FMO DATABASE

FMODB ID: R58L8

Calculation Name: 2V63-ABIJ-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 2V63

Chain ID: ABIJ

ChEMBL ID:

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	-43814885.785359
FMO2-HF: Nuclear repulsion	43326549.465638
FMO2-HF: Total energy	-488336.31972
FMO2-MP2: Total energy	-489729.556147

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.
-889.778	-902.516	185.881	-89.393	-83.749	-0.718

Interactive mode: IFIE and PIEDA for fragment #1214(A:476:CAP)

Summations of interaction energy for fragment #1214(A:476: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.
-889.778	-902.516	185.881	-89.393	-83.749	0.718

Interaction energy analysis for fragmet #1214(A:476:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.183 / q_NPA : -3.581

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].
165	A	173	THR	0	0.080	0.027	2.191	-16.763	-13.536	2.465	-2.423	-3.269	-0.004
166	A	174	ILE	0	-0.010	-0.010	4.328	6.590	6.773	-0.001	-0.020	-0.163	0.000
167	A	175	LYS	1	0.828	0.909	2.108	-227.556	-224.326	7.217	-4.436	-6.011	0.063
169	A	177	LYS	1	0.771	0.888	4.277	-160.951	-160.564	-0.001	-0.132	-0.254	0.000
193	A	201	KCX	-1	-0.519	-0.799	1.659	182.943	176.505	23.802	-9.416	-7.948	-0.096
195	A	203	ASP	0	0.186	0.032	4.440	5.825	5.978	-0.001	-0.030	-0.122	0.000
196	A	204	GLU	0	0.179	-0.022	4.090	-16.891	-16.561	-0.001	-0.060	-0.269	0.000
287	A	294	HIS	0	0.682	0.597	1.857	-2.824	-4.477	8.580	-2.998	-3.929	0.012
288	A	295	ARG	1	0.778	0.856	1.744	-276.777	-280.350	27.589	-14.187	-9.828	0.187
289	A	296	ALA	0	0.028	0.013	5.067	-0.248	-0.174	-0.001	-0.009	-0.064	0.000
291	A	298	HIS	1	0.827	0.883	3.323	-177.240	-175.125	0.077	-1.098	-1.095	0.010
320	A	327	HIS	0	0.004	0.013	1.814	-56.399	-54.839	12.314	-7.176	-6.697	0.090
321	A	328	SER	0	0.012	-0.003	4.731	-6.942	-6.791	-0.001	-0.021	-0.129	0.000
322	A	329	GLY	0	0.031	0.018	3.383	-10.594	-9.208	0.062	-0.741	-0.708	0.005
323	A	330	THR	0	0.013	-0.002	4.338	-22.272	-22.032	0.001	-0.054	-0.187	0.000
327	A	334	LYS	1	0.773	0.873	1.889	-270.044	-269.914	10.541	-5.675	-4.995	0.074
328	A	335	LEU	0	-0.017	-0.002	2.505	-20.791	-17.591	2.547	-2.240	-3.507	0.022
329	A	336	GLU	-1	-0.790	-0.895	5.635	83.380	83.432	-0.001	-0.001	-0.051	0.000
371	A	378	ALA	0	0.034	0.029	4.759	19.937	20.136	-0.001	-0.006	-0.192	0.000
372	A	379	SER	0	0.003	-0.023	2.168	-29.553	-22.760	4.236	-5.121	-5.908	0.031
373	A	380	GLY	0	0.069	0.033	2.099	7.124	9.809	7.141	-5.078	-4.748	0.023
374	A	381	GLY	0	-0.037	-0.034	1.773	-44.622	-52.572	12.943	-1.140	-3.853	0.058
375	A	382	ILE	0	-0.047	-0.007	3.773	-30.199	-29.418	0.026	-0.340	-0.467	0.004
394	A	401	GLN	0	0.037	-0.005	3.927	-23.215	-22.993	-0.001	-0.025	-0.195	0.000
395	A	402	PHE	0	0.025	0.001	3.680	18.416	19.233	0.018	-0.285	-0.550	0.001
