FMO DATABASE

FMODB ID: YYV12

Calculation Name: 1UW9-ABCI-Xray434

Preferred Name:
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Target Type:
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Ligand Name: 2-carboxyarabinitol-1,5-diphosphate

ligand 3-letter code: CAP

PDB ID: 1UW9

Chain ID: ABCI

ChEMBL ID:
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UniProt ID: P00877

Base Structure: X-ray

Registration Date: 2023-09-26

Reference: M. Fujii, S. Tanaka, Interspecies Comparison of Interaction Energies between Photosynthetic Protein RuBisCO and 2CABP Ligand, Int. J. Mol. Sci. 2022, 23(19), 11347.

DOI: 10.3390/ijms231911347

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	1215
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-44120502.818309
FMO2-HF: Nuclear repulsion	43631181.576998
FMO2-HF: Total energy	-489321.241311
FMO2-MP2: Total energy	-490718.204649

3D Structure

Snapshot

Ligand structure

CAP

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.
-864.968	-883.902	202.001	-96.357	-86.705	-0.697

Interactive mode: IFIE and PIEDA for fragment #1214(A:1477:CAP)

Summations of interaction energy for fragment #1214(A:1477:CAP)

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.
-864.968	-883.902	202.001	-96.357	-86.705	0.697

Interaction energy analysis for fragmet #1214(A:1477:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.145 / q_NPA : -3.573

