FMO DATABASE

FMODB ID: 3QJGL

Calculation Name: 6URA-AB-Xray434

Preferred Name:
Warning: Undefined array key "pref_name" in /home/FMODBwui_src/fmodbwui/detail.php on line 446

Target Type:
Warning: Undefined array key "target_type" in /home/FMODBwui_src/fmodbwui/detail.php on line 447

Ligand Name: 2-carboxyarabinitol-1,5-diphosphate

ligand 3-letter code: CAP

PDB ID: 6URA

Chain ID: AB

ChEMBL ID:
Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452

Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452

UniProt ID:
Warning: Undefined array key "Uniprot" in /home/FMODBwui_src/fmodbwui/detail.php on line 453

Warning: Undefined array key "Uniprot" in /home/FMODBwui_src/fmodbwui/detail.php on line 453

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	885
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-26708755.89417
FMO2-HF: Nuclear repulsion	26362295.858025
FMO2-HF: Total energy	-346460.036145
FMO2-MP2: Total energy	-347470.938832

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.
-552.327	-558.639	161.353	-77.434	-77.610	-0.613

Interactive mode: IFIE and PIEDA for fragment #884(A:501:CAP)

Summations of interaction energy for fragment #884(A:501: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.
-552.327	-558.639	161.353	-77.434	-77.61	0.613

Interaction energy analysis for fragmet #884(A:501:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.388 / q_NPA : -3.683