396	A	403	GLY	0	0.048	0.028	1.906	-39.189	-39.991	9.790	-5.305	-3.684	0.066
397	A	404	GLY	0	0.038	-0.009	1.756	-52.298	-60.063	14.600	-2.991	-3.844	0.061
398	A	405	GLY	0	-0.027	-0.013	3.642	-30.044	-29.336	0.045	-0.298	-0.456	0.005
524	B	65	THR	0	-0.043	-0.073	1.489	-12.652	-31.581	37.725	-14.503	-4.291	0.082
525	B	66	TRP	0	0.012	0.013	2.416	-49.705	-47.092	2.744	-2.198	-3.159	0.029
526	B	67	THR	0	0.009	0.011	5.144	-21.724	-21.633	-0.001	-0.002	-0.088	0.000
582	B	123	ASN	0	0.101	0.022	2.731	4.807	7.747	1.429	-1.379	-2.989	-0.005
583	B	124	VAL	0	0.018	0.014	5.021	4.406	4.511	-0.001	-0.005	-0.099	0.000
1	A	9	ALA	0	-0.012	-0.017	51.450	-0.075	-0.075	0.000	0.000	0.000	0.000
2	A	10	GLY	0	0.013	0.017	51.704	0.366	0.366	0.000	0.000	0.000	0.000
3	A	11	ALA	0	0.012	0.002	50.945	-0.383	-0.383	0.000	0.000	0.000	0.000
4	A	12	GLY	0	-0.026	-0.011	52.032	0.142	0.142	0.000	0.000	0.000	0.000
5	A	13	PHE	0	0.002	0.003	47.394	0.219	0.219	0.000	0.000	0.000	0.000
6	A	14	LYS	1	0.945	0.971	49.831	-24.076	-24.076	0.000	0.000	0.000	0.000
7	A	15	ALA	0	0.018	0.016	48.547	0.460	0.460	0.000	0.000	0.000	0.000
8	A	16	GLY	0	0.069	0.028	47.312	-0.371	-0.371	0.000	0.000	0.000	0.000
9	A	17	VAL	0	-0.003	0.001	42.230	0.306	0.306	0.000	0.000	0.000	0.000
10	A	18	LYS	1	0.880	0.946	43.345	-26.972	-26.972	0.000	0.000	0.000	0.000
11	A	19	ASP	-1	-0.862	-0.924	41.186	28.302	28.302	0.000	0.000	0.000	0.000
12	A	20	TYR	0	-0.041	-0.045	35.591	-0.346	-0.346	0.000	0.000	0.000	0.000
13	A	21	ARG	1	0.962	0.960	38.530	-29.000	-29.000	0.000	0.000	0.000	0.000
14	A	22	LEU	0	-0.063	-0.025	39.414	-0.305	-0.305	0.000	0.000	0.000	0.000
15	A	23	THR	0	-0.055	-0.019	39.705	-0.665	-0.665	0.000	0.000	0.000	0.000
16	A	24	TYR	0	0.018	-0.004	35.278	-0.142	-0.142	0.000	0.000	0.000	0.000
17	A	25	TYR	0	0.006	0.021	35.673	0.572	0.572	0.000	0.000	0.000	0.000
18	A	26	THR	0	-0.066	-0.052	36.873	-0.785	-0.785	0.000	0.000	0.000	0.000
19	A	27	PRO	0	0.032	0.021	37.355	0.499	0.499	0.000	0.000	0.000	0.000
20	A	28	ASP	-1	-0.887	-0.926	38.430	27.938	27.938	0.000	0.000	0.000	0.000
21	A	29	TYR	0	-0.175	-0.111	34.187	-0.831	-0.831	0.000	0.000	0.000	0.000
22	A	30	VAL	0	0.011	0.008	37.187	0.532	0.532	0.000	0.000	0.000	0.000
23	A	31	VAL	0	-0.017	-0.011	31.818	-0.142	-0.142	0.000	0.000	0.000	0.000
24	A	32	ARG	1	0.944	0.975	34.248	-30.619	-30.619	0.000	0.000	0.000	0.000
25	A	33	ASP	-1	-0.873	-0.942	32.297	34.915	34.915	0.000	0.000	0.000	0.000
26	A	34	THR	0	-0.047	-0.042	31.202	0.586	0.586	0.000	0.000	0.000	0.000
27	A	35	ASP	-1	-0.811	-0.874	30.579	34.814	34.814	0.000	0.000	0.000	0.000
28	A	36	ILE	0	0.012	0.010	24.402	0.881	0.881	0.000	0.000	0.000	0.000
29	A	37	LEU	0	-0.048	-0.011	25.839	-1.142	-1.142	0.000	0.000	0.000	0.000