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].
162	A	172	CYS	0	-0.067	-0.034	5.157	3.237	3.384	-0.001	-0.003	-0.143	0.000
163	A	173	THR	0	0.098	0.053	1.824	-18.920	-19.576	12.454	-6.582	-5.216	-0.029
164	A	174	ILE	0	0.003	0.000	3.926	8.290	8.687	-0.001	-0.143	-0.254	0.000
165	A	175	LYS	1	0.838	0.917	2.084	-229.371	-226.336	7.633	-4.608	-6.060	0.066
167	A	177	LYS	1	0.770	0.897	4.247	-163.237	-162.917	-0.001	-0.088	-0.231	0.000
191	A	201	KCX	-1	-0.505	-0.790	1.563	173.636	160.859	33.894	-12.866	-8.250	-0.108
193	A	203	ASP	0	0.231	0.046	4.279	5.759	5.916	-0.001	-0.050	-0.106	0.000
194	A	204	GLU	0	0.179	-0.018	3.940	-16.608	-16.236	-0.001	-0.088	-0.282	0.000
285	A	294	HIS	0	0.722	0.625	1.974	-5.154	-5.701	7.351	-2.665	-4.139	0.012
286	A	295	ARG	1	0.769	0.857	1.770	-276.122	-277.026	23.849	-13.437	-9.508	0.184
287	A	296	ALA	0	0.011	0.004	5.064	1.022	1.100	-0.001	-0.009	-0.068	0.000
289	A	298	HIS	1	0.849	0.902	3.243	-179.639	-177.285	0.088	-1.233	-1.209	0.012
318	A	327	HIS	0	0.000	0.000	1.607	-59.376	-67.411	26.442	-10.753	-7.654	0.103
319	A	328	SER	0	0.010	-0.006	4.716	-7.987	-7.837	-0.001	-0.020	-0.129	0.000
320	A	329	GLY	0	0.035	0.015	3.549	-11.387	-10.349	0.030	-0.528	-0.539	0.003
321	A	330	THR	0	0.012	0.004	4.508	-20.740	-20.551	0.000	-0.033	-0.156	0.000
325	A	334	LYS	1	0.775	0.874	1.962	-272.469	-270.007	7.818	-5.483	-4.797	0.072
326	A	335	LEU	0	-0.019	-0.002	2.535	-21.212	-17.982	2.441	-2.305	-3.367	0.023
327	A	336	GLU	-1	-0.790	-0.885	5.548	82.769	82.823	-0.001	-0.001	-0.052	0.000
369	A	378	ALA	0	0.036	0.037	4.725	20.509	20.684	-0.001	-0.005	-0.168	0.000
370	A	379	SER	0	-0.005	-0.030	2.027	-31.459	-26.622	6.176	-5.192	-5.821	0.029
371	A	380	GLY	0	0.077	0.037	2.103	6.859	9.362	8.241	-5.656	-5.088	0.030
372	A	381	GLY	0	-0.050	-0.037	1.818	-46.547	-52.772	10.647	-0.611	-3.810	0.060
373	A	382	ILE	0	-0.055	-0.015	3.836	-29.885	-29.096	0.023	-0.408	-0.403	0.003
392	A	401	GLN	0	0.036	0.003	3.802	-23.914	-23.665	-0.001	-0.032	-0.216	0.000
393	A	402	PHE	0	0.037	0.014	3.697	18.602	19.416	0.018	-0.299	-0.533	0.001
394	A	403	GLY	0	0.070	0.045	1.928	-40.901	-40.909	9.103	-5.311	-3.784	0.067
395	A	404	GLY	0	0.046	0.002	1.812	-53.187	-58.774	11.510	-2.260	-3.663	0.059
396	A	405	GLY	0	-0.023	-0.011	3.702	-29.872	-29.165	0.034	-0.316	-0.425	0.005
523	B	65	THR	0	-0.031	-0.064	1.553	-14.004	-27.421	29.522	-11.715	-4.390	0.077
524	B	66	TRP	0	0.016	0.010	2.334	-51.992	-49.651	3.421	-2.368	-3.394	0.033
581	B	123	ASN	0	0.092	0.021	2.687	5.611	8.337	1.317	-1.284	-2.759	-0.005
582	B	124	VAL	0	0.017	0.008	4.977	3.977	4.075	-0.001	-0.005	-0.091	0.000
1	A	11	ALA	0	-0.015	-0.019	50.963	-0.149	-0.149	0.000	0.000	0.000	0.000
2	A	12	GLY	0	0.017	0.015	52.421	0.060	0.060	0.000	0.000	0.000	0.000
3	A	13	PHE	0	-0.020	-0.003	47.365	0.289	0.289	0.000	0.000	0.000	0.000
4	A	14	LYS	1	0.950	0.968	49.772	-23.535	-23.535	0.000	0.000	0.000	0.000
5	A	15	ALA	0	0.035	0.027	48.494	0.451	0.451	0.000	0.000	0.000	0.000
6	A	16	GLY	0	0.034	0.008	47.240	-0.403	-0.403	0.000	0.000	0.000	0.000
7	A	17	VAL	0	0.002	0.004	42.157	0.282	0.282	0.000	0.000	0.000	0.000
8	A	18	LYS	1	0.888	0.955	43.300	-26.949	-26.949	0.000	0.000	0.000	0.000
9	A	19	ASP	-1	-0.875	-0.932	41.122	28.249	28.249	0.000	0.000	0.000	0.000
10	A	20	TYR	0	-0.027	-0.038	35.569	-0.329	-0.329	0.000	0.000	0.000	0.000
11	A	21	ARG	1	0.951	0.954	38.456	-28.949	-28.949	0.000	0.000	0.000	0.000
12	A	22	LEU	0	-0.056	-0.022	39.337	-0.279	-0.279	0.000	0.000	0.000	0.000
13	A	23	THR	0	-0.064	-0.025	39.750	-0.668	-0.668	0.000	0.000	0.000	0.000
14	A	24	TYR	0	0.004	-0.015	35.199	-0.198	-0.198	0.000	0.000	0.000	0.000
15	A	25	TYR	0	0.005	0.019	35.640	0.575	0.575	0.000	0.000	0.000	0.000
16	A	26	THR	0	-0.073	-0.050	36.823	-0.788	-0.788	0.000	0.000	0.000	0.000
17	A	27	PRO	0	0.038	0.022	37.315	0.461	0.461	0.000	0.000	0.000	0.000
18	A	28	ASP	-1	-0.888	-0.928	38.389	27.831	27.831	0.000	0.000	0.000	0.000
19	A	29	TYR	0	-0.175	-0.112	34.217	-0.774	-0.774	0.000	0.000	0.000	0.000
20	A	30	VAL	0	0.016	0.009	37.161	0.551	0.551	0.000	0.000	0.000	0.000
21	A	31	VAL	0	-0.017	-0.009	31.879	-0.147	-0.147	0.000	0.000	0.000	0.000
22	A	32	ARG	1	0.942	0.972	34.285	-30.801	-30.801	0.000	0.000	0.000	0.000
23	A	33	ASP	-1	-0.880	-0.946	32.400	34.793	34.793	0.000	0.000	0.000	0.000
24	A	34	THR	0	-0.043	-0.039	31.284	0.570	0.570	0.000	0.000	0.000	0.000
25	A	35	ASP	-1	-0.808	-0.874	30.599	34.669	34.669	0.000	0.000	0.000	0.000
26	A	36	ILE	0	0.010	0.012	24.454	0.840	0.840	0.000	0.000	0.000	0.000
27	A	37	LEU	0	-0.046	-0.012	25.860	-1.132	-1.132	0.000	0.000	0.000	0.000
28	A	38	ALA	0	0.033	0.026	23.397	2.080	2.080	0.000	0.000	0.000	0.000
29	A	39	ALA	0	0.012	0.014	22.462	-1.830	-1.830	0.000	0.000	0.000	0.000
30	A	40	PHE	0	0.005	-0.010	22.066	2.654	2.654	0.000	0.000	0.000	0.000
31	A	41	ARG	1	0.820	0.909	19.361	-54.174	-54.174	0.000	0.000	0.000	0.000
32	A	42	MET	0	-0.005	-0.003	23.359	0.933	0.933	0.000	0.000	0.000	0.000
33	A	43	THR	0	0.010	0.008	25.188	-0.644	-0.644	0.000	0.000	0.000	0.000
34	A	44	PRO	0	0.042	0.020	27.627	0.314	0.314	0.000	0.000	0.000	0.000
35	A	45	GLN	0	-0.017	0.001	31.077	-0.038	-0.038	0.000	0.000	0.000	0.000
36	A	46	PRO	0	0.032	0.002	33.151	-0.499	-0.499	0.000	0.000	0.000	0.000
37	A	47	GLY	0	-0.010	-0.003	36.149	-0.372	-0.372	0.000	0.000	0.000	0.000
38	A	48	VAL	0	-0.037	-0.003	34.618	-0.704	-0.704	0.000	0.000	0.000	0.000
39	A	49	PRO	0	-0.022	-0.009	35.739	0.579	0.579	0.000	0.000	0.000	0.000
40	A	50	PRO	0	0.087	0.036	33.176	0.421	0.421	0.000	0.000	0.000	0.000
41	A	51	GLU	-1	-0.885	-0.950	33.733	31.757	31.757	0.000	0.000	0.000	0.000
42	A	52	GLU	-1	-0.761	-0.886	35.830	30.508	30.508	0.000	0.000	0.000	0.000
43	A	53	CYS	0	-0.039	-0.010	30.339	0.537	0.537	0.000	0.000	0.000	0.000
44	A	54	GLY	0	0.062	0.019	30.741	0.947	0.947	0.000	0.000	0.000	0.000
45	A	55	ALA	0	-0.031	-0.009	31.685	0.470	0.470	0.000	0.000	0.000	0.000
46	A	56	ALA	0	0.007	0.000	32.641	-0.024	-0.024	0.000	0.000	0.000	0.000
47	A	57	VAL	0	0.006	0.012	26.836	0.339	0.339	0.000	0.000	0.000	0.000
48	A	58	ALA	0	0.019	0.026	29.359	0.622	0.622	0.000	0.000	0.000	0.000
49	A	59	ALA	0	0.000	0.022	31.126	-0.021	-0.021	0.000	0.000	0.000	0.000
50	A	60	GLU	-1	-0.767	-0.882	30.887	33.798	33.798	0.000	0.000	0.000	0.000
51	A	61	SER	0	-0.034	0.004	26.937	0.852	0.852	0.000	0.000	0.000	0.000
52	A	62	SER	0	-0.042	-0.060	28.764	0.036	0.036	0.000	0.000	0.000	0.000
53	A	63	THR	0	-0.035	-0.021	31.543	-0.634	-0.634	0.000	0.000	0.000	0.000
54	A	64	GLY	0	0.022	0.023	34.622	-0.870	-0.870	0.000	0.000	0.000	0.000
55	A	65	THR	0	-0.040	-0.056	34.832	0.945	0.945	0.000	0.000	0.000	0.000
56	A	66	TRP	0	0.019	0.010	36.897	-0.607	-0.607	0.000	0.000	0.000	0.000
57	A	67	THR	0	-0.006	-0.002	38.597	-0.769	-0.769	0.000	0.000	0.000	0.000
58	A	68	THR	0	-0.062	-0.019	41.739	0.433	0.433	0.000	0.000	0.000	0.000
59	A	69	VAL	0	0.038	0.013	41.407	-0.403	-0.403	0.000	0.000	0.000	0.000
60	A	70	TRP	0	-0.034	-0.028	44.293	-0.152	-0.152	0.000	0.000	0.000	0.000
61	A	71	THR	0	-0.050	-0.074	42.680	-0.381	-0.381	0.000	0.000	0.000	0.000
62	A	72	ASP	-1	-0.844	-0.925	41.760	28.115	28.115	0.000	0.000	0.000	0.000
63	A	73	GLY	0	-0.044	-0.020	43.994	0.006	0.006	0.000	0.000	0.000	0.000
64	A	74	LEU	0	-0.099	-0.042	45.899	-0.429	-0.429	0.000	0.000	0.000	0.000
65	A	75	THR	0	-0.051	-0.033	41.388	-0.042	-0.042	0.000	0.000	0.000	0.000
66	A	76	SER	0	-0.010	0.002	42.854	-0.248	-0.248	0.000	0.000	0.000	0.000
67	A	77	LEU	0	0.082	0.020	39.298	0.575	0.575	0.000	0.000	0.000	0.000
68	A	78	ASP	-1	-0.943	-0.963	39.485	27.698	27.698	0.000	0.000	0.000	0.000
69	A	79	ARG	1	0.868	0.947	39.099	-28.211	-28.211	0.000	0.000	0.000	0.000
70	A	80	TYR	0	-0.007	-0.010	36.207	0.279	0.279	0.000	0.000	0.000	0.000
71	A	81	LYS	1	0.866	0.946	34.843	-28.224	-28.224	0.000	0.000	0.000	0.000
72	A	82	GLY	0	0.045	0.020	32.016	0.209	0.209	0.000	0.000	0.000	0.000
73	A	83	ARG	1	0.851	0.921	32.523	-31.500	-31.500	0.000	0.000	0.000	0.000
74	A	84	CYS	0	0.025	0.017	31.932	1.186	1.186	0.000	0.000	0.000	0.000
75	A	85	TYR	0	-0.021	-0.026	29.600	-0.596	-0.596	0.000	0.000	0.000	0.000
76	A	86	ASP	-1	-0.851	-0.926	31.647	34.018	34.018	0.000	0.000	0.000	0.000
77	A	87	ILE	0	-0.066	-0.032	31.186	1.041	1.041	0.000	0.000	0.000	0.000
78	A	88	GLU	-1	-0.808	-0.880	27.761	39.766	39.766	0.000	0.000	0.000	0.000
79	A	89	PRO	0	-0.008	0.004	29.624	0.909	0.909	0.000	0.000	0.000	0.000
80	A	90	VAL	0	0.001	0.001	24.663	0.823	0.823	0.000	0.000	0.000	0.000
81	A	91	PRO	0	-0.032	-0.027	26.663	-0.767	-0.767	0.000	0.000	0.000	0.000
82	A	92	GLY	0	-0.013	-0.009	26.969	1.379	1.379	0.000	0.000	0.000	0.000
83	A	93	GLU	-1	-0.909	-0.954	24.765	45.471	45.471	0.000	0.000	0.000	0.000
84	A	94	ASP	-1	-0.934	-0.958	28.789	35.594	35.594	0.000	0.000	0.000	0.000
85	A	95	ASN	0	-0.083	-0.060	30.037	-1.556	-1.556	0.000	0.000	0.000	0.000
86	A	96	GLN	0	0.060	0.026	23.172	1.694	1.694	0.000	0.000	0.000	0.000
87	A	97	TYR	0	0.012	0.001	27.523	-1.106	-1.106	0.000	0.000	0.000	0.000
88	A	98	ILE	0	-0.021	-0.004	23.488	1.762	1.762	0.000	0.000	0.000	0.000
89	A	99	ALA	0	0.011	0.012	26.817	-1.626	-1.626	0.000	0.000	0.000	0.000
90	A	100	TYR	0	-0.029	-0.019	26.097	2.575	2.575	0.000	0.000	0.000	0.000
91	A	101	VAL	0	0.009	-0.002	27.607	-1.627	-1.627	0.000	0.000	0.000	0.000
92	A	102	ALA	0	-0.028	-0.007	28.131	1.145	1.145	0.000	0.000	0.000	0.000
93	A	103	TYR	0	-0.019	-0.050	26.162	-0.661	-0.661	0.000	0.000	0.000	0.000
94	A	104	HYP	0	0.007	0.006	30.307	0.220	0.220	0.000	0.000	0.000	0.000
95	A	105	ILE	0	0.062	0.024	29.692	0.435	0.435	0.000	0.000	0.000	0.000
96	A	106	ASP	-1	-0.918	-0.966	31.024	32.193	32.193	0.000	0.000	0.000	0.000
97	A	107	LEU	0	-0.091	-0.047	30.271	-0.355	-0.355	0.000	0.000	0.000	0.000
98	A	108	PHE	0	-0.010	0.006	25.471	0.590	0.590	0.000	0.000	0.000	0.000
99	A	109	GLU	-1	-0.785	-0.871	27.226	37.993	37.993	0.000	0.000	0.000	0.000
100	A	110	GLU	-1	-0.783	-0.878	26.651	37.359	37.359	0.000	0.000	0.000	0.000
101	A	111	GLY	0	0.026	0.017	24.494	-0.087	-0.087	0.000	0.000	0.000	0.000
102	A	112	SER	0	-0.015	-0.004	22.986	2.327	2.327	0.000	0.000	0.000	0.000
103	A	113	VAL	0	0.040	0.020	16.746	-0.817	-0.817	0.000	0.000	0.000	0.000
104	A	114	THR	0	-0.005	0.001	20.106	0.954	0.954	0.000	0.000	0.000	0.000
105	A	115	ASN	0	-0.006	-0.001	20.934	-0.740	-0.740	0.000	0.000	0.000	0.000
106	A	116	MET	0	-0.003	0.014	19.333	-1.192	-1.192	0.000	0.000	0.000	0.000
107	A	117	PHE	0	0.002	-0.022	14.999	-0.093	-0.093	0.000	0.000	0.000	0.000
108	A	118	THR	0	-0.006	0.020	20.658	0.401	0.401	0.000	0.000	0.000	0.000
109	A	119	SER	0	0.013	0.009	23.509	-1.493	-1.493	0.000	0.000	0.000	0.000
110	A	120	ILE	0	-0.049	-0.010	22.226	-0.530	-0.530	0.000	0.000	0.000	0.000
111	A	121	VAL	0	-0.016	-0.025	18.467	-0.090	-0.090	0.000	0.000	0.000	0.000
112	A	122	GLY	0	0.024	0.031	21.830	0.843	0.843	0.000	0.000	0.000	0.000
113	A	123	ASN	0	0.097	0.015	23.915	1.505	1.505	0.000	0.000	0.000	0.000
114	A	124	VAL	0	0.024	0.014	24.572	-0.146	-0.146	0.000	0.000	0.000	0.000
115	A	125	PHE	0	0.020	0.017	19.794	-0.793	-0.793	0.000	0.000	0.000	0.000
116	A	126	GLY	0	0.042	0.013	24.063	0.528	0.528	0.000	0.000	0.000	0.000
117	A	127	PHE	0	-0.017	0.001	26.420	-1.327	-1.327	0.000	0.000	0.000	0.000
118	A	128	LYS	1	0.813	0.908	29.442	-32.399	-32.399	0.000	0.000	0.000	0.000
119	A	129	ALA	0	-0.011	0.004	31.881	-0.016	-0.016	0.000	0.000	0.000	0.000
120	A	130	LEU	0	-0.029	-0.016	26.167	-0.323	-0.323	0.000	0.000	0.000	0.000
121	A	131	ARG	1	0.827	0.898	27.915	-38.250	-38.250	0.000	0.000	0.000	0.000
122	A	132	ALA	0	-0.002	-0.001	22.761	1.348	1.348	0.000	0.000	0.000	0.000
123	A	133	LEU	0	-0.015	-0.005	22.501	-1.802	-1.802	0.000	0.000	0.000	0.000
124	A	134	ARG	1	0.825	0.917	13.348	-66.358	-66.358	0.000	0.000	0.000	0.000
125	A	135	LEU	0	-0.023	0.015	18.168	-1.945	-1.945	0.000	0.000	0.000	0.000
126	A	136	GLU	-1	-0.780	-0.890	17.356	63.372	63.372	0.000	0.000	0.000	0.000
127	A	137	ASP	-1	-0.791	-0.918	17.555	58.405	58.405	0.000	0.000	0.000	0.000
128	A	138	LEU	0	0.000	-0.008	18.960	-2.045	-2.045	0.000	0.000	0.000	0.000
129	A	139	ARG	1	0.864	0.958	21.081	-38.652	-38.652	0.000	0.000	0.000	0.000
130	A	140	ILE	0	0.010	-0.014	20.407	-1.804	-1.804	0.000	0.000	0.000	0.000
131	A	141	PRO	0	0.009	0.027	23.693	0.259	0.259	0.000	0.000	0.000	0.000
132	A	142	PRO	0	0.134	0.050	26.734	0.434	0.434	0.000	0.000	0.000	0.000
133	A	143	ALA	0	-0.014	-0.014	28.062	0.162	0.162	0.000	0.000	0.000	0.000
134	A	144	TYR	0	-0.004	-0.019	23.586	0.093	0.093	0.000	0.000	0.000	0.000
135	A	145	VAL	0	0.043	0.035	22.987	0.584	0.584	0.000	0.000	0.000	0.000
136	A	146	LYS	1	0.918	0.949	24.907	-39.037	-39.037	0.000	0.000	0.000	0.000
137	A	147	THR	0	-0.099	-0.052	26.510	-0.542	-0.542	0.000	0.000	0.000	0.000
138	A	148	PHE	0	-0.006	-0.003	21.485	0.213	0.213	0.000	0.000	0.000	0.000
139	A	149	VAL	0	-0.020	-0.001	22.856	-0.655	-0.655	0.000	0.000	0.000	0.000
140	A	150	GLY	0	0.011	0.011	19.981	-0.306	-0.306	0.000	0.000	0.000	0.000
141	A	151	HYP	0	-0.065	-0.045	16.791	1.406	1.406	0.000	0.000	0.000	0.000
