GLN	0	-0.001	-0.019	52.840	0.008	0.008	0.000	0.000	0.000	0.000
309	A	881	LEU	0	0.023	0.020	46.615	-0.012	-0.012	0.000	0.000	0.000	0.000
310	A	882	SER	0	0.049	0.020	49.236	0.113	0.113	0.000	0.000	0.000	0.000
311	A	883	LYS	1	0.873	0.949	50.858	-5.904	-5.904	0.000	0.000	0.000	0.000
312	A	884	LEU	0	-0.034	-0.024	49.442	-0.021	-0.021	0.000	0.000	0.000	0.000
313	A	885	ILE	0	0.059	0.032	45.088	0.021	0.021	0.000	0.000	0.000	0.000
314	A	886	ASP	-1	-0.826	-0.885	48.323	6.064	6.064	0.000	0.000	0.000	0.000
315	A	887	MET	0	-0.039	-0.033	50.938	-0.045	-0.045	0.000	0.000	0.000	0.000
316	A	888	ALA	0	-0.016	0.001	47.149	-0.015	-0.015	0.000	0.000	0.000	0.000
317	A	889	VAL	0	0.004	-0.002	45.983	0.041	0.041	0.000	0.000	0.000	0.000
318	A	890	LYS	1	0.809	0.886	48.437	-5.844	-5.844	0.000	0.000	0.000	0.000
319	A	891	ASN	0	0.038	0.001	50.222	-0.206	-0.206	0.000	0.000	0.000	0.000
320	A	892	PRO	0	-0.017	-0.014	49.704	0.127	0.127	0.000	0.000	0.000	0.000
321	A	893	GLU	-1	-0.914	-0.945	48.983	6.534	6.534	0.000	0.000	0.000	0.000
322	A	894	TYR	0	-0.044	-0.010	46.147	0.112	0.112	0.000	0.000	0.000	0.000
323	A	895	ASN	0	-0.047	-0.023	44.607	0.356	0.356	0.000	0.000	0.000	0.000
324	A	896	PRO	0	0.007	0.013	42.805	-0.120	-0.120	0.000	0.000	0.000	0.000
325	A	897	ASP	-1	-0.905	-0.961	42.230	6.973	6.973	0.000	0.000	0.000	0.000
326	A	898	LYS	1	0.931	0.956	43.380	-6.237	-6.237	0.000	0.000	0.000	0.000
327	A	899	LEU	0	0.039	0.029	38.263	0.058	0.058	0.000	0.000	0.000	0.000
328	A	900	LEU	0	-0.027	-0.014	40.068	0.199	0.199	0.000	0.000	0.000	0.000
329	A	901	GLY	0	0.002	0.006	42.255	-0.045	-0.045	0.000	0.000	0.000	0.000
330	A	902	ALA	0	0.036	0.002	38.486	0.037	0.037	0.000	0.000	0.000	0.000
331	A	903	VAL	0	-0.053	-0.009	36.470	0.235	0.235	0.000	0.000	0.000	0.000
332	A	904	VAL	0	0.004	-0.010	38.123	0.165	0.165	0.000	0.000	0.000	0.000
333	A	905	GLU	-1	-0.888	-0.921	39.298	7.275	7.275	0.000	0.000	0.000	0.000
334	A	906	PRO	0	-0.002	-0.018	36.763	-0.097	-0.097	0.000	0.000	0.000	0.000
335	A	907	LEU	0	-0.039	-0.021	39.246	-0.044	-0.044	0.000	0.000	0.000	0.000
336	A	908	ALA	0	0.015	0.000	42.194	-0.169	-0.169	0.000	0.000	0.000	0.000
337	A	909	ASP	-1	-0.798	-0.894	42.528	7.208	7.208	0.000	0.000	0.000	0.000
338	A	910	ILE	0	-0.049	-0.026	40.135	-0.140	-0.140	0.000	0.000	0.000	0.000
339	A	911	ALA	0	-0.015	-0.009	44.581	-0.129	-0.129	0.000	0.000	0.000	0.000
340	A	912	HIS	0	0.037	0.031	47.614	-0.252	-0.252	0.000	0.000	0.000	0.000
341	A	913	LYS	1	0.887	0.977	41.847	-7.595	-7.595	0.000	0.000	0.000	0.000
342	A	914	TYR	0	-0.011	-0.034	43.475	-0.136	-0.136	0.000	0.000	0.000	0.000
343	A	915	SER	0	-0.055	-0.056	49.668	-0.164	-0.164	0.000	0.000	0.000	0.000
344	A	916	ASN	0	-0.052	-0.016	52.775	-0.162	-0.162	0.000	0.000	0.000	0.000
345	A	917	GLY	0	0.011	0.008	53.259	-0.095	-0.095	0.000	0.000	0.000	0.000
346	A	918	LEU	0	-0.010	-0.013	48.261	0.047	0.047	0.000	0.000	0.000	0.000
347	A	919	GLU	-1	-0.759	-0.858	50.934	5.607	5.607	0.000	0.000	0.000	0.000
348	A	920	ALA	0	0.003	0.002	53.041	0.027	0.027	0.000	0.000	0.000	0.000
349	A	921	HIS	0	0.048	0.021	44.886	-0.053	-0.053	0.000	0.000	0.000	0.000
350	A	922	GLU	-1	-0.795	-0.868	48.969	6.207	6.207	0.000	0.000	0.000	0.000
351	A	923	HIS	0	-0.001	-0.014	49.681	0.135	0.135	0.000	0.000	0.000	0.000
352	A	924	SER	0	-0.056	-0.027	49.168	0.049	0.049	0.000	0.000	0.000	0.000
353	A	925	ILE	0	0.002	0.004	44.232	0.084	0.084	0.000	0.000	0.000	0.000
354	A	926	PHE	0	0.021	-0.012	47.116	0.088	0.088	0.000	0.000	0.000	0.000
355	A	927	VAL	0	-0.013	-0.003	49.534	-0.050	-0.050	0.000	0.000	0.000	0.000
356	A	928	HIS	0	-0.005	-0.008	43.548	-0.183	-0.183	0.000	0.000	0.000	0.000
357	A	929	PHE	0	-0.032	-0.014	42.815	0.042	0.042	0.000	0.000	0.000	0.000
358	A	930	LEU	0	-0.007	-0.007	47.579	0.006	0.006	0.000	0.000	0.000	0.000
359	A	931	GLU	-1	-0.762	-0.868	50.363	5.780	5.780	0.000	0.000	0.000	0.000
360	A	932	GLU	-1	-0.849	-0.894	43.102	7.334	7.334	0.000	0.000	0.000	0.000
361	A	933	TYR	0	-0.055	-0.052	47.539	0.029	0.029	0.000	0.000	0.000	0.000
362	A	934	TYR	0	-0.024	-0.055	49.078	-0.002	-0.002	0.000	0.000	0.000	0.000
363	A	935	GLU	-1	-0.839	-0.924	49.003	5.995	5.995	0.000	0.000	0.000	0.000
364	A	936	VAL	0	-0.040	-0.012	45.897	0.022	0.022	0.000	0.000	0.000	0.000
365	A	937	GLU	-1	-0.746	-0.879	49.000	6.329	6.329	0.000	0.000	0.000	0.000
366	A	938	LYS	1	0.832	0.922	52.065	-6.018	-6.018	0.000	0.000	0.000	0.000
367	A	939	LEU	0	-0.079	-0.030	49.291	-0.104	-0.104	0.000	0.000	0.000	0.000
368	A	940	PHE	0	-0.036	-0.035	48.650	0.033	0.033	0.000	0.000	0.000	0.000
369	A	941	ASN	0	-0.023	0.002	54.383	-0.017	-0.017	0.000	0.000	0.000	0.000
370	A	942	GLY	0	0.017	0.001	57.894	0.006	0.006	0.000	0.000	0.000	0.000
371	A	943	PRO	0	-0.026	-0.016	59.833	-0.013	-0.013	0.000	0.000	0.000	0.000
372	A	944	ASN	0	-0.026	-0.016	61.757	-0.003	-0.003	0.000	0.000	0.000	0.000
373	A	945	VAL	0	0.031	0.023	55.822	0.052	0.052	0.000	0.000	0.000	0.000
374	A	946	ARG	1	0.880	0.939	56.430	-5.413	-5.413	0.000	0.000	0.000	0.000
375	A	947	GLU	-1	-0.836	-0.921	50.807	6.201	6.201	0.000	0.000	0.000	0.000
376	A	948	GLU	-1	-0.849	-0.920	51.245	5.870	5.870	0.000	0.000	0.000	0.000
377	A	949	ASN	0	0.012	-0.009	51.961	0.086	0.086	0.000	0.000	0.000	0.000
378	A	950	ILE	0	0.021	0.022	51.229	0.007	0.007	0.000	0.000	0.000	0.000
379	A	951	ILE	0	0.019	0.010	46.795	0.069	0.069	0.000	0.000	0.000	0.000