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].
154	A	176	GLY	0	0.004	-0.011	5.145	6.845	6.948	-0.001	-0.005	-0.097	0.000
155	A	177	THR	0	0.086	-0.006	1.996	-20.194	-18.662	6.700	-3.918	-4.315	-0.011
156	A	178	VAL	0	-0.046	-0.013	4.051	7.975	8.205	-0.001	-0.057	-0.171	0.000
157	A	179	LYS	1	0.824	0.917	1.922	-227.036	-226.721	10.921	-4.953	-6.283	0.068
159	A	181	LYS	1	0.783	0.905	3.915	-167.907	-167.251	0.001	-0.271	-0.386	0.001
183	A	205	KCX	-1	-0.449	-0.769	1.604	178.206	170.922	27.134	-11.724	-8.125	-0.110
185	A	207	ASP	0	0.200	0.040	4.477	7.862	8.010	-0.001	-0.027	-0.119	0.000
186	A	208	GLU	0	0.169	-0.031	4.026	-16.755	-16.448	-0.001	-0.076	-0.231	0.000
277	A	298	HIS	0	0.548	0.470	1.916	-5.975	-5.840	6.280	-2.605	-3.810	0.009
278	A	299	ARG	1	0.803	0.869	2.072	-258.442	-250.136	8.357	-9.460	-7.203	0.143
281	A	302	HIS	1	0.931	0.957	3.742	-163.643	-162.789	0.008	-0.376	-0.486	0.003
310	A	331	HIS	0	0.102	0.087	1.707	-58.975	-62.437	18.716	-8.599	-6.655	0.092
311	A	332	THR	0	-0.034	-0.026	4.825	-10.995	-10.792	-0.001	-0.018	-0.185	0.000
312	A	333	GLY	0	0.024	0.014	3.582	-11.475	-10.631	0.029	-0.432	-0.441	0.003
313	A	334	THR	0	0.032	0.029	4.585	-19.171	-18.981	-0.001	-0.025	-0.165	0.000
317	A	338	LYS	1	0.818	0.916	2.171	-266.885	-263.383	4.924	-4.256	-4.170	0.052
318	A	339	LEU	0	-0.036	-0.016	2.494	-20.514	-19.850	5.320	-2.205	-3.779	0.026
319	A	340	GLU	-1	-1.016	-1.025	5.729	93.623	93.692	-0.001	-0.001	-0.067	0.000
360	A	381	VAL	0	-0.003	0.010	5.107	-3.933	-3.871	-0.001	-0.003	-0.058	0.000
361	A	382	ALA	0	0.008	0.015	5.105	17.177	17.303	-0.001	-0.004	-0.121	0.000
362	A	383	SER	0	0.022	-0.023	1.967	-28.584	-25.087	6.568	-4.782	-5.283	0.041
363	A	384	GLY	0	0.090	0.041	2.197	10.687	14.033	5.451	-4.100	-4.697	0.017
364	A	385	GLY	0	-0.044	-0.029	2.003	-47.508	-48.192	5.550	-1.501	-3.366	0.058
365	A	386	ILE	0	-0.071	-0.021	3.991	-29.825	-29.230	0.015	-0.274	-0.336	0.002
384	A	405	LEU	0	0.004	0.003	4.236	-9.858	-9.637	-0.001	-0.015	-0.206	0.000
385	A	406	PHE	0	-0.025	-0.022	3.934	13.856	14.394	0.007	-0.179	-0.366	0.001
386	A	407	GLY	0	0.086	0.042	1.964	-34.357	-36.944	12.267	-6.100	-3.580	0.067
387	A	408	GLY	0	0.013	-0.021	1.721	-52.360	-66.373	16.794	0.684	-3.465	0.059
388	A	409	GLY	0	-0.034	-0.011	3.704	-31.322	-30.518	0.030	-0.394	-0.440	0.006
495	B	76	THR	0	-0.056	-0.064	1.603	-5.368	-16.628	23.720	-8.750	-3.710	0.070
496	B	77	TRP	0	0.003	0.002	2.754	-44.642	-41.640	1.162	-1.744	-2.420	0.020
497	B	78	THR	0	-0.019	-0.014	5.176	-19.153	-19.058	-0.001	-0.001	-0.093	0.000
546	B	127	ASN	0	0.112	0.023	2.647	4.319	6.862	1.411	-1.259	-2.695	-0.004
547	B	128	VAL	0	0.034	0.022	5.000	2.487	2.578	-0.001	-0.004	-0.086	0.000
1	A	23	ASP	-1	-0.880	-0.955	54.801	21.261	21.261	0.000	0.000	0.000	0.000
2	A	24	ALA	0	-0.072	-0.037	50.685	-0.087	-0.087	0.000	0.000	0.000	0.000
3	A	25	TYR	0	-0.053	-0.021	47.510	0.518	0.518	0.000	0.000	0.000	0.000
4	A	26	LYS	1	0.894	0.947	49.528	-22.670	-22.670	0.000	0.000	0.000	0.000
5	A	27	ALA	0	0.053	0.027	48.491	0.435	0.435	0.000	0.000	0.000	0.000
6	A	28	GLY	0	0.030	0.013	47.473	-0.296	-0.296	0.000	0.000	0.000	0.000
7	A	29	VAL	0	-0.002	-0.011	42.138	0.323	0.323	0.000	0.000	0.000	0.000
8	A	30	ARG	1	0.887	0.957	42.562	-26.863	-26.863	0.000	0.000	0.000	0.000
9	A	31	ALA	0	-0.008	-0.006	40.823	0.476	0.476	0.000	0.000	0.000	0.000
10	A	32	TYR	0	0.001	-0.033	35.527	-0.311	-0.311	0.000	0.000	0.000	0.000
11	A	33	ALA	0	0.002	-0.023	38.327	0.105	0.105	0.000	0.000	0.000	0.000
12	A	34	VAL	0	-0.091	-0.034	39.196	-0.269	-0.269	0.000	0.000	0.000	0.000
13	A	35	ASP	-1	-0.828	-0.909	40.552	27.047	27.047	0.000	0.000	0.000	0.000
14	A	36	TYR	0	-0.011	-0.014	35.397	0.179	0.179	0.000	0.000	0.000	0.000
15	A	37	TYR	0	-0.023	-0.009	35.955	1.146	1.146	0.000	0.000	0.000	0.000
16	A	38	VAL	0	0.006	0.002	37.133	-0.783	-0.783	0.000	0.000	0.000	0.000
17	A	39	PRO	0	-0.018	-0.001	37.389	0.433	0.433	0.000	0.000	0.000	0.000
18	A	40	ASP	-1	-0.940	-0.967	38.470	28.205	28.205	0.000	0.000	0.000	0.000
19	A	41	TYR	0	-0.071	-0.056	34.645	-0.582	-0.582	0.000	0.000	0.000	0.000
20	A	42	ILE	0	-0.019	-0.013	37.269	0.543	0.543	0.000	0.000	0.000	0.000
21	A	43	PRO	0	-0.048	-0.027	32.456	-0.035	-0.035	0.000	0.000	0.000	0.000
22	A	44	GLN	0	0.043	0.028	34.398	-0.367	-0.367	0.000	0.000	0.000	0.000
23	A	45	ASP	-1	-0.923	-0.963	32.380	34.875	34.875	0.000	0.000	0.000	0.000
24	A	46	THR	0	-0.051	-0.043	31.322	0.785	0.785	0.000	0.000	0.000	0.000
25	A	47	ASP	-1	-0.802	-0.881	31.217	34.472	34.472	0.000	0.000	0.000	0.000
26	A	48	LEU	0	-0.011	-0.003	23.986	1.002	1.002	0.000	0.000	0.000	0.000
27	A	49	LEU	0	-0.042	-0.006	26.425	-0.839	-0.839	0.000	0.000	0.000	0.000
28	A	50	CYS	0	-0.007	-0.001	23.829	2.490	2.490	0.000	0.000	0.000	0.000
29	A	51	ALA	0	0.027	0.029	22.454	-1.798	-1.798	0.000	0.000	0.000	0.000
30	A	52	PHE	0	0.019	-0.001	22.203	2.601	2.601	0.000	0.000	0.000	0.000
31	A	53	ARG	1	0.936	0.980	21.062	-50.898	-50.898	0.000	0.000	0.000	0.000
32	A	54	ILE	0	0.007	-0.007	23.479	0.905	0.905	0.000	0.000	0.000	0.000
33	A	55	GLN	0	-0.006	-0.001	25.044	-1.464	-1.464	0.000	0.000	0.000	0.000
34	A	56	PRO	0	0.007	-0.003	27.359	0.121	0.121	0.000	0.000	0.000	0.000
35	A	57	ARG	1	0.928	0.959	29.039	-37.810	-37.810	0.000	0.000	0.000	0.000
36	A	58	GLY	0	-0.011	-0.008	32.479	-0.296	-0.296	0.000	0.000	0.000	0.000
37	A	59	VAL	0	-0.019	0.002	34.377	-0.869	-0.869	0.000	0.000	0.000	0.000
38	A	60	ASP	-1	-0.859	-0.929	35.376	30.825	30.825	0.000	0.000	0.000	0.000
39	A	61	MET	0	-0.029	-0.008	29.272	0.734	0.734	0.000	0.000	0.000	0.000
40	A	62	ILE	0	0.041	0.018	33.125	0.730	0.730	0.000	0.000	0.000	0.000
41	A	63	GLU	-1	-0.759	-0.889	35.117	31.018	31.018	0.000	0.000	0.000	0.000
42	A	64	ALA	0	-0.025	-0.017	30.817	0.440	0.440	0.000	0.000	0.000	0.000
43	A	65	ALA	0	0.004	-0.009	30.453	0.808	0.808	0.000	0.000	0.000	0.000
44	A	66	ALA	0	0.003	0.005	31.490	0.476	0.476	0.000	0.000	0.000	0.000
45	A	67	ALA	0	0.020	0.016	32.366	-0.184	-0.184	0.000	0.000	0.000	0.000
46	A	68	VAL	0	-0.006	0.006	26.632	0.394	0.394	0.000	0.000	0.000	0.000
47	A	69	ALA	0	0.026	0.033	29.407	0.565	0.565	0.000	0.000	0.000	0.000
48	A	70	ALA	0	0.014	0.025	31.171	-0.099	-0.099	0.000	0.000	0.000	0.000
49	A	71	GLU	-1	-0.784	-0.882	30.871	33.803	33.803	0.000	0.000	0.000	0.000
50	A	72	SER	0	-0.051	-0.035	27.282	0.858	0.858	0.000	0.000	0.000	0.000
51	A	73	SER	0	-0.021	-0.029	29.158	0.019	0.019	0.000	0.000	0.000	0.000
52	A	74	THR	0	-0.011	-0.016	31.999	-0.217	-0.217	0.000	0.000	0.000	0.000
53	A	75	GLY	0	0.005	0.010	34.973	-0.840	-0.840	0.000	0.000	0.000	0.000
54	A	76	THR	0	-0.040	-0.042	35.181	0.922	0.922	0.000	0.000	0.000	0.000
55	A	77	TRP	0	0.001	0.003	37.010	-0.498	-0.498	0.000	0.000	0.000	0.000
56	A	78	THR	0	-0.023	-0.018	38.582	-0.676	-0.676	0.000	0.000	0.000	0.000
57	A	79	GLU	-1	-0.919	-0.944	41.838	27.125	27.125	0.000	0.000	0.000	0.000
58	A	80	VAL	0	-0.007	-0.012	41.928	-0.375	-0.375	0.000	0.000	0.000	0.000
59	A	81	TRP	0	0.013	-0.010	44.702	-0.211	-0.211	0.000	0.000	0.000	0.000
60	A	82	SER	0	-0.037	-0.055	43.082	-0.381	-0.381	0.000	0.000	0.000	0.000
61	A	83	ASN	0	0.026	-0.005	41.876	0.682	0.682	0.000	0.000	0.000	0.000
62	A	84	GLN	0	-0.031	-0.011	44.294	-0.237	-0.237	0.000	0.000	0.000	0.000
63	A	85	LEU	0	-0.094	-0.036	45.380	-0.424	-0.424	0.000	0.000	0.000	0.000
64	A	86	THR	0	-0.058	-0.048	41.185	0.027	0.027	0.000	0.000	0.000	0.000
65	A	87	ASP	-1	-0.861	-0.919	43.212	26.508	26.508	0.000	0.000	0.000	0.000
66	A	88	ILE	0	0.039	-0.003	39.744	0.732	0.732	0.000	0.000	0.000	0.000
67	A	89	ASP	-1	-0.869	-0.933	39.750	27.960	27.960	0.000	0.000	0.000	0.000
68	A	90	PHE	0	-0.031	-0.004	38.519	0.606	0.606	0.000	0.000	0.000	0.000
69	A	91	TYR	0	-0.026	-0.025	36.487	1.022	1.022	0.000	0.000	0.000	0.000
70	A	92	LYS	1	0.814	0.932	35.238	-27.866	-27.866	0.000	0.000	0.000	0.000
71	A	93	ALA	0	0.011	0.002	31.409	0.083	0.083	0.000	0.000	0.000	0.000
72	A	94	LYS	1	0.810	0.903	32.986	-32.152	-32.152	0.000	0.000	0.000	0.000
73	A	95	VAL	0	0.001	0.001	31.665	1.019	1.019	0.000	0.000	0.000	0.000
74	A	96	TYR	0	0.034	0.020	29.885	-0.454	-0.454	0.000	0.000	0.000	0.000
75	A	97	ALA	0	0.002	0.001	31.707	-0.677	-0.677	0.000	0.000	0.000	0.000
76	A	98	ILE	0	0.011	0.007	31.150	0.969	0.969	0.000	0.000	0.000	0.000
77	A	99	THR	0	-0.046	-0.017	28.735	-0.862	-0.862	0.000	0.000	0.000	0.000
78	A	100	GLY	0	-0.005	-0.001	29.044	1.311	1.311	0.000	0.000	0.000	0.000
79	A	101	ASP	-1	-0.894	-0.955	25.684	42.795	42.795	0.000	0.000	0.000	0.000
80	A	102	ILE	0	-0.021	0.002	23.255	1.621	1.621	0.000	0.000	0.000	0.000
81	A	103	ALA	0	0.005	-0.005	26.724	-1.686	-1.686	0.000	0.000	0.000	0.000
82	A	104	TYR	0	-0.013	-0.015	26.215	2.028	2.028	0.000	0.000	0.000	0.000
83	A	105	ILE	0	-0.017	-0.014	27.958	-1.595	-1.595	0.000	0.000	0.000	0.000
84	A	106	ALA	0	0.001	0.006	28.454	1.350	1.350	0.000	0.000	0.000	0.000
85	A	107	TYR	0	0.000	-0.023	27.153	-0.550	-0.550	0.000	0.000	0.000	0.000
86	A	108	PRO	0	0.049	0.028	30.772	0.636	0.636	0.000	0.000	0.000	0.000
87	A	109	LEU	0	0.038	0.012	30.106	0.685	0.685	0.000	0.000	0.000	0.000
88	A	110	ASP	-1	-0.905	-0.960	31.591	32.257	32.257	0.000	0.000	0.000	0.000
89	A	111	LEU	0	-0.076	-0.040	30.857	-0.229	-0.229	0.000	0.000	0.000	0.000
90	A	112	PHE	0	-0.042	-0.013	26.093	0.814	0.814	0.000	0.000	0.000	0.000
91	A	113	GLU	-1	-0.778	-0.870	27.634	37.709	37.709	0.000	0.000	0.000	0.000
92	A	114	GLU	-1	-0.824	-0.916	27.286	36.916	36.916	0.000	0.000	0.000	0.000