142	A	152	PRO	0	-0.028	0.010	17.511	-2.780	-2.780	0.000	0.000	0.000	0.000
143	A	153	HIS	0	-0.051	-0.031	19.054	-5.430	-5.430	0.000	0.000	0.000	0.000
144	A	154	GLY	0	0.065	0.032	17.686	-2.079	-2.079	0.000	0.000	0.000	0.000
145	A	155	ILE	0	-0.030	-0.018	15.164	-1.201	-1.201	0.000	0.000	0.000	0.000
146	A	156	GLN	0	-0.044	-0.018	18.074	0.081	0.081	0.000	0.000	0.000	0.000
147	A	157	VAL	0	0.063	0.034	21.773	-0.731	-0.731	0.000	0.000	0.000	0.000
148	A	158	GLU	-1	-0.804	-0.889	15.275	74.253	74.253	0.000	0.000	0.000	0.000
149	A	159	ARG	1	0.796	0.874	17.566	-63.032	-63.032	0.000	0.000	0.000	0.000
150	A	160	ASP	-1	-0.804	-0.895	20.850	45.769	45.769	0.000	0.000	0.000	0.000
151	A	161	LYS	1	0.793	0.920	21.862	-50.674	-50.674	0.000	0.000	0.000	0.000
152	A	162	LEU	0	-0.034	-0.020	17.043	-0.922	-0.922	0.000	0.000	0.000	0.000
153	A	163	ASN	0	-0.016	0.000	21.471	-0.977	-0.977	0.000	0.000	0.000	0.000
154	A	164	LYS	1	0.747	0.884	17.782	-62.014	-62.014	0.000	0.000	0.000	0.000
155	A	165	TYR	0	0.003	-0.017	21.426	1.205	1.205	0.000	0.000	0.000	0.000
156	A	166	GLY	0	0.014	0.030	22.223	-0.484	-0.484	0.000	0.000	0.000	0.000
157	A	167	ARG	1	0.784	0.875	15.664	-66.229	-66.229	0.000	0.000	0.000	0.000
158	A	168	GLY	0	0.045	0.043	15.167	0.077	0.077	0.000	0.000	0.000	0.000
159	A	169	LEU	0	-0.019	-0.015	13.379	-1.927	-1.927	0.000	0.000	0.000	0.000
160	A	170	LEU	0	-0.014	-0.008	10.232	5.851	5.851	0.000	0.000	0.000	0.000
161	A	171	GLY	0	0.049	0.008	8.488	-5.730	-5.730	0.000	0.000	0.000	0.000
166	A	176	PRO	0	0.042	0.040	7.024	-8.954	-8.954	0.000	0.000	0.000	0.000
168	A	178	LEU	0	-0.024	-0.012	7.386	-6.343	-6.343	0.000	0.000	0.000	0.000
169	A	179	GLY	0	0.058	0.021	10.916	0.092	0.092	0.000	0.000	0.000	0.000
170	A	180	LEU	0	-0.052	-0.005	11.224	-5.499	-5.499	0.000	0.000	0.000	0.000
171	A	181	SER	0	0.053	0.021	14.367	-0.104	-0.104	0.000	0.000	0.000	0.000
172	A	182	ALA	0	0.086	0.029	15.895	2.447	2.447	0.000	0.000	0.000	0.000
173	A	183	LYS	1	0.956	0.984	16.783	-46.283	-46.283	0.000	0.000	0.000	0.000
174	A	184	ASN	0	-0.004	-0.022	15.833	-1.293	-1.293	0.000	0.000	0.000	0.000
175	A	185	TYR	0	0.092	0.049	8.028	1.667	1.667	0.000	0.000	0.000	0.000
176	A	186	GLY	0	0.059	0.032	13.401	2.597	2.597	0.000	0.000	0.000	0.000
177	A	187	ARG	1	0.900	0.951	15.898	-55.594	-55.594	0.000	0.000	0.000	0.000
178	A	188	ALA	0	-0.003	-0.007	11.521	-0.483	-0.483	0.000	0.000	0.000	0.000
179	A	189	VAL	0	0.070	0.031	11.114	2.071	2.071	0.000	0.000	0.000	0.000
180	A	190	TYR	0	-0.075	-0.064	13.092	-0.400	-0.400	0.000	0.000	0.000	0.000
181	A	191	GLU	-1	-0.913	-0.966	14.837	57.877	57.877	0.000	0.000	0.000	0.000
182	A	192	CYS	0	-0.030	-0.009	9.455	-0.228	-0.228	0.000	0.000	0.000	0.000
183	A	193	LEU	0	0.027	0.017	12.691	-1.330	-1.330	0.000	0.000	0.000	0.000
184	A	194	ARG	1	0.728	0.840	14.741	-56.872	-56.872	0.000	0.000	0.000	0.000
185	A	195	GLY	0	-0.029	-0.010	15.593	-2.839	-2.839	0.000	0.000	0.000	0.000
186	A	196	GLY	0	0.035	0.016	15.837	-0.403	-0.403	0.000	0.000	0.000	0.000
187	A	197	LEU	0	-0.047	-0.010	9.193	-0.018	-0.018	0.000	0.000	0.000	0.000
188	A	198	ASP	-1	-0.752	-0.836	12.882	67.526	67.526	0.000	0.000	0.000	0.000
189	A	199	PHE	0	0.010	-0.005	10.484	-3.731	-3.731	0.000	0.000	0.000	0.000
190	A	200	THR	0	-0.029	-0.048	8.432	2.984	2.984	0.000	0.000	0.000	0.000
192	A	202	ASP	-1	-0.706	-0.835	6.617	86.056	86.056	0.000	0.000	0.000	0.000
196	A	205	ASN	0	-0.011	-0.016	5.616	-4.438	-4.438	0.000	0.000	0.000	0.000
197	A	206	VAL	0	-0.060	-0.008	8.212	-9.005	-9.005	0.000	0.000	0.000	0.000
198	A	207	ASN	0	-0.027	-0.008	10.158	-2.728	-2.728	0.000	0.000	0.000	0.000
199	A	208	SER	0	0.024	0.007	12.961	-1.974	-1.974	0.000	0.000	0.000	0.000
200	A	209	GLN	0	0.017	-0.005	12.385	-1.000	-1.000	0.000	0.000	0.000	0.000
201	A	210	PRO	0	-0.006	-0.004	17.470	-1.148	-1.148	0.000	0.000	0.000	0.000
202	A	211	PHE	0	-0.034	-0.004	12.854	-1.552	-1.552	0.000	0.000	0.000	0.000
203	A	212	MET	0	-0.062	-0.016	12.035	-0.766	-0.766	0.000	0.000	0.000	0.000
204	A	213	ARG	1	0.834	0.920	16.713	-50.409	-50.409	0.000	0.000	0.000	0.000
205	A	214	TRP	0	0.057	0.009	16.505	0.261	0.261	0.000	0.000	0.000	0.000
206	A	215	ARG	1	0.974	0.997	17.509	-44.258	-44.258	0.000	0.000	0.000	0.000
207	A	216	ASP	-1	-0.893	-0.949	19.831	48.488	48.488	0.000	0.000	0.000	0.000
208	A	217	ARG	1	0.781	0.858	12.153	-75.144	-75.144	0.000	0.000	0.000	0.000
209	A	218	PHE	0	0.027	0.001	14.640	0.547	0.547	0.000	0.000	0.000	0.000
210	A	219	LEU	0	0.018	0.020	17.655	-0.646	-0.646	0.000	0.000	0.000	0.000
211	A	220	PHE	0	0.001	-0.008	18.149	-0.936	-0.936	0.000	0.000	0.000	0.000
212	A	221	VAL	0	-0.011	-0.003	13.431	0.072	0.072	0.000	0.000	0.000	0.000
213	A	222	THR	0	0.024	0.004	16.367	0.272	0.272	0.000	0.000	0.000	0.000
214	A	223	GLU	-1	-0.993	-0.991	19.188	46.532	46.532	0.000	0.000	0.000	0.000
215	A	224	ALA	0	-0.035	-0.021	16.569	-0.970	-0.970	0.000	0.000	0.000	0.000
216	A	225	ILE	0	0.010	0.004	15.490	0.116	0.116	0.000	0.000	0.000	0.000
217	A	226	TYR	0	-0.011	-0.025	18.023	-0.553	-0.553	0.000	0.000	0.000	0.000
218	A	227	LYS	1	0.904	0.974	21.118	-48.854	-48.854	0.000	0.000	0.000	0.000
219	A	228	ALA	0	0.030	0.006	18.269	-1.404	-1.404	0.000	0.000	0.000	0.000
220	A	229	GLN	0	0.040	0.037	20.198	1.569	1.569	0.000	0.000	0.000	0.000
221	A	230	ALA	0	-0.024	-0.005	21.707	-1.477	-1.477	0.000	0.000	0.000	0.000
222	A	231	GLU	-1	-0.831	-0.898	21.883	49.778	49.778	0.000	0.000	0.000	0.000
223	A	232	THR	0	-0.026	-0.030	19.390	-0.918	-0.918	0.000	0.000	0.000	0.000
224	A	233	GLY	0	-0.008	0.007	22.819	-0.881	-0.881	0.000	0.000	0.000	0.000
225	A	234	GLU	-1	-0.775	-0.866	19.403	56.606	56.606	0.000	0.000	0.000	0.000
226	A	235	VAL	0	0.006	0.002	19.402	0.590	0.590	0.000	0.000	0.000	0.000
227	A	236	LYS	1	0.861	0.951	16.259	-61.694	-61.694	0.000	0.000	0.000	0.000
228	A	237	GLY	0	0.023	-0.004	15.088	-2.874	-2.874	0.000	0.000	0.000	0.000
229	A	238	HIS	0	-0.027	-0.009	9.463	3.596	3.596	0.000	0.000	0.000	0.000
230	A	239	TYR	0	-0.025	-0.022	7.109	-8.501	-8.501	0.000	0.000	0.000	0.000
231	A	240	LEU	0	-0.020	-0.002	9.935	3.867	3.867	0.000	0.000	0.000	0.000
232	A	241	ASN	0	0.021	0.000	8.409	-5.889	-5.889	0.000	0.000	0.000	0.000
233	A	242	ALA	0	-0.016	-0.009	11.259	-4.289	-4.289	0.000	0.000	0.000	0.000
234	A	243	THR	0	-0.025	-0.012	10.243	-4.551	-4.551	0.000	0.000	0.000	0.000
235	A	244	ALA	0	0.000	-0.001	13.130	-0.764	-0.764	0.000	0.000	0.000	0.000
236	A	245	GLY	0	0.041	0.019	16.265	0.793	0.793	0.000	0.000	0.000	0.000
237	A	246	THR	0	0.011	0.010	18.900	-0.546	-0.546	0.000	0.000	0.000	0.000
238	B	247	CYS	0	0.046	0.001	20.141	1.390	1.390	0.000	0.000	0.000	0.000
239	A	248	GLU	-1	-0.810	-0.890	21.699	44.856	44.856	0.000	0.000	0.000	0.000
240	A	249	GLU	-1	-0.842	-0.904	19.735	48.712	48.712	0.000	0.000	0.000	0.000
241	A	250	MET	0	-0.018	0.008	16.345	1.296	1.296	0.000	0.000	0.000	0.000
242	A	251	MET	0	-0.009	-0.006	18.533	1.130	1.130	0.000	0.000	0.000	0.000
243	A	252	LYS	1	0.845	0.910	21.285	-45.774	-45.774	0.000	0.000	0.000	0.000
244	A	253	ARG	1	0.740	0.857	15.732	-59.456	-59.456	0.000	0.000	0.000	0.000
245	A	254	ALA	0	0.048	0.024	18.277	0.673	0.673	0.000	0.000	0.000	0.000
246	A	255	VAL	0	-0.005	0.004	19.121	-0.535	-0.535	0.000	0.000	0.000	0.000
247	A	256	SMC	0	-0.062	-0.012	20.601	-0.289	-0.289	0.000	0.000	0.000	0.000
248	A	257	ALA	0	0.045	0.010	17.715	-0.548	-0.548	0.000	0.000	0.000	0.000
249	A	258	LYS	1	0.888	0.934	19.781	-43.318	-43.318	0.000	0.000	0.000	0.000
250	A	259	GLU	-1	-1.016	-1.015	22.618	40.457	40.457	0.000	0.000	0.000	0.000
251	A	260	LEU	0	-0.071	-0.025	20.598	-1.262	-1.262	0.000	0.000	0.000	0.000
252	A	261	GLY	0	0.013	0.022	23.404	-0.048	-0.048	0.000	0.000	0.000	0.000
253	A	262	VAL	0	-0.038	-0.010	17.943	0.614	0.614	0.000	0.000	0.000	0.000
254	A	263	PRO	0	0.030	0.011	16.766	-0.154	-0.154	0.000	0.000	0.000	0.000
255	A	264	ILE	0	-0.040	-0.021	12.309	0.064	0.064	0.000	0.000	0.000	0.000
256	A	265	ILE	0	0.019	0.027	13.088	0.393	0.393	0.000	0.000	0.000	0.000
257	A	266	MET	0	-0.038	-0.003	5.210	2.225	2.225	0.000	0.000	0.000	0.000
258	A	267	HIS	0	-0.040	-0.036	10.034	-6.392	-6.392	0.000	0.000	0.000	0.000
259	A	268	ASP	-1	-0.770	-0.900	7.594	111.637	111.637	0.000	0.000	0.000	0.000
260	A	269	TYR	0	-0.045	-0.035	7.491	-2.771	-2.771	0.000	0.000	0.000	0.000
261	A	270	LEU	0	-0.032	-0.001	7.859	-6.072	-6.072	0.000	0.000	0.000	0.000
262	A	271	THR	0	-0.036	-0.020	9.970	-4.391	-4.391	0.000	0.000	0.000	0.000
263	A	272	GLY	0	0.024	0.021	12.375	-4.659	-4.659	0.000	0.000	0.000	0.000
264	A	273	GLY	0	-0.002	-0.009	13.803	-4.909	-4.909	0.000	0.000	0.000	0.000
265	A	274	PHE	0	0.072	0.011	13.548	0.648	0.648	0.000	0.000	0.000	0.000
266	A	275	THR	0	0.011	0.030	16.727	-0.637	-0.637	0.000	0.000	0.000	0.000
267	A	276	ALA	0	0.023	-0.010	17.532	-1.360	-1.360	0.000	0.000	0.000	0.000
268	A	277	ASN	0	0.028	0.010	13.871	3.077	3.077	0.000	0.000	0.000	0.000
269	A	278	THR	0	0.008	0.013	16.554	0.209	0.209	0.000	0.000	0.000	0.000
270	A	279	SER	0	-0.018	-0.029	19.368	-1.233	-1.233	0.000	0.000	0.000	0.000
271	A	280	LEU	0	-0.005	-0.002	15.025	-1.459	-1.459	0.000	0.000	0.000	0.000
272	A	281	ALA	0	0.037	0.017	17.488	-0.424	-0.424	0.000	0.000	0.000	0.000
273	A	282	ILE	0	0.000	-0.003	19.128	-1.208	-1.208	0.000	0.000	0.000	0.000
274	A	283	TYR	0	0.044	0.023	20.694	-1.186	-1.186	0.000	0.000	0.000	0.000
275	A	284	CYS	0	-0.035	-0.016	17.891	-0.284	-0.284	0.000	0.000	0.000	0.000
276	A	285	ARG	1	0.847	0.913	20.545	-48.737	-48.737	0.000	0.000	0.000	0.000
277	A	286	ASP	-1	-0.942	-0.967	23.190	41.306	41.306	0.000	0.000	0.000	0.000
278	A	287	ASN	0	-0.106	-0.049	23.275	-2.963	-2.963	0.000	0.000	0.000	0.000
279	A	288	GLY	0	-0.025	0.006	23.055	-0.150	-0.150	0.000	0.000	0.000	0.000
280	A	289	LEU	0	-0.019	-0.012	17.761	0.420	0.420	0.000	0.000	0.000	0.000
281	A	290	PHE	0	-0.015	-0.003	15.302	0.058	0.058	0.000	0.000	0.000	0.000
282	A	291	LEU	0	0.012	-0.003	13.180	0.550	0.550	0.000	0.000	0.000	0.000
283	A	292	HIS	0	-0.007	-0.017	5.360	-7.354	-7.354	0.000	0.000	0.000	0.000
284	A	293	ILE	0	0.022	0.014	8.320	-0.469	-0.469	0.000	0.000	0.000	0.000
288	A	297	MET	0	0.012	-0.016	5.957	-13.447	-13.447	0.000	0.000	0.000	0.000
290	A	299	ALA	0	0.009	0.024	6.602	-9.007	-9.007	0.000	0.000	0.000	0.000
291	A	300	VAL	0	-0.041	-0.007	8.265	-8.242	-8.242	0.000	0.000	0.000	0.000
292	A	301	ILE	0	-0.027	-0.016	10.648	-6.637	-6.637	0.000	0.000	0.000	0.000
293	A	302	ASP	-1	-0.785	-0.885	8.179	108.651	108.651	0.000	0.000	0.000	0.000
294	A	303	ARG	1	0.787	0.895	9.206	-95.348	-95.348	0.000	0.000	0.000	0.000
295	A	304	GLN	0	-0.030	-0.022	11.281	-5.248	-5.248	0.000	0.000	0.000	0.000
296	A	305	ARG	1	0.865	0.940	15.030	-53.925	-53.925	0.000	0.000	0.000	0.000
297	A	306	ASN	0	-0.011	-0.023	17.173	0.466	0.466	0.000	0.000	0.000	0.000
298	A	307	HIS	0	-0.009	-0.020	18.251	-3.677	-3.677	0.000	0.000	0.000	0.000
299	A	308	GLY	0	0.041	0.037	15.913	2.920	2.920	0.000	0.000	0.000	0.000
300	A	309	ILE	0	-0.033	-0.025	14.140	-3.768	-3.768	0.000	0.000	0.000	0.000
301	A	310	HIS	0	0.006	0.017	11.905	4.283	4.283	0.000	0.000	0.000	0.000
302	A	311	PHE	0	0.089	0.023	6.843	1.727	1.727	0.000	0.000	0.000	0.000
303	A	312	ARG	1	0.886	0.932	10.529	-64.848	-64.848	0.000	0.000	0.000	0.000
304	A	313	VAL	0	-0.022	0.007	13.093	-2.243	-2.243	0.000	0.000	0.000	0.000
305	A	314	LEU	0	-0.011	-0.006	9.513	-1.883	-1.883	0.000	0.000	0.000	0.000
306	A	315	ALA	0	0.011	0.019	10.319	0.718	0.718	0.000	0.000	0.000	0.000
307	A	316	LYS	1	0.827	0.907	11.502	-57.960	-57.960	0.000	0.000	0.000	0.000
308	A	317	ALA	0	0.016	0.003	14.031	-2.438	-2.438	0.000	0.000	0.000	0.000
309	A	318	LEU	0	0.005	0.006	10.384	-2.379	-2.379	0.000	0.000	0.000	0.000
310	A	319	ARG	1	0.778	0.898	13.332	-61.141	-61.141	0.000	0.000	0.000	0.000
311	A	320	MET	0	-0.016	-0.011	15.574	-2.523	-2.523	0.000	0.000	0.000	0.000
312	A	321	SER	0	-0.057	-0.032	15.635	-1.007	-1.007	0.000	0.000	0.000	0.000
313	A	322	GLY	0	0.036	0.006	16.148	-2.381	-2.381	0.000	0.000	0.000	0.000
314	A	323	GLY	0	0.031	-0.017	13.349	2.683	2.683	0.000	0.000	0.000	0.000
315	A	324	ASP	-1	-0.728	-0.857	14.382	62.321	62.321	0.000	0.000	0.000	0.000
316	A	325	HIS	1	0.737	0.857	9.406	-89.061	-89.061	0.000	0.000	0.000	0.000
317	A	326	LEU	0	0.038	0.015	6.901	-1.660	-1.660	0.000	0.000	0.000	0.000
322	A	331	VAL	0	0.040	0.050	7.180	-11.763	-11.763	0.000	0.000	0.000	0.000
323	A	332	VAL	0	-0.021	-0.032	9.302	-3.678	-3.678	0.000	0.000	0.000	0.000
324	A	333	GLY	0	0.007	0.015	7.105	-4.081	-4.081	0.000	0.000	0.000	0.000
328	A	337	GLY	0	0.034	0.003	5.903	12.475	12.475	0.000	0.000	0.000	0.000
329	A	338	GLU	-1	-0.839	-0.913	8.146	68.006	68.006	0.000	0.000	0.000	0.000
330	A	339	ARG	1	0.885	0.923	11.806	-64.084	-64.084	0.000	0.000	0.000	0.000
331	A	340	GLU	-1	-0.853	-0.928	13.531	61.026	61.026	0.000	0.000	0.000	0.000
332	A	341	VAL	0	-0.043	-0.020	11.275	-0.870	-0.870	0.000	0.000	0.000	0.000
333	A	342	THR	0	-0.044	-0.034	9.129	4.165	4.165	0.000	0.000	0.000	0.000
334	A	343	LEU	0	-0.025	-0.018	11.274	0.325	0.325	0.000	0.000	0.000	0.000