30	A	38	ALA	0	0.022	0.022	23.361	2.089	2.089	0.000	0.000	0.000	0.000
31	A	39	ALA	0	0.014	0.019	22.455	-1.829	-1.829	0.000	0.000	0.000	0.000
32	A	40	PHE	0	0.011	-0.006	22.013	2.696	2.696	0.000	0.000	0.000	0.000
33	A	41	ARG	1	0.836	0.913	19.532	-53.949	-53.949	0.000	0.000	0.000	0.000
34	A	42	MET	0	-0.013	-0.004	23.318	0.971	0.971	0.000	0.000	0.000	0.000
35	A	43	THR	0	0.018	0.009	25.042	-0.454	-0.454	0.000	0.000	0.000	0.000
36	A	44	PRO	0	0.038	0.020	27.519	0.304	0.304	0.000	0.000	0.000	0.000
37	A	45	GLN	0	-0.013	0.005	30.989	-0.077	-0.077	0.000	0.000	0.000	0.000
38	A	46	PRO	0	0.038	0.004	33.026	-0.484	-0.484	0.000	0.000	0.000	0.000
39	A	47	GLY	0	-0.014	-0.001	36.043	-0.365	-0.365	0.000	0.000	0.000	0.000
40	A	48	VAL	0	-0.031	-0.004	34.622	-0.715	-0.715	0.000	0.000	0.000	0.000
41	A	49	PRO	0	-0.019	-0.007	35.597	0.599	0.599	0.000	0.000	0.000	0.000
42	A	50	PRO	0	0.077	0.034	33.021	0.461	0.461	0.000	0.000	0.000	0.000
43	A	51	GLU	-1	-0.885	-0.955	33.641	31.844	31.844	0.000	0.000	0.000	0.000
44	A	52	GLU	-1	-0.785	-0.894	35.822	30.440	30.440	0.000	0.000	0.000	0.000
45	A	53	CYS	0	-0.018	-0.004	30.322	0.526	0.526	0.000	0.000	0.000	0.000
46	A	54	GLY	0	0.060	0.013	30.729	0.922	0.922	0.000	0.000	0.000	0.000
47	A	55	ALA	0	-0.033	-0.011	31.687	0.456	0.456	0.000	0.000	0.000	0.000
48	A	56	ALA	0	0.016	0.007	32.582	-0.046	-0.046	0.000	0.000	0.000	0.000
49	A	57	VAL	0	0.010	0.011	26.809	0.323	0.323	0.000	0.000	0.000	0.000
50	A	58	ALA	0	0.005	0.020	29.426	0.586	0.586	0.000	0.000	0.000	0.000
51	A	59	ALA	0	-0.008	0.008	31.140	-0.066	-0.066	0.000	0.000	0.000	0.000
52	A	60	GLU	-1	-0.773	-0.888	30.847	33.779	33.779	0.000	0.000	0.000	0.000
53	A	61	SER	0	-0.032	0.004	26.950	0.716	0.716	0.000	0.000	0.000	0.000
54	A	62	SER	0	-0.036	-0.036	28.784	0.016	0.016	0.000	0.000	0.000	0.000
55	A	63	THR	0	-0.023	-0.022	31.524	-0.390	-0.390	0.000	0.000	0.000	0.000
56	A	64	GLY	0	-0.011	0.003	34.635	-0.884	-0.884	0.000	0.000	0.000	0.000
57	A	65	THR	0	-0.046	-0.071	34.910	0.905	0.905	0.000	0.000	0.000	0.000
58	A	66	TRP	0	0.017	0.011	36.960	-0.596	-0.596	0.000	0.000	0.000	0.000
59	A	67	THR	0	-0.003	0.003	38.627	-0.779	-0.779	0.000	0.000	0.000	0.000
60	A	68	THR	0	-0.067	-0.027	41.783	0.437	0.437	0.000	0.000	0.000	0.000
61	A	69	VAL	0	0.037	0.015	41.475	-0.411	-0.411	0.000	0.000	0.000	0.000
62	A	70	TRP	0	-0.045	-0.031	44.383	-0.193	-0.193	0.000	0.000	0.000	0.000
63	A	71	THR	0	-0.046	-0.074	42.689	-0.367	-0.367	0.000	0.000	0.000	0.000
64	A	72	ASP	-1	-0.843	-0.925	41.765	28.118	28.118	0.000	0.000	0.000	0.000
65	A	73	GLY	0	-0.054	-0.023	44.003	0.001	0.001	0.000	0.000	0.000	0.000
66	A	74	LEU	0	-0.092	-0.041	45.912	-0.447	-0.447	0.000	0.000	0.000	0.000
67	A	75	THR	0	-0.052	-0.026	41.273	-0.045	-0.045	0.000	0.000	0.000	0.000
68	A	76	SER	0	-0.020	-0.006	42.814	-0.242	-0.242	0.000	0.000	0.000	0.000