380	A	952	LEU	0	-0.029	-0.013	48.659	0.098	0.098	0.000	0.000	0.000	0.000
381	A	953	LYS	1	0.844	0.913	50.505	-5.753	-5.753	0.000	0.000	0.000	0.000
382	A	954	LEU	0	0.011	0.009	47.728	0.039	0.039	0.000	0.000	0.000	0.000
383	A	955	ARG	1	0.834	0.900	45.795	-6.127	-6.127	0.000	0.000	0.000	0.000
384	A	956	ASP	-1	-0.845	-0.900	47.315	6.063	6.063	0.000	0.000	0.000	0.000
385	A	957	GLU	-1	-0.857	-0.909	49.911	5.832	5.832	0.000	0.000	0.000	0.000
386	A	958	ASN	0	-0.075	-0.040	44.454	0.141	0.141	0.000	0.000	0.000	0.000
387	A	959	PRO	0	0.046	0.018	43.977	0.186	0.186	0.000	0.000	0.000	0.000
388	A	960	LYS	1	0.903	0.947	41.243	-7.008	-7.008	0.000	0.000	0.000	0.000
389	A	961	ASP	-1	-0.844	-0.909	39.474	7.767	7.767	0.000	0.000	0.000	0.000
390	A	962	LEU	0	0.019	0.007	40.167	-0.076	-0.076	0.000	0.000	0.000	0.000
391	A	963	ASP	-1	-0.793	-0.883	35.289	8.554	8.554	0.000	0.000	0.000	0.000
392	A	964	LYS	1	0.855	0.917	38.012	-7.069	-7.069	0.000	0.000	0.000	0.000
393	A	965	VAL	0	-0.018	0.001	40.489	-0.089	-0.089	0.000	0.000	0.000	0.000
394	A	966	ALA	0	0.043	0.018	39.241	-0.108	-0.108	0.000	0.000	0.000	0.000
395	A	967	LEU	0	0.001	-0.002	36.373	-0.015	-0.015	0.000	0.000	0.000	0.000
396	A	968	THR	0	-0.029	-0.014	40.348	-0.077	-0.077	0.000	0.000	0.000	0.000
397	A	969	VAL	0	-0.005	-0.003	43.509	-0.115	-0.115	0.000	0.000	0.000	0.000
398	A	970	LEU	0	-0.033	0.000	37.575	-0.084	-0.084	0.000	0.000	0.000	0.000
399	A	971	SER	0	0.006	-0.010	41.993	-0.136	-0.136	0.000	0.000	0.000	0.000
400	A	972	HIS	1	0.807	0.876	43.511	-6.346	-6.346	0.000	0.000	0.000	0.000
401	A	973	SER	0	-0.091	-0.051	43.503	-0.081	-0.081	0.000	0.000	0.000	0.000
402	A	974	LYS	1	0.826	0.909	39.945	-7.711	-7.711	0.000	0.000	0.000	0.000
403	A	975	VAL	0	0.015	0.017	44.941	0.010	0.010	0.000	0.000	0.000	0.000
404	A	976	SER	0	-0.061	-0.033	46.944	-0.053	-0.053	0.000	0.000	0.000	0.000
405	A	977	ALA	0	0.031	0.017	43.794	-0.059	-0.059	0.000	0.000	0.000	0.000
406	A	978	LYS	1	0.843	0.930	44.917	-6.776	-6.776	0.000	0.000	0.000	0.000
407	A	979	ASN	0	0.012	-0.013	46.710	-0.001	-0.001	0.000	0.000	0.000	0.000
408	A	980	ASN	0	-0.054	-0.019	47.237	-0.054	-0.054	0.000	0.000	0.000	0.000
409	A	981	LEU	0	0.058	0.038	44.149	-0.046	-0.046	0.000	0.000	0.000	0.000
410	A	982	ILE	0	0.012	-0.002	47.765	-0.082	-0.082	0.000	0.000	0.000	0.000
411	A	983	LEU	0	-0.001	0.005	50.643	-0.122	-0.122	0.000	0.000	0.000	0.000
412	A	984	ALA	0	-0.014	0.008	49.584	-0.101	-0.101	0.000	0.000	0.000	0.000
413	A	985	ILE	0	-0.001	0.000	47.603	-0.046	-0.046	0.000	0.000	0.000	0.000
414	A	986	LEU	0	0.034	0.014	51.823	-0.084	-0.084	0.000	0.000	0.000	0.000
415	A	987	LYS	1	0.944	0.967	54.803	-5.700	-5.700	0.000	0.000	0.000	0.000
416	A	988	HIS	0	-0.029	-0.021	52.979	-0.093	-0.093	0.000	0.000	0.000	0.000
417	A	989	TYR	0	0.027	-0.016	51.983	-0.013	-0.013	0.000	0.000	0.000	0.000
418	A	990	GLN	0	0.037	0.034	56.973	-0.140	-0.140	0.000	0.000	0.000	0.000
419	A	991	PRO	0	-0.017	-0.013	58.743	-0.084	-0.084	0.000	0.000	0.000	0.000
420	A	992	LEU	0	-0.043	-0.021	55.844	-0.066	-0.066	0.000	0.000	0.000	0.000
421	A	993	CYS	0	-0.060	-0.022	59.333	-0.003	-0.003	0.000	0.000	0.000	0.000
422	A	994	LYS	1	0.942	0.981	61.997	-4.782	-4.782	0.000	0.000	0.000	0.000
423	A	995	LEU	0	-0.036	-0.004	63.145	-0.073	-0.073	0.000	0.000	0.000	0.000
424	A	996	SER	0	0.013	0.008	62.055	-0.073	-0.073	0.000	0.000	0.000	0.000
425	A	997	SER	0	0.132	0.047	63.689	0.051	0.051	0.000	0.000	0.000	0.000
426	A	998	LYS	1	0.817	0.896	59.507	-5.356	-5.356	0.000	0.000	0.000	0.000
427	A	999	VAL	0	-0.024	-0.017	57.988	0.059	0.059	0.000	0.000	0.000	0.000
428	A	1000	SER	0	0.067	0.027	59.782	0.074	0.074	0.000	0.000	0.000	0.000
429	A	1001	ALA	0	-0.015	-0.004	61.480	0.034	0.034	0.000	0.000	0.000	0.000
430	A	1002	ILE	0	-0.048	0.004	55.848	0.030	0.030	0.000	0.000	0.000	0.000
431	A	1003	PHE	0	0.004	-0.006	53.391	0.080	0.080	0.000	0.000	0.000	0.000
432	A	1004	SER	0	-0.008	-0.016	58.245	0.002	0.002	0.000	0.000	0.000	0.000
433	A	1005	THR	0	0.010	0.010	57.382	-0.037	-0.037	0.000	0.000	0.000	0.000
434	A	1006	PRO	0	0.030	0.012	54.486	-0.004	-0.004	0.000	0.000	0.000	0.000
435	A	1007	LEU	0	0.000	0.008	56.465	0.023	0.023	0.000	0.000	0.000	0.000
436	A	1008	GLN	0	-0.048	-0.037	58.903	-0.063	-0.063	0.000	0.000	0.000	0.000
437	A	1009	HIS	1	0.848	0.921	55.699	-5.631	-5.631	0.000	0.000	0.000	0.000
438	A	1010	ILE	0	-0.017	-0.015	53.501	-0.007	-0.007	0.000	0.000	0.000	0.000
439	A	1011	VAL	0	-0.037	-0.017	57.481	-0.015	-0.015	0.000	0.000	0.000	0.000
440	A	1012	GLU	-1	-0.846	-0.894	59.496	5.294	5.294	0.000	0.000	0.000	0.000
441	A	1013	LEU	0	-0.100	-0.029	54.706	0.008	0.008	0.000	0.000	0.000	0.000
442	A	1014	GLU	-1	-0.809	-0.870	58.811	5.000	5.000	0.000	0.000	0.000	0.000
443	A	1015	SER	0	0.071	0.014	57.123	0.075	0.075	0.000	0.000	0.000	0.000
444	A	1016	LYS	1	0.918	0.962	57.390	-5.446	-5.446	0.000	0.000	0.000	0.000
445	A	1017	ALA	0	-0.022	-0.014	53.021	0.006	0.006	0.000	0.000	0.000	0.000
446	A	1018	THR	0	0.092	0.049	54.079	0.051	0.051	0.000	0.000	0.000	0.000
447	A	1019	ALA	0	0.008	0.028	56.029	-0.045	-0.045	0.000	0.000	0.000	0.000
448	A	1020	LYS	1	0.948	0.951	56.698	-5.508	-5.508	0.000	0.000	0.000	0.000
449	A	1021	VAL	0	0.034	0.017	53.272	-0.037	-0.037	0.000	0.000	0.000	0.000
450	A	1022	ALA	0	0.093	0.047	56.659	-0.028	-0.028	0.000	0.000	0.000	0.000
451	A	1023	LEU	0	-0.078	-0.034	59.498	-0.080	-0.080	0.000	0.000	0.000	0.000