335	A	344	GLY	0	0.056	0.044	14.445	-2.130	-2.130	0.000	0.000	0.000	0.000
336	A	345	PHE	0	-0.022	-0.024	7.783	-1.410	-1.410	0.000	0.000	0.000	0.000
337	A	346	VAL	0	0.001	-0.007	10.703	1.396	1.396	0.000	0.000	0.000	0.000
338	A	347	ASP	-1	-0.865	-0.921	13.068	60.137	60.137	0.000	0.000	0.000	0.000
339	A	348	LEU	0	-0.084	-0.038	15.410	-1.992	-1.992	0.000	0.000	0.000	0.000
340	A	349	MET	0	-0.067	-0.013	9.308	1.150	1.150	0.000	0.000	0.000	0.000
341	A	350	ARG	1	0.830	0.911	14.050	-72.702	-72.702	0.000	0.000	0.000	0.000
342	A	351	ASP	-1	-0.869	-0.922	16.554	54.512	54.512	0.000	0.000	0.000	0.000
343	A	352	ASP	-1	-0.897	-0.952	20.042	45.462	45.462	0.000	0.000	0.000	0.000
344	A	353	TYR	0	-0.012	-0.007	23.184	-1.106	-1.106	0.000	0.000	0.000	0.000
345	A	354	VAL	0	0.006	0.014	19.640	0.558	0.558	0.000	0.000	0.000	0.000
346	A	355	GLU	-1	-0.901	-0.961	22.972	39.764	39.764	0.000	0.000	0.000	0.000
347	A	356	LYS	1	0.923	0.956	23.510	-39.004	-39.004	0.000	0.000	0.000	0.000
348	A	357	ASP	-1	-0.787	-0.885	21.860	48.537	48.537	0.000	0.000	0.000	0.000
349	A	358	ARG	1	0.859	0.920	21.353	-43.557	-43.557	0.000	0.000	0.000	0.000
350	A	359	SER	0	-0.100	-0.049	21.269	1.609	1.609	0.000	0.000	0.000	0.000
351	A	360	ARG	1	0.987	0.986	17.665	-56.128	-56.128	0.000	0.000	0.000	0.000
352	A	361	GLY	0	-0.055	-0.039	16.976	3.224	3.224	0.000	0.000	0.000	0.000
353	A	362	ILE	0	-0.025	0.007	18.295	1.047	1.047	0.000	0.000	0.000	0.000
354	A	363	TYR	0	-0.053	-0.046	19.353	-3.207	-3.207	0.000	0.000	0.000	0.000
355	A	364	PHE	0	-0.054	-0.032	22.431	-2.605	-2.605	0.000	0.000	0.000	0.000
356	A	365	THR	0	0.047	0.032	23.077	1.775	1.775	0.000	0.000	0.000	0.000
357	A	366	GLN	0	-0.043	-0.018	20.268	-0.075	-0.075	0.000	0.000	0.000	0.000
358	A	367	ASP	-1	-0.848	-0.924	23.481	41.898	41.898	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.030	-0.036	17.528	-0.264	-0.264	0.000	0.000	0.000	0.000
360	A	369	SMC	0	-0.049	-0.011	23.515	-0.428	-0.428	0.000	0.000	0.000	0.000
361	A	370	SER	0	-0.033	-0.031	25.509	-1.420	-1.420	0.000	0.000	0.000	0.000
362	A	371	MET	0	-0.065	-0.003	20.503	0.972	0.972	0.000	0.000	0.000	0.000
363	A	372	PRO	0	0.027	0.022	19.801	1.090	1.090	0.000	0.000	0.000	0.000
364	A	373	GLY	0	0.050	0.034	17.770	1.295	1.295	0.000	0.000	0.000	0.000
365	A	374	VAL	0	-0.026	-0.028	11.638	-0.013	-0.013	0.000	0.000	0.000	0.000
366	A	375	MET	0	0.002	0.005	11.569	0.860	0.860	0.000	0.000	0.000	0.000
367	A	376	PRO	0	-0.003	0.003	9.026	6.069	6.069	0.000	0.000	0.000	0.000
368	A	377	VAL	0	-0.024	-0.015	5.282	-3.941	-3.941	0.000	0.000	0.000	0.000
374	A	383	HIS	0	0.016	-0.023	5.782	7.473	7.473	0.000	0.000	0.000	0.000
375	A	384	VAL	0	0.060	0.022	8.508	-4.645	-4.645	0.000	0.000	0.000	0.000
376	A	385	TRP	0	-0.067	-0.033	11.782	-6.380	-6.380	0.000	0.000	0.000	0.000
377	A	386	HIS	0	0.029	0.022	8.990	0.635	0.635	0.000	0.000	0.000	0.000
378	A	387	MET	0	-0.044	0.005	10.964	0.457	0.457	0.000	0.000	0.000	0.000
379	A	388	PRO	0	0.014	-0.006	13.375	-1.145	-1.145	0.000	0.000	0.000	0.000
380	A	389	ALA	0	0.021	0.014	14.696	-1.971	-1.971	0.000	0.000	0.000	0.000
381	A	390	LEU	0	0.013	0.016	9.462	0.457	0.457	0.000	0.000	0.000	0.000
382	A	391	VAL	0	0.006	-0.004	13.376	-0.818	-0.818	0.000	0.000	0.000	0.000
383	A	392	GLU	-1	-0.885	-0.927	16.155	62.449	62.449	0.000	0.000	0.000	0.000
384	A	393	ILE	0	-0.035	-0.009	12.187	-1.526	-1.526	0.000	0.000	0.000	0.000
385	A	394	PHE	0	-0.031	-0.019	8.654	-0.163	-0.163	0.000	0.000	0.000	0.000
386	A	395	GLY	0	0.020	0.028	13.964	-2.909	-2.909	0.000	0.000	0.000	0.000
387	A	396	ASP	-1	-0.822	-0.915	15.649	63.246	63.246	0.000	0.000	0.000	0.000
388	A	397	ASP	-1	-0.878	-0.924	15.825	63.277	63.277	0.000	0.000	0.000	0.000
389	A	398	ALA	0	0.052	0.006	10.715	2.242	2.242	0.000	0.000	0.000	0.000
390	A	399	CYS	0	-0.062	-0.007	9.504	-3.354	-3.354	0.000	0.000	0.000	0.000
391	A	400	LEU	0	0.003	0.000	8.591	10.154	10.154	0.000	0.000	0.000	0.000
397	A	406	THR	0	-0.062	-0.044	6.017	-21.371	-21.371	0.000	0.000	0.000	0.000
398	A	407	LEU	0	-0.014	-0.028	6.236	-12.919	-12.919	0.000	0.000	0.000	0.000
399	A	408	GLY	0	0.030	0.013	7.334	-6.867	-6.867	0.000	0.000	0.000	0.000
400	A	409	HIS	0	-0.028	0.003	8.536	-5.500	-5.500	0.000	0.000	0.000	0.000
401	A	410	PRO	0	-0.006	-0.015	11.511	-1.934	-1.934	0.000	0.000	0.000	0.000
402	A	411	TRP	0	-0.020	-0.032	14.702	-3.357	-3.357	0.000	0.000	0.000	0.000
403	A	412	GLY	0	0.023	0.025	13.481	-2.914	-2.914	0.000	0.000	0.000	0.000
404	A	413	ASN	0	0.016	0.000	11.075	2.966	2.966	0.000	0.000	0.000	0.000
405	A	414	ALA	0	0.058	0.052	12.624	2.337	2.337	0.000	0.000	0.000	0.000
406	A	415	PRO	0	-0.016	-0.028	15.317	-0.109	-0.109	0.000	0.000	0.000	0.000
407	A	416	GLY	0	0.036	0.012	11.467	-0.033	-0.033	0.000	0.000	0.000	0.000
408	A	417	ALA	0	-0.021	-0.001	11.225	3.365	3.365	0.000	0.000	0.000	0.000
409	A	418	ALA	0	0.024	0.024	12.175	-0.112	-0.112	0.000	0.000	0.000	0.000
410	A	419	ALA	0	-0.045	-0.015	12.941	-1.700	-1.700	0.000	0.000	0.000	0.000
411	A	420	ASN	0	0.006	-0.007	8.472	-2.199	-2.199	0.000	0.000	0.000	0.000
412	A	421	ARG	1	0.756	0.854	11.974	-62.925	-62.925	0.000	0.000	0.000	0.000
413	A	422	VAL	0	-0.029	-0.016	14.714	-2.838	-2.838	0.000	0.000	0.000	0.000
414	A	423	ALA	0	-0.015	-0.007	13.788	-2.295	-2.295	0.000	0.000	0.000	0.000
415	A	424	LEU	0	0.033	0.011	13.732	-1.853	-1.853	0.000	0.000	0.000	0.000
416	A	425	GLU	-1	-0.726	-0.852	15.597	53.643	53.643	0.000	0.000	0.000	0.000
417	A	426	ALA	0	-0.015	-0.008	19.001	-2.870	-2.870	0.000	0.000	0.000	0.000
418	A	427	CYS	0	-0.051	-0.023	17.405	-1.926	-1.926	0.000	0.000	0.000	0.000
419	A	428	THR	0	0.005	-0.008	18.466	-1.123	-1.123	0.000	0.000	0.000	0.000
420	A	429	GLN	0	-0.016	-0.006	20.841	-3.261	-3.261	0.000	0.000	0.000	0.000
421	A	430	ALA	0	-0.013	-0.010	22.860	-1.737	-1.737	0.000	0.000	0.000	0.000
422	A	431	ARG	1	0.821	0.894	19.977	-57.757	-57.757	0.000	0.000	0.000	0.000
423	A	432	ASN	0	-0.018	-0.022	24.390	-0.073	-0.073	0.000	0.000	0.000	0.000
424	A	433	GLU	-1	-0.955	-0.982	26.688	41.429	41.429	0.000	0.000	0.000	0.000
425	A	434	GLY	0	-0.025	-0.002	28.132	-1.554	-1.554	0.000	0.000	0.000	0.000
426	A	435	ARG	1	0.848	0.940	25.776	-45.631	-45.631	0.000	0.000	0.000	0.000
427	A	436	ASP	-1	-0.822	-0.916	24.994	51.003	51.003	0.000	0.000	0.000	0.000
428	A	437	LEU	0	-0.004	-0.015	19.313	0.361	0.361	0.000	0.000	0.000	0.000
429	A	438	ALA	0	0.008	0.008	21.328	1.841	1.841	0.000	0.000	0.000	0.000
430	A	439	ARG	1	0.845	0.930	22.386	-46.593	-46.593	0.000	0.000	0.000	0.000
431	A	440	GLU	-1	-0.820	-0.924	24.631	44.090	44.090	0.000	0.000	0.000	0.000
432	A	441	GLY	0	0.050	0.029	20.233	0.029	0.029	0.000	0.000	0.000	0.000
433	A	442	GLY	0	-0.008	-0.016	20.166	1.124	1.124	0.000	0.000	0.000	0.000
434	A	443	ASP	-1	-0.853	-0.923	21.159	46.191	46.191	0.000	0.000	0.000	0.000
435	A	444	VAL	0	-0.035	-0.007	20.743	-1.215	-1.215	0.000	0.000	0.000	0.000
436	A	445	ILE	0	0.040	0.020	16.407	-0.615	-0.615	0.000	0.000	0.000	0.000
437	A	446	ARG	1	0.900	0.921	19.757	-51.972	-51.972	0.000	0.000	0.000	0.000
438	A	447	SER	0	-0.077	-0.040	22.492	-2.209	-2.209	0.000	0.000	0.000	0.000
439	A	448	ALA	0	0.018	0.011	20.287	-1.400	-1.400	0.000	0.000	0.000	0.000
440	A	449	CYS	0	-0.020	-0.009	19.812	0.324	0.324	0.000	0.000	0.000	0.000
441	A	450	LYS	1	0.883	0.953	21.824	-43.837	-43.837	0.000	0.000	0.000	0.000
442	A	451	TRP	0	0.018	0.015	21.540	-1.359	-1.359	0.000	0.000	0.000	0.000
443	A	452	SER	0	-0.004	0.017	19.584	0.767	0.767	0.000	0.000	0.000	0.000
444	A	453	PRO	0	0.037	0.010	20.715	1.507	1.507	0.000	0.000	0.000	0.000
445	A	454	GLU	-1	-0.799	-0.898	16.707	54.724	54.724	0.000	0.000	0.000	0.000
446	A	455	LEU	0	0.029	0.010	15.337	3.715	3.715	0.000	0.000	0.000	0.000
447	A	456	ALA	0	0.018	0.001	16.829	2.100	2.100	0.000	0.000	0.000	0.000
448	A	457	ALA	0	-0.024	-0.008	17.270	0.513	0.513	0.000	0.000	0.000	0.000
449	A	458	ALA	0	0.013	0.004	12.581	1.982	1.982	0.000	0.000	0.000	0.000
450	A	459	CYS	0	-0.093	-0.052	14.084	3.176	3.176	0.000	0.000	0.000	0.000
451	A	460	GLU	-1	-0.921	-0.958	16.166	55.043	55.043	0.000	0.000	0.000	0.000
452	A	461	VAL	0	-0.049	-0.007	12.236	-0.581	-0.581	0.000	0.000	0.000	0.000
453	A	462	TRP	0	-0.028	-0.031	8.466	1.578	1.578	0.000	0.000	0.000	0.000
454	A	463	LYS	1	0.929	0.983	13.080	-51.745	-51.745	0.000	0.000	0.000	0.000
455	A	464	GLU	-1	-0.926	-0.972	16.015	58.322	58.322	0.000	0.000	0.000	0.000
456	A	465	ILE	0	-0.077	-0.016	9.531	0.689	0.689	0.000	0.000	0.000	0.000
457	A	466	LYS	1	0.987	0.988	12.128	-64.001	-64.001	0.000	0.000	0.000	0.000
458	A	467	PHE	0	0.001	0.002	7.204	1.809	1.809	0.000	0.000	0.000	0.000
459	A	468	GLU	-1	-0.963	-0.977	11.713	71.514	71.514	0.000	0.000	0.000	0.000
460	A	469	PHE	0	0.030	0.005	12.243	-2.223	-2.223	0.000	0.000	0.000	0.000
461	A	470	ASP	-1	-0.841	-0.918	14.921	61.351	61.351	0.000	0.000	0.000	0.000
462	A	471	THR	0	-0.023	-0.005	12.165	3.053	3.053	0.000	0.000	0.000	0.000
463	A	472	ILE	0	-0.022	-0.017	12.758	-5.301	-5.301	0.000	0.000	0.000	0.000
464	A	473	ASP	-1	-0.809	-0.892	11.233	74.403	74.403	0.000	0.000	0.000	0.000
465	A	474	LYS	1	0.834	0.924	13.292	-59.770	-59.770	0.000	0.000	0.000	0.000
466	A	475	LEU	0	0.030	0.024	16.150	-3.709	-3.709	0.000	0.000	0.000	0.000
467	B	9	ALA	0	-0.019	-0.023	25.567	-0.373	-0.373	0.000	0.000	0.000	0.000
468	B	10	GLY	0	0.028	0.022	25.303	-0.382	-0.382	0.000	0.000	0.000	0.000
469	B	11	ALA	0	-0.019	-0.015	19.925	0.359	0.359	0.000	0.000	0.000	0.000
470	B	12	GLY	0	0.024	0.020	19.881	0.409	0.409	0.000	0.000	0.000	0.000
471	B	13	PHE	0	-0.025	-0.006	11.481	0.421	0.421	0.000	0.000	0.000	0.000
472	B	14	LYS	1	0.947	0.967	15.213	-62.782	-62.782	0.000	0.000	0.000	0.000
473	B	15	ALA	0	0.030	0.022	12.300	3.107	3.107	0.000	0.000	0.000	0.000
474	B	16	GLY	0	0.028	0.008	11.199	-4.892	-4.892	0.000	0.000	0.000	0.000
475	B	17	VAL	0	0.000	0.003	9.180	3.285	3.285	0.000	0.000	0.000	0.000
476	B	18	LYS	1	0.897	0.955	11.400	-79.438	-79.438	0.000	0.000	0.000	0.000
477	B	19	ASP	-1	-0.884	-0.934	12.352	72.197	72.197	0.000	0.000	0.000	0.000
478	B	20	TYR	0	-0.036	-0.049	6.696	-4.172	-4.172	0.000	0.000	0.000	0.000
479	B	21	ARG	1	0.945	0.952	13.287	-59.204	-59.204	0.000	0.000	0.000	0.000
480	B	22	LEU	0	-0.045	-0.017	16.191	-3.442	-3.442	0.000	0.000	0.000	0.000
481	B	23	THR	0	-0.061	-0.025	13.947	-3.693	-3.693	0.000	0.000	0.000	0.000
482	B	24	TYR	0	-0.008	-0.018	11.098	-0.939	-0.939	0.000	0.000	0.000	0.000
483	B	25	TYR	0	0.022	0.028	16.123	-0.567	-0.567	0.000	0.000	0.000	0.000
484	B	26	THR	0	-0.080	-0.057	19.384	-0.826	-0.826	0.000	0.000	0.000	0.000
485	B	27	PRO	0	0.026	0.018	22.224	-0.273	-0.273	0.000	0.000	0.000	0.000
486	B	28	ASP	-1	-0.883	-0.923	25.394	41.118	41.118	0.000	0.000	0.000	0.000
487	B	29	TYR	0	-0.161	-0.105	23.671	-0.765	-0.765	0.000	0.000	0.000	0.000
488	B	30	VAL	0	0.009	0.008	26.012	-0.442	-0.442	0.000	0.000	0.000	0.000
489	B	31	VAL	0	-0.025	-0.014	24.886	0.617	0.617	0.000	0.000	0.000	0.000
490	B	32	ARG	1	0.951	0.974	24.829	-47.940	-47.940	0.000	0.000	0.000	0.000
491	B	33	ASP	-1	-0.871	-0.942	26.827	39.999	39.999	0.000	0.000	0.000	0.000
492	B	34	THR	0	-0.052	-0.042	24.977	-0.504	-0.504	0.000	0.000	0.000	0.000
493	B	35	ASP	-1	-0.819	-0.877	22.508	52.364	52.364	0.000	0.000	0.000	0.000
494	B	36	ILE	0	0.007	0.004	18.515	-1.962	-1.962	0.000	0.000	0.000	0.000
495	B	37	LEU	0	-0.047	-0.010	20.238	1.761	1.761	0.000	0.000	0.000	0.000
496	B	38	ALA	0	0.031	0.023	17.365	-0.379	-0.379	0.000	0.000	0.000	0.000
497	B	39	ALA	0	0.016	0.019	19.274	-0.385	-0.385	0.000	0.000	0.000	0.000
498	B	40	PHE	0	0.001	-0.009	13.525	0.465	0.465	0.000	0.000	0.000	0.000
499	B	41	ARG	1	0.824	0.911	18.560	-51.052	-51.052	0.000	0.000	0.000	0.000
500	B	42	MET	0	0.005	-0.004	16.786	3.858	3.858	0.000	0.000	0.000	0.000
501	B	43	THR	0	0.003	0.004	17.533	-4.361	-4.361	0.000	0.000	0.000	0.000
502	B	44	PRO	0	0.021	0.017	17.136	4.248	4.248	0.000	0.000	0.000	0.000
503	B	45	GLN	0	0.000	0.004	13.799	-7.934	-7.934	0.000	0.000	0.000	0.000
504	B	46	PRO	0	0.026	-0.001	17.994	-1.112	-1.112	0.000	0.000	0.000	0.000
505	B	47	GLY	0	-0.010	-0.002	20.476	1.557	1.557	0.000	0.000	0.000	0.000
506	B	48	VAL	0	-0.035	-0.004	16.058	1.328	1.328	0.000	0.000	0.000	0.000
507	B	49	PRO	0	-0.019	-0.007	18.648	-1.331	-1.331	0.000	0.000	0.000	0.000
508	B	50	PRO	0	0.084	0.036	19.212	3.679	3.679	0.000	0.000	0.000	0.000
509	B	51	GLU	-1	-0.876	-0.947	19.613	54.867	54.867	0.000	0.000	0.000	0.000
510	B	52	GLU	-1	-0.760	-0.879	13.927	79.132	79.132	0.000	0.000	0.000	0.000
511	B	53	CYS	0	-0.020	-0.004	15.072	5.835	5.835	0.000	0.000	0.000	0.000
512	B	54	GLY	0	0.038	0.010	14.732	4.007	4.007	0.000	0.000	0.000	0.000
513	B	55	ALA	0	-0.026	-0.012	15.545	2.026	2.026	0.000	0.000	0.000	0.000
514	B	56	ALA	0	0.001	0.003	11.031	3.606	3.606	0.000	0.000	0.000	0.000
515	B	57	VAL	0	0.015	0.017	10.708	7.905	7.905	0.000	0.000	0.000	0.000
516	B	58	ALA	0	0.027	0.029	11.567	3.231	3.231	0.000	0.000	0.000	0.000
517	B	59	ALA	0	-0.012	0.009	10.105	1.208	1.208	0.000	0.000	0.000	0.000
518	B	60	GLU	-1	-0.780	-0.889	5.435	182.186	182.186	0.000	0.000	0.000	0.000