93	A	115	ASN	0	-0.015	-0.011	24.184	1.655	1.655	0.000	0.000	0.000	0.000
94	A	116	SER	0	0.075	0.030	23.079	1.444	1.444	0.000	0.000	0.000	0.000
95	A	117	VAL	0	0.036	0.016	17.019	-0.689	-0.689	0.000	0.000	0.000	0.000
96	A	118	VAL	0	0.020	0.017	19.941	0.232	0.232	0.000	0.000	0.000	0.000
97	A	119	ASN	0	0.013	0.018	21.341	-0.949	-0.949	0.000	0.000	0.000	0.000
98	A	120	ILE	0	-0.011	-0.011	21.285	-0.681	-0.681	0.000	0.000	0.000	0.000
99	A	121	MET	0	-0.070	-0.039	15.780	-0.591	-0.591	0.000	0.000	0.000	0.000
100	A	122	SER	0	0.006	-0.010	20.985	0.134	0.134	0.000	0.000	0.000	0.000
101	A	123	SER	0	0.017	0.016	24.134	-1.605	-1.605	0.000	0.000	0.000	0.000
102	A	124	ILE	0	-0.045	-0.011	21.968	-0.409	-0.409	0.000	0.000	0.000	0.000
103	A	125	VAL	0	-0.032	-0.044	18.636	0.432	0.432	0.000	0.000	0.000	0.000
104	A	126	GLY	0	0.000	0.028	21.687	1.132	1.132	0.000	0.000	0.000	0.000
105	A	127	ASN	0	0.137	0.036	23.978	1.665	1.665	0.000	0.000	0.000	0.000
106	A	128	VAL	0	0.034	0.021	24.342	-0.185	-0.185	0.000	0.000	0.000	0.000
107	A	129	PHE	0	-0.001	0.006	19.881	-0.445	-0.445	0.000	0.000	0.000	0.000
108	A	130	GLY	0	0.002	-0.007	23.913	0.754	0.754	0.000	0.000	0.000	0.000
109	A	131	PHE	0	0.032	0.030	26.252	-1.280	-1.280	0.000	0.000	0.000	0.000
110	A	132	LYS	1	0.772	0.865	29.135	-32.671	-32.671	0.000	0.000	0.000	0.000
111	A	133	ALA	0	0.000	0.008	31.653	0.008	0.008	0.000	0.000	0.000	0.000
112	A	134	VAL	0	0.007	0.004	26.590	-0.227	-0.227	0.000	0.000	0.000	0.000
113	A	135	GLY	0	-0.041	-0.009	27.604	0.405	0.405	0.000	0.000	0.000	0.000
114	A	136	ALA	0	-0.033	-0.015	22.467	1.461	1.461	0.000	0.000	0.000	0.000
115	A	137	LEU	0	0.005	0.012	22.296	-1.648	-1.648	0.000	0.000	0.000	0.000
116	A	138	ARG	1	0.910	0.963	13.436	-64.799	-64.799	0.000	0.000	0.000	0.000
117	A	139	LEU	0	-0.003	0.022	18.187	-1.916	-1.916	0.000	0.000	0.000	0.000
118	A	140	GLU	-1	-0.855	-0.935	17.558	62.444	62.444	0.000	0.000	0.000	0.000
119	A	141	ASP	-1	-0.771	-0.910	17.559	58.130	58.130	0.000	0.000	0.000	0.000
120	A	142	MET	0	-0.017	-0.005	19.617	-1.448	-1.448	0.000	0.000	0.000	0.000
121	A	143	ARG	1	0.845	0.954	21.291	-37.964	-37.964	0.000	0.000	0.000	0.000
122	A	144	ILE	0	0.037	0.008	19.984	-1.559	-1.559	0.000	0.000	0.000	0.000
123	A	145	PRO	0	0.038	0.040	24.192	0.257	0.257	0.000	0.000	0.000	0.000
124	A	146	LEU	0	0.058	0.023	27.165	0.445	0.445	0.000	0.000	0.000	0.000
125	A	147	ALA	0	-0.011	-0.022	28.433	0.241	0.241	0.000	0.000	0.000	0.000
126	A	148	LEU	0	0.026	0.024	25.560	-0.372	-0.372	0.000	0.000	0.000	0.000
127	A	149	VAL	0	0.013	0.022	23.418	0.871	0.871	0.000	0.000	0.000	0.000
128	A	150	LYS	1	0.902	0.947	25.313	-38.290	-38.290	0.000	0.000	0.000	0.000
129	A	151	THR	0	-0.083	-0.048	26.954	-0.446	-0.446	0.000	0.000	0.000	0.000
130	A	152	PHE	0	-0.010	0.002	21.498	0.117	0.117	0.000	0.000	0.000	0.000
131	A	153	PRO	0	-0.035	-0.010	21.782	-1.150	-1.150	0.000	0.000	0.000	0.000
132	A	154	GLY	0	0.017	0.007	19.792	-0.439	-0.439	0.000	0.000	0.000	0.000
133	A	155	PRO	0	-0.077	-0.027	16.939	-0.833	-0.833	0.000	0.000	0.000	0.000
134	A	156	ARG	1	0.903	0.951	19.243	-50.134	-50.134	0.000	0.000	0.000	0.000
135	A	157	VAL	0	-0.066	-0.024	18.952	-2.952	-2.952	0.000	0.000	0.000	0.000
136	A	158	GLY	0	0.033	0.002	17.433	-1.856	-1.856	0.000	0.000	0.000	0.000
137	A	159	ILE	0	-0.016	-0.015	15.735	-0.022	-0.022	0.000	0.000	0.000	0.000
138	A	160	TYR	0	0.017	0.000	18.173	-0.578	-0.578	0.000	0.000	0.000	0.000
139	A	161	ASP	-1	-0.849	-0.940	21.804	46.761	46.761	0.000	0.000	0.000	0.000
140	A	162	GLU	-1	-0.800	-0.857	15.697	72.755	72.755	0.000	0.000	0.000	0.000
141	A	163	ARG	1	0.784	0.878	17.743	-62.257	-62.257	0.000	0.000	0.000	0.000
142	A	164	VAL	0	-0.023	-0.010	21.372	-1.523	-1.523	0.000	0.000	0.000	0.000
143	A	165	TRP	0	-0.075	-0.043	20.456	-0.847	-0.847	0.000	0.000	0.000	0.000
144	A	166	SER	0	-0.045	-0.025	19.959	-0.571	-0.571	0.000	0.000	0.000	0.000
145	A	167	ASN	0	-0.032	-0.014	21.982	-0.621	-0.621	0.000	0.000	0.000	0.000
146	A	168	LYS	1	0.786	0.891	17.450	-64.149	-64.149	0.000	0.000	0.000	0.000
147	A	169	TRP	0	0.026	0.007	21.343	1.918	1.918	0.000	0.000	0.000	0.000
148	A	170	ASP	-1	-0.947	-0.968	22.551	48.940	48.940	0.000	0.000	0.000	0.000
149	A	171	ARG	1	0.833	0.891	16.001	-65.828	-65.828	0.000	0.000	0.000	0.000
150	A	172	PRO	0	-0.004	0.008	14.201	-0.216	-0.216	0.000	0.000	0.000	0.000
151	A	173	LEU	0	-0.038	-0.004	14.068	-2.774	-2.774	0.000	0.000	0.000	0.000
152	A	174	ILE	0	-0.025	-0.012	9.685	6.446	6.446	0.000	0.000	0.000	0.000
153	A	175	GLY	0	0.087	0.029	8.911	-6.819	-6.819	0.000	0.000	0.000	0.000
158	A	180	PRO	0	0.053	0.028	6.766	-8.434	-8.434	0.000	0.000	0.000	0.000
160	A	182	LEU	0	-0.009	-0.011	7.277	-6.015	-6.015	0.000	0.000	0.000	0.000
161	A	183	GLY	0	0.060	0.025	10.853	0.279	0.279	0.000	0.000	0.000	0.000
162	A	184	LEU	0	-0.051	-0.003	10.601	-5.642	-5.642	0.000	0.000	0.000	0.000
163	A	185	SER	0	0.051	0.025	14.278	-0.755	-0.755	0.000	0.000	0.000	0.000
164	A	186	PRO	0	0.039	0.008	16.140	2.349	2.349	0.000	0.000	0.000	0.000
165	A	187	LYS	1	1.004	1.011	16.923	-49.302	-49.302	0.000	0.000	0.000	0.000
166	A	188	ALA	0	-0.003	0.005	16.083	0.220	0.220	0.000	0.000	0.000	0.000
167	A	189	TYR	0	0.086	0.030	8.225	2.172	2.172	0.000	0.000	0.000	0.000
168	A	190	SER	0	-0.009	-0.003	13.536	1.473	1.473	0.000	0.000	0.000	0.000
169	A	191	THR	0	-0.040	-0.030	15.995	-1.811	-1.811	0.000	0.000	0.000	0.000
170	A	192	ILE	0	-0.003	0.001	10.170	-0.793	-0.793	0.000	0.000	0.000	0.000
171	A	193	ILE	0	0.016	0.009	11.546	2.203	2.203	0.000	0.000	0.000	0.000
172	A	194	TYR	0	-0.045	-0.052	13.314	-0.405	-0.405	0.000	0.000	0.000	0.000
173	A	195	GLU	-1	-0.889	-0.922	14.720	57.940	57.940	0.000	0.000	0.000	0.000
174	A	196	CYS	0	-0.056	-0.023	10.752	1.000	1.000	0.000	0.000	0.000	0.000
175	A	197	LEU	0	0.040	0.022	12.831	-0.290	-0.290	0.000	0.000	0.000	0.000
176	A	198	SER	0	-0.042	-0.066	14.922	-3.065	-3.065	0.000	0.000	0.000	0.000
177	A	199	GLY	0	-0.083	-0.037	15.552	-2.383	-2.383	0.000	0.000	0.000	0.000
178	A	200	GLY	0	0.010	0.000	15.481	-0.898	-0.898	0.000	0.000	0.000	0.000
179	A	201	LEU	0	-0.032	-0.001	8.810	0.082	0.082	0.000	0.000	0.000	0.000
180	A	202	ASP	-1	-0.730	-0.807	12.745	66.921	66.921	0.000	0.000	0.000	0.000
181	A	203	THR	0	-0.007	-0.015	10.633	-2.723	-2.723	0.000	0.000	0.000	0.000
182	A	204	SER	0	-0.001	-0.019	8.922	4.143	4.143	0.000	0.000	0.000	0.000
184	A	206	ASP	-1	-0.700	-0.835	6.838	89.522	89.522	0.000	0.000	0.000	0.000
188	A	209	ASN	0	-0.001	0.015	5.642	-4.174	-4.174	0.000	0.000	0.000	0.000
189	A	210	MET	0	-0.069	-0.006	8.336	-9.582	-9.582	0.000	0.000	0.000	0.000
190	A	211	ASN	0	-0.048	-0.013	10.373	-2.049	-2.049	0.000	0.000	0.000	0.000
191	A	212	SER	0	0.045	0.022	13.097	-1.691	-1.691	0.000	0.000	0.000	0.000
192	A	213	GLN	0	0.020	0.012	12.442	-2.211	-2.211	0.000	0.000	0.000	0.000
193	A	214	PRO	0	-0.019	-0.013	17.499	-0.880	-0.880	0.000	0.000	0.000	0.000
194	A	215	PHE	0	0.009	0.022	12.749	-1.076	-1.076	0.000	0.000	0.000	0.000
195	A	216	SER	0	0.002	-0.018	14.769	0.767	0.767	0.000	0.000	0.000	0.000
196	A	217	ARG	1	0.835	0.931	16.439	-50.892	-50.892	0.000	0.000	0.000	0.000
197	A	218	TRP	0	0.044	0.012	16.752	-0.090	-0.090	0.000	0.000	0.000	0.000
198	A	219	ARG	1	0.949	0.983	17.760	-45.348	-45.348	0.000	0.000	0.000	0.000
199	A	220	ASP	-1	-0.883	-0.938	19.906	49.329	49.329	0.000	0.000	0.000	0.000
200	A	221	ARG	1	0.751	0.856	12.316	-75.350	-75.350	0.000	0.000	0.000	0.000
201	A	222	PHE	0	0.005	-0.010	14.227	0.769	0.769	0.000	0.000	0.000	0.000
202	A	223	MET	0	0.009	0.012	17.574	-0.452	-0.452	0.000	0.000	0.000	0.000
203	A	224	TYR	0	-0.002	-0.007	18.318	-0.456	-0.456	0.000	0.000	0.000	0.000
204	A	225	ALA	0	-0.018	-0.012	14.540	0.257	0.257	0.000	0.000	0.000	0.000
205	A	226	GLN	0	0.037	0.017	16.399	3.864	3.864	0.000	0.000	0.000	0.000
206	A	227	GLU	-1	-0.890	-0.939	18.795	46.638	46.638	0.000	0.000	0.000	0.000
207	A	228	ALA	0	-0.071	-0.033	16.916	-0.816	-0.816	0.000	0.000	0.000	0.000
208	A	229	VAL	0	-0.011	-0.006	15.579	0.376	0.376	0.000	0.000	0.000	0.000
209	A	230	ASP	-1	-0.859	-0.928	18.121	50.307	50.307	0.000	0.000	0.000	0.000
210	A	231	ARG	1	0.814	0.921	21.583	-49.356	-49.356	0.000	0.000	0.000	0.000
211	A	232	ALA	0	0.033	0.012	18.652	-1.210	-1.210	0.000	0.000	0.000	0.000
212	A	233	ALA	0	0.014	0.026	20.576	-0.831	-0.831	0.000	0.000	0.000	0.000
213	A	234	ALA	0	-0.008	-0.006	21.934	-1.632	-1.632	0.000	0.000	0.000	0.000
214	A	235	GLU	-1	-0.874	-0.917	23.407	46.771	46.771	0.000	0.000	0.000	0.000
215	A	236	THR	0	-0.083	-0.063	19.992	-0.383	-0.383	0.000	0.000	0.000	0.000
216	A	237	ASN	0	-0.076	-0.028	23.345	-0.708	-0.708	0.000	0.000	0.000	0.000
217	A	238	GLU	-1	-0.806	-0.882	18.409	60.208	60.208	0.000	0.000	0.000	0.000
218	A	239	PHE	0	0.020	0.012	18.370	0.577	0.577	0.000	0.000	0.000	0.000
219	A	240	LYS	1	0.822	0.906	16.274	-62.208	-62.208	0.000	0.000	0.000	0.000
220	A	241	GLY	0	0.027	-0.005	15.495	-2.905	-2.905	0.000	0.000	0.000	0.000
221	A	242	HIS	0	0.019	0.018	9.502	4.662	4.662	0.000	0.000	0.000	0.000
222	A	243	TRP	0	-0.016	-0.018	7.203	-2.050	-2.050	0.000	0.000	0.000	0.000
223	A	244	HIS	0	0.036	0.005	10.078	6.606	6.606	0.000	0.000	0.000	0.000
224	A	245	ASN	0	0.009	0.004	8.263	-4.659	-4.659	0.000	0.000	0.000	0.000
225	A	246	VAL	0	-0.027	-0.008	10.934	-3.945	-3.945	0.000	0.000	0.000	0.000
226	A	247	THR	0	-0.010	0.004	10.040	-5.321	-5.321	0.000	0.000	0.000	0.000
227	A	248	ALA	0	0.003	-0.002	13.061	-0.745	-0.745	0.000	0.000	0.000	0.000
228	A	249	GLY	0	-0.013	-0.007	16.111	0.840	0.840	0.000	0.000	0.000	0.000