452	A	1024	GLN	0	-0.042	-0.029	58.031	-0.012	-0.012	0.000	0.000	0.000	0.000
453	A	1025	ALA	0	-0.001	0.007	58.518	-0.027	-0.027	0.000	0.000	0.000	0.000
454	A	1026	ARG	1	0.884	0.914	60.253	-5.049	-5.049	0.000	0.000	0.000	0.000
455	A	1027	GLU	-1	-0.875	-0.933	63.224	4.968	4.968	0.000	0.000	0.000	0.000
456	A	1028	ILE	0	-0.010	-0.004	59.339	-0.058	-0.058	0.000	0.000	0.000	0.000
457	A	1029	LEU	0	-0.001	-0.006	62.413	-0.042	-0.042	0.000	0.000	0.000	0.000
458	A	1030	ILE	0	-0.048	-0.019	65.259	-0.069	-0.069	0.000	0.000	0.000	0.000
459	A	1031	GLN	0	-0.007	-0.010	66.072	-0.068	-0.068	0.000	0.000	0.000	0.000
460	A	1032	GLY	0	-0.025	0.001	66.844	-0.028	-0.028	0.000	0.000	0.000	0.000
461	A	1033	ALA	0	-0.027	-0.013	67.574	-0.041	-0.041	0.000	0.000	0.000	0.000
462	A	1034	LEU	0	-0.050	-0.013	70.789	-0.080	-0.080	0.000	0.000	0.000	0.000
463	A	1035	PRO	0	0.041	0.037	71.930	0.039	0.039	0.000	0.000	0.000	0.000
464	A	1036	SER	0	0.015	-0.007	71.772	-0.046	-0.046	0.000	0.000	0.000	0.000
465	A	1037	VAL	0	0.047	0.007	73.649	-0.049	-0.049	0.000	0.000	0.000	0.000
466	A	1038	LYS	1	0.812	0.894	73.575	-4.394	-4.394	0.000	0.000	0.000	0.000
467	A	1039	GLU	-1	-0.814	-0.911	72.524	4.406	4.406	0.000	0.000	0.000	0.000
468	A	1040	ARG	1	0.759	0.863	76.113	-4.063	-4.063	0.000	0.000	0.000	0.000
469	A	1041	THR	0	0.001	-0.008	79.235	-0.067	-0.067	0.000	0.000	0.000	0.000
470	A	1042	GLU	-1	-0.827	-0.899	76.061	4.228	4.228	0.000	0.000	0.000	0.000
471	A	1043	GLN	0	0.004	-0.004	76.484	-0.076	-0.076	0.000	0.000	0.000	0.000
472	A	1044	ILE	0	0.033	0.030	81.336	-0.046	-0.046	0.000	0.000	0.000	0.000
473	A	1045	GLU	-1	-0.778	-0.854	83.955	3.729	3.729	0.000	0.000	0.000	0.000
474	A	1046	HIS	0	-0.001	-0.003	82.685	-0.046	-0.046	0.000	0.000	0.000	0.000
475	A	1047	ILE	0	0.011	0.005	83.812	-0.042	-0.042	0.000	0.000	0.000	0.000
476	A	1048	LEU	0	-0.015	-0.008	86.880	-0.050	-0.050	0.000	0.000	0.000	0.000
477	A	1049	LYS	1	0.863	0.932	86.640	-3.773	-3.773	0.000	0.000	0.000	0.000
478	A	1050	SER	0	-0.054	-0.037	87.464	-0.042	-0.042	0.000	0.000	0.000	0.000
479	A	1051	SER	0	-0.079	-0.046	89.569	-0.045	-0.045	0.000	0.000	0.000	0.000
480	A	1052	VAL	0	-0.002	-0.003	92.505	-0.051	-0.051	0.000	0.000	0.000	0.000
481	A	1053	VAL	0	-0.011	0.008	90.276	0.001	0.001	0.000	0.000	0.000	0.000
482	A	1054	LYS	1	0.929	0.972	93.151	-3.400	-3.400	0.000	0.000	0.000	0.000
483	A	1055	VAL	0	-0.024	-0.019	94.414	0.033	0.033	0.000	0.000	0.000	0.000
484	A	1056	ALA	0	-0.003	-0.014	93.337	0.029	0.029	0.000	0.000	0.000	0.000
485	A	1057	TYR	0	0.001	-0.006	88.661	-0.021	-0.021	0.000	0.000	0.000	0.000
486	A	1058	GLY	0	0.035	0.021	92.290	-0.013	-0.013	0.000	0.000	0.000	0.000
487	A	1059	SER	0	-0.048	0.003	94.905	-0.035	-0.035	0.000	0.000	0.000	0.000
488	A	1060	SER	0	0.065	0.015	96.470	0.037	0.037	0.000	0.000	0.000	0.000
489	A	1061	ASN	0	-0.003	-0.011	98.643	0.004	0.004	0.000	0.000	0.000	0.000
490	A	1062	PRO	0	0.033	0.020	97.874	0.036	0.036	0.000	0.000	0.000	0.000
491	A	1063	LYS	1	0.919	0.968	92.129	-3.525	-3.525	0.000	0.000	0.000	0.000
492	A	1064	ARG	1	0.859	0.927	96.421	-3.354	-3.354	0.000	0.000	0.000	0.000
493	A	1065	SER	0	-0.008	-0.016	99.695	0.021	0.021	0.000	0.000	0.000	0.000
494	A	1066	GLU	-1	-0.855	-0.913	100.740	3.152	3.152	0.000	0.000	0.000	0.000
495	A	1067	PRO	0	-0.007	-0.010	95.812	0.016	0.016	0.000	0.000	0.000	0.000
496	A	1068	ASP	-1	-0.803	-0.902	94.102	3.388	3.388	0.000	0.000	0.000	0.000
497	A	1069	LEU	0	0.040	0.010	94.308	0.045	0.045	0.000	0.000	0.000	0.000
498	A	1070	ASN	0	-0.086	-0.029	92.626	0.056	0.056	0.000	0.000	0.000	0.000
499	A	1071	ILE	0	0.011	0.004	88.973	0.030	0.030	0.000	0.000	0.000	0.000
500	A	1072	LEU	0	0.007	0.005	89.754	0.038	0.038	0.000	0.000	0.000	0.000
501	A	1073	LYS	1	0.836	0.932	90.877	-3.466	-3.466	0.000	0.000	0.000	0.000
502	A	1074	ASP	-1	-0.929	-0.957	85.083	3.821	3.821	0.000	0.000	0.000	0.000
503	A	1075	LEU	0	0.044	0.003	85.383	0.023	0.023	0.000	0.000	0.000	0.000
504	A	1076	ILE	0	-0.073	-0.038	88.344	0.005	0.005	0.000	0.000	0.000	0.000
505	A	1077	ASP	-1	-0.798	-0.890	90.185	3.464	3.464	0.000	0.000	0.000	0.000
506	A	1078	SER	0	0.031	0.034	84.085	0.040	0.040	0.000	0.000	0.000	0.000
507	A	1079	ASN	0	0.005	-0.012	83.947	-0.062	-0.062	0.000	0.000	0.000	0.000
508	A	1080	TYR	0	0.014	0.023	77.104	0.022	0.022	0.000	0.000	0.000	0.000
509	A	1081	VAL	0	-0.010	-0.008	81.469	-0.061	-0.061	0.000	0.000	0.000	0.000
510	A	1082	VAL	0	0.011	0.017	83.614	0.026	0.026	0.000	0.000	0.000	0.000
511	A	1083	PHE	0	0.024	-0.013	86.278	0.007	0.007	0.000	0.000	0.000	0.000
512	A	1084	ASP	-1	-0.746	-0.840	82.562	3.891	3.891	0.000	0.000	0.000	0.000
513	A	1085	VAL	0	0.022	0.016	81.560	0.007	0.007	0.000	0.000	0.000	0.000
514	A	1086	LEU	0	-0.060	-0.031	84.915	-0.013	-0.013	0.000	0.000	0.000	0.000
515	A	1087	LEU	0	0.021	0.004	88.234	-0.023	-0.023	0.000	0.000	0.000	0.000
516	A	1088	GLN	0	0.091	0.055	83.565	-0.026	-0.026	0.000	0.000	0.000	0.000
517	A	1089	PHE	0	-0.062	-0.038	84.524	-0.013	-0.013	0.000	0.000	0.000	0.000
518	A	1090	LEU	0	-0.039	-0.019	90.468	-0.026	-0.026	0.000	0.000	0.000	0.000
519	A	1091	THR	0	0.043	0.030	91.829	-0.037	-0.037	0.000	0.000	0.000	0.000
520	A	1092	HIS	0	-0.086	-0.042	87.866	0.001	0.001	0.000	0.000	0.000	0.000
521	A	1093	GLN	0	0.013	0.002	90.986	-0.040	-0.040	0.000	0.000	0.000	0.000
522	A	1094	ASP	-1	-0.872	-0.934	92.571	3.411	3.411	0.000	0.000	0.000	0.000
523	A	1095	PRO	0	0.107	0.034	94.371	0.014	0.014	0.000	0.000	0.000	0.000