519	B	61	SER	0	-0.034	0.000	7.221	5.206	5.206	0.000	0.000	0.000	0.000
520	B	62	SER	0	-0.027	-0.042	9.886	-7.235	-7.235	0.000	0.000	0.000	0.000
521	B	63	THR	0	-0.014	-0.010	9.832	2.732	2.732	0.000	0.000	0.000	0.000
522	B	64	GLY	0	0.000	0.012	8.026	1.736	1.736	0.000	0.000	0.000	0.000
525	B	67	THR	0	0.006	0.005	5.260	-21.165	-21.165	0.000	0.000	0.000	0.000
526	B	68	THR	0	-0.065	-0.019	6.713	4.727	4.727	0.000	0.000	0.000	0.000
527	B	69	VAL	0	0.036	0.011	5.768	1.014	1.014	0.000	0.000	0.000	0.000
528	B	70	TRP	0	-0.031	-0.031	8.864	-8.443	-8.443	0.000	0.000	0.000	0.000
529	B	71	THR	0	-0.053	-0.077	9.630	-5.483	-5.483	0.000	0.000	0.000	0.000
530	B	72	ASP	-1	-0.845	-0.930	10.695	86.639	86.639	0.000	0.000	0.000	0.000
531	B	73	GLY	0	-0.036	-0.013	12.962	-3.616	-3.616	0.000	0.000	0.000	0.000
532	B	74	LEU	0	-0.099	-0.041	15.174	-3.864	-3.864	0.000	0.000	0.000	0.000
533	B	75	THR	0	-0.057	-0.033	14.452	-3.299	-3.299	0.000	0.000	0.000	0.000
534	B	76	SER	0	-0.003	0.006	17.387	-1.274	-1.274	0.000	0.000	0.000	0.000
535	B	77	LEU	0	0.072	0.014	11.992	-0.633	-0.633	0.000	0.000	0.000	0.000
536	B	78	ASP	-1	-0.943	-0.962	16.081	55.489	55.489	0.000	0.000	0.000	0.000
537	B	79	ARG	1	0.873	0.946	19.368	-52.445	-52.445	0.000	0.000	0.000	0.000
538	B	80	TYR	0	-0.008	-0.013	15.055	-1.016	-1.016	0.000	0.000	0.000	0.000
539	B	81	LYS	1	0.841	0.935	14.556	-59.797	-59.797	0.000	0.000	0.000	0.000
540	B	82	GLY	0	0.063	0.029	14.480	-3.815	-3.815	0.000	0.000	0.000	0.000
541	B	83	ARG	1	0.842	0.919	16.020	-54.606	-54.606	0.000	0.000	0.000	0.000
542	B	84	CYS	0	0.020	0.013	17.722	-1.463	-1.463	0.000	0.000	0.000	0.000
543	B	85	TYR	0	-0.021	-0.024	19.371	-0.454	-0.454	0.000	0.000	0.000	0.000
544	B	86	ASP	-1	-0.853	-0.928	22.729	43.003	43.003	0.000	0.000	0.000	0.000
545	B	87	ILE	0	-0.076	-0.037	21.091	2.898	2.898	0.000	0.000	0.000	0.000
546	B	88	GLU	-1	-0.791	-0.873	24.316	41.954	41.954	0.000	0.000	0.000	0.000
547	B	89	PRO	0	-0.005	0.008	25.749	1.789	1.789	0.000	0.000	0.000	0.000
548	B	90	VAL	0	-0.001	0.001	25.099	-0.868	-0.868	0.000	0.000	0.000	0.000
549	B	91	PRO	0	-0.026	-0.023	28.309	-0.545	-0.545	0.000	0.000	0.000	0.000
550	B	92	GLY	0	-0.016	-0.012	30.961	0.090	0.090	0.000	0.000	0.000	0.000
551	B	93	GLU	-1	-0.919	-0.956	26.317	44.793	44.793	0.000	0.000	0.000	0.000
552	B	94	ASP	-1	-0.930	-0.958	27.647	41.243	41.243	0.000	0.000	0.000	0.000
553	B	95	ASN	0	-0.087	-0.061	20.916	0.543	0.543	0.000	0.000	0.000	0.000
554	B	96	GLN	0	0.064	0.027	22.230	1.827	1.827	0.000	0.000	0.000	0.000
555	B	97	TYR	0	0.003	-0.004	21.841	-2.469	-2.469	0.000	0.000	0.000	0.000
556	B	98	ILE	0	-0.026	-0.009	21.881	2.214	2.214	0.000	0.000	0.000	0.000
557	B	99	ALA	0	0.005	0.006	18.625	-1.138	-1.138	0.000	0.000	0.000	0.000
558	B	100	TYR	0	-0.026	-0.019	19.892	1.509	1.509	0.000	0.000	0.000	0.000
559	B	101	VAL	0	0.011	-0.001	15.686	0.636	0.636	0.000	0.000	0.000	0.000
560	B	102	ALA	0	-0.021	-0.001	19.041	-1.611	-1.611	0.000	0.000	0.000	0.000
561	B	103	TYR	0	-0.012	-0.045	13.259	0.691	0.691	0.000	0.000	0.000	0.000
562	B	104	HYP	0	0.000	0.003	17.289	-2.979	-2.979	0.000	0.000	0.000	0.000
563	B	105	ILE	0	0.051	0.021	18.488	2.351	2.351	0.000	0.000	0.000	0.000
564	B	106	ASP	-1	-0.902	-0.959	18.513	53.893	53.893	0.000	0.000	0.000	0.000
565	B	107	LEU	0	-0.089	-0.049	13.627	2.081	2.081	0.000	0.000	0.000	0.000
566	B	108	PHE	0	-0.016	0.007	14.567	4.141	4.141	0.000	0.000	0.000	0.000
567	B	109	GLU	-1	-0.788	-0.877	16.130	58.456	58.456	0.000	0.000	0.000	0.000
568	B	110	GLU	-1	-0.790	-0.886	17.786	51.621	51.621	0.000	0.000	0.000	0.000
569	B	111	GLY	0	0.029	0.021	21.170	0.307	0.307	0.000	0.000	0.000	0.000
570	B	112	SER	0	-0.009	0.002	16.163	0.055	0.055	0.000	0.000	0.000	0.000
571	B	113	VAL	0	0.038	0.016	17.479	2.241	2.241	0.000	0.000	0.000	0.000
572	B	114	THR	0	-0.010	-0.001	13.510	2.051	2.051	0.000	0.000	0.000	0.000
573	B	115	ASN	0	-0.004	0.000	12.206	2.425	2.425	0.000	0.000	0.000	0.000
574	B	116	MET	0	-0.003	0.010	12.774	3.400	3.400	0.000	0.000	0.000	0.000
575	B	117	PHE	0	0.007	-0.015	12.662	2.299	2.299	0.000	0.000	0.000	0.000
576	B	118	THR	0	-0.005	0.016	8.050	3.653	3.653	0.000	0.000	0.000	0.000
577	B	119	SER	0	0.020	0.017	8.217	11.565	11.565	0.000	0.000	0.000	0.000
578	B	120	ILE	0	-0.049	-0.007	9.562	5.115	5.115	0.000	0.000	0.000	0.000
579	B	121	VAL	0	-0.005	-0.026	10.414	-0.028	-0.028	0.000	0.000	0.000	0.000
580	B	122	GLY	0	0.011	0.031	6.566	3.094	3.094	0.000	0.000	0.000	0.000
583	B	125	PHE	0	0.023	0.015	8.322	-3.952	-3.952	0.000	0.000	0.000	0.000
584	B	126	GLY	0	0.034	0.011	5.968	-6.965	-6.965	0.000	0.000	0.000	0.000
585	B	127	PHE	0	-0.017	0.001	5.340	3.835	3.835	0.000	0.000	0.000	0.000
586	B	128	LYS	1	0.816	0.917	8.417	-119.999	-119.999	0.000	0.000	0.000	0.000
587	B	129	ALA	0	0.002	0.009	10.403	-7.637	-7.637	0.000	0.000	0.000	0.000
588	B	130	LEU	0	-0.028	-0.016	11.452	-6.921	-6.921	0.000	0.000	0.000	0.000
589	B	131	ARG	1	0.823	0.898	12.869	-58.692	-58.692	0.000	0.000	0.000	0.000
590	B	132	ALA	0	0.002	0.000	14.735	-0.169	-0.169	0.000	0.000	0.000	0.000
591	B	133	LEU	0	-0.015	-0.004	12.332	-0.435	-0.435	0.000	0.000	0.000	0.000
592	B	134	ARG	1	0.836	0.921	15.375	-50.976	-50.976	0.000	0.000	0.000	0.000
593	B	135	LEU	0	-0.023	0.015	15.447	-1.497	-1.497	0.000	0.000	0.000	0.000
594	B	136	GLU	-1	-0.783	-0.890	17.598	48.403	48.403	0.000	0.000	0.000	0.000
595	B	137	ASP	-1	-0.799	-0.923	20.807	44.446	44.446	0.000	0.000	0.000	0.000
596	B	138	LEU	0	-0.001	-0.003	17.277	2.651	2.651	0.000	0.000	0.000	0.000
597	B	139	ARG	1	0.874	0.963	21.397	-47.753	-47.753	0.000	0.000	0.000	0.000
598	B	140	ILE	0	0.011	-0.011	21.135	1.857	1.857	0.000	0.000	0.000	0.000
599	B	141	PRO	0	0.005	0.025	23.378	-2.109	-2.109	0.000	0.000	0.000	0.000
600	B	142	PRO	0	0.133	0.049	26.494	0.854	0.854	0.000	0.000	0.000	0.000
601	B	143	ALA	0	-0.020	-0.017	26.907	-0.109	-0.109	0.000	0.000	0.000	0.000
602	B	144	TYR	0	-0.003	-0.018	18.778	0.621	0.621	0.000	0.000	0.000	0.000
603	B	145	VAL	0	0.032	0.024	24.644	0.511	0.511	0.000	0.000	0.000	0.000
604	B	146	LYS	1	0.932	0.957	26.734	-36.616	-36.616	0.000	0.000	0.000	0.000
605	B	147	THR	0	-0.103	-0.043	23.807	-0.062	-0.062	0.000	0.000	0.000	0.000
606	B	148	PHE	0	-0.011	-0.006	20.614	0.777	0.777	0.000	0.000	0.000	0.000
607	B	149	VAL	0	-0.014	-0.001	26.240	-1.318	-1.318	0.000	0.000	0.000	0.000
608	B	150	GLY	0	0.017	0.018	27.502	-1.330	-1.330	0.000	0.000	0.000	0.000
609	B	151	HYP	0	-0.058	-0.040	28.718	-0.103	-0.103	0.000	0.000	0.000	0.000
610	B	152	PRO	0	-0.032	0.012	30.449	-0.676	-0.676	0.000	0.000	0.000	0.000
611	B	153	HIS	0	-0.046	-0.033	33.323	-1.588	-1.588	0.000	0.000	0.000	0.000
612	B	154	GLY	0	0.048	0.027	35.128	-0.187	-0.187	0.000	0.000	0.000	0.000
613	B	155	ILE	0	-0.033	-0.018	35.953	-0.887	-0.887	0.000	0.000	0.000	0.000
614	B	156	GLN	0	-0.040	-0.018	38.516	-0.137	-0.137	0.000	0.000	0.000	0.000
615	B	157	VAL	0	0.062	0.031	39.347	-0.642	-0.642	0.000	0.000	0.000	0.000
616	B	158	GLU	-1	-0.825	-0.901	37.838	30.798	30.798	0.000	0.000	0.000	0.000
617	B	159	ARG	1	0.829	0.888	40.836	-28.144	-28.144	0.000	0.000	0.000	0.000
618	B	160	ASP	-1	-0.823	-0.904	43.973	25.921	25.921	0.000	0.000	0.000	0.000
619	B	161	LYS	1	0.803	0.926	40.280	-29.906	-29.906	0.000	0.000	0.000	0.000
620	B	162	LEU	0	-0.021	-0.012	41.557	-0.530	-0.530	0.000	0.000	0.000	0.000
621	B	163	ASN	0	-0.023	-0.002	45.785	-0.430	-0.430	0.000	0.000	0.000	0.000
622	B	164	LYS	1	0.766	0.892	45.113	-26.042	-26.042	0.000	0.000	0.000	0.000
623	B	165	TYR	0	-0.008	-0.028	46.664	0.449	0.449	0.000	0.000	0.000	0.000
624	B	166	GLY	0	0.012	0.025	48.211	-0.467	-0.467	0.000	0.000	0.000	0.000
625	B	167	ARG	1	0.783	0.884	46.403	-25.675	-25.675	0.000	0.000	0.000	0.000
626	B	168	GLY	0	0.051	0.045	43.384	0.419	0.419	0.000	0.000	0.000	0.000
627	B	169	LEU	0	-0.031	-0.021	40.406	-0.634	-0.634	0.000	0.000	0.000	0.000
628	B	170	LEU	0	-0.013	-0.005	42.057	0.314	0.314	0.000	0.000	0.000	0.000
629	B	171	GLY	0	0.064	0.011	39.521	-0.096	-0.096	0.000	0.000	0.000	0.000
630	B	172	CYS	0	-0.056	-0.026	39.354	-0.385	-0.385	0.000	0.000	0.000	0.000
631	B	173	THR	0	0.082	0.047	34.401	-0.038	-0.038	0.000	0.000	0.000	0.000
632	B	174	ILE	0	0.009	0.000	37.472	-0.706	-0.706	0.000	0.000	0.000	0.000
633	B	175	LYS	1	0.820	0.910	34.616	-32.078	-32.078	0.000	0.000	0.000	0.000
634	B	176	PRO	0	0.057	0.044	38.134	-0.849	-0.849	0.000	0.000	0.000	0.000
635	B	177	LYS	1	0.767	0.890	30.516	-36.415	-36.415	0.000	0.000	0.000	0.000
636	B	178	LEU	0	-0.025	-0.010	30.506	0.074	0.074	0.000	0.000	0.000	0.000
637	B	179	GLY	0	0.055	0.019	35.173	-0.572	-0.572	0.000	0.000	0.000	0.000
638	B	180	LEU	0	-0.037	0.003	38.148	-1.000	-1.000	0.000	0.000	0.000	0.000
639	B	181	SER	0	0.053	0.020	39.574	0.423	0.423	0.000	0.000	0.000	0.000
640	B	182	ALA	0	0.098	0.033	41.105	-0.059	-0.059	0.000	0.000	0.000	0.000
641	B	183	LYS	1	0.944	0.980	42.046	-23.671	-23.671	0.000	0.000	0.000	0.000
642	B	184	ASN	0	0.001	-0.017	44.317	-0.855	-0.855	0.000	0.000	0.000	0.000
643	B	185	TYR	0	0.086	0.047	36.362	-0.164	-0.164	0.000	0.000	0.000	0.000
644	B	186	GLY	0	0.055	0.031	42.522	-0.035	-0.035	0.000	0.000	0.000	0.000
645	B	187	ARG	1	0.895	0.950	44.874	-24.151	-24.151	0.000	0.000	0.000	0.000
646	B	188	ALA	0	-0.004	-0.007	43.661	-0.380	-0.380	0.000	0.000	0.000	0.000
647	B	189	VAL	0	0.066	0.027	41.789	-0.201	-0.201	0.000	0.000	0.000	0.000
648	B	190	TYR	0	-0.072	-0.064	44.597	-0.263	-0.263	0.000	0.000	0.000	0.000
649	B	191	GLU	-1	-0.907	-0.964	48.177	22.602	22.602	0.000	0.000	0.000	0.000
650	B	192	CYS	0	-0.052	-0.019	43.523	-0.326	-0.326	0.000	0.000	0.000	0.000
651	B	193	LEU	0	0.031	0.018	43.628	-0.289	-0.289	0.000	0.000	0.000	0.000
652	B	194	ARG	1	0.747	0.849	47.345	-22.411	-22.411	0.000	0.000	0.000	0.000
653	B	195	GLY	0	-0.030	-0.009	50.141	-0.456	-0.456	0.000	0.000	0.000	0.000
654	B	196	GLY	0	0.016	0.011	50.002	-0.208	-0.208	0.000	0.000	0.000	0.000
655	B	197	LEU	0	-0.028	-0.003	43.830	0.117	0.117	0.000	0.000	0.000	0.000
656	B	198	ASP	-1	-0.750	-0.843	43.465	25.875	25.875	0.000	0.000	0.000	0.000
657	B	199	PHE	0	0.016	-0.004	39.737	0.076	0.076	0.000	0.000	0.000	0.000
658	B	200	THR	0	-0.029	-0.045	40.330	-0.492	-0.492	0.000	0.000	0.000	0.000
659	B	201	KCX	-1	-0.486	-0.767	32.081	36.317	36.317	0.000	0.000	0.000	0.000
660	B	202	ASP	-1	-0.707	-0.835	33.550	31.999	31.999	0.000	0.000	0.000	0.000
661	B	203	ASP	0	0.195	0.042	32.939	0.345	0.345	0.000	0.000	0.000	0.000
662	B	204	GLU	0	0.166	-0.021	27.321	-0.065	-0.065	0.000	0.000	0.000	0.000
663	B	1476	merge:B:AS	-1	-1.796	-1.111	27.119	35.682	35.682	0.000	0.000	0.000	0.000
664	B	205	ASN	0	0.000	-0.001	27.666	-0.079	-0.079	0.000	0.000	0.000	0.000
665	B	206	VAL	0	-0.053	-0.003	28.762	-0.306	-0.306	0.000	0.000	0.000	0.000
666	B	207	ASN	0	-0.029	-0.011	27.002	1.604	1.604	0.000	0.000	0.000	0.000
667	B	208	SER	0	0.019	0.006	30.510	-1.890	-1.890	0.000	0.000	0.000	0.000
668	B	209	GLN	0	0.026	0.000	30.237	0.369	0.369	0.000	0.000	0.000	0.000
669	B	210	PRO	0	-0.001	0.000	32.892	-1.043	-1.043	0.000	0.000	0.000	0.000
670	B	211	PHE	0	-0.035	-0.003	33.657	-0.990	-0.990	0.000	0.000	0.000	0.000
671	B	212	MET	0	-0.079	-0.023	36.323	-1.246	-1.246	0.000	0.000	0.000	0.000
672	B	213	ARG	1	0.841	0.921	32.852	-32.546	-32.546	0.000	0.000	0.000	0.000
673	B	214	TRP	0	0.039	0.006	33.573	-0.990	-0.990	0.000	0.000	0.000	0.000
674	B	215	ARG	1	0.985	0.994	35.924	-29.047	-29.047	0.000	0.000	0.000	0.000
675	B	216	ASP	-1	-0.898	-0.949	38.735	27.631	27.631	0.000	0.000	0.000	0.000
676	B	217	ARG	1	0.786	0.861	33.554	-33.670	-33.670	0.000	0.000	0.000	0.000
677	B	218	PHE	0	0.022	0.002	34.082	-0.662	-0.662	0.000	0.000	0.000	0.000
678	B	219	LEU	0	0.008	0.012	40.062	-0.509	-0.509	0.000	0.000	0.000	0.000
679	B	220	PHE	0	0.000	-0.009	43.625	-0.647	-0.647	0.000	0.000	0.000	0.000
680	B	221	VAL	0	0.006	0.001	40.221	-0.537	-0.537	0.000	0.000	0.000	0.000
681	B	222	THR	0	0.011	0.001	42.733	-0.227	-0.227	0.000	0.000	0.000	0.000
682	B	223	GLU	-1	-0.987	-0.986	44.805	23.183	23.183	0.000	0.000	0.000	0.000
683	B	224	ALA	0	-0.032	-0.020	45.668	-0.521	-0.521	0.000	0.000	0.000	0.000
684	B	225	ILE	0	0.002	0.002	42.003	-0.375	-0.375	0.000	0.000	0.000	0.000
685	B	226	TYR	0	-0.012	-0.025	46.084	-0.456	-0.456	0.000	0.000	0.000	0.000
686	B	227	LYS	1	0.909	0.976	49.665	-22.556	-22.556	0.000	0.000	0.000	0.000
687	B	228	ALA	0	0.046	0.011	48.902	-0.466	-0.466	0.000	0.000	0.000	0.000
688	B	229	GLN	0	0.036	0.041	48.464	0.193	0.193	0.000	0.000	0.000	0.000
689	B	230	ALA	0	-0.027	-0.006	51.155	-0.361	-0.361	0.000	0.000	0.000	0.000
690	B	231	GLU	-1	-0.845	-0.905	54.198	21.588	21.588	0.000	0.000	0.000	0.000
691	B	232	THR	0	-0.028	-0.036	51.970	-0.260	-0.260	0.000	0.000	0.000	0.000
692	B	233	GLY	0	-0.001	0.009	54.441	-0.274	-0.274	0.000	0.000	0.000	0.000
693	B	234	GLU	-1	-0.782	-0.866	50.307	23.571	23.571	0.000	0.000	0.000	0.000
694	B	235	VAL	0	0.017	0.007	45.867	0.069	0.069	0.000	0.000	0.000	0.000
695	B	236	LYS	1	0.844	0.936	45.828	-24.514	-24.514	0.000	0.000	0.000	0.000