229	A	250	SER	0	-0.042	-0.036	18.561	-1.711	-1.711	0.000	0.000	0.000	0.000
230	A	251	THR	0	0.062	0.030	19.617	2.823	2.823	0.000	0.000	0.000	0.000
231	A	252	GLU	-1	-0.871	-0.932	20.964	42.272	42.272	0.000	0.000	0.000	0.000
232	A	253	GLU	-1	-0.863	-0.928	19.564	49.669	49.669	0.000	0.000	0.000	0.000
233	A	254	SER	0	-0.007	-0.016	16.304	0.788	0.788	0.000	0.000	0.000	0.000
234	A	255	LEU	0	0.020	0.011	18.464	0.925	0.925	0.000	0.000	0.000	0.000
235	A	256	ARG	1	0.821	0.913	21.149	-45.486	-45.486	0.000	0.000	0.000	0.000
236	A	257	ARG	1	0.728	0.829	15.837	-59.641	-59.641	0.000	0.000	0.000	0.000
237	A	258	LEU	0	0.040	0.014	17.530	1.217	1.217	0.000	0.000	0.000	0.000
238	A	259	GLU	-1	-0.829	-0.917	18.934	43.709	43.709	0.000	0.000	0.000	0.000
239	A	260	TYR	0	-0.055	-0.023	20.199	-1.776	-1.776	0.000	0.000	0.000	0.000
240	A	261	ALA	0	0.013	-0.001	17.612	-0.327	-0.327	0.000	0.000	0.000	0.000
241	A	262	TYR	0	0.008	-0.009	19.582	-0.045	-0.045	0.000	0.000	0.000	0.000
242	A	263	GLU	-1	-0.952	-0.981	22.165	39.710	39.710	0.000	0.000	0.000	0.000
243	A	264	LEU	0	-0.110	-0.034	19.985	-0.847	-0.847	0.000	0.000	0.000	0.000
244	A	265	GLY	0	0.006	0.010	23.282	-0.115	-0.115	0.000	0.000	0.000	0.000
245	A	266	SER	0	-0.042	-0.013	16.720	1.224	1.224	0.000	0.000	0.000	0.000
246	A	267	ARG	1	0.884	0.926	18.890	-52.068	-52.068	0.000	0.000	0.000	0.000
247	A	268	MET	0	-0.062	0.001	14.125	2.782	2.782	0.000	0.000	0.000	0.000
248	A	269	VAL	0	0.015	0.020	13.186	-0.922	-0.922	0.000	0.000	0.000	0.000
249	A	270	MET	0	-0.064	-0.001	5.011	2.280	2.280	0.000	0.000	0.000	0.000
250	A	271	PHE	0	0.015	-0.004	9.848	-5.419	-5.419	0.000	0.000	0.000	0.000
251	A	272	ASP	-1	-0.770	-0.904	7.598	111.829	111.829	0.000	0.000	0.000	0.000
252	A	273	PHE	0	-0.009	-0.014	7.465	-5.161	-5.161	0.000	0.000	0.000	0.000
253	A	274	LEU	0	-0.064	-0.026	7.998	-5.594	-5.594	0.000	0.000	0.000	0.000
254	A	275	THR	0	-0.013	-0.012	9.771	-4.806	-4.806	0.000	0.000	0.000	0.000
255	A	276	ALA	0	0.030	0.027	12.445	-5.345	-5.345	0.000	0.000	0.000	0.000
256	A	277	GLY	0	0.035	0.009	14.106	-4.696	-4.696	0.000	0.000	0.000	0.000
257	A	278	PHE	0	0.031	-0.005	13.463	0.869	0.869	0.000	0.000	0.000	0.000
258	A	279	ALA	0	0.030	0.029	16.733	-0.965	-0.965	0.000	0.000	0.000	0.000
259	A	280	ALA	0	0.028	0.007	17.679	-1.176	-1.176	0.000	0.000	0.000	0.000
260	A	281	SER	0	-0.009	-0.025	14.733	1.267	1.267	0.000	0.000	0.000	0.000
261	A	282	ALA	0	-0.031	0.004	16.898	-0.030	-0.030	0.000	0.000	0.000	0.000
262	A	283	ASP	-1	-0.780	-0.902	19.987	45.589	45.589	0.000	0.000	0.000	0.000
263	A	284	ILE	0	-0.025	-0.008	15.895	-1.243	-1.243	0.000	0.000	0.000	0.000
264	A	285	PHE	0	0.016	-0.008	13.633	0.914	0.914	0.000	0.000	0.000	0.000
265	A	286	LYS	1	0.915	0.981	19.410	-43.122	-43.122	0.000	0.000	0.000	0.000
266	A	287	ARG	1	0.836	0.916	21.779	-44.620	-44.620	0.000	0.000	0.000	0.000
267	A	288	ALA	0	0.037	0.001	18.577	-0.903	-0.903	0.000	0.000	0.000	0.000
268	A	289	GLY	0	-0.016	-0.025	20.625	-0.644	-0.644	0.000	0.000	0.000	0.000
269	A	290	GLU	-1	-0.936	-0.975	22.920	40.931	40.931	0.000	0.000	0.000	0.000
270	A	291	LEU	0	-0.037	-0.004	22.434	-1.374	-1.374	0.000	0.000	0.000	0.000
271	A	292	ASP	-1	-0.884	-0.898	23.493	44.957	44.957	0.000	0.000	0.000	0.000
272	A	293	MET	0	-0.083	-0.028	18.227	0.394	0.394	0.000	0.000	0.000	0.000
273	A	294	ILE	0	-0.030	-0.011	14.096	0.145	0.145	0.000	0.000	0.000	0.000
274	A	295	VAL	0	0.021	0.000	13.040	0.839	0.839	0.000	0.000	0.000	0.000
275	A	296	HIS	0	-0.029	-0.023	5.664	-8.024	-8.024	0.000	0.000	0.000	0.000
276	A	297	CYS	0	-0.013	0.014	9.471	-2.973	-2.973	0.000	0.000	0.000	0.000
279	A	300	ALA	0	0.077	0.033	5.280	-0.643	-0.643	0.000	0.000	0.000	0.000
280	A	301	MET	0	-0.009	-0.005	6.115	-13.163	-13.163	0.000	0.000	0.000	0.000
282	A	303	ALA	0	-0.039	-0.001	6.684	-7.316	-7.316	0.000	0.000	0.000	0.000
283	A	304	VAL	0	-0.008	0.001	8.483	-7.703	-7.703	0.000	0.000	0.000	0.000
284	A	305	PHE	0	0.017	-0.014	11.103	-5.673	-5.673	0.000	0.000	0.000	0.000
285	A	306	THR	0	0.020	0.022	8.700	1.328	1.328	0.000	0.000	0.000	0.000
286	A	307	ARG	1	0.805	0.920	9.324	-94.305	-94.305	0.000	0.000	0.000	0.000
287	A	308	GLN	0	-0.026	-0.014	10.945	-4.682	-4.682	0.000	0.000	0.000	0.000
288	A	309	ALA	0	0.020	0.007	14.685	-0.928	-0.928	0.000	0.000	0.000	0.000
289	A	310	ASN	0	-0.026	-0.027	16.549	0.018	0.018	0.000	0.000	0.000	0.000
290	A	311	HIS	0	-0.023	-0.017	17.861	-3.758	-3.758	0.000	0.000	0.000	0.000
291	A	312	GLY	0	0.035	0.031	15.868	3.273	3.273	0.000	0.000	0.000	0.000
292	A	313	ILE	0	-0.019	-0.010	14.133	-3.658	-3.658	0.000	0.000	0.000	0.000
293	A	314	ALA	0	0.024	0.020	13.086	5.690	5.690	0.000	0.000	0.000	0.000
294	A	315	MET	0	0.059	0.040	7.113	3.404	3.404	0.000	0.000	0.000	0.000
295	A	316	ARG	1	0.879	0.946	10.730	-65.544	-65.544	0.000	0.000	0.000	0.000
296	A	317	VAL	0	0.014	0.015	13.275	-2.134	-2.134	0.000	0.000	0.000	0.000
297	A	318	VAL	0	0.004	-0.001	9.603	-1.604	-1.604	0.000	0.000	0.000	0.000
298	A	319	ALA	0	-0.001	-0.002	10.993	-0.298	-0.298	0.000	0.000	0.000	0.000
299	A	320	LYS	1	0.834	0.911	12.110	-56.977	-56.977	0.000	0.000	0.000	0.000
300	A	321	TRP	0	0.029	0.000	14.758	-1.133	-1.133	0.000	0.000	0.000	0.000
301	A	322	LEU	0	0.000	0.023	10.559	-2.610	-2.610	0.000	0.000	0.000	0.000
302	A	323	ARG	1	0.823	0.897	13.741	-60.270	-60.270	0.000	0.000	0.000	0.000
303	A	324	LEU	0	-0.024	-0.019	15.830	-2.696	-2.696	0.000	0.000	0.000	0.000
304	A	325	THR	0	-0.015	-0.031	16.423	-3.037	-3.037	0.000	0.000	0.000	0.000
305	A	326	GLY	0	0.001	0.005	16.776	-1.942	-1.942	0.000	0.000	0.000	0.000
306	A	327	GLY	0	0.047	0.019	13.316	0.195	0.195	0.000	0.000	0.000	0.000
307	A	328	ASP	-1	-0.759	-0.876	14.312	63.519	63.519	0.000	0.000	0.000	0.000
308	A	329	HIS	1	0.751	0.850	9.853	-87.324	-87.324	0.000	0.000	0.000	0.000
309	A	330	LEU	0	0.015	0.009	6.971	-1.249	-1.249	0.000	0.000	0.000	0.000
314	A	335	VAL	0	0.016	0.037	6.963	-12.720	-12.720	0.000	0.000	0.000	0.000
315	A	336	VAL	0	-0.001	-0.017	9.049	-4.517	-4.517	0.000	0.000	0.000	0.000
316	A	337	GLY	0	0.008	0.013	7.316	-3.916	-3.916	0.000	0.000	0.000	0.000
320	A	341	GLY	0	0.058	0.024	6.173	11.939	11.939	0.000	0.000	0.000	0.000
321	A	342	SER	0	-0.012	0.006	8.140	-4.302	-4.302	0.000	0.000	0.000	0.000
322	A	343	TRP	0	0.069	0.043	11.196	5.068	5.068	0.000	0.000	0.000	0.000
323	A	344	ASN	0	0.022	-0.011	13.300	1.610	1.610	0.000	0.000	0.000	0.000
324	A	345	ASP	-1	-0.914	-0.950	11.756	79.880	79.880	0.000	0.000	0.000	0.000
325	A	346	THR	0	-0.005	-0.047	8.913	3.766	3.766	0.000	0.000	0.000	0.000
326	A	347	LEU	0	-0.034	-0.008	11.095	0.616	0.616	0.000	0.000	0.000	0.000
327	A	348	GLY	0	0.058	0.041	14.423	-1.883	-1.883	0.000	0.000	0.000	0.000
328	A	349	ILE	0	-0.045	-0.035	9.320	-0.916	-0.916	0.000	0.000	0.000	0.000
329	A	350	ILE	0	-0.012	-0.002	11.501	0.173	0.173	0.000	0.000	0.000	0.000
330	A	351	ASP	-1	-0.881	-0.940	13.347	58.764	58.764	0.000	0.000	0.000	0.000
331	A	352	ILE	0	-0.089	-0.040	14.800	-2.890	-2.890	0.000	0.000	0.000	0.000
332	A	353	LEU	0	-0.021	-0.010	10.482	-1.457	-1.457	0.000	0.000	0.000	0.000
333	A	354	ARG	1	0.863	0.922	14.636	-71.242	-71.242	0.000	0.000	0.000	0.000
334	A	355	GLU	-1	-0.899	-0.928	17.349	51.000	51.000	0.000	0.000	0.000	0.000
335	A	356	ARG	1	0.906	0.975	20.693	-41.240	-41.240	0.000	0.000	0.000	0.000
336	A	357	TYR	0	-0.058	-0.045	23.717	-0.879	-0.879	0.000	0.000	0.000	0.000
337	A	358	VAL	0	0.037	0.038	19.546	0.203	0.203	0.000	0.000	0.000	0.000
338	A	359	LYS	1	0.869	0.928	22.787	-40.990	-40.990	0.000	0.000	0.000	0.000
339	A	360	ALA	0	0.011	0.003	23.078	1.753	1.753	0.000	0.000	0.000	0.000
340	A	361	ASN	0	0.002	-0.013	21.748	-2.280	-2.280	0.000	0.000	0.000	0.000
341	A	362	LEU	0	0.017	0.013	21.091	2.057	2.057	0.000	0.000	0.000	0.000
342	A	363	GLU	-1	-0.977	-0.968	20.591	51.975	51.975	0.000	0.000	0.000	0.000
343	A	364	HIS	0	0.020	-0.002	17.367	2.871	2.871	0.000	0.000	0.000	0.000
344	A	365	GLY	0	-0.036	-0.021	16.719	3.048	3.048	0.000	0.000	0.000	0.000
345	A	366	LEU	0	-0.048	-0.023	17.154	0.562	0.562	0.000	0.000	0.000	0.000
346	A	367	TYR	0	-0.006	-0.023	19.401	-2.772	-2.772	0.000	0.000	0.000	0.000
347	A	368	PHE	0	-0.040	-0.024	22.644	-2.321	-2.321	0.000	0.000	0.000	0.000
348	A	369	ASP	-1	-0.760	-0.868	23.220	43.058	43.058	0.000	0.000	0.000	0.000
349	A	370	GLN	0	-0.049	-0.029	20.511	0.282	0.282	0.000	0.000	0.000	0.000
350	A	371	ASP	-1	-0.832	-0.914	23.627	42.327	42.327	0.000	0.000	0.000	0.000
351	A	372	PHE	0	0.065	0.018	18.279	0.602	0.602	0.000	0.000	0.000	0.000
352	A	373	GLY	0	-0.020	-0.025	23.385	0.065	0.065	0.000	0.000	0.000	0.000
353	A	374	GLY	0	-0.148	-0.082	25.757	-1.171	-1.171	0.000	0.000	0.000	0.000
354	A	375	LEU	0	-0.005	0.022	21.710	-0.001	-0.001	0.000	0.000	0.000	0.000
355	A	376	LYS	1	0.833	0.911	20.671	-49.076	-49.076	0.000	0.000	0.000	0.000
356	A	377	ALA	0	0.002	0.017	17.701	1.123	1.123	0.000	0.000	0.000	0.000
357	A	378	SER	0	0.006	-0.006	13.288	-1.207	-1.207	0.000	0.000	0.000	0.000
358	A	379	TRP	0	-0.008	-0.006	11.886	1.131	1.131	0.000	0.000	0.000	0.000
359	A	380	PRO	0	-0.014	-0.002	9.485	6.151	6.151	0.000	0.000	0.000	0.000
366	A	387	HIS	0	0.044	-0.005	5.902	4.981	4.981	0.000	0.000	0.000	0.000
367	A	388	VAL	0	0.041	0.018	8.632	-4.663	-4.663	0.000	0.000	0.000	0.000
368	A	389	HIS	0	-0.076	-0.054	11.931	-5.017	-5.017	0.000	0.000	0.000	0.000
369	A	390	HIS	0	0.013	0.017	8.934	-0.864	-0.864	0.000	0.000	0.000	0.000
370	A	391	VAL	0	0.017	0.025	12.001	-0.471	-0.471	0.000	0.000	0.000	0.000