524	A	1096	VAL	0	-0.046	-0.030	95.771	-0.016	-0.016	0.000	0.000	0.000	0.000
525	A	1097	VAL	0	-0.031	-0.012	90.454	0.012	0.012	0.000	0.000	0.000	0.000
526	A	1098	THR	0	0.011	0.013	93.678	0.014	0.014	0.000	0.000	0.000	0.000
527	A	1099	ALA	0	0.021	0.015	95.489	-0.008	-0.008	0.000	0.000	0.000	0.000
528	A	1100	ALA	0	0.003	0.000	93.405	-0.009	-0.009	0.000	0.000	0.000	0.000
529	A	1101	ALA	0	0.022	0.014	92.189	0.004	0.004	0.000	0.000	0.000	0.000
530	A	1102	ALA	0	0.076	0.040	93.487	0.004	0.004	0.000	0.000	0.000	0.000
531	A	1103	GLN	0	0.008	0.001	96.506	-0.007	-0.007	0.000	0.000	0.000	0.000
532	A	1104	VAL	0	-0.013	-0.012	90.544	-0.004	-0.004	0.000	0.000	0.000	0.000
533	A	1105	TYR	0	-0.037	-0.041	92.768	0.017	0.017	0.000	0.000	0.000	0.000
534	A	1106	ILE	0	0.045	0.018	94.693	0.000	0.000	0.000	0.000	0.000	0.000
535	A	1107	ARG	1	0.893	0.931	96.274	-3.239	-3.239	0.000	0.000	0.000	0.000
536	A	1108	ARG	1	0.809	0.917	86.800	-3.659	-3.659	0.000	0.000	0.000	0.000
537	A	1109	ALA	0	-0.020	-0.003	94.562	0.012	0.012	0.000	0.000	0.000	0.000
538	A	1110	TYR	0	0.011	-0.019	96.171	-0.019	-0.019	0.000	0.000	0.000	0.000
539	A	1111	ARG	1	0.787	0.871	94.641	-3.404	-3.404	0.000	0.000	0.000	0.000
540	A	1112	ALA	0	-0.015	-0.013	97.709	-0.007	-0.007	0.000	0.000	0.000	0.000
541	A	1113	TYR	0	-0.071	-0.022	99.281	-0.040	-0.040	0.000	0.000	0.000	0.000
542	A	1114	THR	0	0.031	0.020	102.393	0.008	0.008	0.000	0.000	0.000	0.000
543	A	1115	ILE	0	-0.007	-0.012	100.154	-0.011	-0.011	0.000	0.000	0.000	0.000
544	A	1116	GLY	0	-0.004	0.001	104.745	-0.014	-0.014	0.000	0.000	0.000	0.000
545	A	1117	ASP	-1	-0.868	-0.919	106.229	2.991	2.991	0.000	0.000	0.000	0.000
546	A	1118	ILE	0	-0.031	-0.032	100.979	-0.002	-0.002	0.000	0.000	0.000	0.000
547	A	1119	ARG	1	0.746	0.853	105.030	-2.959	-2.959	0.000	0.000	0.000	0.000
548	A	1120	VAL	0	0.022	-0.003	102.460	0.020	0.020	0.000	0.000	0.000	0.000
549	A	1121	HIS	0	-0.007	0.005	105.595	-0.026	-0.026	0.000	0.000	0.000	0.000
550	A	1122	GLU	-1	-0.910	-0.958	103.715	3.165	3.165	0.000	0.000	0.000	0.000
551	A	1123	GLY	0	0.009	0.009	106.940	-0.018	-0.018	0.000	0.000	0.000	0.000
552	A	1124	VAL	0	-0.059	-0.053	102.988	0.023	0.023	0.000	0.000	0.000	0.000
553	A	1125	THR	0	-0.047	-0.018	101.891	0.029	0.029	0.000	0.000	0.000	0.000
554	A	1126	VAL	0	0.017	0.015	101.365	0.029	0.029	0.000	0.000	0.000	0.000
555	A	1127	PRO	0	-0.008	0.008	99.780	-0.028	-0.028	0.000	0.000	0.000	0.000
556	A	1128	ILE	0	0.025	0.017	102.553	0.009	0.009	0.000	0.000	0.000	0.000
557	A	1129	VAL	0	-0.040	-0.015	100.697	-0.019	-0.019	0.000	0.000	0.000	0.000
558	A	1130	GLU	-1	-0.735	-0.838	103.892	2.945	2.945	0.000	0.000	0.000	0.000
559	A	1131	TRP	0	-0.021	-0.011	102.526	0.012	0.012	0.000	0.000	0.000	0.000
560	A	1132	LYS	1	0.887	0.923	106.076	-2.924	-2.924	0.000	0.000	0.000	0.000
561	A	1133	PHE	0	-0.017	-0.016	104.891	0.035	0.035	0.000	0.000	0.000	0.000
562	A	1134	GLN	0	-0.003	0.001	106.980	-0.046	-0.046	0.000	0.000	0.000	0.000
563	A	1135	LEU	0	-0.006	-0.007	104.909	0.027	0.027	0.000	0.000	0.000	0.000
564	A	1136	PRO	0	0.047	0.021	103.029	-0.026	-0.026	0.000	0.000	0.000	0.000
565	A	1137	SER	0	-0.042	-0.016	105.753	-0.003	-0.003	0.000	0.000	0.000	0.000
566	A	1138	ALA	0	-0.019	0.003	108.673	-0.031	-0.031	0.000	0.000	0.000	0.000
567	A	1154	ARG	1	0.867	0.920	90.035	-3.550	-3.550	0.000	0.000	0.000	0.000
568	A	1155	ALA	0	0.035	0.002	93.725	-0.001	-0.001	0.000	0.000	0.000	0.000
569	A	1156	VAL	0	-0.023	0.012	95.609	0.020	0.020	0.000	0.000	0.000	0.000
570	A	1157	SER	0	-0.004	-0.020	96.519	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	1158	VAL	0	0.035	0.014	97.873	-0.027	-0.027	0.000	0.000	0.000	0.000
572	A	1159	SER	0	-0.025	-0.030	100.409	-0.023	-0.023	0.000	0.000	0.000	0.000
573	A	1160	ASP	-1	-0.850	-0.874	98.240	3.280	3.280	0.000	0.000	0.000	0.000
574	A	1161	LEU	0	-0.048	-0.009	101.908	-0.023	-0.023	0.000	0.000	0.000	0.000
575	A	1171	PRO	0	-0.007	-0.029	116.988	-0.007	-0.007	0.000	0.000	0.000	0.000
576	A	1172	LEU	0	-0.060	-0.005	110.145	0.015	0.015	0.000	0.000	0.000	0.000
577	A	1173	ARG	1	0.894	0.966	107.950	-2.997	-2.997	0.000	0.000	0.000	0.000
578	A	1174	GLU	-1	-0.824	-0.910	108.742	2.911	2.911	0.000	0.000	0.000	0.000
579	A	1175	GLY	0	0.002	-0.015	105.841	0.000	0.000	0.000	0.000	0.000	0.000
580	A	1176	ILE	0	0.054	0.034	105.416	-0.006	-0.006	0.000	0.000	0.000	0.000
581	A	1177	LEU	0	-0.057	-0.024	97.867	0.025	0.025	0.000	0.000	0.000	0.000
582	A	1178	MET	0	0.006	0.016	101.333	-0.020	-0.020	0.000	0.000	0.000	0.000
583	A	1179	ALA	0	-0.028	-0.019	96.881	0.031	0.031	0.000	0.000	0.000	0.000
584	A	1180	VAL	0	-0.008	0.005	97.278	-0.024	-0.024	0.000	0.000	0.000	0.000
585	A	1181	ASP	-1	-0.866	-0.939	94.392	3.468	3.468	0.000	0.000	0.000	0.000
586	A	1182	HIS	0	-0.072	-0.048	94.120	0.027	0.027	0.000	0.000	0.000	0.000
587	A	1183	LEU	0	-0.012	-0.011	96.372	-0.034	-0.034	0.000	0.000	0.000	0.000
588	A	1184	ASP	-1	-0.865	-0.926	98.318	3.227	3.227	0.000	0.000	0.000	0.000
589	A	1185	ASP	-1	-0.832	-0.916	99.084	3.251	3.251	0.000	0.000	0.000	0.000
590	A	1186	VAL	0	-0.066	-0.042	100.609	-0.029	-0.029	0.000	0.000	0.000	0.000
591	A	1187	ASP	-1	-0.869	-0.936	103.282	3.068	3.068	0.000	0.000	0.000	0.000
592	A	1188	GLU	-1	-0.930	-0.960	106.322	2.952	2.952	0.000	0.000	0.000	0.000
593	A	1189	ILE	0	-0.028	-0.010	102.923	-0.025	-0.025	0.000	0.000	0.000	0.000