696	B	237	GLY	0	0.015	-0.007	41.931	0.120	0.120	0.000	0.000	0.000	0.000
697	B	238	HIS	0	-0.017	-0.003	37.525	-0.868	-0.868	0.000	0.000	0.000	0.000
698	B	239	TYR	0	-0.031	-0.026	34.200	-0.059	-0.059	0.000	0.000	0.000	0.000
699	B	240	LEU	0	-0.024	-0.002	35.400	0.259	0.259	0.000	0.000	0.000	0.000
700	B	241	ASN	0	0.020	-0.002	28.977	1.373	1.373	0.000	0.000	0.000	0.000
701	B	242	ALA	0	-0.010	-0.006	29.807	-0.521	-0.521	0.000	0.000	0.000	0.000
702	B	243	THR	0	-0.023	-0.009	24.465	1.376	1.376	0.000	0.000	0.000	0.000
703	B	244	ALA	0	0.001	-0.006	25.208	-1.336	-1.336	0.000	0.000	0.000	0.000
704	B	245	GLY	0	0.037	0.022	22.888	1.701	1.701	0.000	0.000	0.000	0.000
705	B	246	THR	0	0.015	0.010	22.008	1.617	1.617	0.000	0.000	0.000	0.000
706	B	248	GLU	-1	-0.812	-0.890	24.875	43.682	43.682	0.000	0.000	0.000	0.000
707	B	249	GLU	-1	-0.843	-0.906	27.425	35.019	35.019	0.000	0.000	0.000	0.000
708	B	250	MET	0	-0.017	0.012	25.502	-0.918	-0.918	0.000	0.000	0.000	0.000
709	B	251	MET	0	-0.004	-0.004	27.405	-1.625	-1.625	0.000	0.000	0.000	0.000
710	B	252	LYS	1	0.852	0.913	30.603	-36.569	-36.569	0.000	0.000	0.000	0.000
711	B	253	ARG	1	0.726	0.841	29.716	-38.968	-38.968	0.000	0.000	0.000	0.000
712	B	254	ALA	0	0.057	0.029	31.951	-0.985	-0.985	0.000	0.000	0.000	0.000
713	B	255	VAL	0	0.000	0.002	33.893	-0.941	-0.941	0.000	0.000	0.000	0.000
714	B	256	SMC	0	-0.064	-0.013	36.499	-1.003	-1.003	0.000	0.000	0.000	0.000
715	B	257	ALA	0	0.049	0.013	36.871	-0.864	-0.864	0.000	0.000	0.000	0.000
716	B	258	LYS	1	0.900	0.941	38.158	-30.620	-30.620	0.000	0.000	0.000	0.000
717	B	259	GLU	-1	-1.028	-1.023	39.860	28.222	28.222	0.000	0.000	0.000	0.000
718	B	260	LEU	0	-0.073	-0.024	40.981	-0.768	-0.768	0.000	0.000	0.000	0.000
719	B	261	GLY	0	0.013	0.021	43.102	-0.637	-0.637	0.000	0.000	0.000	0.000
720	B	262	VAL	0	-0.041	-0.013	40.010	-0.316	-0.316	0.000	0.000	0.000	0.000
721	B	263	PRO	0	0.038	0.013	41.026	0.530	0.530	0.000	0.000	0.000	0.000
722	B	264	ILE	0	-0.034	-0.012	35.780	0.413	0.413	0.000	0.000	0.000	0.000
723	B	265	ILE	0	0.020	0.023	31.815	-0.363	-0.363	0.000	0.000	0.000	0.000
724	B	266	MET	0	-0.048	-0.011	29.893	-0.385	-0.385	0.000	0.000	0.000	0.000
725	B	267	HIS	0	-0.031	-0.029	22.726	0.286	0.286	0.000	0.000	0.000	0.000
726	B	268	ASP	-1	-0.757	-0.890	23.974	41.871	41.871	0.000	0.000	0.000	0.000
727	B	269	TYR	0	-0.070	-0.049	21.514	1.584	1.584	0.000	0.000	0.000	0.000
728	B	270	LEU	0	-0.031	-0.001	17.826	2.165	2.165	0.000	0.000	0.000	0.000
729	B	271	THR	0	-0.032	-0.021	17.775	2.558	2.558	0.000	0.000	0.000	0.000
730	B	272	GLY	0	0.022	0.020	19.171	0.942	0.942	0.000	0.000	0.000	0.000
731	B	273	GLY	0	0.004	-0.004	17.836	1.923	1.923	0.000	0.000	0.000	0.000
732	B	274	PHE	0	0.061	0.008	16.363	-3.319	-3.319	0.000	0.000	0.000	0.000
733	B	275	THR	0	0.001	0.026	17.176	-1.286	-1.286	0.000	0.000	0.000	0.000
734	B	276	ALA	0	0.043	-0.006	19.497	-2.301	-2.301	0.000	0.000	0.000	0.000
735	B	277	ASN	0	0.026	0.011	21.789	-3.096	-3.096	0.000	0.000	0.000	0.000
736	B	278	THR	0	-0.001	0.005	21.479	-2.048	-2.048	0.000	0.000	0.000	0.000
737	B	279	SER	0	-0.020	-0.029	23.778	-0.792	-0.792	0.000	0.000	0.000	0.000
738	B	280	LEU	0	-0.007	0.000	25.582	-1.886	-1.886	0.000	0.000	0.000	0.000
739	B	281	ALA	0	0.028	0.014	27.370	-1.819	-1.819	0.000	0.000	0.000	0.000
740	B	282	ILE	0	0.014	0.004	26.012	-1.414	-1.414	0.000	0.000	0.000	0.000
741	B	283	TYR	0	0.048	0.022	29.794	-1.655	-1.655	0.000	0.000	0.000	0.000
742	B	284	CYS	0	-0.042	-0.019	31.736	-1.441	-1.441	0.000	0.000	0.000	0.000
743	B	285	ARG	1	0.843	0.908	32.786	-36.358	-36.358	0.000	0.000	0.000	0.000
744	B	286	ASP	-1	-0.936	-0.965	33.106	33.940	33.940	0.000	0.000	0.000	0.000
745	B	287	ASN	0	-0.113	-0.056	35.189	-1.798	-1.798	0.000	0.000	0.000	0.000
746	B	288	GLY	0	-0.027	0.007	37.658	-0.751	-0.751	0.000	0.000	0.000	0.000
747	B	289	LEU	0	-0.017	-0.016	35.482	-0.586	-0.586	0.000	0.000	0.000	0.000
748	B	290	PHE	0	-0.034	-0.006	35.823	0.538	0.538	0.000	0.000	0.000	0.000
749	B	291	LEU	0	0.011	-0.007	28.279	0.029	0.029	0.000	0.000	0.000	0.000
750	B	292	HIS	0	0.003	-0.014	31.311	-0.168	-0.168	0.000	0.000	0.000	0.000
751	B	293	ILE	0	-0.003	0.004	25.731	0.607	0.607	0.000	0.000	0.000	0.000
752	B	294	HIS	0	0.085	0.027	26.972	0.538	0.538	0.000	0.000	0.000	0.000
753	B	295	ARG	1	0.771	0.858	24.041	-39.526	-39.526	0.000	0.000	0.000	0.000
754	B	296	ALA	0	0.029	0.008	23.319	1.327	1.327	0.000	0.000	0.000	0.000
755	B	297	MET	0	-0.003	-0.017	15.288	1.987	1.987	0.000	0.000	0.000	0.000
756	B	298	HIS	1	0.851	0.903	19.370	-43.720	-43.720	0.000	0.000	0.000	0.000
757	B	299	ALA	0	0.012	0.028	20.082	1.733	1.733	0.000	0.000	0.000	0.000
758	B	300	VAL	0	-0.036	-0.007	15.989	0.232	0.232	0.000	0.000	0.000	0.000
759	B	301	ILE	0	-0.023	-0.015	14.923	2.599	2.599	0.000	0.000	0.000	0.000
760	B	302	ASP	-1	-0.807	-0.896	17.284	49.842	49.842	0.000	0.000	0.000	0.000
761	B	303	ARG	1	0.800	0.906	20.471	-43.877	-43.877	0.000	0.000	0.000	0.000
762	B	304	GLN	0	-0.031	-0.027	19.970	-2.519	-2.519	0.000	0.000	0.000	0.000
763	B	305	ARG	1	0.868	0.939	21.163	-41.820	-41.820	0.000	0.000	0.000	0.000
764	B	306	ASN	0	-0.006	-0.018	19.414	0.188	0.188	0.000	0.000	0.000	0.000
765	B	307	HIS	0	-0.024	-0.024	12.047	-0.326	-0.326	0.000	0.000	0.000	0.000
766	B	308	GLY	0	0.062	0.045	15.064	-1.979	-1.979	0.000	0.000	0.000	0.000
767	B	309	ILE	0	-0.023	-0.025	13.921	1.820	1.820	0.000	0.000	0.000	0.000
768	B	310	HIS	0	0.008	0.017	17.767	-1.150	-1.150	0.000	0.000	0.000	0.000
769	B	311	PHE	0	0.075	0.023	21.400	0.817	0.817	0.000	0.000	0.000	0.000
770	B	312	ARG	1	0.900	0.939	23.262	-46.223	-46.223	0.000	0.000	0.000	0.000
771	B	313	VAL	0	-0.030	0.002	18.215	-0.580	-0.580	0.000	0.000	0.000	0.000
772	B	314	LEU	0	-0.015	-0.012	17.738	0.498	0.498	0.000	0.000	0.000	0.000
773	B	315	ALA	0	0.010	0.020	21.301	-0.476	-0.476	0.000	0.000	0.000	0.000
774	B	316	LYS	1	0.839	0.915	22.917	-46.842	-46.842	0.000	0.000	0.000	0.000
775	B	317	ALA	0	0.025	0.008	19.661	-0.426	-0.426	0.000	0.000	0.000	0.000
776	B	318	LEU	0	0.009	0.010	21.547	-0.011	-0.011	0.000	0.000	0.000	0.000
777	B	319	ARG	1	0.771	0.896	24.092	-38.611	-38.611	0.000	0.000	0.000	0.000
778	B	320	MET	0	-0.016	-0.017	20.964	-0.779	-0.779	0.000	0.000	0.000	0.000
779	B	321	SER	0	-0.058	-0.036	21.821	-0.664	-0.664	0.000	0.000	0.000	0.000
780	B	322	GLY	0	0.034	0.007	23.798	-0.722	-0.722	0.000	0.000	0.000	0.000
781	B	323	GLY	0	0.039	-0.012	27.308	0.710	0.710	0.000	0.000	0.000	0.000
782	B	324	ASP	-1	-0.729	-0.857	29.630	34.109	34.109	0.000	0.000	0.000	0.000
783	B	325	HIS	1	0.735	0.864	32.158	-33.658	-33.658	0.000	0.000	0.000	0.000
784	B	326	LEU	0	0.043	0.018	25.878	1.151	1.151	0.000	0.000	0.000	0.000
785	B	327	HIS	0	0.048	0.063	28.756	-1.199	-1.199	0.000	0.000	0.000	0.000
786	B	328	SER	0	0.014	-0.008	28.851	1.103	1.103	0.000	0.000	0.000	0.000
787	B	329	GLY	0	0.035	0.019	30.934	0.352	0.352	0.000	0.000	0.000	0.000
788	B	330	THR	0	0.018	0.009	31.857	-0.745	-0.745	0.000	0.000	0.000	0.000
789	B	331	VAL	0	0.022	0.043	34.206	-1.027	-1.027	0.000	0.000	0.000	0.000
790	B	332	VAL	0	-0.010	-0.027	35.650	0.018	0.018	0.000	0.000	0.000	0.000
791	B	333	GLY	0	0.005	0.014	36.620	-0.612	-0.612	0.000	0.000	0.000	0.000
792	B	334	LYS	1	0.777	0.876	32.960	-33.471	-33.471	0.000	0.000	0.000	0.000
793	B	335	LEU	0	-0.017	-0.003	28.767	0.545	0.545	0.000	0.000	0.000	0.000
794	B	336	GLU	-1	-0.781	-0.882	28.023	39.713	39.713	0.000	0.000	0.000	0.000
795	B	337	GLY	0	0.032	0.004	29.680	0.912	0.912	0.000	0.000	0.000	0.000
796	B	338	GLU	-1	-0.826	-0.905	31.074	33.919	33.919	0.000	0.000	0.000	0.000
797	B	339	ARG	1	0.890	0.925	33.110	-29.031	-29.031	0.000	0.000	0.000	0.000
798	B	340	GLU	-1	-0.882	-0.947	34.780	32.102	32.102	0.000	0.000	0.000	0.000
799	B	341	VAL	0	-0.039	-0.021	28.475	0.608	0.608	0.000	0.000	0.000	0.000
800	B	342	THR	0	-0.055	-0.040	30.886	0.908	0.908	0.000	0.000	0.000	0.000
801	B	343	LEU	0	-0.014	-0.016	32.321	0.092	0.092	0.000	0.000	0.000	0.000
802	B	344	GLY	0	0.034	0.034	31.875	-0.203	-0.203	0.000	0.000	0.000	0.000
803	B	345	PHE	0	-0.028	-0.025	28.154	0.508	0.508	0.000	0.000	0.000	0.000
804	B	346	VAL	0	0.011	-0.001	30.020	0.302	0.302	0.000	0.000	0.000	0.000
805	B	347	ASP	-1	-0.851	-0.914	32.992	32.920	32.920	0.000	0.000	0.000	0.000
806	B	348	LEU	0	-0.092	-0.042	27.241	0.415	0.415	0.000	0.000	0.000	0.000
807	B	349	MET	0	-0.072	-0.016	29.055	0.871	0.871	0.000	0.000	0.000	0.000
808	B	350	ARG	1	0.830	0.906	30.904	-31.954	-31.954	0.000	0.000	0.000	0.000
809	B	351	ASP	-1	-0.871	-0.925	34.274	31.911	31.911	0.000	0.000	0.000	0.000
810	B	352	ASP	-1	-0.895	-0.955	33.652	34.807	34.807	0.000	0.000	0.000	0.000
811	B	353	TYR	0	-0.008	-0.007	33.943	1.160	1.160	0.000	0.000	0.000	0.000
812	B	354	VAL	0	0.012	0.020	31.809	-0.670	-0.670	0.000	0.000	0.000	0.000
813	B	355	GLU	-1	-0.896	-0.961	32.442	34.398	34.398	0.000	0.000	0.000	0.000
814	B	356	LYS	1	0.921	0.956	30.297	-39.078	-39.078	0.000	0.000	0.000	0.000
815	B	357	ASP	-1	-0.782	-0.885	31.801	32.969	32.969	0.000	0.000	0.000	0.000
816	B	358	ARG	1	0.844	0.912	28.190	-42.151	-42.151	0.000	0.000	0.000	0.000
817	B	359	SER	0	-0.097	-0.053	31.877	0.459	0.459	0.000	0.000	0.000	0.000
818	B	360	ARG	1	0.998	1.003	32.975	-32.832	-32.832	0.000	0.000	0.000	0.000
819	B	361	GLY	0	-0.044	-0.037	28.925	0.799	0.799	0.000	0.000	0.000	0.000
820	B	362	ILE	0	-0.035	0.005	27.540	1.985	1.985	0.000	0.000	0.000	0.000
821	B	363	TYR	0	-0.039	-0.039	25.340	-0.899	-0.899	0.000	0.000	0.000	0.000
822	B	364	PHE	0	-0.051	-0.031	22.411	-0.305	-0.305	0.000	0.000	0.000	0.000
823	B	365	THR	0	0.041	0.029	27.902	-0.219	-0.219	0.000	0.000	0.000	0.000
824	B	366	GLN	0	-0.047	-0.025	26.233	2.947	2.947	0.000	0.000	0.000	0.000
825	B	367	ASP	-1	-0.854	-0.925	29.660	34.797	34.797	0.000	0.000	0.000	0.000
826	B	368	TRP	0	-0.028	-0.034	25.617	2.135	2.135	0.000	0.000	0.000	0.000
827	B	369	SMC	0	-0.049	-0.017	31.135	0.177	0.177	0.000	0.000	0.000	0.000
828	B	370	SER	0	-0.025	-0.025	33.412	-0.302	-0.302	0.000	0.000	0.000	0.000
829	B	371	MET	0	-0.066	-0.001	26.792	-0.119	-0.119	0.000	0.000	0.000	0.000
830	B	372	PRO	0	0.029	0.023	32.351	-0.292	-0.292	0.000	0.000	0.000	0.000
831	B	373	GLY	0	0.046	0.029	32.475	1.118	1.118	0.000	0.000	0.000	0.000
832	B	374	VAL	0	-0.025	-0.026	29.427	-0.552	-0.552	0.000	0.000	0.000	0.000
833	B	375	MET	0	-0.008	-0.002	32.827	-0.326	-0.326	0.000	0.000	0.000	0.000
834	B	376	PRO	0	-0.008	0.005	33.000	0.772	0.772	0.000	0.000	0.000	0.000
835	B	377	VAL	0	-0.010	-0.012	32.903	-1.142	-1.142	0.000	0.000	0.000	0.000
836	B	378	ALA	0	0.046	0.043	33.234	0.958	0.958	0.000	0.000	0.000	0.000
837	B	379	SER	0	-0.009	-0.035	33.475	-1.304	-1.304	0.000	0.000	0.000	0.000
838	B	380	GLY	0	0.066	0.031	33.687	0.871	0.871	0.000	0.000	0.000	0.000
839	B	381	GLY	0	-0.038	-0.033	35.013	0.061	0.061	0.000	0.000	0.000	0.000
840	B	382	ILE	0	-0.053	-0.012	37.766	-0.393	-0.393	0.000	0.000	0.000	0.000
841	B	383	HIS	0	0.023	-0.021	40.337	-0.534	-0.534	0.000	0.000	0.000	0.000
842	B	384	VAL	0	0.056	0.018	44.048	0.054	0.054	0.000	0.000	0.000	0.000
843	B	385	TRP	0	-0.083	-0.041	47.107	-0.338	-0.338	0.000	0.000	0.000	0.000
844	B	386	HIS	0	0.029	0.022	41.801	-0.141	-0.141	0.000	0.000	0.000	0.000
845	B	387	MET	0	-0.030	0.011	44.118	0.513	0.513	0.000	0.000	0.000	0.000
846	B	388	PRO	0	0.012	-0.006	45.548	0.180	0.180	0.000	0.000	0.000	0.000
847	B	389	ALA	0	0.031	0.019	42.860	0.105	0.105	0.000	0.000	0.000	0.000
848	B	390	LEU	0	-0.001	0.011	39.294	0.509	0.509	0.000	0.000	0.000	0.000
849	B	391	VAL	0	0.009	-0.005	41.839	0.416	0.416	0.000	0.000	0.000	0.000
850	B	392	GLU	-1	-0.897	-0.933	43.771	28.029	28.029	0.000	0.000	0.000	0.000
851	B	393	ILE	0	-0.033	-0.006	37.867	0.260	0.260	0.000	0.000	0.000	0.000
852	B	394	PHE	0	-0.028	-0.016	34.995	0.501	0.501	0.000	0.000	0.000	0.000
853	B	395	GLY	0	0.024	0.028	40.104	0.227	0.227	0.000	0.000	0.000	0.000
854	B	396	ASP	-1	-0.826	-0.917	42.821	26.049	26.049	0.000	0.000	0.000	0.000
855	B	397	ASP	-1	-0.875	-0.925	39.635	28.904	28.904	0.000	0.000	0.000	0.000
856	B	398	ALA	0	0.055	0.014	38.022	1.005	1.005	0.000	0.000	0.000	0.000
857	B	399	CYS	0	-0.069	-0.010	37.240	-0.998	-0.998	0.000	0.000	0.000	0.000
858	B	400	LEU	0	0.012	0.001	37.664	0.720	0.720	0.000	0.000	0.000	0.000
859	B	401	GLN	0	0.032	0.003	34.509	-0.852	-0.852	0.000	0.000	0.000	0.000
860	B	402	PHE	0	0.018	0.007	38.821	0.271	0.271	0.000	0.000	0.000	0.000
861	B	403	GLY	0	0.081	0.044	38.777	-0.579	-0.579	0.000	0.000	0.000	0.000
862	B	404	GLY	0	0.039	-0.011	39.351	-0.826	-0.826	0.000	0.000	0.000	0.000
863	B	405	GLY	0	-0.037	-0.016	41.264	-0.692	-0.692	0.000	0.000	0.000	0.000
864	B	406	THR	0	-0.063	-0.046	43.320	-0.830	-0.830	0.000	0.000	0.000	0.000
865	B	407	LEU	0	-0.012	-0.026	41.451	-0.666	-0.666	0.000	0.000	0.000	0.000
866	B	408	GLY	0	0.030	0.015	44.825	-0.213	-0.213	0.000	0.000	0.000	0.000
867	B	409	HIS	0	-0.044	-0.002	45.852	-0.317	-0.317	0.000	0.000	0.000	0.000
868	B	410	PRO	0	-0.003	-0.016	49.129	-0.051	-0.051	0.000	0.000	0.000	0.000
869	B	411	TRP	0	-0.037	-0.043	52.091	-0.336	-0.336	0.000	0.000	0.000	0.000