371	A	392	PRO	0	-0.036	-0.032	13.724	-1.524	-1.524	0.000	0.000	0.000	0.000
372	A	393	ASP	-1	-0.881	-0.943	14.765	70.221	70.221	0.000	0.000	0.000	0.000
373	A	394	LEU	0	-0.010	-0.001	9.527	0.128	0.128	0.000	0.000	0.000	0.000
374	A	395	LEU	0	-0.009	0.003	13.110	-0.159	-0.159	0.000	0.000	0.000	0.000
375	A	396	LYS	1	0.905	0.952	15.981	-62.331	-62.331	0.000	0.000	0.000	0.000
376	A	397	ILE	0	-0.039	-0.002	11.511	-2.123	-2.123	0.000	0.000	0.000	0.000
377	A	398	TYR	0	0.005	-0.012	7.874	1.263	1.263	0.000	0.000	0.000	0.000
378	A	399	GLY	0	-0.014	0.006	13.920	-3.222	-3.222	0.000	0.000	0.000	0.000
379	A	400	ASN	0	0.056	-0.007	15.588	5.197	5.197	0.000	0.000	0.000	0.000
380	A	401	ASP	-1	-0.874	-0.914	16.028	63.272	63.272	0.000	0.000	0.000	0.000
381	A	402	ALA	0	-0.006	-0.016	10.828	2.211	2.211	0.000	0.000	0.000	0.000
382	A	403	PHE	0	0.043	0.023	9.345	-2.815	-2.815	0.000	0.000	0.000	0.000
383	A	404	PHE	0	-0.042	-0.017	8.687	7.344	7.344	0.000	0.000	0.000	0.000
389	A	410	THR	0	-0.025	-0.019	5.839	-21.746	-21.746	0.000	0.000	0.000	0.000
390	A	411	HIS	0	0.047	0.024	5.514	-23.034	-23.034	0.000	0.000	0.000	0.000
391	A	412	GLY	0	0.049	0.024	7.165	-6.998	-6.998	0.000	0.000	0.000	0.000
392	A	413	HIS	0	-0.045	-0.006	8.447	-6.719	-6.719	0.000	0.000	0.000	0.000
393	A	414	PRO	0	-0.029	-0.017	11.603	-1.828	-1.828	0.000	0.000	0.000	0.000
394	A	415	ASP	-1	-0.838	-0.903	14.723	54.371	54.371	0.000	0.000	0.000	0.000
395	A	416	GLY	0	-0.006	0.004	13.214	-2.524	-2.524	0.000	0.000	0.000	0.000
396	A	417	SER	0	0.025	-0.017	10.283	0.055	0.055	0.000	0.000	0.000	0.000
397	A	418	ARG	1	0.909	0.976	12.128	-54.354	-54.354	0.000	0.000	0.000	0.000
398	A	419	ALA	0	0.023	0.005	14.975	-0.121	-0.121	0.000	0.000	0.000	0.000
399	A	420	GLY	0	0.042	0.012	11.111	-0.390	-0.390	0.000	0.000	0.000	0.000
400	A	421	ALA	0	-0.038	0.003	11.367	2.632	2.632	0.000	0.000	0.000	0.000
401	A	422	ILE	0	0.009	0.018	12.248	-1.023	-1.023	0.000	0.000	0.000	0.000
402	A	423	ALA	0	-0.049	-0.013	13.030	-1.652	-1.652	0.000	0.000	0.000	0.000
403	A	424	ASN	0	-0.006	-0.018	8.404	-3.822	-3.822	0.000	0.000	0.000	0.000
404	A	425	ARG	1	0.818	0.900	11.983	-64.324	-64.324	0.000	0.000	0.000	0.000
405	A	426	ALA	0	0.015	0.005	14.629	-2.499	-2.499	0.000	0.000	0.000	0.000
406	A	427	ALA	0	-0.054	-0.037	13.694	-2.610	-2.610	0.000	0.000	0.000	0.000
407	A	428	VAL	0	-0.004	-0.008	12.318	-1.880	-1.880	0.000	0.000	0.000	0.000
408	A	429	GLU	-1	-0.904	-0.959	15.443	55.846	55.846	0.000	0.000	0.000	0.000
409	A	430	ALA	0	-0.023	-0.004	18.759	-2.423	-2.423	0.000	0.000	0.000	0.000
410	A	431	VAL	0	-0.036	-0.030	17.244	-2.162	-2.162	0.000	0.000	0.000	0.000
411	A	432	SER	0	-0.040	-0.011	18.577	-1.625	-1.625	0.000	0.000	0.000	0.000
412	A	433	ALA	0	0.008	0.014	20.153	-1.926	-1.926	0.000	0.000	0.000	0.000
413	A	434	GLY	0	-0.030	-0.009	22.835	-2.686	-2.686	0.000	0.000	0.000	0.000
414	A	435	GLN	0	-0.073	-0.031	23.271	0.083	0.083	0.000	0.000	0.000	0.000
415	A	436	THR	0	0.037	0.014	21.763	2.300	2.300	0.000	0.000	0.000	0.000
416	A	437	LEU	0	0.093	0.036	16.012	-1.549	-1.549	0.000	0.000	0.000	0.000
417	A	438	GLN	0	0.029	0.015	19.693	-1.683	-1.683	0.000	0.000	0.000	0.000
418	A	439	GLN	0	-0.040	-0.017	22.806	-1.685	-1.685	0.000	0.000	0.000	0.000
419	A	440	ALA	0	0.040	0.013	20.142	-1.391	-1.391	0.000	0.000	0.000	0.000
420	A	441	ALA	0	0.030	0.017	20.447	-0.371	-0.371	0.000	0.000	0.000	0.000
421	A	442	ARG	1	0.895	0.952	21.684	-43.018	-43.018	0.000	0.000	0.000	0.000
422	A	443	SER	0	-0.045	-0.034	23.959	-1.032	-1.032	0.000	0.000	0.000	0.000
423	A	444	CYS	0	-0.013	0.027	19.466	0.358	0.358	0.000	0.000	0.000	0.000
424	A	445	PRO	0	0.003	-0.011	20.813	1.010	1.010	0.000	0.000	0.000	0.000
425	A	446	GLU	-1	-0.822	-0.914	16.486	55.985	55.985	0.000	0.000	0.000	0.000
426	A	447	LEU	0	0.062	0.016	15.190	3.389	3.389	0.000	0.000	0.000	0.000
427	A	448	ARG	1	0.888	0.945	16.896	-46.859	-46.859	0.000	0.000	0.000	0.000
428	A	449	LYS	1	0.849	0.921	16.683	-55.612	-55.612	0.000	0.000	0.000	0.000
429	A	450	SER	0	0.037	0.020	12.600	1.170	1.170	0.000	0.000	0.000	0.000
430	A	451	LEU	0	-0.057	-0.037	14.067	2.236	2.236	0.000	0.000	0.000	0.000
431	A	452	GLU	-1	-0.963	-0.964	16.203	52.793	52.793	0.000	0.000	0.000	0.000
432	A	453	LEU	0	-0.032	-0.005	11.551	-0.944	-0.944	0.000	0.000	0.000	0.000
433	A	454	TRP	0	-0.005	-0.022	8.546	1.328	1.328	0.000	0.000	0.000	0.000
434	A	455	ALA	0	-0.011	0.006	13.306	2.241	2.241	0.000	0.000	0.000	0.000
435	A	456	ASP	-1	-0.938	-0.970	16.188	59.571	59.571	0.000	0.000	0.000	0.000
436	A	457	VAL	0	-0.045	-0.008	9.778	0.579	0.579	0.000	0.000	0.000	0.000
437	A	458	LYS	1	0.916	0.953	11.963	-72.528	-72.528	0.000	0.000	0.000	0.000
438	A	459	PHE	0	0.023	0.014	7.495	1.204	1.204	0.000	0.000	0.000	0.000
439	A	460	GLU	-1	-0.945	-0.971	12.594	65.468	65.468	0.000	0.000	0.000	0.000
440	A	461	VAL	0	0.009	0.007	12.565	6.822	6.822	0.000	0.000	0.000	0.000
441	A	462	VAL	0	0.010	0.008	13.295	-5.300	-5.300	0.000	0.000	0.000	0.000
442	A	463	GLN	0	0.037	0.033	13.928	2.792	2.792	0.000	0.000	0.000	0.000
443	B	24	ALA	0	0.006	-0.003	18.978	-0.243	-0.243	0.000	0.000	0.000	0.000
444	B	25	TYR	0	-0.028	-0.026	11.579	2.054	2.054	0.000	0.000	0.000	0.000
445	B	26	LYS	1	0.889	0.944	15.250	-57.503	-57.503	0.000	0.000	0.000	0.000
446	B	27	ALA	0	0.031	0.022	12.472	2.521	2.521	0.000	0.000	0.000	0.000
447	B	28	GLY	0	0.027	0.018	11.424	-4.071	-4.071	0.000	0.000	0.000	0.000
448	B	29	VAL	0	0.016	-0.001	9.376	2.531	2.531	0.000	0.000	0.000	0.000
449	B	30	ARG	1	0.850	0.935	11.423	-80.548	-80.548	0.000	0.000	0.000	0.000
450	B	31	ALA	0	-0.006	-0.002	12.160	4.877	4.877	0.000	0.000	0.000	0.000
451	B	32	TYR	0	-0.001	-0.030	6.898	-3.175	-3.175	0.000	0.000	0.000	0.000
452	B	33	ALA	0	0.002	-0.017	13.299	-2.016	-2.016	0.000	0.000	0.000	0.000
453	B	34	VAL	0	-0.084	-0.035	15.881	-3.267	-3.267	0.000	0.000	0.000	0.000
454	B	35	ASP	-1	-0.810	-0.891	14.229	67.283	67.283	0.000	0.000	0.000	0.000
455	B	36	TYR	0	0.009	0.002	11.106	1.995	1.995	0.000	0.000	0.000	0.000
456	B	37	TYR	0	-0.030	-0.010	16.387	-0.886	-0.886	0.000	0.000	0.000	0.000
457	B	38	VAL	0	-0.007	-0.006	19.590	-1.147	-1.147	0.000	0.000	0.000	0.000
458	B	39	PRO	0	-0.012	-0.002	22.298	-0.873	-0.873	0.000	0.000	0.000	0.000
459	B	40	ASP	-1	-0.924	-0.958	25.543	44.784	44.784	0.000	0.000	0.000	0.000
460	B	41	TYR	0	-0.083	-0.084	23.850	-0.839	-0.839	0.000	0.000	0.000	0.000
461	B	42	ILE	0	-0.020	-0.013	25.997	-0.584	-0.584	0.000	0.000	0.000	0.000
462	B	43	PRO	0	-0.034	-0.023	25.880	0.383	0.383	0.000	0.000	0.000	0.000
463	B	44	GLN	0	0.011	0.008	26.049	-2.847	-2.847	0.000	0.000	0.000	0.000
464	B	45	ASP	-1	-0.911	-0.953	26.805	40.083	40.083	0.000	0.000	0.000	0.000
465	B	46	THR	0	-0.049	-0.039	25.166	-0.270	-0.270	0.000	0.000	0.000	0.000
466	B	47	ASP	-1	-0.799	-0.851	22.649	52.070	52.070	0.000	0.000	0.000	0.000
467	B	48	LEU	0	-0.010	0.012	18.063	-2.272	-2.272	0.000	0.000	0.000	0.000
468	B	49	LEU	0	-0.046	-0.012	20.420	2.025	2.025	0.000	0.000	0.000	0.000
469	B	50	CYS	0	-0.013	0.007	16.275	-0.486	-0.486	0.000	0.000	0.000	0.000
470	B	51	ALA	0	0.039	0.034	19.750	-0.628	-0.628	0.000	0.000	0.000	0.000
471	B	52	PHE	0	0.017	-0.005	13.638	0.708	0.708	0.000	0.000	0.000	0.000
472	B	53	ARG	1	0.824	0.892	18.805	-50.825	-50.825	0.000	0.000	0.000	0.000
473	B	54	ILE	0	-0.012	-0.016	16.428	3.276	3.276	0.000	0.000	0.000	0.000
474	B	55	GLN	0	-0.021	-0.008	17.829	-2.476	-2.476	0.000	0.000	0.000	0.000
475	B	56	PRO	0	0.018	0.010	17.446	3.795	3.795	0.000	0.000	0.000	0.000
476	B	57	ARG	1	0.902	0.942	13.412	-78.869	-78.869	0.000	0.000	0.000	0.000
477	B	58	GLY	0	-0.011	-0.006	16.658	3.475	3.475	0.000	0.000	0.000	0.000
478	B	59	VAL	0	-0.023	0.002	15.265	0.043	0.043	0.000	0.000	0.000	0.000
479	B	60	ASP	-1	-0.834	-0.919	18.575	56.879	56.879	0.000	0.000	0.000	0.000
480	B	61	MET	0	0.022	-0.010	19.416	3.407	3.407	0.000	0.000	0.000	0.000
481	B	62	ILE	0	-0.015	0.005	19.482	2.026	2.026	0.000	0.000	0.000	0.000
482	B	63	GLU	-1	-0.741	-0.874	14.087	79.305	79.305	0.000	0.000	0.000	0.000
483	B	64	ALA	0	-0.042	-0.018	15.106	4.979	4.979	0.000	0.000	0.000	0.000
484	B	65	ALA	0	0.021	-0.006	14.633	4.158	4.158	0.000	0.000	0.000	0.000
485	B	66	ALA	0	-0.005	0.006	15.594	1.511	1.511	0.000	0.000	0.000	0.000
486	B	67	ALA	0	-0.002	-0.004	11.062	3.868	3.868	0.000	0.000	0.000	0.000
487	B	68	VAL	0	-0.018	-0.004	10.720	7.965	7.965	0.000	0.000	0.000	0.000
488	B	69	ALA	0	0.042	0.036	11.542	3.117	3.117	0.000	0.000	0.000	0.000
489	B	70	ALA	0	0.024	0.035	10.194	1.354	1.354	0.000	0.000	0.000	0.000
490	B	71	GLU	-1	-0.817	-0.897	5.312	179.907	179.907	0.000	0.000	0.000	0.000
491	B	72	SER	0	-0.046	-0.020	7.320	5.373	5.373	0.000	0.000	0.000	0.000
492	B	73	SER	0	-0.017	-0.039	9.972	-6.579	-6.579	0.000	0.000	0.000	0.000
493	B	74	THR	0	-0.024	-0.024	9.879	-0.100	-0.100	0.000	0.000	0.000	0.000
494	B	75	GLY	0	-0.011	0.002	8.060	1.120	1.120	0.000	0.000	0.000	0.000
498	B	79	GLU	-1	-0.915	-0.943	6.631	89.573	89.573	0.000	0.000	0.000	0.000
499	B	80	VAL	0	0.002	-0.011	5.590	1.322	1.322	0.000	0.000	0.000	0.000
500	B	81	TRP	0	-0.003	-0.024	8.749	-8.352	-8.352	0.000	0.000	0.000	0.000
501	B	82	SER	0	-0.029	-0.047	9.279	-4.696	-4.696	0.000	0.000	0.000	0.000
502	B	83	ASN	0	0.051	0.011	9.654	0.922	0.922	0.000	0.000	0.000	0.000
503	B	84	GLN	0	-0.051	-0.023	12.318	-5.617	-5.617	0.000	0.000	0.000	0.000
504	B	85	LEU	0	-0.085	-0.034	13.879	-3.703	-3.703	0.000	0.000	0.000	0.000
505	B	86	THR	0	-0.075	-0.046	13.885	-2.360	-2.360	0.000	0.000	0.000	0.000