594	A	1190	LEU	0	-0.031	-0.001	105.774	-0.022	-0.022	0.000	0.000	0.000	0.000
595	A	1191	SER	0	0.019	0.009	107.870	-0.021	-0.021	0.000	0.000	0.000	0.000
596	A	1192	GLN	0	-0.009	0.011	110.269	-0.025	-0.025	0.000	0.000	0.000	0.000
597	A	1193	SER	0	-0.033	-0.052	107.834	-0.008	-0.008	0.000	0.000	0.000	0.000
598	A	1194	LEU	0	-0.045	-0.035	109.450	0.001	0.001	0.000	0.000	0.000	0.000
599	A	1195	GLU	-1	-0.905	-0.949	111.547	2.791	2.791	0.000	0.000	0.000	0.000
600	A	1196	VAL	0	-0.053	-0.008	110.090	-0.017	-0.017	0.000	0.000	0.000	0.000
601	A	1197	ILE	0	-0.130	-0.050	111.304	-0.040	-0.040	0.000	0.000	0.000	0.000
602	A	1218	LEU	0	0.000	-0.003	112.368	-0.002	-0.002	0.000	0.000	0.000	0.000
603	A	1219	SER	0	-0.076	-0.040	111.559	0.020	0.020	0.000	0.000	0.000	0.000
604	A	1220	ASN	0	0.105	0.063	109.922	0.033	0.033	0.000	0.000	0.000	0.000
605	A	1221	VAL	0	-0.084	-0.041	103.847	0.006	0.006	0.000	0.000	0.000	0.000
606	A	1222	ALA	0	0.046	0.030	104.781	-0.012	-0.012	0.000	0.000	0.000	0.000
607	A	1223	ASN	0	-0.061	-0.058	98.890	0.003	0.003	0.000	0.000	0.000	0.000
608	A	1224	VAL	0	0.086	0.056	99.662	-0.007	-0.007	0.000	0.000	0.000	0.000
609	A	1225	CYS	0	-0.039	-0.013	94.173	0.039	0.039	0.000	0.000	0.000	0.000
610	A	1226	VAL	0	0.005	0.006	94.749	-0.018	-0.018	0.000	0.000	0.000	0.000
611	A	1227	ALA	0	-0.020	-0.005	91.582	0.039	0.039	0.000	0.000	0.000	0.000
612	A	1228	SER	0	-0.013	-0.008	90.642	0.053	0.053	0.000	0.000	0.000	0.000
613	A	1229	THR	0	0.025	-0.003	91.430	-0.038	-0.038	0.000	0.000	0.000	0.000
614	A	1230	GLU	-1	-0.961	-0.972	89.147	3.641	3.641	0.000	0.000	0.000	0.000
615	A	1231	GLY	0	0.012	0.005	91.453	-0.042	-0.042	0.000	0.000	0.000	0.000
616	A	1232	PHE	0	-0.018	-0.003	93.076	-0.023	-0.023	0.000	0.000	0.000	0.000
617	A	1233	GLU	-1	-0.958	-0.965	90.979	3.632	3.632	0.000	0.000	0.000	0.000
618	A	1234	SER	0	-0.068	-0.046	89.982	0.039	0.039	0.000	0.000	0.000	0.000
619	A	1235	GLU	-1	-0.804	-0.896	90.450	3.565	3.565	0.000	0.000	0.000	0.000
620	A	1236	GLU	-1	-0.920	-0.972	92.741	3.299	3.299	0.000	0.000	0.000	0.000
621	A	1237	GLU	-1	-0.866	-0.935	95.113	3.372	3.372	0.000	0.000	0.000	0.000
622	A	1238	ILE	0	0.020	0.012	92.825	-0.039	-0.039	0.000	0.000	0.000	0.000
623	A	1239	LEU	0	-0.026	-0.016	96.641	-0.034	-0.034	0.000	0.000	0.000	0.000
624	A	1240	VAL	0	-0.015	0.003	99.151	-0.045	-0.045	0.000	0.000	0.000	0.000
625	A	1241	ARG	1	0.903	0.929	100.107	-3.217	-3.217	0.000	0.000	0.000	0.000
626	A	1242	LEU	0	-0.045	-0.016	98.248	-0.030	-0.030	0.000	0.000	0.000	0.000
627	A	1243	ARG	1	0.799	0.867	102.406	-3.090	-3.090	0.000	0.000	0.000	0.000
628	A	1244	GLU	-1	-0.915	-0.945	104.663	3.062	3.062	0.000	0.000	0.000	0.000
629	A	1245	ILE	0	0.034	0.025	102.786	-0.036	-0.036	0.000	0.000	0.000	0.000
630	A	1246	LEU	0	-0.057	-0.018	104.258	-0.033	-0.033	0.000	0.000	0.000	0.000
631	A	1247	ASP	-1	-0.830	-0.921	108.082	2.931	2.931	0.000	0.000	0.000	0.000
632	A	1248	LEU	0	-0.014	0.001	109.038	-0.038	-0.038	0.000	0.000	0.000	0.000
633	A	1249	ASN	0	-0.012	-0.016	109.219	-0.044	-0.044	0.000	0.000	0.000	0.000
634	A	1250	LYS	1	0.843	0.936	111.969	-2.916	-2.916	0.000	0.000	0.000	0.000
635	A	1251	GLN	0	-0.020	-0.026	113.154	-0.016	-0.016	0.000	0.000	0.000	0.000
636	A	1252	GLU	-1	-0.785	-0.882	113.500	2.776	2.776	0.000	0.000	0.000	0.000
637	A	1253	LEU	0	-0.030	-0.014	108.662	0.005	0.005	0.000	0.000	0.000	0.000
638	A	1254	ILE	0	-0.034	-0.022	112.471	0.004	0.004	0.000	0.000	0.000	0.000
639	A	1255	ASN	0	-0.048	-0.018	115.304	-0.022	-0.022	0.000	0.000	0.000	0.000
640	A	1256	ALA	0	0.057	0.050	112.473	-0.009	-0.009	0.000	0.000	0.000	0.000
641	A	1257	SER	0	-0.113	-0.083	113.665	0.011	0.011	0.000	0.000	0.000	0.000
642	A	1258	ILE	0	0.041	0.015	108.063	0.018	0.018	0.000	0.000	0.000	0.000
643	A	1259	ARG	1	0.818	0.916	107.768	-2.936	-2.936	0.000	0.000	0.000	0.000
644	A	1260	ARG	1	0.841	0.904	100.483	-3.183	-3.183	0.000	0.000	0.000	0.000
645	A	1261	ILE	0	0.070	0.054	103.517	-0.004	-0.004	0.000	0.000	0.000	0.000
646	A	1262	THR	0	-0.036	-0.012	97.656	0.004	0.004	0.000	0.000	0.000	0.000
647	A	1263	PHE	0	0.075	0.057	97.952	-0.008	-0.008	0.000	0.000	0.000	0.000
648	A	1264	MET	0	-0.066	-0.035	93.939	0.030	0.030	0.000	0.000	0.000	0.000
649	A	1265	PHE	0	0.060	0.044	91.177	-0.010	-0.010	0.000	0.000	0.000	0.000
650	A	1266	GLY	0	0.021	0.003	88.542	0.031	0.031	0.000	0.000	0.000	0.000
651	A	1267	PHE	0	0.005	0.009	84.447	-0.017	-0.017	0.000	0.000	0.000	0.000
652	A	1268	LYS	1	0.912	0.947	82.985	-3.752	-3.752	0.000	0.000	0.000	0.000
653	A	1269	ASP	-1	-0.845	-0.896	78.836	4.044	4.044	0.000	0.000	0.000	0.000
654	A	1270	GLY	0	-0.010	-0.022	78.344	-0.026	-0.026	0.000	0.000	0.000	0.000
655	A	1271	SER	0	-0.037	-0.024	79.274	-0.036	-0.036	0.000	0.000	0.000	0.000
656	A	1272	TYR	0	-0.047	-0.018	81.843	-0.001	-0.001	0.000	0.000	0.000	0.000
657	A	1273	PRO	0	0.022	0.010	84.413	-0.004	-0.004	0.000	0.000	0.000	0.000
658	A	1274	LYS	1	0.842	0.925	87.429	-3.665	-3.665	0.000	0.000	0.000	0.000
659	A	1275	TYR	0	0.004	-0.011	90.710	-0.007	-0.007	0.000	0.000	0.000	0.000
660	A	1276	TYR	0	0.028	-0.005	92.487	0.019	0.019	0.000	0.000	0.000	0.000
661	A	1277	THR	0	-0.003	-0.022	97.266	-0.014	-0.014	0.000	0.000	0.000	0.000
662	A	1278	PHE	0	-0.015	-0.017	100.176	-0.004	-0.004	0.000	0.000	0.000	0.000
663	A	1279	ASN	0	-0.034	-0.033	103.738	-0.004	-0.004	0.000	0.000	0.000	0.000
664	A	1280	GLY	0	-0.011	0.007	106.310	-0.010	-0.010	0.000	0.000	0.000	0.000