870	B	412	GLY	0	0.035	0.036	50.257	-0.252	-0.252	0.000	0.000	0.000	0.000
871	B	413	ASN	0	0.026	0.001	45.694	-0.048	-0.048	0.000	0.000	0.000	0.000
872	B	414	ALA	0	0.046	0.048	48.763	0.154	0.154	0.000	0.000	0.000	0.000
873	B	415	PRO	0	-0.008	-0.022	51.348	-0.011	-0.011	0.000	0.000	0.000	0.000
874	B	416	GLY	0	0.052	0.015	48.606	-0.015	-0.015	0.000	0.000	0.000	0.000
875	B	417	ALA	0	-0.027	-0.007	47.513	0.260	0.260	0.000	0.000	0.000	0.000
876	B	418	ALA	0	0.018	0.022	48.491	0.086	0.086	0.000	0.000	0.000	0.000
877	B	419	ALA	0	-0.046	-0.015	50.182	-0.112	-0.112	0.000	0.000	0.000	0.000
878	B	420	ASN	0	-0.001	-0.006	45.606	-0.046	-0.046	0.000	0.000	0.000	0.000
879	B	421	ARG	1	0.750	0.852	48.110	-23.818	-23.818	0.000	0.000	0.000	0.000
880	B	422	VAL	0	-0.018	-0.010	49.638	-0.167	-0.167	0.000	0.000	0.000	0.000
881	B	423	ALA	0	-0.024	-0.010	48.987	-0.169	-0.169	0.000	0.000	0.000	0.000
882	B	424	LEU	0	0.033	0.011	45.558	-0.046	-0.046	0.000	0.000	0.000	0.000
883	B	425	GLU	-1	-0.741	-0.867	48.773	22.933	22.933	0.000	0.000	0.000	0.000
884	B	426	ALA	0	0.008	0.006	51.908	-0.284	-0.284	0.000	0.000	0.000	0.000
885	B	427	CYS	0	-0.049	-0.026	49.321	-0.186	-0.186	0.000	0.000	0.000	0.000
886	B	428	THR	0	0.003	-0.006	49.312	0.156	0.156	0.000	0.000	0.000	0.000
887	B	429	GLN	0	-0.015	-0.007	51.023	-0.388	-0.388	0.000	0.000	0.000	0.000
888	B	430	ALA	0	-0.024	-0.014	53.615	-0.204	-0.204	0.000	0.000	0.000	0.000
889	B	431	ARG	1	0.823	0.895	47.166	-25.270	-25.270	0.000	0.000	0.000	0.000
890	B	432	ASN	0	-0.011	-0.015	52.270	0.363	0.363	0.000	0.000	0.000	0.000
891	B	433	GLU	-1	-0.952	-0.982	54.436	20.653	20.653	0.000	0.000	0.000	0.000
892	B	434	GLY	0	-0.026	-0.002	55.687	-0.363	-0.363	0.000	0.000	0.000	0.000
893	B	435	ARG	1	0.846	0.940	55.068	-21.305	-21.305	0.000	0.000	0.000	0.000
894	B	436	ASP	-1	-0.809	-0.910	50.991	24.642	24.642	0.000	0.000	0.000	0.000
895	B	437	LEU	0	-0.015	-0.017	48.115	-0.137	-0.137	0.000	0.000	0.000	0.000
896	B	438	ALA	0	0.010	0.007	47.571	0.109	0.109	0.000	0.000	0.000	0.000
897	B	439	ARG	1	0.841	0.929	48.905	-23.956	-23.956	0.000	0.000	0.000	0.000
898	B	440	GLU	-1	-0.831	-0.931	52.417	21.488	21.488	0.000	0.000	0.000	0.000
899	B	441	GLY	0	0.050	0.028	50.683	-0.259	-0.259	0.000	0.000	0.000	0.000
900	B	442	GLY	0	-0.004	-0.015	51.736	-0.093	-0.093	0.000	0.000	0.000	0.000
901	B	443	ASP	-1	-0.841	-0.921	53.133	21.065	21.065	0.000	0.000	0.000	0.000
902	B	444	VAL	0	-0.050	-0.011	53.393	-0.406	-0.406	0.000	0.000	0.000	0.000
903	B	445	ILE	0	0.032	0.016	50.237	-0.274	-0.274	0.000	0.000	0.000	0.000
904	B	446	ARG	1	0.906	0.928	54.017	-22.176	-22.176	0.000	0.000	0.000	0.000
905	B	447	SER	0	-0.064	-0.036	57.136	-0.505	-0.505	0.000	0.000	0.000	0.000
906	B	448	ALA	0	0.007	0.007	55.523	-0.336	-0.336	0.000	0.000	0.000	0.000
907	B	449	CYS	0	-0.014	-0.007	55.547	-0.068	-0.068	0.000	0.000	0.000	0.000
908	B	450	LYS	1	0.890	0.956	58.046	-19.877	-19.877	0.000	0.000	0.000	0.000
909	B	451	TRP	0	0.007	0.008	56.777	-0.353	-0.353	0.000	0.000	0.000	0.000
910	B	452	SER	0	0.001	0.021	56.401	0.105	0.105	0.000	0.000	0.000	0.000
911	B	453	PRO	0	0.037	0.010	57.728	0.211	0.211	0.000	0.000	0.000	0.000
912	B	454	GLU	-1	-0.797	-0.904	53.979	21.202	21.202	0.000	0.000	0.000	0.000
913	B	455	LEU	0	0.030	0.012	51.674	0.399	0.399	0.000	0.000	0.000	0.000
914	B	456	ALA	0	0.002	-0.004	53.633	0.267	0.267	0.000	0.000	0.000	0.000
915	B	457	ALA	0	-0.008	-0.005	54.786	0.124	0.124	0.000	0.000	0.000	0.000
916	B	458	ALA	0	-0.005	-0.003	49.633	0.267	0.267	0.000	0.000	0.000	0.000
917	B	459	CYS	0	-0.065	-0.041	50.498	0.402	0.402	0.000	0.000	0.000	0.000
918	B	460	GLU	-1	-0.926	-0.960	51.986	21.805	21.805	0.000	0.000	0.000	0.000
919	B	461	VAL	0	-0.064	-0.014	48.640	0.093	0.093	0.000	0.000	0.000	0.000
920	B	462	TRP	0	-0.021	-0.026	45.299	0.210	0.210	0.000	0.000	0.000	0.000
921	B	463	LYS	1	0.936	0.983	47.739	-21.600	-21.600	0.000	0.000	0.000	0.000
922	B	464	GLU	-1	-0.933	-0.975	48.806	23.475	23.475	0.000	0.000	0.000	0.000
923	B	465	ILE	0	-0.067	-0.009	42.739	0.425	0.425	0.000	0.000	0.000	0.000
924	B	466	LYS	1	0.978	0.986	42.686	-25.900	-25.900	0.000	0.000	0.000	0.000
925	B	467	PHE	0	0.004	0.002	37.090	0.263	0.263	0.000	0.000	0.000	0.000
926	B	468	GLU	-1	-0.955	-0.975	38.305	28.436	28.436	0.000	0.000	0.000	0.000
927	B	469	PHE	0	0.032	0.004	34.499	-0.171	-0.171	0.000	0.000	0.000	0.000
928	B	470	ASP	-1	-0.842	-0.918	32.607	35.959	35.959	0.000	0.000	0.000	0.000
929	B	471	THR	0	-0.037	-0.008	30.392	0.428	0.428	0.000	0.000	0.000	0.000
930	B	472	ILE	0	-0.017	-0.013	25.439	-0.220	-0.220	0.000	0.000	0.000	0.000
931	B	473	ASP	-1	-0.802	-0.895	25.498	46.183	46.183	0.000	0.000	0.000	0.000
932	B	474	LYS	1	0.828	0.924	27.070	-37.817	-37.817	0.000	0.000	0.000	0.000
933	B	475	LEU	0	0.027	0.022	28.071	1.576	1.576	0.000	0.000	0.000	0.000
934	C	1	MET	0	0.012	0.011	55.716	0.099	0.099	0.000	0.000	0.000	0.000
935	C	2	MET	0	-0.079	-0.034	58.636	-0.437	-0.437	0.000	0.000	0.000	0.000
936	C	3	VAL	0	0.026	-0.002	57.803	0.405	0.405	0.000	0.000	0.000	0.000
937	C	4	TRP	0	0.052	0.029	55.454	-0.417	-0.417	0.000	0.000	0.000	0.000
938	C	5	THR	0	-0.016	-0.016	57.624	0.112	0.112	0.000	0.000	0.000	0.000
939	C	6	PRO	0	0.023	0.019	57.314	0.167	0.167	0.000	0.000	0.000	0.000
940	C	7	VAL	0	-0.044	-0.004	58.681	0.044	0.044	0.000	0.000	0.000	0.000
941	C	8	ASN	0	-0.059	0.015	62.129	-0.205	-0.205	0.000	0.000	0.000	0.000
942	C	9	ASN	0	-0.001	-0.040	58.535	-0.444	-0.444	0.000	0.000	0.000	0.000
943	C	10	LYS	1	0.930	0.990	57.834	-20.427	-20.427	0.000	0.000	0.000	0.000
944	C	11	MET	0	-0.068	-0.021	54.867	-0.356	-0.356	0.000	0.000	0.000	0.000
945	C	12	PHE	0	-0.038	-0.053	56.141	-0.140	-0.140	0.000	0.000	0.000	0.000
946	C	13	GLU	-1	-0.773	-0.867	49.982	24.511	24.511	0.000	0.000	0.000	0.000
947	C	14	THR	0	-0.050	-0.048	50.892	-0.145	-0.145	0.000	0.000	0.000	0.000
948	C	15	PHE	0	-0.001	-0.006	52.992	-0.362	-0.362	0.000	0.000	0.000	0.000
949	C	16	SER	0	-0.068	-0.009	54.987	-0.463	-0.463	0.000	0.000	0.000	0.000
950	C	17	TYR	0	0.039	0.001	52.892	-0.306	-0.306	0.000	0.000	0.000	0.000
951	C	18	LEU	0	-0.036	-0.009	55.213	-0.126	-0.126	0.000	0.000	0.000	0.000
952	C	19	PRO	0	-0.049	-0.032	58.241	-0.209	-0.209	0.000	0.000	0.000	0.000
953	C	20	PRO	0	-0.035	-0.022	61.648	0.137	0.137	0.000	0.000	0.000	0.000
954	C	21	LEU	0	0.035	0.032	59.339	-0.134	-0.134	0.000	0.000	0.000	0.000
955	C	22	THR	0	-0.004	-0.004	63.436	-0.224	-0.224	0.000	0.000	0.000	0.000
956	C	23	ASP	-1	-0.870	-0.946	65.550	18.094	18.094	0.000	0.000	0.000	0.000
957	C	24	GLU	-1	-0.982	-0.991	65.971	18.582	18.582	0.000	0.000	0.000	0.000
958	C	25	GLN	0	0.071	0.038	61.920	0.031	0.031	0.000	0.000	0.000	0.000
959	C	26	ILE	0	-0.015	-0.008	61.694	0.388	0.388	0.000	0.000	0.000	0.000
960	C	27	ALA	0	-0.015	-0.019	62.351	0.257	0.257	0.000	0.000	0.000	0.000
961	C	28	ALA	0	0.074	0.046	60.845	0.161	0.161	0.000	0.000	0.000	0.000
962	C	29	GLN	0	0.020	0.015	56.327	0.745	0.745	0.000	0.000	0.000	0.000
963	C	30	VAL	0	-0.053	-0.031	58.263	0.307	0.307	0.000	0.000	0.000	0.000
964	C	31	ASP	-1	-0.893	-0.953	59.975	19.918	19.918	0.000	0.000	0.000	0.000
965	C	32	TYR	0	-0.006	0.009	50.388	0.328	0.328	0.000	0.000	0.000	0.000
966	C	33	ILE	0	-0.028	-0.016	55.409	0.371	0.371	0.000	0.000	0.000	0.000
967	C	34	VAL	0	-0.030	-0.020	55.988	0.213	0.213	0.000	0.000	0.000	0.000
968	C	35	ALA	0	-0.051	-0.020	56.324	0.092	0.092	0.000	0.000	0.000	0.000
969	C	36	ASN	0	-0.059	-0.034	51.430	0.552	0.552	0.000	0.000	0.000	0.000
970	C	37	GLY	0	-0.057	-0.006	52.522	0.347	0.347	0.000	0.000	0.000	0.000
971	C	38	TRP	0	-0.011	0.000	49.007	-0.031	-0.031	0.000	0.000	0.000	0.000
972	C	39	ILE	0	-0.044	-0.030	53.054	-0.505	-0.505	0.000	0.000	0.000	0.000
973	C	40	PRO	0	0.025	0.026	55.938	0.185	0.185	0.000	0.000	0.000	0.000
974	C	41	CYS	0	-0.014	-0.004	57.507	-0.187	-0.187	0.000	0.000	0.000	0.000
975	C	42	LEU	0	-0.001	0.019	59.351	0.050	0.050	0.000	0.000	0.000	0.000
976	C	43	GLU	-1	-0.843	-0.918	56.347	22.070	22.070	0.000	0.000	0.000	0.000
977	C	44	PHE	0	-0.021	-0.026	60.806	-0.137	-0.137	0.000	0.000	0.000	0.000
978	C	45	ALA	0	0.056	0.028	61.321	0.153	0.153	0.000	0.000	0.000	0.000
979	C	46	GLU	-1	-0.911	-0.953	63.460	18.382	18.382	0.000	0.000	0.000	0.000
980	C	47	ALA	0	0.018	-0.016	64.174	0.292	0.292	0.000	0.000	0.000	0.000
981	C	48	ASP	-1	-0.907	-0.950	63.563	18.915	18.915	0.000	0.000	0.000	0.000
982	C	49	LYS	1	0.875	0.942	61.112	-19.704	-19.704	0.000	0.000	0.000	0.000
983	C	50	ALA	0	-0.026	0.009	59.977	0.301	0.301	0.000	0.000	0.000	0.000
984	C	51	TYR	0	0.002	-0.012	56.877	0.365	0.365	0.000	0.000	0.000	0.000
985	C	52	VAL	0	-0.003	0.008	51.248	-0.093	-0.093	0.000	0.000	0.000	0.000
986	C	53	SER	0	-0.088	-0.106	54.604	-0.158	-0.158	0.000	0.000	0.000	0.000
987	C	54	ASN	0	0.038	0.002	51.807	0.641	0.641	0.000	0.000	0.000	0.000
988	C	55	GLU	-1	-0.828	-0.844	54.145	21.408	21.408	0.000	0.000	0.000	0.000
989	C	56	SER	0	-0.027	-0.049	54.425	-0.234	-0.234	0.000	0.000	0.000	0.000
990	C	57	ALA	0	-0.001	0.002	51.194	0.131	0.131	0.000	0.000	0.000	0.000
991	C	58	ILE	0	-0.046	-0.014	52.650	0.186	0.186	0.000	0.000	0.000	0.000
992	C	59	ARG	1	0.880	0.930	54.435	-21.714	-21.714	0.000	0.000	0.000	0.000
993	C	60	PHE	0	-0.052	-0.002	48.920	0.173	0.173	0.000	0.000	0.000	0.000
994	C	61	GLY	0	0.048	0.030	47.535	-0.184	-0.184	0.000	0.000	0.000	0.000
995	C	62	SER	0	0.006	-0.008	43.584	-0.361	-0.361	0.000	0.000	0.000	0.000
996	C	63	VAL	0	-0.029	-0.036	43.021	0.763	0.763	0.000	0.000	0.000	0.000
997	C	64	SER	0	0.038	0.019	44.840	-0.054	-0.054	0.000	0.000	0.000	0.000
998	C	65	CYS	0	-0.026	0.024	41.255	-0.201	-0.201	0.000	0.000	0.000	0.000
999	C	66	LEU	0	-0.033	-0.005	40.526	-0.042	-0.042	0.000	0.000	0.000	0.000
1000	C	67	TYR	0	-0.095	-0.048	44.645	-0.104	-0.104	0.000	0.000	0.000	0.000
1001	C	68	TYR	0	0.033	-0.005	45.960	0.082	0.082	0.000	0.000	0.000	0.000
1002	C	69	ASP	-1	-0.773	-0.847	51.057	22.461	22.461	0.000	0.000	0.000	0.000
1003	C	70	ASN	0	-0.006	-0.026	54.615	-0.015	-0.015	0.000	0.000	0.000	0.000
1004	C	71	ARG	1	0.863	0.942	46.977	-25.220	-25.220	0.000	0.000	0.000	0.000
1005	C	72	TYR	0	0.007	0.006	50.664	-0.035	-0.035	0.000	0.000	0.000	0.000
1006	C	73	TRP	0	-0.032	-0.010	55.385	-0.388	-0.388	0.000	0.000	0.000	0.000
1007	C	74	THR	0	-0.032	-0.011	58.752	0.115	0.115	0.000	0.000	0.000	0.000
1008	C	75	MET	0	0.036	0.028	57.526	-0.093	-0.093	0.000	0.000	0.000	0.000
1009	C	76	TRP	0	-0.042	-0.034	61.261	-0.459	-0.459	0.000	0.000	0.000	0.000
1010	C	77	LYS	1	0.783	0.889	63.510	-18.005	-18.005	0.000	0.000	0.000	0.000
1011	C	78	LEU	0	0.038	0.009	60.536	0.188	0.188	0.000	0.000	0.000	0.000
1012	C	79	PRO	0	0.029	0.005	57.017	-0.176	-0.176	0.000	0.000	0.000	0.000
1013	C	80	MET	0	-0.028	-0.006	59.409	-0.151	-0.151	0.000	0.000	0.000	0.000
1014	C	81	PHE	0	0.034	-0.002	55.268	0.131	0.131	0.000	0.000	0.000	0.000
1015	C	82	GLY	0	-0.007	-0.002	58.598	-0.319	-0.319	0.000	0.000	0.000	0.000
1016	C	83	CYS	0	-0.085	-0.023	60.333	-0.337	-0.337	0.000	0.000	0.000	0.000
1017	C	84	ARG	1	0.989	0.986	58.183	-20.745	-20.745	0.000	0.000	0.000	0.000
1018	C	85	ASP	-1	-0.868	-0.945	62.221	18.321	18.321	0.000	0.000	0.000	0.000
1019	C	86	PRO	0	0.124	0.051	63.341	-0.040	-0.040	0.000	0.000	0.000	0.000
1020	C	87	MET	0	0.017	0.003	64.744	-0.078	-0.078	0.000	0.000	0.000	0.000
1021	C	88	GLN	0	-0.048	-0.029	66.041	-0.147	-0.147	0.000	0.000	0.000	0.000
1022	C	89	VAL	0	0.034	0.024	62.001	-0.100	-0.100	0.000	0.000	0.000	0.000
1023	C	90	LEU	0	0.030	0.012	65.087	-0.097	-0.097	0.000	0.000	0.000	0.000
1024	C	91	ARG	1	0.919	0.954	67.511	-17.892	-17.892	0.000	0.000	0.000	0.000
1025	C	92	GLU	-1	-0.788	-0.880	66.107	18.063	18.063	0.000	0.000	0.000	0.000
1026	C	93	ILE	0	0.024	0.023	63.780	-0.051	-0.051	0.000	0.000	0.000	0.000
1027	C	94	VAL	0	-0.004	0.014	67.351	-0.158	-0.158	0.000	0.000	0.000	0.000
1028	C	95	ALA	0	-0.041	-0.026	70.430	-0.208	-0.208	0.000	0.000	0.000	0.000
1029	C	96	CYS	0	-0.039	-0.006	66.608	-0.079	-0.079	0.000	0.000	0.000	0.000
1030	C	97	THR	0	0.023	-0.014	68.105	-0.169	-0.169	0.000	0.000	0.000	0.000
1031	C	98	LYS	1	0.911	0.964	70.277	-16.360	-16.360	0.000	0.000	0.000	0.000
1032	C	99	ALA	0	-0.062	-0.028	71.395	-0.232	-0.232	0.000	0.000	0.000	0.000
1033	C	100	PHE	0	-0.017	-0.009	69.167	-0.097	-0.097	0.000	0.000	0.000	0.000
1034	C	101	PRO	0	0.020	0.018	70.236	0.225	0.225	0.000	0.000	0.000	0.000
1035	C	102	ASP	-1	-0.973	-0.989	71.299	16.947	16.947	0.000	0.000	0.000	0.000
1036	C	103	ALA	0	-0.043	-0.013	66.514	0.151	0.151	0.000	0.000	0.000	0.000
1037	C	104	TYR	0	0.028	0.000	62.451	-0.163	-0.163	0.000	0.000	0.000	0.000
1038	C	105	VAL	0	-0.008	-0.006	63.324	0.041	0.041	0.000	0.000	0.000	0.000
1039	C	106	ARG	1	0.847	0.925	55.538	-21.995	-21.995	0.000	0.000	0.000	0.000
1040	C	107	LEU	0	0.000	0.011	58.880	-0.166	-0.166	0.000	0.000	0.000	0.000
1041	C	108	VAL	0	0.020	0.011	54.512	0.273	0.273	0.000	0.000	0.000	0.000
1042	C	109	ALA	0	0.030	-0.001	53.907	-0.369	-0.369	0.000	0.000	0.000	0.000
1043	C	110	PHE	0	-0.027	-0.011	51.126	0.443	0.443	0.000	0.000	0.000	0.000