506	B	87	ASP	-1	-0.868	-0.931	16.745	53.719	53.719	0.000	0.000	0.000	0.000
507	B	88	ILE	0	0.036	0.005	11.649	0.727	0.727	0.000	0.000	0.000	0.000
508	B	89	ASP	-1	-0.834	-0.922	15.520	59.202	59.202	0.000	0.000	0.000	0.000
509	B	90	PHE	0	-0.063	-0.024	18.537	-1.161	-1.161	0.000	0.000	0.000	0.000
510	B	91	TYR	0	-0.026	-0.021	15.185	-0.283	-0.283	0.000	0.000	0.000	0.000
511	B	92	LYS	1	0.794	0.915	14.575	-59.817	-59.817	0.000	0.000	0.000	0.000
512	B	93	ALA	0	0.015	-0.001	14.846	-4.643	-4.643	0.000	0.000	0.000	0.000
513	B	94	LYS	1	0.817	0.918	16.549	-57.741	-57.741	0.000	0.000	0.000	0.000
514	B	95	VAL	0	0.006	-0.003	17.642	-1.570	-1.570	0.000	0.000	0.000	0.000
515	B	96	TYR	0	0.025	0.016	20.171	-1.106	-1.106	0.000	0.000	0.000	0.000
516	B	97	ALA	0	0.004	-0.001	23.443	-2.486	-2.486	0.000	0.000	0.000	0.000
517	B	98	ILE	0	-0.006	-0.001	21.694	2.181	2.181	0.000	0.000	0.000	0.000
518	B	99	THR	0	-0.036	-0.026	24.957	-2.025	-2.025	0.000	0.000	0.000	0.000
519	B	100	GLY	0	0.000	0.012	26.764	0.146	0.146	0.000	0.000	0.000	0.000
520	B	101	ASP	-1	-0.823	-0.910	23.272	49.614	49.614	0.000	0.000	0.000	0.000
521	B	102	ILE	0	-0.020	-0.007	22.263	2.543	2.543	0.000	0.000	0.000	0.000
522	B	103	ALA	0	-0.005	-0.001	19.132	-1.381	-1.381	0.000	0.000	0.000	0.000
523	B	104	TYR	0	-0.006	-0.008	20.801	0.662	0.662	0.000	0.000	0.000	0.000
524	B	105	ILE	0	-0.016	-0.008	15.932	-0.101	-0.101	0.000	0.000	0.000	0.000
525	B	106	ALA	0	-0.003	0.006	19.627	-1.067	-1.067	0.000	0.000	0.000	0.000
526	B	107	TYR	0	-0.010	-0.034	13.692	0.626	0.626	0.000	0.000	0.000	0.000
527	B	108	PRO	0	0.045	0.026	17.291	-2.797	-2.797	0.000	0.000	0.000	0.000
528	B	109	LEU	0	0.046	0.014	18.700	1.970	1.970	0.000	0.000	0.000	0.000
529	B	110	ASP	-1	-0.901	-0.959	18.970	53.622	53.622	0.000	0.000	0.000	0.000
530	B	111	LEU	0	-0.070	-0.040	13.700	2.252	2.252	0.000	0.000	0.000	0.000
531	B	112	PHE	0	-0.036	-0.014	14.679	4.506	4.506	0.000	0.000	0.000	0.000
532	B	113	GLU	-1	-0.790	-0.879	16.157	58.823	58.823	0.000	0.000	0.000	0.000
533	B	114	GLU	-1	-0.823	-0.916	17.850	51.482	51.482	0.000	0.000	0.000	0.000
534	B	115	ASN	0	-0.026	-0.008	21.013	0.489	0.489	0.000	0.000	0.000	0.000
535	B	116	SER	0	0.077	0.031	16.357	0.512	0.512	0.000	0.000	0.000	0.000
536	B	117	VAL	0	0.040	0.018	17.271	2.294	2.294	0.000	0.000	0.000	0.000
537	B	118	VAL	0	-0.017	0.010	13.501	2.737	2.737	0.000	0.000	0.000	0.000
538	B	119	ASN	0	0.031	0.022	12.496	2.307	2.307	0.000	0.000	0.000	0.000
539	B	120	ILE	0	-0.004	-0.006	12.762	4.147	4.147	0.000	0.000	0.000	0.000
540	B	121	MET	0	-0.044	-0.024	12.339	3.909	3.909	0.000	0.000	0.000	0.000
541	B	122	SER	0	0.006	0.003	9.052	3.624	3.624	0.000	0.000	0.000	0.000
542	B	123	SER	0	0.008	0.001	8.283	11.908	11.908	0.000	0.000	0.000	0.000
543	B	124	ILE	0	-0.068	-0.026	9.896	4.325	4.325	0.000	0.000	0.000	0.000
544	B	125	VAL	0	-0.018	-0.036	10.399	-0.877	-0.877	0.000	0.000	0.000	0.000
545	B	126	GLY	0	0.016	0.035	6.680	3.477	3.477	0.000	0.000	0.000	0.000
548	B	129	PHE	0	0.000	0.003	8.319	-4.846	-4.846	0.000	0.000	0.000	0.000
549	B	130	GLY	0	0.009	-0.003	6.219	-7.238	-7.238	0.000	0.000	0.000	0.000
550	B	131	PHE	0	0.021	0.029	5.316	4.331	4.331	0.000	0.000	0.000	0.000
551	B	132	LYS	1	0.759	0.869	8.629	-121.298	-121.298	0.000	0.000	0.000	0.000
552	B	133	ALA	0	0.006	0.015	10.763	-7.223	-7.223	0.000	0.000	0.000	0.000
553	B	134	VAL	0	0.010	0.002	11.800	-5.665	-5.665	0.000	0.000	0.000	0.000
554	B	135	GLY	0	-0.040	-0.023	12.975	3.533	3.533	0.000	0.000	0.000	0.000
555	B	136	ALA	0	-0.027	-0.014	14.832	0.265	0.265	0.000	0.000	0.000	0.000
556	B	137	LEU	0	0.002	0.006	12.152	-0.643	-0.643	0.000	0.000	0.000	0.000
557	B	138	ARG	1	0.903	0.964	15.638	-51.624	-51.624	0.000	0.000	0.000	0.000
558	B	139	LEU	0	-0.004	0.021	15.597	-0.921	-0.921	0.000	0.000	0.000	0.000
559	B	140	GLU	-1	-0.806	-0.892	17.687	48.755	48.755	0.000	0.000	0.000	0.000
560	B	141	ASP	-1	-0.773	-0.909	21.000	44.367	44.367	0.000	0.000	0.000	0.000
561	B	142	MET	0	-0.011	0.000	16.699	2.063	2.063	0.000	0.000	0.000	0.000
562	B	143	ARG	1	0.819	0.913	21.522	-47.433	-47.433	0.000	0.000	0.000	0.000
563	B	144	ILE	0	0.030	-0.001	21.385	1.369	1.369	0.000	0.000	0.000	0.000
564	B	145	PRO	0	0.035	0.035	22.535	-2.274	-2.274	0.000	0.000	0.000	0.000
565	B	146	LEU	0	0.062	0.018	25.731	0.120	0.120	0.000	0.000	0.000	0.000
566	B	147	ALA	0	-0.012	-0.014	26.422	-0.451	-0.451	0.000	0.000	0.000	0.000
567	B	148	LEU	0	0.052	0.030	19.947	-0.245	-0.245	0.000	0.000	0.000	0.000
568	B	149	VAL	0	0.008	0.018	24.533	-0.080	-0.080	0.000	0.000	0.000	0.000
569	B	150	LYS	1	0.896	0.938	26.704	-36.447	-36.447	0.000	0.000	0.000	0.000
570	B	151	THR	0	-0.071	-0.039	24.319	-0.294	-0.294	0.000	0.000	0.000	0.000
571	B	152	PHE	0	-0.011	-0.001	20.842	0.839	0.839	0.000	0.000	0.000	0.000
572	B	153	PRO	0	-0.038	-0.012	26.636	-1.317	-1.317	0.000	0.000	0.000	0.000
573	B	154	GLY	0	0.004	0.009	28.576	-1.376	-1.376	0.000	0.000	0.000	0.000
574	B	155	PRO	0	-0.062	-0.020	30.119	-0.272	-0.272	0.000	0.000	0.000	0.000
575	B	156	ARG	1	0.891	0.947	32.271	-31.777	-31.777	0.000	0.000	0.000	0.000
576	B	157	VAL	0	-0.062	-0.023	34.940	-1.118	-1.118	0.000	0.000	0.000	0.000
577	B	158	GLY	0	0.018	-0.001	35.832	-0.543	-0.543	0.000	0.000	0.000	0.000
578	B	159	ILE	0	-0.012	-0.019	36.753	-0.605	-0.605	0.000	0.000	0.000	0.000
579	B	160	TYR	0	0.009	-0.001	39.270	-0.714	-0.714	0.000	0.000	0.000	0.000
580	B	161	ASP	-1	-0.809	-0.904	40.747	28.353	28.353	0.000	0.000	0.000	0.000
581	B	162	GLU	-1	-0.797	-0.861	39.018	30.097	30.097	0.000	0.000	0.000	0.000
582	B	163	ARG	1	0.780	0.882	42.173	-27.889	-27.889	0.000	0.000	0.000	0.000
583	B	164	VAL	0	-0.013	-0.007	45.107	-0.712	-0.712	0.000	0.000	0.000	0.000
584	B	165	TRP	0	-0.089	-0.051	40.015	-0.444	-0.444	0.000	0.000	0.000	0.000
585	B	166	SER	0	-0.052	-0.027	44.962	-0.567	-0.567	0.000	0.000	0.000	0.000
586	B	167	ASN	0	-0.034	-0.020	47.031	-0.479	-0.479	0.000	0.000	0.000	0.000
587	B	168	LYS	1	0.804	0.909	46.258	-26.227	-26.227	0.000	0.000	0.000	0.000
588	B	169	TRP	0	0.017	0.001	46.610	0.843	0.843	0.000	0.000	0.000	0.000
589	B	170	ASP	-1	-0.945	-0.965	48.213	24.058	24.058	0.000	0.000	0.000	0.000
590	B	171	ARG	1	0.839	0.901	46.782	-25.561	-25.561	0.000	0.000	0.000	0.000
591	B	172	PRO	0	0.017	0.025	42.815	0.363	0.363	0.000	0.000	0.000	0.000
592	B	173	LEU	0	-0.050	-0.008	41.912	-0.697	-0.697	0.000	0.000	0.000	0.000
593	B	174	ILE	0	-0.026	-0.021	42.081	0.542	0.542	0.000	0.000	0.000	0.000
594	B	175	GLY	0	0.090	0.034	40.323	-0.262	-0.262	0.000	0.000	0.000	0.000
595	B	176	GLY	0	-0.006	-0.011	39.600	-0.279	-0.279	0.000	0.000	0.000	0.000
596	B	177	THR	0	0.095	0.009	34.764	-0.274	-0.274	0.000	0.000	0.000	0.000
597	B	178	VAL	0	-0.039	-0.010	37.751	-0.817	-0.817	0.000	0.000	0.000	0.000
598	B	179	LYS	1	0.836	0.917	34.745	-32.105	-32.105	0.000	0.000	0.000	0.000
599	B	180	PRO	0	0.040	0.032	38.464	-0.833	-0.833	0.000	0.000	0.000	0.000
600	B	181	LYS	1	0.756	0.876	30.706	-36.183	-36.183	0.000	0.000	0.000	0.000
601	B	182	LEU	0	-0.025	-0.023	30.860	0.248	0.248	0.000	0.000	0.000	0.000
602	B	183	GLY	0	0.062	0.030	35.511	-0.573	-0.573	0.000	0.000	0.000	0.000
603	B	184	LEU	0	-0.053	0.001	38.400	-0.899	-0.899	0.000	0.000	0.000	0.000
604	B	185	SER	0	0.063	0.036	40.111	0.452	0.452	0.000	0.000	0.000	0.000
605	B	186	PRO	0	0.053	0.014	40.361	-0.156	-0.156	0.000	0.000	0.000	0.000
606	B	187	LYS	1	0.970	1.001	42.438	-24.421	-24.421	0.000	0.000	0.000	0.000
607	B	188	ALA	0	0.025	0.028	44.496	-0.378	-0.378	0.000	0.000	0.000	0.000
608	B	189	TYR	0	0.081	0.025	36.721	-0.166	-0.166	0.000	0.000	0.000	0.000
609	B	190	SER	0	-0.044	-0.045	43.127	-0.272	-0.272	0.000	0.000	0.000	0.000
610	B	191	THR	0	-0.020	-0.013	45.558	-0.528	-0.528	0.000	0.000	0.000	0.000
611	B	192	ILE	0	-0.022	-0.010	43.424	-0.383	-0.383	0.000	0.000	0.000	0.000
612	B	193	ILE	0	0.009	0.001	41.168	-0.162	-0.162	0.000	0.000	0.000	0.000
613	B	194	TYR	0	-0.144	-0.149	45.024	-0.272	-0.272	0.000	0.000	0.000	0.000
614	B	195	GLU	-1	-0.856	-0.928	48.733	22.590	22.590	0.000	0.000	0.000	0.000
615	B	196	CYS	0	-0.059	-0.016	44.831	-0.077	-0.077	0.000	0.000	0.000	0.000
616	B	197	LEU	0	0.048	0.017	43.862	-0.172	-0.172	0.000	0.000	0.000	0.000
617	B	198	SER	0	0.002	-0.012	47.695	-0.375	-0.375	0.000	0.000	0.000	0.000
618	B	199	GLY	0	-0.098	-0.039	50.503	-0.430	-0.430	0.000	0.000	0.000	0.000
619	B	200	GLY	0	0.019	0.004	49.924	-0.299	-0.299	0.000	0.000	0.000	0.000
620	B	201	LEU	0	-0.037	0.008	43.175	0.124	0.124	0.000	0.000	0.000	0.000
621	B	202	ASP	-1	-0.746	-0.835	43.904	25.733	25.733	0.000	0.000	0.000	0.000
622	B	203	THR	0	-0.016	-0.019	39.357	-0.154	-0.154	0.000	0.000	0.000	0.000
623	B	204	SER	0	0.005	-0.011	40.674	-0.383	-0.383	0.000	0.000	0.000	0.000
624	B	205	KCX	-1	-0.448	-0.762	32.483	36.268	36.268	0.000	0.000	0.000	0.000
625	B	206	ASP	-1	-0.702	-0.848	34.037	31.776	31.776	0.000	0.000	0.000	0.000
626	B	207	ASP	0	0.223	0.059	33.111	0.319	0.319	0.000	0.000	0.000	0.000
627	B	208	GLU	0	0.130	-0.040	27.511	-0.013	-0.013	0.000	0.000	0.000	0.000
628	B	502	merge:B:AS	-1	-2.168	-1.368	27.296	36.296	36.296	0.000	0.000	0.000	0.000
629	B	209	ASN	0	-0.006	-0.007	27.855	0.073	0.073	0.000	0.000	0.000	0.000
630	B	210	MET	0	-0.074	-0.009	28.923	-0.321	-0.321	0.000	0.000	0.000	0.000
631	B	211	ASN	0	-0.026	0.007	27.143	1.664	1.664	0.000	0.000	0.000	0.000
632	B	212	SER	0	0.027	0.012	30.712	-1.822	-1.822	0.000	0.000	0.000	0.000
633	B	213	GLN	0	0.028	0.008	30.848	0.429	0.429	0.000	0.000	0.000	0.000