665	A	1281	PRO	0	0.050	0.024	110.028	0.003	0.003	0.000	0.000	0.000	0.000
666	A	1282	ASN	0	0.007	-0.004	111.494	-0.007	-0.007	0.000	0.000	0.000	0.000
667	A	1283	TYR	0	0.019	0.014	107.500	0.011	0.011	0.000	0.000	0.000	0.000
668	A	1284	ASN	0	0.015	0.013	105.669	0.024	0.024	0.000	0.000	0.000	0.000
669	A	1285	GLU	-1	-0.749	-0.853	97.556	3.332	3.332	0.000	0.000	0.000	0.000
670	A	1286	ASN	0	-0.037	-0.007	100.861	0.002	0.002	0.000	0.000	0.000	0.000
671	A	1287	GLU	-1	-0.807	-0.912	97.010	3.352	3.352	0.000	0.000	0.000	0.000
672	A	1288	THR	0	-0.103	-0.057	96.053	0.038	0.038	0.000	0.000	0.000	0.000
673	A	1289	ILE	0	-0.084	-0.048	95.314	0.034	0.034	0.000	0.000	0.000	0.000
674	A	1290	ARG	1	0.835	0.895	93.349	-3.402	-3.402	0.000	0.000	0.000	0.000
675	A	1291	HIS	0	-0.053	-0.032	89.736	0.034	0.034	0.000	0.000	0.000	0.000
676	A	1292	ILE	0	-0.042	-0.023	90.727	0.040	0.040	0.000	0.000	0.000	0.000
677	A	1293	GLU	-1	-0.705	-0.825	93.029	3.272	3.272	0.000	0.000	0.000	0.000
678	A	1294	PRO	0	0.034	0.011	95.514	0.002	0.002	0.000	0.000	0.000	0.000
679	A	1295	ALA	0	-0.029	-0.014	98.045	-0.008	-0.008	0.000	0.000	0.000	0.000
680	A	1296	LEU	0	0.000	-0.004	91.679	0.001	0.001	0.000	0.000	0.000	0.000
681	A	1297	ALA	0	0.022	0.013	95.126	0.015	0.015	0.000	0.000	0.000	0.000
682	A	1298	PHE	0	-0.032	-0.022	96.138	-0.006	-0.006	0.000	0.000	0.000	0.000
683	A	1299	GLN	0	-0.042	-0.027	95.230	0.017	0.017	0.000	0.000	0.000	0.000
684	A	1300	LEU	0	0.007	0.017	90.799	0.024	0.024	0.000	0.000	0.000	0.000
685	A	1301	GLU	-1	-0.790	-0.850	94.647	3.292	3.292	0.000	0.000	0.000	0.000
686	A	1302	LEU	0	0.039	0.020	93.037	-0.008	-0.008	0.000	0.000	0.000	0.000
687	A	1303	GLY	0	-0.006	0.003	96.837	-0.007	-0.007	0.000	0.000	0.000	0.000
688	A	1304	ARG	1	0.825	0.895	97.731	-3.303	-3.303	0.000	0.000	0.000	0.000
689	A	1305	LEU	0	0.008	0.002	93.639	0.003	0.003	0.000	0.000	0.000	0.000
690	A	1306	SER	0	0.026	0.021	97.511	0.009	0.009	0.000	0.000	0.000	0.000
691	A	1307	ASN	0	-0.038	-0.022	99.764	-0.036	-0.036	0.000	0.000	0.000	0.000
692	A	1308	PHE	0	-0.036	-0.027	94.626	0.005	0.005	0.000	0.000	0.000	0.000
693	A	1309	ASN	0	-0.045	-0.019	95.207	-0.052	-0.052	0.000	0.000	0.000	0.000
694	A	1310	ILE	0	0.000	-0.002	92.466	0.040	0.040	0.000	0.000	0.000	0.000
695	A	1311	LYS	1	0.921	0.951	86.754	-3.714	-3.714	0.000	0.000	0.000	0.000
696	A	1312	PRO	0	0.004	-0.001	88.229	0.026	0.026	0.000	0.000	0.000	0.000
697	A	1313	ILE	0	-0.029	-0.010	82.177	0.015	0.015	0.000	0.000	0.000	0.000
698	A	1314	PHE	0	-0.019	-0.005	82.503	0.007	0.007	0.000	0.000	0.000	0.000
699	A	1315	THR	0	0.008	-0.005	78.825	0.019	0.019	0.000	0.000	0.000	0.000
700	A	1316	ASP	-1	-0.925	-0.950	73.657	4.315	4.315	0.000	0.000	0.000	0.000
701	A	1317	ASN	0	-0.042	-0.026	77.114	-0.064	-0.064	0.000	0.000	0.000	0.000
702	A	1318	ARG	1	0.855	0.902	79.218	-4.030	-4.030	0.000	0.000	0.000	0.000
703	A	1319	ASN	0	-0.021	-0.018	80.880	-0.084	-0.084	0.000	0.000	0.000	0.000
704	A	1320	ILE	0	-0.041	-0.001	80.136	-0.051	-0.051	0.000	0.000	0.000	0.000
705	A	1321	HIS	1	0.914	0.950	84.519	-3.691	-3.691	0.000	0.000	0.000	0.000
706	A	1322	VAL	0	0.060	0.034	82.599	-0.038	-0.038	0.000	0.000	0.000	0.000
707	A	1323	TYR	0	0.007	-0.005	86.019	-0.006	-0.006	0.000	0.000	0.000	0.000
708	A	1324	GLU	-1	-0.810	-0.870	85.771	3.744	3.744	0.000	0.000	0.000	0.000
709	A	1325	ALA	0	-0.006	-0.018	88.305	-0.041	-0.041	0.000	0.000	0.000	0.000
710	A	1326	VAL	0	0.005	0.003	90.692	0.021	0.021	0.000	0.000	0.000	0.000
711	A	1327	SER	0	0.040	0.034	93.123	-0.048	-0.048	0.000	0.000	0.000	0.000
712	A	1328	LYS	1	0.869	0.923	96.402	-3.217	-3.217	0.000	0.000	0.000	0.000
713	A	1329	THR	0	-0.010	0.004	99.234	-0.015	-0.015	0.000	0.000	0.000	0.000
714	A	1330	SER	0	0.019	0.003	96.341	0.006	0.006	0.000	0.000	0.000	0.000
715	A	1331	PRO	0	0.035	0.008	92.814	0.018	0.018	0.000	0.000	0.000	0.000
716	A	1332	LEU	0	0.011	0.002	90.579	0.046	0.046	0.000	0.000	0.000	0.000
717	A	1333	ASP	-1	-0.800	-0.870	90.695	3.487	3.487	0.000	0.000	0.000	0.000
718	A	1334	LYS	1	0.903	0.963	84.143	-3.827	-3.827	0.000	0.000	0.000	0.000
719	A	1335	ARG	1	0.768	0.858	88.171	-3.430	-3.430	0.000	0.000	0.000	0.000
720	A	1336	PHE	0	0.055	0.013	83.551	-0.003	-0.003	0.000	0.000	0.000	0.000
721	A	1337	PHE	0	-0.006	0.003	87.106	0.008	0.008	0.000	0.000	0.000	0.000
722	A	1338	THR	0	0.040	0.021	83.721	0.025	0.025	0.000	0.000	0.000	0.000
723	A	1339	ARG	1	0.798	0.888	86.888	-3.497	-3.497	0.000	0.000	0.000	0.000
724	A	1340	GLY	0	0.031	0.003	87.352	0.025	0.025	0.000	0.000	0.000	0.000
725	A	1341	ILE	0	-0.038	-0.013	88.283	-0.029	-0.029	0.000	0.000	0.000	0.000
726	A	1342	ILE	0	-0.019	0.000	86.539	0.047	0.047	0.000	0.000	0.000	0.000
727	A	1343	ARG	1	0.906	0.971	88.749	-3.620	-3.620	0.000	0.000	0.000	0.000
728	A	1344	THR	0	0.048	0.007	88.751	0.033	0.033	0.000	0.000	0.000	0.000
729	A	1345	GLY	0	0.042	0.033	88.916	-0.038	-0.038	0.000	0.000	0.000	0.000
730	A	1346	HIS	0	0.004	-0.005	87.737	-0.082	-0.082	0.000	0.000	0.000	0.000
731	A	1347	ILE	0	0.011	0.015	87.606	0.043	0.043	0.000	0.000	0.000	0.000
732	A	1348	ARG	1	0.860	0.906	81.955	-3.907	-3.907	0.000	0.000	0.000	0.000
733	A	1349	ASP	-1	-0.864	-0.943	87.577	3.527	3.527	0.000	0.000	0.000	0.000
734	A	1350	ASP	-1	-0.849	-0.901	83.607	3.808	3.808	0.000	0.000	0.000	0.000
735	A	1351	ILE	0	-0.052	-0.007	83.518	0.030	0.030	0.000	0.000	0.000	0.000