1044	C	111	ASP	-1	-0.764	-0.874	47.185	25.727	25.727	0.000	0.000	0.000	0.000
1045	C	112	ASN	0	-0.019	-0.041	48.249	0.284	0.284	0.000	0.000	0.000	0.000
1046	C	113	GLN	0	-0.039	-0.005	44.860	-0.217	-0.217	0.000	0.000	0.000	0.000
1047	C	114	LYS	1	0.902	0.949	42.115	-27.754	-27.754	0.000	0.000	0.000	0.000
1048	C	115	GLN	0	-0.071	-0.025	43.625	-0.188	-0.188	0.000	0.000	0.000	0.000
1049	C	116	VAL	0	0.047	0.026	44.533	0.320	0.320	0.000	0.000	0.000	0.000
1050	C	117	GLN	0	-0.010	-0.005	46.910	-0.512	-0.512	0.000	0.000	0.000	0.000
1051	C	118	ILE	0	-0.019	-0.012	46.518	0.545	0.545	0.000	0.000	0.000	0.000
1052	C	119	MET	0	-0.004	-0.014	49.262	-0.016	-0.016	0.000	0.000	0.000	0.000
1053	C	120	GLY	0	0.073	0.022	52.085	-0.120	-0.120	0.000	0.000	0.000	0.000
1054	C	121	PHE	0	-0.020	0.003	54.495	0.154	0.154	0.000	0.000	0.000	0.000
1055	C	122	LEU	0	-0.053	-0.023	57.139	-0.269	-0.269	0.000	0.000	0.000	0.000
1056	C	123	VAL	0	-0.012	-0.012	60.214	-0.080	-0.080	0.000	0.000	0.000	0.000
1057	C	124	GLN	0	-0.039	-0.020	63.572	-0.510	-0.510	0.000	0.000	0.000	0.000
1058	C	125	ARG	1	0.949	0.985	61.657	-19.237	-19.237	0.000	0.000	0.000	0.000
1059	C	126	PRO	0	0.050	0.044	66.070	-0.278	-0.278	0.000	0.000	0.000	0.000
1060	C	127	LYS	1	0.993	0.974	69.206	-16.551	-16.551	0.000	0.000	0.000	0.000
1061	C	128	SER	0	-0.040	-0.015	71.484	-0.025	-0.025	0.000	0.000	0.000	0.000
1062	C	129	ALA	0	0.013	0.018	66.254	-0.005	-0.005	0.000	0.000	0.000	0.000
1063	C	130	ARG	1	0.933	0.952	67.776	-17.307	-17.307	0.000	0.000	0.000	0.000
1064	C	131	ASP	-1	-0.918	-0.990	63.042	19.464	19.464	0.000	0.000	0.000	0.000
1065	C	132	TRP	0	0.041	0.020	62.369	0.421	0.421	0.000	0.000	0.000	0.000
1066	C	133	GLN	0	0.003	-0.008	62.375	-0.538	-0.538	0.000	0.000	0.000	0.000
1067	C	134	PRO	0	-0.006	0.002	63.288	0.201	0.201	0.000	0.000	0.000	0.000
1068	C	135	ALA	0	0.081	0.024	61.909	0.102	0.102	0.000	0.000	0.000	0.000
1069	C	136	ASN	0	-0.042	-0.024	62.195	0.240	0.240	0.000	0.000	0.000	0.000
1070	C	137	LYS	1	0.931	0.966	64.534	-18.085	-18.085	0.000	0.000	0.000	0.000
1071	C	138	ARG	1	0.857	0.956	58.459	-20.680	-20.680	0.000	0.000	0.000	0.000
1072	C	139	SER	0	-0.018	-0.008	59.038	0.169	0.169	0.000	0.000	0.000	0.000
1073	C	140	VAL	0	-0.037	0.004	60.949	-0.407	-0.407	0.000	0.000	0.000	0.000
1074	I	1	MET	0	-0.004	0.002	18.772	0.601	0.601	0.000	0.000	0.000	0.000
1075	I	2	MET	0	-0.077	-0.029	20.991	-2.113	-2.113	0.000	0.000	0.000	0.000
1076	I	3	VAL	0	0.024	-0.004	20.597	2.462	2.462	0.000	0.000	0.000	0.000
1077	I	4	TRP	0	0.053	0.033	19.281	-1.885	-1.885	0.000	0.000	0.000	0.000
1078	I	5	THR	0	-0.011	-0.014	21.402	-0.194	-0.194	0.000	0.000	0.000	0.000
1079	I	6	PRO	0	0.020	0.016	23.552	0.833	0.833	0.000	0.000	0.000	0.000
1080	I	7	VAL	0	-0.034	-0.001	24.626	-0.746	-0.746	0.000	0.000	0.000	0.000
1081	I	8	ASN	0	-0.062	0.014	27.879	-0.078	-0.078	0.000	0.000	0.000	0.000
1082	I	9	ASN	0	-0.006	-0.043	23.225	-1.939	-1.939	0.000	0.000	0.000	0.000
1083	I	10	LYS	1	0.928	0.990	24.412	-40.129	-40.129	0.000	0.000	0.000	0.000
1084	I	11	MET	0	-0.077	-0.027	21.296	-0.990	-0.990	0.000	0.000	0.000	0.000
1085	I	12	PHE	0	-0.033	-0.051	24.011	-1.410	-1.410	0.000	0.000	0.000	0.000
1086	I	13	GLU	-1	-0.764	-0.863	20.542	56.707	56.707	0.000	0.000	0.000	0.000
1087	I	14	THR	0	-0.042	-0.030	21.420	1.140	1.140	0.000	0.000	0.000	0.000
1088	I	15	PHE	0	-0.003	-0.003	21.685	-2.247	-2.247	0.000	0.000	0.000	0.000
1089	I	16	SER	0	-0.066	-0.030	22.790	-1.256	-1.256	0.000	0.000	0.000	0.000
1090	I	17	TYR	0	0.025	-0.007	18.454	-0.238	-0.238	0.000	0.000	0.000	0.000
1091	I	18	LEU	0	-0.030	-0.008	21.360	0.640	0.640	0.000	0.000	0.000	0.000
1092	I	19	PRO	0	-0.056	-0.036	23.727	-1.128	-1.128	0.000	0.000	0.000	0.000
1093	I	20	PRO	0	-0.033	-0.024	27.220	0.299	0.299	0.000	0.000	0.000	0.000
1094	I	21	LEU	0	0.022	0.031	27.199	-0.468	-0.468	0.000	0.000	0.000	0.000
1095	I	22	THR	0	-0.009	-0.009	30.786	-1.444	-1.444	0.000	0.000	0.000	0.000
1096	I	23	ASP	-1	-0.869	-0.951	33.921	32.449	32.449	0.000	0.000	0.000	0.000
1097	I	24	GLU	-1	-0.977	-0.984	35.225	33.905	33.905	0.000	0.000	0.000	0.000
1098	I	25	GLN	0	0.061	0.035	29.044	-0.315	-0.315	0.000	0.000	0.000	0.000
1099	I	26	ILE	0	-0.002	-0.005	31.565	0.956	0.956	0.000	0.000	0.000	0.000
1100	I	27	ALA	0	-0.014	-0.014	33.235	0.300	0.300	0.000	0.000	0.000	0.000
1101	I	28	ALA	0	0.065	0.044	31.679	-0.014	-0.014	0.000	0.000	0.000	0.000
1102	I	29	GLN	0	0.032	0.018	27.034	1.542	1.542	0.000	0.000	0.000	0.000
1103	I	30	VAL	0	-0.049	-0.029	31.016	0.252	0.252	0.000	0.000	0.000	0.000
1104	I	31	ASP	-1	-0.900	-0.959	34.259	34.068	34.068	0.000	0.000	0.000	0.000
1105	I	32	TYR	0	-0.010	0.008	24.458	0.026	0.026	0.000	0.000	0.000	0.000
1106	I	33	ILE	0	-0.014	-0.011	30.944	0.336	0.336	0.000	0.000	0.000	0.000
1107	I	34	VAL	0	-0.042	-0.021	31.953	-0.291	-0.291	0.000	0.000	0.000	0.000
1108	I	35	ALA	0	-0.045	-0.018	32.108	-0.498	-0.498	0.000	0.000	0.000	0.000
1109	I	36	ASN	0	-0.061	-0.034	28.302	0.418	0.418	0.000	0.000	0.000	0.000
1110	I	37	GLY	0	-0.050	-0.002	31.035	0.144	0.144	0.000	0.000	0.000	0.000
1111	I	38	TRP	0	-0.016	-0.004	25.766	-0.151	-0.151	0.000	0.000	0.000	0.000
1112	I	39	ILE	0	-0.037	-0.026	32.063	-1.290	-1.290	0.000	0.000	0.000	0.000
1113	I	40	PRO	0	0.025	0.028	33.449	0.852	0.852	0.000	0.000	0.000	0.000
1114	I	41	CYS	0	-0.018	-0.005	34.524	-1.374	-1.374	0.000	0.000	0.000	0.000
1115	I	42	LEU	0	0.011	0.022	34.976	0.795	0.795	0.000	0.000	0.000	0.000
1116	I	43	GLU	-1	-0.856	-0.919	32.479	37.787	37.787	0.000	0.000	0.000	0.000
1117	I	44	PHE	0	-0.011	-0.023	35.576	0.274	0.274	0.000	0.000	0.000	0.000
1118	I	45	ALA	0	0.040	0.024	35.037	-0.140	-0.140	0.000	0.000	0.000	0.000
1119	I	46	GLU	-1	-0.910	-0.949	37.129	29.872	29.872	0.000	0.000	0.000	0.000
1120	I	47	ALA	0	0.011	-0.020	36.048	0.809	0.809	0.000	0.000	0.000	0.000
1121	I	48	ASP	-1	-0.904	-0.948	35.340	32.175	32.175	0.000	0.000	0.000	0.000
1122	I	49	LYS	1	0.867	0.935	35.229	-31.867	-31.867	0.000	0.000	0.000	0.000
1123	I	50	ALA	0	-0.022	0.007	32.392	0.661	0.661	0.000	0.000	0.000	0.000
1124	I	51	TYR	0	0.006	-0.008	27.598	1.517	1.517	0.000	0.000	0.000	0.000
1125	I	52	VAL	0	-0.002	0.012	24.765	-1.032	-1.032	0.000	0.000	0.000	0.000
1126	I	53	SER	0	-0.071	-0.079	28.165	0.190	0.190	0.000	0.000	0.000	0.000
1127	I	54	ASN	0	0.031	-0.003	26.877	1.359	1.359	0.000	0.000	0.000	0.000
1128	I	55	GLU	-1	-0.842	-0.871	30.310	35.215	35.215	0.000	0.000	0.000	0.000
1129	I	56	SER	0	-0.026	-0.047	33.533	-1.283	-1.283	0.000	0.000	0.000	0.000
1130	I	57	ALA	0	0.006	0.002	30.512	-0.535	-0.535	0.000	0.000	0.000	0.000
1131	I	58	ILE	0	-0.051	-0.015	32.571	-0.236	-0.236	0.000	0.000	0.000	0.000
1132	I	59	ARG	1	0.884	0.936	35.611	-30.917	-30.917	0.000	0.000	0.000	0.000
1133	I	60	PHE	0	-0.048	0.001	30.319	-0.376	-0.376	0.000	0.000	0.000	0.000
1134	I	61	GLY	0	0.043	0.027	33.181	-0.482	-0.482	0.000	0.000	0.000	0.000
1135	I	62	SER	0	0.006	-0.009	28.109	0.171	0.171	0.000	0.000	0.000	0.000
1136	I	63	VAL	0	-0.027	-0.032	27.654	1.112	1.112	0.000	0.000	0.000	0.000
1137	I	64	SER	0	0.041	0.020	26.081	-0.071	-0.071	0.000	0.000	0.000	0.000
1138	I	65	CYS	0	-0.029	0.021	21.355	0.293	0.293	0.000	0.000	0.000	0.000
1139	I	66	LEU	0	-0.032	-0.004	19.401	-0.681	-0.681	0.000	0.000	0.000	0.000
1140	I	67	TYR	0	-0.097	-0.048	23.378	-0.972	-0.972	0.000	0.000	0.000	0.000
1141	I	68	TYR	0	0.035	-0.007	21.525	1.108	1.108	0.000	0.000	0.000	0.000
1142	I	69	ASP	-1	-0.773	-0.847	27.999	35.950	35.950	0.000	0.000	0.000	0.000
1143	I	70	ASN	0	-0.013	-0.033	29.978	0.274	0.274	0.000	0.000	0.000	0.000
1144	I	71	ARG	1	0.869	0.944	25.161	-44.357	-44.357	0.000	0.000	0.000	0.000
1145	I	72	TYR	0	0.000	0.005	29.546	0.060	0.060	0.000	0.000	0.000	0.000
1146	I	73	TRP	0	-0.034	-0.014	31.147	-0.399	-0.399	0.000	0.000	0.000	0.000
1147	I	74	THR	0	-0.032	-0.013	35.037	-0.512	-0.512	0.000	0.000	0.000	0.000
1148	I	75	MET	0	0.043	0.033	36.820	0.061	0.061	0.000	0.000	0.000	0.000
1149	I	76	TRP	0	-0.038	-0.033	39.084	-1.194	-1.194	0.000	0.000	0.000	0.000
1150	I	77	LYS	1	0.781	0.887	41.038	-27.402	-27.402	0.000	0.000	0.000	0.000
1151	I	78	LEU	0	0.031	0.006	40.795	0.078	0.078	0.000	0.000	0.000	0.000
1152	I	79	PRO	0	0.034	0.001	36.248	0.028	0.028	0.000	0.000	0.000	0.000
1153	I	80	MET	0	-0.035	-0.008	38.061	-0.675	-0.675	0.000	0.000	0.000	0.000
1154	I	81	PHE	0	0.036	-0.004	36.359	0.396	0.396	0.000	0.000	0.000	0.000
1155	I	82	GLY	0	-0.007	0.000	38.844	-0.794	-0.794	0.000	0.000	0.000	0.000
1156	I	83	CYS	0	-0.086	-0.020	39.052	-0.614	-0.614	0.000	0.000	0.000	0.000
1157	I	84	ARG	1	0.989	0.982	38.636	-30.199	-30.199	0.000	0.000	0.000	0.000
1158	I	85	ASP	-1	-0.864	-0.944	40.315	28.493	28.493	0.000	0.000	0.000	0.000
1159	I	86	PRO	0	0.125	0.059	38.479	-0.137	-0.137	0.000	0.000	0.000	0.000
1160	I	87	MET	0	0.009	0.000	39.948	0.186	0.186	0.000	0.000	0.000	0.000
1161	I	88	GLN	0	-0.046	-0.034	42.588	-0.320	-0.320	0.000	0.000	0.000	0.000
1162	I	89	VAL	0	0.038	0.025	36.703	-0.248	-0.248	0.000	0.000	0.000	0.000
1163	I	90	LEU	0	0.026	0.010	37.655	-0.077	-0.077	0.000	0.000	0.000	0.000
1164	I	91	ARG	1	0.917	0.956	40.628	-27.687	-27.687	0.000	0.000	0.000	0.000
1165	I	92	GLU	-1	-0.786	-0.877	41.323	27.787	27.787	0.000	0.000	0.000	0.000
1166	I	93	ILE	0	0.038	0.030	36.447	-0.068	-0.068	0.000	0.000	0.000	0.000
1167	I	94	VAL	0	-0.014	0.010	40.174	-0.276	-0.276	0.000	0.000	0.000	0.000
1168	I	95	ALA	0	-0.049	-0.033	43.261	-0.463	-0.463	0.000	0.000	0.000	0.000
1169	I	96	CYS	0	-0.029	-0.002	40.453	-0.181	-0.181	0.000	0.000	0.000	0.000
1170	I	97	THR	0	0.023	-0.015	39.255	-0.419	-0.419	0.000	0.000	0.000	0.000
1171	I	98	LYS	1	0.912	0.967	41.976	-25.382	-25.382	0.000	0.000	0.000	0.000
1172	I	99	ALA	0	-0.054	-0.026	45.421	-0.539	-0.539	0.000	0.000	0.000	0.000
1173	I	100	PHE	0	-0.022	-0.010	42.073	-0.383	-0.383	0.000	0.000	0.000	0.000
1174	I	101	PRO	0	0.020	0.017	41.787	0.803	0.803	0.000	0.000	0.000	0.000
1175	I	102	ASP	-1	-0.977	-0.990	41.482	28.277	28.277	0.000	0.000	0.000	0.000
1176	I	103	ALA	0	-0.036	-0.008	38.918	0.417	0.417	0.000	0.000	0.000	0.000
1177	I	104	TYR	0	0.016	-0.006	32.042	0.309	0.309	0.000	0.000	0.000	0.000
1178	I	105	VAL	0	0.009	-0.001	34.937	-0.394	-0.394	0.000	0.000	0.000	0.000
1179	I	106	ARG	1	0.855	0.932	29.416	-39.590	-39.590	0.000	0.000	0.000	0.000
1180	I	107	LEU	0	-0.007	0.007	31.953	-1.241	-1.241	0.000	0.000	0.000	0.000
1181	I	108	VAL	0	0.026	0.014	30.070	1.471	1.471	0.000	0.000	0.000	0.000
1182	I	109	ALA	0	0.019	-0.005	29.710	-1.411	-1.411	0.000	0.000	0.000	0.000
1183	I	110	PHE	0	-0.027	-0.009	28.959	1.532	1.532	0.000	0.000	0.000	0.000
1184	I	111	ASP	-1	-0.761	-0.873	26.878	42.400	42.400	0.000	0.000	0.000	0.000
1185	I	112	ASN	0	-0.016	-0.038	28.759	0.919	0.919	0.000	0.000	0.000	0.000
1186	I	113	GLN	0	-0.038	-0.007	28.145	-1.593	-1.593	0.000	0.000	0.000	0.000
1187	I	114	LYS	1	0.903	0.950	20.401	-53.862	-53.862	0.000	0.000	0.000	0.000
1188	I	115	GLN	0	-0.078	-0.030	25.685	-0.295	-0.295	0.000	0.000	0.000	0.000
1189	I	116	VAL	0	0.038	0.020	23.045	0.742	0.742	0.000	0.000	0.000	0.000
1190	I	117	GLN	0	-0.006	-0.004	26.326	-0.405	-0.405	0.000	0.000	0.000	0.000
1191	I	118	ILE	0	-0.022	-0.015	23.663	2.177	2.177	0.000	0.000	0.000	0.000
1192	I	119	MET	0	-0.009	-0.013	24.460	1.283	1.283	0.000	0.000	0.000	0.000
1193	I	120	GLY	0	0.081	0.027	26.299	-1.400	-1.400	0.000	0.000	0.000	0.000
1194	I	121	PHE	0	-0.025	-0.001	25.979	1.615	1.615	0.000	0.000	0.000	0.000
1195	I	122	LEU	0	-0.042	-0.017	27.930	-1.566	-1.566	0.000	0.000	0.000	0.000
1196	I	123	VAL	0	-0.013	-0.015	30.273	0.102	0.102	0.000	0.000	0.000	0.000
1197	I	124	GLN	0	-0.044	-0.023	33.527	-1.261	-1.261	0.000	0.000	0.000	0.000
1198	I	125	ARG	1	0.956	0.989	28.719	-38.139	-38.139	0.000	0.000	0.000	0.000
1199	I	126	PRO	0	0.042	0.038	35.138	-0.621	-0.621	0.000	0.000	0.000	0.000
1200	I	127	LYS	1	0.996	0.974	37.297	-27.545	-27.545	0.000	0.000	0.000	0.000
1201	I	128	SER	0	-0.036	-0.012	39.461	0.141	0.141	0.000	0.000	0.000	0.000
1202	I	129	ALA	0	0.006	0.016	34.187	0.009	0.009	0.000	0.000	0.000	0.000
1203	I	130	ARG	1	0.938	0.953	34.757	-30.927	-30.927	0.000	0.000	0.000	0.000
1204	I	131	ASP	-1	-0.910	-0.982	30.926	37.780	37.780	0.000	0.000	0.000	0.000
1205	I	132	TRP	0	0.039	0.020	28.659	1.695	1.695	0.000	0.000	0.000	0.000
1206	I	133	GLN	0	0.009	-0.008	27.005	-1.770	-1.770	0.000	0.000	0.000	0.000
1207	I	134	PRO	0	-0.016	0.001	28.263	0.644	0.644	0.000	0.000	0.000	0.000
1208	I	135	ALA	0	0.072	0.018	25.843	0.664	0.664	0.000	0.000	0.000	0.000
1209	I	136	ASN	0	-0.030	-0.021	25.630	1.222	1.222	0.000	0.000	0.000	0.000
1210	I	137	LYS	1	0.925	0.968	27.919	-36.499	-36.499	0.000	0.000	0.000	0.000
1211	I	138	ARG	1	0.864	0.960	22.775	-47.959	-47.959	0.000	0.000	0.000	0.000
1212	I	139	SER	0	-0.016	-0.013	22.087	0.590	0.590	0.000	0.000	0.000	0.000
1213	I	140	VAL	0	-0.041	-0.002	24.129	-1.992	-1.992	0.000	0.000	0.000	0.000
1215	B	1477	CAP	-4	-3.063	-3.533	28.333	140.193	140.193	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1214(A:1477:CAP)