634	B	214	PRO	0	-0.032	-0.017	33.324	-0.958	-0.958	0.000	0.000	0.000	0.000
635	B	215	PHE	0	0.016	0.024	33.837	-0.943	-0.943	0.000	0.000	0.000	0.000
636	B	216	SER	0	-0.004	-0.021	36.770	-0.656	-0.656	0.000	0.000	0.000	0.000
637	B	217	ARG	1	0.851	0.938	33.260	-32.196	-32.196	0.000	0.000	0.000	0.000
638	B	218	TRP	0	0.043	0.007	34.142	-0.892	-0.892	0.000	0.000	0.000	0.000
639	B	219	ARG	1	0.951	0.982	36.290	-31.241	-31.241	0.000	0.000	0.000	0.000
640	B	220	ASP	-1	-0.880	-0.938	39.267	27.595	27.595	0.000	0.000	0.000	0.000
641	B	221	ARG	1	0.778	0.879	33.848	-33.367	-33.367	0.000	0.000	0.000	0.000
642	B	222	PHE	0	0.019	0.002	33.994	-0.397	-0.397	0.000	0.000	0.000	0.000
643	B	223	MET	0	0.004	0.015	39.995	-0.442	-0.442	0.000	0.000	0.000	0.000
644	B	224	TYR	0	-0.036	-0.029	43.530	-0.665	-0.665	0.000	0.000	0.000	0.000
645	B	225	ALA	0	-0.007	-0.008	41.390	-0.489	-0.489	0.000	0.000	0.000	0.000
646	B	226	GLN	0	0.056	0.020	42.832	0.412	0.412	0.000	0.000	0.000	0.000
647	B	227	GLU	-1	-0.941	-0.960	44.520	24.005	24.005	0.000	0.000	0.000	0.000
648	B	228	ALA	0	-0.061	-0.029	46.162	-0.545	-0.545	0.000	0.000	0.000	0.000
649	B	229	VAL	0	-0.005	0.001	43.455	-0.371	-0.371	0.000	0.000	0.000	0.000
650	B	230	ASP	-1	-0.843	-0.919	46.856	24.987	24.987	0.000	0.000	0.000	0.000
651	B	231	ARG	1	0.804	0.911	49.685	-22.740	-22.740	0.000	0.000	0.000	0.000
652	B	232	ALA	0	0.036	0.004	49.364	-0.400	-0.400	0.000	0.000	0.000	0.000
653	B	233	ALA	0	0.002	0.010	49.462	-0.280	-0.280	0.000	0.000	0.000	0.000
654	B	234	ALA	0	-0.017	-0.006	51.387	-0.401	-0.401	0.000	0.000	0.000	0.000
655	B	235	GLU	-1	-0.819	-0.838	54.646	21.423	21.423	0.000	0.000	0.000	0.000
656	B	236	THR	0	-0.051	-0.033	52.764	-0.197	-0.197	0.000	0.000	0.000	0.000
657	B	237	ASN	0	-0.087	-0.034	55.297	-0.093	-0.093	0.000	0.000	0.000	0.000
658	B	238	GLU	-1	-0.800	-0.883	50.050	23.981	23.981	0.000	0.000	0.000	0.000
659	B	239	PHE	0	0.011	0.007	43.758	0.146	0.146	0.000	0.000	0.000	0.000
660	B	240	LYS	1	0.833	0.908	46.331	-24.512	-24.512	0.000	0.000	0.000	0.000
661	B	241	GLY	0	0.015	0.003	42.568	0.068	0.068	0.000	0.000	0.000	0.000
662	B	242	HIS	0	0.018	0.012	38.138	-0.532	-0.532	0.000	0.000	0.000	0.000
663	B	243	TRP	0	-0.019	-0.017	34.952	0.289	0.289	0.000	0.000	0.000	0.000
664	B	244	HIS	0	0.016	0.001	35.589	0.853	0.853	0.000	0.000	0.000	0.000
665	B	245	ASN	0	0.017	0.019	29.050	1.206	1.206	0.000	0.000	0.000	0.000
666	B	246	VAL	0	-0.040	-0.015	29.493	-0.277	-0.277	0.000	0.000	0.000	0.000
667	B	247	THR	0	0.004	0.019	24.836	1.290	1.290	0.000	0.000	0.000	0.000
668	B	248	ALA	0	-0.002	-0.005	25.760	-1.223	-1.223	0.000	0.000	0.000	0.000
669	B	249	GLY	0	-0.009	-0.004	23.138	1.565	1.565	0.000	0.000	0.000	0.000
670	B	250	SER	0	-0.030	-0.012	22.271	1.418	1.418	0.000	0.000	0.000	0.000
671	B	251	THR	0	0.019	0.011	22.383	-1.054	-1.054	0.000	0.000	0.000	0.000
672	B	252	GLU	-1	-0.873	-0.929	24.798	38.424	38.424	0.000	0.000	0.000	0.000
673	B	253	GLU	-1	-0.833	-0.900	27.156	35.188	35.188	0.000	0.000	0.000	0.000
674	B	254	SER	0	-0.014	-0.034	26.875	-0.799	-0.799	0.000	0.000	0.000	0.000
675	B	255	LEU	0	0.013	-0.002	28.016	-1.296	-1.296	0.000	0.000	0.000	0.000
676	B	256	ARG	1	0.799	0.900	30.340	-38.301	-38.301	0.000	0.000	0.000	0.000
677	B	257	ARG	1	0.717	0.811	30.047	-38.581	-38.581	0.000	0.000	0.000	0.000
678	B	258	LEU	0	0.008	-0.004	31.877	-0.886	-0.886	0.000	0.000	0.000	0.000
679	B	259	GLU	-1	-0.811	-0.897	34.164	31.866	31.866	0.000	0.000	0.000	0.000
680	B	260	TYR	0	0.007	0.007	36.784	-0.960	-0.960	0.000	0.000	0.000	0.000
681	B	261	ALA	0	-0.005	-0.011	37.055	-0.821	-0.821	0.000	0.000	0.000	0.000
682	B	262	TYR	0	0.013	-0.010	38.368	-0.865	-0.865	0.000	0.000	0.000	0.000
683	B	263	GLU	-1	-0.967	-0.981	40.109	28.387	28.387	0.000	0.000	0.000	0.000
684	B	264	LEU	0	-0.115	-0.048	41.062	-0.771	-0.771	0.000	0.000	0.000	0.000
685	B	265	GLY	0	0.013	0.018	43.539	-0.596	-0.596	0.000	0.000	0.000	0.000
686	B	266	SER	0	-0.044	-0.012	39.173	-0.309	-0.309	0.000	0.000	0.000	0.000
687	B	267	ARG	1	0.902	0.944	41.070	-27.793	-27.793	0.000	0.000	0.000	0.000
688	B	268	MET	0	-0.039	-0.001	37.360	0.280	0.280	0.000	0.000	0.000	0.000
689	B	269	VAL	0	-0.013	0.006	32.741	-0.351	-0.351	0.000	0.000	0.000	0.000
690	B	270	MET	0	-0.026	0.005	30.229	-0.063	-0.063	0.000	0.000	0.000	0.000
691	B	271	PHE	0	0.024	0.002	23.975	0.263	0.263	0.000	0.000	0.000	0.000
692	B	272	ASP	-1	-0.755	-0.882	24.236	42.016	42.016	0.000	0.000	0.000	0.000
693	B	273	PHE	0	0.000	-0.010	22.190	1.749	1.749	0.000	0.000	0.000	0.000
694	B	274	LEU	0	-0.046	-0.021	18.257	2.292	2.292	0.000	0.000	0.000	0.000
695	B	275	THR	0	-0.030	-0.018	18.322	2.637	2.637	0.000	0.000	0.000	0.000
696	B	276	ALA	0	0.045	0.031	18.886	1.903	1.903	0.000	0.000	0.000	0.000
697	B	277	GLY	0	0.012	-0.002	18.097	2.332	2.332	0.000	0.000	0.000	0.000
698	B	278	PHE	0	0.045	-0.001	17.755	-2.534	-2.534	0.000	0.000	0.000	0.000
699	B	279	ALA	0	0.016	0.027	17.587	-1.910	-1.910	0.000	0.000	0.000	0.000
700	B	280	ALA	0	0.021	0.001	19.630	-2.299	-2.299	0.000	0.000	0.000	0.000
701	B	281	SER	0	-0.013	-0.018	22.107	-2.649	-2.649	0.000	0.000	0.000	0.000
702	B	282	ALA	0	-0.013	0.012	22.606	-1.997	-1.997	0.000	0.000	0.000	0.000
703	B	283	ASP	-1	-0.766	-0.878	24.168	45.112	45.112	0.000	0.000	0.000	0.000
704	B	284	ILE	0	-0.017	-0.010	26.115	-1.888	-1.888	0.000	0.000	0.000	0.000
705	B	285	PHE	0	-0.019	-0.026	25.678	-1.337	-1.337	0.000	0.000	0.000	0.000
706	B	286	LYS	1	0.948	0.985	28.080	-40.732	-40.732	0.000	0.000	0.000	0.000
707	B	287	ARG	1	0.824	0.904	30.182	-34.568	-34.568	0.000	0.000	0.000	0.000
708	B	288	ALA	0	0.037	0.011	32.208	-1.209	-1.209	0.000	0.000	0.000	0.000
709	B	289	GLY	0	-0.020	-0.027	33.317	-1.120	-1.120	0.000	0.000	0.000	0.000
710	B	290	GLU	-1	-0.921	-0.959	33.430	34.166	34.166	0.000	0.000	0.000	0.000
711	B	291	LEU	0	-0.033	-0.006	35.768	-0.883	-0.883	0.000	0.000	0.000	0.000
712	B	292	ASP	-1	-0.899	-0.908	38.413	28.727	28.727	0.000	0.000	0.000	0.000
713	B	293	MET	0	-0.094	-0.045	36.548	-0.585	-0.585	0.000	0.000	0.000	0.000
714	B	294	ILE	0	-0.018	-0.004	35.707	0.717	0.717	0.000	0.000	0.000	0.000
715	B	295	VAL	0	0.013	0.004	29.724	-0.009	-0.009	0.000	0.000	0.000	0.000
716	B	296	HIS	0	-0.034	-0.027	31.902	0.085	0.085	0.000	0.000	0.000	0.000
717	B	297	CYS	0	-0.034	0.000	26.933	0.966	0.966	0.000	0.000	0.000	0.000
718	B	298	HIS	0	0.532	0.396	27.213	0.931	0.931	0.000	0.000	0.000	0.000
719	B	299	ARG	1	0.755	0.837	24.067	-39.946	-39.946	0.000	0.000	0.000	0.000
720	B	300	ALA	0	0.062	0.026	23.419	1.498	1.498	0.000	0.000	0.000	0.000
721	B	301	MET	0	-0.013	-0.010	16.913	2.529	2.529	0.000	0.000	0.000	0.000
722	B	302	HIS	1	0.925	0.963	19.484	-44.459	-44.459	0.000	0.000	0.000	0.000
723	B	303	ALA	0	-0.057	-0.012	19.965	1.659	1.659	0.000	0.000	0.000	0.000
724	B	304	VAL	0	0.006	0.007	15.994	0.277	0.277	0.000	0.000	0.000	0.000
725	B	305	PHE	0	0.017	-0.008	15.349	2.578	2.578	0.000	0.000	0.000	0.000
726	B	306	THR	0	0.022	0.018	17.365	0.004	0.004	0.000	0.000	0.000	0.000
727	B	307	ARG	1	0.756	0.894	20.696	-44.509	-44.509	0.000	0.000	0.000	0.000
728	B	308	GLN	0	-0.021	-0.032	20.206	-2.306	-2.306	0.000	0.000	0.000	0.000
729	B	309	ALA	0	0.028	0.009	21.018	1.653	1.653	0.000	0.000	0.000	0.000
730	B	310	ASN	0	-0.002	-0.001	18.801	-0.814	-0.814	0.000	0.000	0.000	0.000
731	B	311	HIS	0	-0.035	-0.032	12.050	-1.247	-1.247	0.000	0.000	0.000	0.000
732	B	312	GLY	0	0.006	0.027	15.159	-1.876	-1.876	0.000	0.000	0.000	0.000
733	B	313	ILE	0	-0.001	-0.004	13.836	1.006	1.006	0.000	0.000	0.000	0.000
734	B	314	ALA	0	0.024	0.019	17.753	-2.027	-2.027	0.000	0.000	0.000	0.000
735	B	315	MET	0	0.047	0.030	21.358	1.067	1.067	0.000	0.000	0.000	0.000
736	B	316	ARG	1	0.863	0.923	23.445	-46.111	-46.111	0.000	0.000	0.000	0.000
737	B	317	VAL	0	0.020	0.015	18.582	-0.818	-0.818	0.000	0.000	0.000	0.000
738	B	318	VAL	0	-0.005	-0.001	19.544	0.305	0.305	0.000	0.000	0.000	0.000
739	B	319	ALA	0	0.007	0.005	21.709	-0.628	-0.628	0.000	0.000	0.000	0.000
740	B	320	LYS	1	0.851	0.931	23.289	-46.943	-46.943	0.000	0.000	0.000	0.000
741	B	321	TRP	0	0.012	-0.002	15.568	0.063	0.063	0.000	0.000	0.000	0.000
742	B	322	LEU	0	0.005	0.016	22.262	-0.307	-0.307	0.000	0.000	0.000	0.000
743	B	323	ARG	1	0.828	0.899	24.666	-37.802	-37.802	0.000	0.000	0.000	0.000
744	B	324	LEU	0	-0.028	-0.020	23.463	-1.037	-1.037	0.000	0.000	0.000	0.000
745	B	325	THR	0	-0.022	-0.026	22.810	-0.008	-0.008	0.000	0.000	0.000	0.000
746	B	326	GLY	0	0.002	0.011	25.169	-0.591	-0.591	0.000	0.000	0.000	0.000
747	B	327	GLY	0	0.041	0.015	27.831	-1.050	-1.050	0.000	0.000	0.000	0.000
748	B	328	ASP	-1	-0.751	-0.868	29.271	34.236	34.236	0.000	0.000	0.000	0.000
749	B	329	HIS	1	0.757	0.864	32.090	-33.947	-33.947	0.000	0.000	0.000	0.000
750	B	330	LEU	0	0.005	0.006	26.146	1.322	1.322	0.000	0.000	0.000	0.000
751	B	331	HIS	0	0.112	0.088	28.860	-1.208	-1.208	0.000	0.000	0.000	0.000
752	B	332	THR	0	-0.013	-0.052	28.724	1.433	1.433	0.000	0.000	0.000	0.000
753	B	333	GLY	0	0.030	0.028	30.685	0.451	0.451	0.000	0.000	0.000	0.000
754	B	334	THR	0	0.023	0.052	31.835	-0.879	-0.879	0.000	0.000	0.000	0.000
755	B	335	VAL	0	0.001	0.036	33.952	-0.926	-0.926	0.000	0.000	0.000	0.000
756	B	336	VAL	0	0.005	-0.015	35.290	0.100	0.100	0.000	0.000	0.000	0.000
757	B	337	GLY	0	0.015	0.014	36.424	-0.622	-0.622	0.000	0.000	0.000	0.000
758	B	338	LYS	1	0.791	0.908	33.011	-33.498	-33.498	0.000	0.000	0.000	0.000