736	A	1352	SER	0	0.005	-0.026	86.518	-0.058	-0.058	0.000	0.000	0.000	0.000
737	A	1353	ILE	0	0.037	-0.002	88.641	0.035	0.035	0.000	0.000	0.000	0.000
738	A	1354	GLN	0	0.035	0.026	89.058	0.045	0.045	0.000	0.000	0.000	0.000
739	A	1355	GLU	-1	-0.791	-0.846	84.431	3.801	3.801	0.000	0.000	0.000	0.000
740	A	1356	TYR	0	-0.069	-0.059	84.993	0.023	0.023	0.000	0.000	0.000	0.000
741	A	1357	LEU	0	0.026	0.009	85.865	0.033	0.033	0.000	0.000	0.000	0.000
742	A	1358	THR	0	0.008	0.004	83.076	0.026	0.026	0.000	0.000	0.000	0.000
743	A	1359	SER	0	-0.080	-0.050	80.974	0.043	0.043	0.000	0.000	0.000	0.000
744	A	1360	GLU	-1	-0.772	-0.848	81.565	3.900	3.900	0.000	0.000	0.000	0.000
745	A	1361	ALA	0	0.015	-0.001	83.609	0.016	0.016	0.000	0.000	0.000	0.000
746	A	1362	ASN	0	-0.034	-0.039	79.788	0.030	0.030	0.000	0.000	0.000	0.000
747	A	1363	ARG	1	0.848	0.922	78.433	-3.905	-3.905	0.000	0.000	0.000	0.000
748	A	1364	LEU	0	0.019	0.000	79.468	0.034	0.034	0.000	0.000	0.000	0.000
749	A	1365	MET	0	-0.008	0.012	81.089	-0.015	-0.015	0.000	0.000	0.000	0.000
750	A	1366	SER	0	-0.027	-0.001	75.691	0.010	0.010	0.000	0.000	0.000	0.000
751	A	1367	ASP	-1	-0.819	-0.885	77.312	4.130	4.130	0.000	0.000	0.000	0.000
752	A	1368	ILE	0	-0.009	-0.005	78.269	0.016	0.016	0.000	0.000	0.000	0.000
753	A	1369	LEU	0	-0.023	-0.019	77.527	0.008	0.008	0.000	0.000	0.000	0.000
754	A	1370	ASP	-1	-0.850	-0.919	74.084	4.382	4.382	0.000	0.000	0.000	0.000
755	A	1371	ASN	0	-0.049	-0.057	75.139	0.038	0.038	0.000	0.000	0.000	0.000
756	A	1372	LEU	0	-0.014	-0.001	77.499	-0.015	-0.015	0.000	0.000	0.000	0.000
757	A	1373	GLU	-1	-0.814	-0.890	72.739	4.330	4.330	0.000	0.000	0.000	0.000
758	A	1374	VAL	0	-0.029	-0.004	72.299	0.027	0.027	0.000	0.000	0.000	0.000
759	A	1375	THR	0	-0.050	-0.007	74.584	-0.009	-0.009	0.000	0.000	0.000	0.000
760	A	1376	ASP	-1	-0.822	-0.886	77.503	4.075	4.075	0.000	0.000	0.000	0.000
761	A	1377	THR	0	-0.059	-0.028	78.551	-0.053	-0.053	0.000	0.000	0.000	0.000
762	A	1378	SER	0	-0.021	-0.045	79.276	-0.008	-0.008	0.000	0.000	0.000	0.000
763	A	1379	ASN	0	-0.105	-0.053	80.994	0.006	0.006	0.000	0.000	0.000	0.000
764	A	1380	SER	0	-0.024	-0.006	83.204	-0.056	-0.056	0.000	0.000	0.000	0.000
765	A	1381	ASP	-1	-0.872	-0.920	85.561	3.646	3.646	0.000	0.000	0.000	0.000
766	A	1382	LEU	0	-0.002	-0.001	87.089	0.015	0.015	0.000	0.000	0.000	0.000
767	A	1383	ASN	0	0.028	0.011	83.767	-0.073	-0.073	0.000	0.000	0.000	0.000
768	A	1384	HIS	0	-0.002	-0.002	87.572	0.004	0.004	0.000	0.000	0.000	0.000
769	A	1385	ILE	0	0.022	0.011	83.596	0.033	0.033	0.000	0.000	0.000	0.000
770	A	1386	PHE	0	-0.037	-0.003	88.001	-0.029	-0.029	0.000	0.000	0.000	0.000
771	A	1387	ILE	0	0.024	0.013	85.611	0.030	0.030	0.000	0.000	0.000	0.000
772	A	1388	ASN	0	-0.012	-0.027	89.889	-0.049	-0.049	0.000	0.000	0.000	0.000
773	A	1389	PHE	0	0.002	-0.002	87.797	0.019	0.019	0.000	0.000	0.000	0.000
774	A	1390	ILE	0	-0.015	-0.009	92.816	-0.040	-0.040	0.000	0.000	0.000	0.000
775	A	1391	ALA	0	-0.028	0.000	94.205	-0.036	-0.036	0.000	0.000	0.000	0.000
776	A	1392	VAL	0	-0.031	-0.027	95.954	-0.008	-0.008	0.000	0.000	0.000	0.000
777	A	1393	PHE	0	-0.022	-0.031	91.763	0.017	0.017	0.000	0.000	0.000	0.000
778	A	1394	ASP	-1	-0.899	-0.940	97.112	3.187	3.187	0.000	0.000	0.000	0.000
779	A	1395	ILE	0	-0.005	-0.010	93.166	0.032	0.032	0.000	0.000	0.000	0.000
780	A	1396	SER	0	0.017	0.000	97.336	-0.013	-0.013	0.000	0.000	0.000	0.000
781	A	1397	PRO	0	0.038	-0.012	97.168	0.036	0.036	0.000	0.000	0.000	0.000
782	A	1398	GLU	-1	-0.874	-0.921	97.150	3.260	3.260	0.000	0.000	0.000	0.000
783	A	1399	ASP	-1	-0.865	-0.936	93.574	3.455	3.455	0.000	0.000	0.000	0.000
784	A	1400	VAL	0	-0.060	-0.032	92.364	0.051	0.051	0.000	0.000	0.000	0.000
785	A	1401	GLU	-1	-0.765	-0.848	92.102	3.419	3.419	0.000	0.000	0.000	0.000
786	A	1402	ALA	0	-0.034	-0.005	90.445	0.035	0.035	0.000	0.000	0.000	0.000
787	A	1403	ALA	0	0.004	0.010	88.154	0.049	0.049	0.000	0.000	0.000	0.000
788	A	1404	PHE	0	-0.039	-0.019	86.876	0.052	0.052	0.000	0.000	0.000	0.000
789	A	1405	GLY	0	0.036	0.013	87.604	-0.005	-0.005	0.000	0.000	0.000	0.000
790	A	1406	GLY	0	0.011	-0.014	83.607	0.031	0.031	0.000	0.000	0.000	0.000
791	A	1407	PHE	0	0.038	0.010	82.463	0.059	0.059	0.000	0.000	0.000	0.000
792	A	1408	LEU	0	-0.008	-0.020	82.602	0.044	0.044	0.000	0.000	0.000	0.000
793	A	1409	GLU	-1	-0.969	-0.962	79.403	4.020	4.020	0.000	0.000	0.000	0.000
794	A	1410	ARG	1	0.910	0.969	76.472	-4.088	-4.088	0.000	0.000	0.000	0.000
795	A	1411	PHE	0	0.018	0.000	77.555	0.067	0.067	0.000	0.000	0.000	0.000
796	A	1412	GLY	0	0.051	0.034	79.517	0.011	0.011	0.000	0.000	0.000	0.000
797	A	1413	LYS	1	0.932	0.954	72.958	-4.336	-4.336	0.000	0.000	0.000	0.000
798	A	1414	ARG	1	0.758	0.849	74.104	-4.302	-4.302	0.000	0.000	0.000	0.000
799	A	1415	LEU	0	0.062	0.033	77.361	-0.009	-0.009	0.000	0.000	0.000	0.000
800	A	1416	LEU	0	-0.023	-0.005	79.847	-0.023	-0.023	0.000	0.000	0.000	0.000
801	A	1417	ARG	1	0.795	0.877	72.337	-4.383	-4.383	0.000	0.000	0.000	0.000
802	A	1418	LEU	0	0.024	0.020	77.124	0.003	0.003	0.000	0.000	0.000	0.000
803	A	1419	ARG	1	0.918	0.973	80.127	-3.974	-3.974	0.000	0.000	0.000	0.000
804	A	1420	VAL	0	-0.002	0.005	82.879	-0.042	-0.042	0.000	0.000	0.000	0.000
805	A	1421	SER	0	-0.030	-0.002	85.197	-0.011	-0.011	0.000	0.000	0.000	0.000
806	A	1422	SER	0	-0.006	-0.018	88.327	-0.023	-0.023	0.000	0.000	0.000	0.000
807	A	1423	ALA	0	-0.014	0.001	87.600	0.022	0.022	0.000	0.000	0.000	0.000
808	A	1424	GLU	-1	-0.774	-0.854	89.671	3.322	3.322	0.000	0.000	0.000	0.000
809	A	1425	ILE	0	0.003	0.011	88.602	0.025	0.025	0.000	0.000	0.000	0.000
810	A	1426	ARG	1	0.825	0.892	92.469	-3.301	-3.301	0.000	0.000	0.000	0.000
811	A	1427	ILE	0	0.034	0.018	92.491	0.032	0.032	0.000	0.000	0.000	0.000
812	A	1428	ILE	0	0.009	0.019	96.126	-0.042	-0.042	0.000	0.000	0.000	0.000
813	A	1429	ILE	0	0.035	0.029	97.836	0.032	0.032	0.000	0.000	0.000	0.000
814	A	1430	LYS	1	0.865	0.916	99.625	-3.255	-3.255	0.000	0.000	0.000	0.000
815	A	1431	ASP	-1	-0.789	-0.850	102.757	2.997	2.997	0.000	0.000	0.000	0.000
816	A	1432	PRO	0	-0.017	0.022	104.084	-0.012	-0.012	0.000	0.000	0.000	0.000
817	A	1433	GLN	0	-0.116	-0.072	105.947	-0.033	-0.033	0.000	0.000	0.000	0.000
818	A	1434	THR	0	-0.058	-0.072	109.529	-0.014	-0.014	0.000	0.000	0.000	0.000
819	A	1435	GLY	0	0.025	0.000	106.202	-0.007	-0.007	0.000	0.000	0.000	0.000
820	A	1436	ALA	0	-0.031	-0.014	106.464	0.016	0.016	0.000	0.000	0.000	0.000
821	A	1437	PRO	0	0.016	0.015	103.550	0.022	0.022	0.000	0.000	0.000	0.000
822	A	1438	VAL	0	-0.006	-0.014	103.350	-0.031	-0.031	0.000	0.000	0.000	0.000
823	A	1439	PRO	0	-0.031	-0.014	101.176	0.036	0.036	0.000	0.000	0.000	0.000
824	A	1440	LEU	0	0.004	0.002	98.054	-0.026	-0.026	0.000	0.000	0.000	0.000
825	A	1441	ARG	1	0.695	0.794	97.109	-3.254	-3.254	0.000	0.000	0.000	0.000
826	A	1442	ALA	0	0.051	0.022	93.466	-0.021	-0.021	0.000	0.000	0.000	0.000
827	A	1443	LEU	0	-0.029	-0.008	93.877	0.030	0.030	0.000	0.000	0.000	0.000
828	A	1444	ILE	0	0.006	-0.003	88.321	-0.004	-0.004	0.000	0.000	0.000	0.000
829	A	1445	ASN	0	0.024	0.004	90.696	0.023	0.023	0.000	0.000	0.000	0.000
830	A	1446	ASN	0	-0.010	-0.006	83.342	0.009	0.009	0.000	0.000	0.000	0.000
831	A	1447	VAL	0	0.034	0.014	87.596	-0.001	-0.001	0.000	0.000	0.000	0.000
832	A	1448	SER	0	-0.006	-0.006	83.212	0.018	0.018	0.000	0.000	0.000	0.000
833	A	1449	GLY	0	-0.004	-0.009	84.201	-0.018	-0.018	0.000	0.000	0.000	0.000
834	A	1450	TYR	0	-0.033	-0.005	85.088	-0.037	-0.037	0.000	0.000	0.000	0.000
835	A	1451	VAL	0	0.004	-0.004	86.136	0.027	0.027	0.000	0.000	0.000	0.000
836	A	1452	ILE	0	-0.032	-0.010	88.792	-0.040	-0.040	0.000	0.000	0.000	0.000
837	A	1453	LYS	1	0.774	0.860	91.281	-3.342	-3.342	0.000	0.000	0.000	0.000
838	A	1454	THR	0	-0.014	-0.009	91.264	-0.013	-0.013	0.000	0.000	0.000	0.000
839	A	1455	GLU	-1	-0.788	-0.872	93.945	3.238	3.238	0.000	0.000	0.000	0.000
840	A	1456	MET	0	0.020	0.022	96.486	0.018	0.018	0.000	0.000	0.000	0.000
841	A	1457	TYR	0	-0.074	-0.075	98.894	-0.056	-0.056	0.000	0.000	0.000	0.000
842	A	1458	THR	0	0.027	0.018	101.351	0.023	0.023	0.000	0.000	0.000	0.000
843	A	1459	GLU	-1	-0.785	-0.857	101.294	3.173	3.173	0.000	0.000	0.000	0.000
844	A	1460	VAL	0	-0.031	-0.044	105.417	-0.016	-0.016	0.000	0.000	0.000	0.000
845	A	1461	LYS	1	0.965	1.003	109.158	-2.844	-2.844	0.000	0.000	0.000	0.000
846	A	1462	ASN	0	-0.015	-0.016	111.884	-0.037	-0.037	0.000	0.000	0.000	0.000
847	A	1463	ALA	0	0.049	0.000	114.823	-0.004	-0.004	0.000	0.000	0.000	0.000
848	A	1464	LYS	1	0.916	0.964	116.701	-2.722	-2.722	0.000	0.000	0.000	0.000
849	A	1465	GLY	0	-0.036	-0.005	115.249	-0.005	-0.005	0.000	0.000	0.000	0.000
850	A	1466	GLU	-1	-0.884	-0.951	111.190	2.890	2.890	0.000	0.000	0.000	0.000
851	A	1467	TRP	0	-0.016	0.009	107.243	-0.004	-0.004	0.000	0.000	0.000	0.000
852	A	1468	VAL	0	-0.007	-0.008	107.790	0.011	0.011	0.000	0.000	0.000	0.000
853	A	1469	PHE	0	0.009	0.023	101.162	0.003	0.003	0.000	0.000	0.000	0.000
854	A	1470	LYS	1	1.002	0.988	105.071	-2.968	-2.968	0.000	0.000	0.000	0.000
855	A	1471	SER	0	-0.008	0.002	103.137	0.007	0.007	0.000	0.000	0.000	0.000
856	A	1472	LEU	0	-0.003	0.014	101.048	-0.028	-0.028	0.000	0.000	0.000	0.000
857	A	1473	GLY	0	-0.017	-0.007	102.410	-0.022	-0.022	0.000	0.000	0.000	0.000
858	A	1474	LYS	1	0.932	0.963	100.251	-3.224	-3.224	0.000	0.000	0.000	0.000
859	A	1475	PRO	0	0.008	-0.007	103.330	0.013	0.013	0.000	0.000	0.000	0.000
860	A	1476	GLY	0	0.077	0.048	101.736	0.027	0.027	0.000	0.000	0.000	0.000
861	A	1477	SER	0	-0.067	-0.035	99.477	-0.033	-0.033	0.000	0.000	0.000	0.000
862	A	1478	MET	0	-0.077	-0.054	100.806	-0.017	-0.017	0.000	0.000	0.000	0.000
863	A	1479	HIS	0	0.039	0.026	103.491	0.011	0.011	0.000	0.000	0.000	0.000
864	A	1480	LEU	0	0.006	0.000	106.074	-0.005	-0.005	0.000	0.000	0.000	0.000
865	A	1481	ARG	1	0.945	0.985	104.651	-3.092	-3.092	0.000	0.000	0.000	0.000
866	A	1482	PRO	0	0.071	0.032	106.954	0.017	0.017	0.000	0.000	0.000	0.000
867	A	1483	ILE	0	0.021	0.020	103.278	0.021	0.021	0.000	0.000	0.000	0.000
868	A	1484	ALA	0	-0.011	0.000	102.682	0.031	0.031	0.000	0.000	0.000	0.000
869	A	1485	THR	0	-0.081	-0.065	103.326	-0.004	-0.004	0.000	0.000	0.000	0.000
870	A	1486	PRO	0	0.001	0.011	101.004	0.032	0.032	0.000	0.000	0.000	0.000
871	A	1487	TYR	0	-0.030	-0.032	95.428	-0.009	-0.009	0.000	0.000	0.000	0.000
872	A	1488	PRO	0	-0.001	0.010	98.500	-0.006	-0.006	0.000	0.000	0.000	0.000
873	A	1489	VAL	0	-0.018	-0.013	97.416	0.045	0.045	0.000	0.000	0.000	0.000
874	A	1490	LYS	1	0.811	0.886	90.992	-3.546	-3.546	0.000	0.000	0.000	0.000
875	A	1491	GLU	-1	-0.923	-0.958	97.409	3.138	3.138	0.000	0.000	0.000	0.000
876	A	1492	TRP	0	-0.061	-0.049	98.219	0.031	0.031	0.000	0.000	0.000	0.000
877	A	1493	LEU	0	-0.011	0.022	100.050	-0.009	-0.009	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:573:GLU)