759	B	339	LEU	0	-0.031	-0.020	28.773	0.581	0.581	0.000	0.000	0.000	0.000
760	B	340	GLU	-1	-1.001	-1.016	27.275	40.944	40.944	0.000	0.000	0.000	0.000
761	B	341	GLY	0	0.052	0.022	29.494	0.708	0.708	0.000	0.000	0.000	0.000
762	B	342	SER	0	-0.039	0.001	30.655	-1.454	-1.454	0.000	0.000	0.000	0.000
763	B	343	TRP	0	0.063	0.010	32.633	0.342	0.342	0.000	0.000	0.000	0.000
764	B	344	ASN	0	0.012	-0.017	34.342	-0.410	-0.410	0.000	0.000	0.000	0.000
765	B	345	ASP	-1	-0.878	-0.929	28.029	42.773	42.773	0.000	0.000	0.000	0.000
766	B	346	THR	0	-0.010	-0.018	30.827	0.630	0.630	0.000	0.000	0.000	0.000
767	B	347	LEU	0	-0.025	-0.007	32.426	-0.213	-0.213	0.000	0.000	0.000	0.000
768	B	348	GLY	0	0.049	0.040	31.174	-0.225	-0.225	0.000	0.000	0.000	0.000
769	B	349	ILE	0	-0.042	-0.035	27.470	0.674	0.674	0.000	0.000	0.000	0.000
770	B	350	ILE	0	-0.006	0.000	29.979	0.151	0.151	0.000	0.000	0.000	0.000
771	B	351	ASP	-1	-0.875	-0.938	33.355	33.194	33.194	0.000	0.000	0.000	0.000
772	B	352	ILE	0	-0.080	-0.045	27.007	0.235	0.235	0.000	0.000	0.000	0.000
773	B	353	LEU	0	-0.040	-0.008	28.610	0.399	0.399	0.000	0.000	0.000	0.000
774	B	354	ARG	1	0.873	0.915	31.672	-31.878	-31.878	0.000	0.000	0.000	0.000
775	B	355	GLU	-1	-0.901	-0.921	34.482	30.740	30.740	0.000	0.000	0.000	0.000
776	B	356	ARG	1	0.906	0.965	34.087	-31.848	-31.848	0.000	0.000	0.000	0.000
777	B	357	TYR	0	-0.057	-0.063	33.814	1.059	1.059	0.000	0.000	0.000	0.000
778	B	358	VAL	0	0.034	0.038	31.014	-0.798	-0.798	0.000	0.000	0.000	0.000
779	B	359	LYS	1	0.834	0.899	32.679	-33.547	-33.547	0.000	0.000	0.000	0.000
780	B	360	ALA	0	0.016	0.005	31.226	0.235	0.235	0.000	0.000	0.000	0.000
781	B	361	ASN	0	-0.005	-0.023	31.638	-1.199	-1.199	0.000	0.000	0.000	0.000
782	B	362	LEU	0	0.009	0.006	28.810	0.397	0.397	0.000	0.000	0.000	0.000
783	B	363	GLU	-1	-0.974	-0.963	31.650	32.537	32.537	0.000	0.000	0.000	0.000
784	B	364	HIS	0	0.013	-0.004	32.670	0.377	0.377	0.000	0.000	0.000	0.000
785	B	365	GLY	0	-0.015	-0.008	28.650	0.798	0.798	0.000	0.000	0.000	0.000
786	B	366	LEU	0	-0.035	-0.017	27.248	1.902	1.902	0.000	0.000	0.000	0.000
787	B	367	TYR	0	-0.004	-0.020	25.438	-0.948	-0.948	0.000	0.000	0.000	0.000
788	B	368	PHE	0	-0.030	-0.020	22.854	-0.233	-0.233	0.000	0.000	0.000	0.000
789	B	369	ASP	-1	-0.743	-0.838	28.281	35.770	35.770	0.000	0.000	0.000	0.000
790	B	370	GLN	0	-0.046	-0.026	25.893	3.032	3.032	0.000	0.000	0.000	0.000
791	B	371	ASP	-1	-0.831	-0.910	29.494	34.767	34.767	0.000	0.000	0.000	0.000
792	B	372	PHE	0	0.061	0.020	27.701	1.653	1.653	0.000	0.000	0.000	0.000
793	B	373	GLY	0	-0.036	-0.027	31.261	-0.169	-0.169	0.000	0.000	0.000	0.000
794	B	374	GLY	0	-0.146	-0.080	33.258	-0.430	-0.430	0.000	0.000	0.000	0.000
795	B	375	LEU	0	0.010	0.025	29.138	-0.695	-0.695	0.000	0.000	0.000	0.000
796	B	376	LYS	1	0.830	0.896	33.545	-31.894	-31.894	0.000	0.000	0.000	0.000
797	B	377	ALA	0	0.000	0.016	33.216	1.066	1.066	0.000	0.000	0.000	0.000
798	B	378	SER	0	-0.007	-0.021	31.054	-0.176	-0.176	0.000	0.000	0.000	0.000
799	B	379	TRP	0	-0.019	0.000	33.380	-0.142	-0.142	0.000	0.000	0.000	0.000
800	B	380	PRO	0	-0.013	-0.005	33.259	0.922	0.922	0.000	0.000	0.000	0.000
801	B	381	VAL	0	-0.005	0.013	32.805	-1.121	-1.121	0.000	0.000	0.000	0.000
802	B	382	ALA	0	0.010	0.021	33.256	1.028	1.028	0.000	0.000	0.000	0.000
803	B	383	SER	0	0.029	-0.019	33.395	-1.210	-1.210	0.000	0.000	0.000	0.000
804	B	384	GLY	0	0.077	0.036	33.696	0.879	0.879	0.000	0.000	0.000	0.000
805	B	385	GLY	0	-0.033	-0.028	35.129	0.090	0.090	0.000	0.000	0.000	0.000
806	B	386	ILE	0	-0.051	-0.020	37.753	-0.409	-0.409	0.000	0.000	0.000	0.000
807	B	387	HIS	0	0.032	-0.010	40.307	-0.569	-0.569	0.000	0.000	0.000	0.000
808	B	388	VAL	0	0.030	0.010	44.022	0.052	0.052	0.000	0.000	0.000	0.000
809	B	389	HIS	0	-0.055	-0.042	46.566	-0.108	-0.108	0.000	0.000	0.000	0.000
810	B	390	HIS	0	0.016	0.031	41.429	-0.039	-0.039	0.000	0.000	0.000	0.000
811	B	391	VAL	0	0.012	0.014	43.600	0.408	0.408	0.000	0.000	0.000	0.000
812	B	392	PRO	0	-0.040	-0.028	45.283	0.152	0.152	0.000	0.000	0.000	0.000
813	B	393	ASP	-1	-0.853	-0.930	42.097	27.864	27.864	0.000	0.000	0.000	0.000
814	B	394	LEU	0	-0.035	-0.012	38.800	0.529	0.529	0.000	0.000	0.000	0.000
815	B	395	LEU	0	0.022	0.014	41.418	0.469	0.469	0.000	0.000	0.000	0.000
816	B	396	LYS	1	0.941	0.974	43.567	-27.278	-27.278	0.000	0.000	0.000	0.000
817	B	397	ILE	0	-0.074	-0.022	37.088	0.235	0.235	0.000	0.000	0.000	0.000
818	B	398	TYR	0	-0.010	-0.022	34.507	0.717	0.717	0.000	0.000	0.000	0.000
819	B	399	GLY	0	-0.003	0.007	39.945	0.050	0.050	0.000	0.000	0.000	0.000
820	B	400	ASN	0	0.051	-0.002	42.950	0.195	0.195	0.000	0.000	0.000	0.000
821	B	401	ASP	-1	-0.876	-0.926	39.943	28.660	28.660	0.000	0.000	0.000	0.000
822	B	402	ALA	0	0.002	-0.017	38.324	1.027	1.027	0.000	0.000	0.000	0.000
823	B	403	PHE	0	0.030	0.019	37.163	-0.707	-0.707	0.000	0.000	0.000	0.000
824	B	404	PHE	0	-0.029	-0.015	37.937	0.577	0.577	0.000	0.000	0.000	0.000
825	B	405	LEU	0	-0.008	0.000	35.197	-0.606	-0.606	0.000	0.000	0.000	0.000
826	B	406	PHE	0	-0.019	-0.018	38.772	0.265	0.265	0.000	0.000	0.000	0.000
827	B	407	GLY	0	0.049	0.026	38.885	-0.475	-0.475	0.000	0.000	0.000	0.000
828	B	408	GLY	0	0.018	-0.017	39.408	-0.820	-0.820	0.000	0.000	0.000	0.000
829	B	409	GLY	0	-0.020	-0.008	41.325	-0.686	-0.686	0.000	0.000	0.000	0.000
830	B	410	THR	0	-0.041	-0.025	43.324	-0.868	-0.868	0.000	0.000	0.000	0.000
831	B	411	HIS	0	0.049	0.040	41.541	-1.300	-1.300	0.000	0.000	0.000	0.000
832	B	412	GLY	0	0.054	0.029	44.829	-0.273	-0.273	0.000	0.000	0.000	0.000
833	B	413	HIS	0	-0.042	-0.011	45.945	-0.363	-0.363	0.000	0.000	0.000	0.000
834	B	414	PRO	0	-0.028	-0.020	49.328	-0.041	-0.041	0.000	0.000	0.000	0.000
835	B	415	ASP	-1	-0.861	-0.928	52.246	21.363	21.363	0.000	0.000	0.000	0.000
836	B	416	GLY	0	0.007	0.011	50.127	-0.195	-0.195	0.000	0.000	0.000	0.000
837	B	417	SER	0	0.011	-0.046	45.878	-0.090	-0.090	0.000	0.000	0.000	0.000
838	B	418	ARG	1	0.910	0.980	48.504	-22.149	-22.149	0.000	0.000	0.000	0.000
839	B	419	ALA	0	0.028	0.011	51.326	-0.040	-0.040	0.000	0.000	0.000	0.000
840	B	420	GLY	0	0.030	0.008	48.481	-0.014	-0.014	0.000	0.000	0.000	0.000
841	B	421	ALA	0	-0.033	-0.003	47.757	0.225	0.225	0.000	0.000	0.000	0.000
842	B	422	ILE	0	0.006	0.014	48.729	0.001	0.001	0.000	0.000	0.000	0.000
843	B	423	ALA	0	-0.067	-0.026	50.425	-0.127	-0.127	0.000	0.000	0.000	0.000
844	B	424	ASN	0	-0.008	-0.018	45.749	-0.203	-0.203	0.000	0.000	0.000	0.000
845	B	425	ARG	1	0.754	0.858	48.206	-23.796	-23.796	0.000	0.000	0.000	0.000
846	B	426	ALA	0	0.019	0.009	49.703	-0.098	-0.098	0.000	0.000	0.000	0.000
847	B	427	ALA	0	-0.041	-0.030	49.064	-0.191	-0.191	0.000	0.000	0.000	0.000
848	B	428	VAL	0	0.013	0.005	45.579	-0.004	-0.004	0.000	0.000	0.000	0.000
849	B	429	GLU	-1	-0.856	-0.928	48.672	23.336	23.336	0.000	0.000	0.000	0.000
850	B	430	ALA	0	-0.041	-0.016	51.694	-0.254	-0.254	0.000	0.000	0.000	0.000
851	B	431	VAL	0	-0.023	-0.024	48.694	-0.212	-0.212	0.000	0.000	0.000	0.000
852	B	432	SER	0	-0.022	-0.011	48.938	0.152	0.152	0.000	0.000	0.000	0.000
853	B	433	ALA	0	-0.044	0.001	50.438	-0.097	-0.097	0.000	0.000	0.000	0.000
854	B	434	GLY	0	0.001	-0.002	53.876	-0.260	-0.260	0.000	0.000	0.000	0.000
855	B	435	GLN	0	-0.084	-0.033	55.053	-0.136	-0.136	0.000	0.000	0.000	0.000
856	B	436	THR	0	0.015	0.014	54.158	0.576	0.576	0.000	0.000	0.000	0.000
857	B	437	LEU	0	0.093	0.036	49.722	-0.317	-0.317	0.000	0.000	0.000	0.000
858	B	438	GLN	0	0.051	0.019	53.780	-0.419	-0.419	0.000	0.000	0.000	0.000
859	B	439	GLN	0	-0.033	-0.019	57.291	-0.191	-0.191	0.000	0.000	0.000	0.000
860	B	440	ALA	0	0.078	0.039	55.358	-0.334	-0.334	0.000	0.000	0.000	0.000
861	B	441	ALA	0	-0.009	-0.009	56.165	-0.225	-0.225	0.000	0.000	0.000	0.000
862	B	442	ARG	1	0.847	0.916	57.559	-19.423	-19.423	0.000	0.000	0.000	0.000
863	B	443	SER	0	0.008	0.006	60.406	-0.452	-0.452	0.000	0.000	0.000	0.000
864	B	444	CYS	0	-0.007	0.028	56.298	-0.033	-0.033	0.000	0.000	0.000	0.000
865	B	445	PRO	0	0.005	-0.022	57.526	0.213	0.213	0.000	0.000	0.000	0.000
866	B	446	GLU	-1	-0.816	-0.911	54.049	21.404	21.404	0.000	0.000	0.000	0.000
867	B	447	LEU	0	0.053	0.022	51.636	0.350	0.350	0.000	0.000	0.000	0.000
868	B	448	ARG	1	0.870	0.937	53.592	-20.079	-20.079	0.000	0.000	0.000	0.000
869	B	449	LYS	1	0.868	0.942	54.384	-21.229	-21.229	0.000	0.000	0.000	0.000
870	B	450	SER	0	0.048	0.023	49.368	0.126	0.126	0.000	0.000	0.000	0.000
871	B	451	LEU	0	-0.057	-0.033	50.276	0.266	0.266	0.000	0.000	0.000	0.000
872	B	452	GLU	-1	-0.955	-0.965	51.575	21.401	21.401	0.000	0.000	0.000	0.000
873	B	453	LEU	0	-0.037	0.008	48.376	0.076	0.076	0.000	0.000	0.000	0.000
874	B	454	TRP	0	-0.016	-0.030	45.539	0.188	0.188	0.000	0.000	0.000	0.000
875	B	455	ALA	0	-0.010	0.003	47.534	0.417	0.417	0.000	0.000	0.000	0.000
876	B	456	ASP	-1	-0.934	-0.967	48.384	24.028	24.028	0.000	0.000	0.000	0.000
877	B	457	VAL	0	-0.071	-0.017	42.468	0.454	0.454	0.000	0.000	0.000	0.000
878	B	458	LYS	1	0.945	0.965	42.631	-25.712	-25.712	0.000	0.000	0.000	0.000
879	B	459	PHE	0	0.011	0.014	37.132	0.339	0.339	0.000	0.000	0.000	0.000
880	B	460	GLU	-1	-0.920	-0.959	36.300	29.966	29.966	0.000	0.000	0.000	0.000
881	B	461	VAL	0	0.006	0.009	36.998	0.631	0.631	0.000	0.000	0.000	0.000
882	B	462	VAL	0	-0.004	0.008	33.121	-0.428	-0.428	0.000	0.000	0.000	0.000
883	B	463	GLN	0	0.048	0.030	34.933	0.822	0.822	0.000	0.000	0.000	0.000
885	B	501	CAP	-4	-3.259	-3.695	28.450	140.902	140.902	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #884(A:501:CAP)