69	A	77	LEU	0	0.081	0.020	39.413	0.572	0.572	0.000	0.000	0.000	0.000
70	A	78	ASP	-1	-0.936	-0.962	39.473	27.752	27.752	0.000	0.000	0.000	0.000
71	A	79	ARG	1	0.873	0.948	39.033	-28.287	-28.287	0.000	0.000	0.000	0.000
72	A	80	TYR	0	-0.008	-0.014	36.128	0.611	0.611	0.000	0.000	0.000	0.000
73	A	81	LYS	1	0.856	0.943	34.810	-28.309	-28.309	0.000	0.000	0.000	0.000
74	A	82	GLY	0	0.061	0.026	31.990	0.230	0.230	0.000	0.000	0.000	0.000
75	A	83	ARG	1	0.845	0.924	32.517	-31.542	-31.542	0.000	0.000	0.000	0.000
76	A	84	CYS	0	-0.014	0.005	31.530	0.884	0.884	0.000	0.000	0.000	0.000
77	A	85	TYR	0	0.004	-0.022	29.566	-0.594	-0.594	0.000	0.000	0.000	0.000
78	A	86	ASP	-1	-0.845	-0.925	31.568	34.270	34.270	0.000	0.000	0.000	0.000
79	A	87	ILE	0	-0.062	-0.026	31.128	1.076	1.076	0.000	0.000	0.000	0.000
80	A	88	GLU	-1	-0.817	-0.897	27.888	39.504	39.504	0.000	0.000	0.000	0.000
81	A	89	PRO	0	0.005	0.009	29.531	0.922	0.922	0.000	0.000	0.000	0.000
82	A	90	VAL	0	-0.013	-0.007	24.647	0.842	0.842	0.000	0.000	0.000	0.000
83	A	91	PRO	0	-0.014	-0.007	26.512	-0.700	-0.700	0.000	0.000	0.000	0.000
84	A	92	GLY	0	-0.022	-0.021	26.761	1.438	1.438	0.000	0.000	0.000	0.000
85	A	93	GLU	-1	-0.898	-0.947	24.589	45.790	45.790	0.000	0.000	0.000	0.000
86	A	94	ASP	-1	-0.920	-0.951	28.437	35.954	35.954	0.000	0.000	0.000	0.000
87	A	95	ASN	0	-0.096	-0.067	29.842	-1.598	-1.598	0.000	0.000	0.000	0.000
88	A	96	GLN	0	0.063	0.024	22.897	1.480	1.480	0.000	0.000	0.000	0.000
89	A	97	TYR	0	0.016	0.001	27.419	-1.104	-1.104	0.000	0.000	0.000	0.000
90	A	98	ILE	0	-0.025	-0.006	23.439	1.739	1.739	0.000	0.000	0.000	0.000
91	A	99	ALA	0	0.006	0.012	26.765	-1.622	-1.622	0.000	0.000	0.000	0.000
92	A	100	TYR	0	-0.040	-0.022	26.162	2.415	2.415	0.000	0.000	0.000	0.000
93	A	101	VAL	0	0.003	-0.007	27.631	-1.651	-1.651	0.000	0.000	0.000	0.000
94	A	102	ALA	0	-0.020	-0.002	28.111	1.180	1.180	0.000	0.000	0.000	0.000
95	A	103	TYR	0	-0.022	-0.049	26.099	-0.706	-0.706	0.000	0.000	0.000	0.000
96	A	104	HYP	0	0.014	0.012	30.319	0.200	0.200	0.000	0.000	0.000	0.000
97	A	105	ILE	0	0.055	0.016	29.561	0.535	0.535	0.000	0.000	0.000	0.000
98	A	106	ASP	-1	-0.914	-0.964	31.034	32.277	32.277	0.000	0.000	0.000	0.000
99	A	107	LEU	0	-0.094	-0.051	30.258	-0.372	-0.372	0.000	0.000	0.000	0.000
100	A	108	PHE	0	-0.019	0.001	25.531	0.599	0.599	0.000	0.000	0.000	0.000
101	A	109	GLU	-1	-0.799	-0.887	27.225	38.130	38.130	0.000	0.000	0.000	0.000
102	A	110	GLU	-1	-0.795	-0.888	26.672	37.336	37.336	0.000	0.000	0.000	0.000
103	A	111	GLY	0	0.032	0.025	24.558	-0.150	-0.150	0.000	0.000	0.000	0.000
104	A	112	SER	0	-0.016	-0.004	22.972	2.349	2.349	0.000	0.000	0.000	0.000
105	A	113	VAL	0	0.035	0.013	16.763	-0.799	-0.799	0.000	0.000	0.000	0.000
106	A	114	THR	0	-0.006	0.000	20.122	1.030	1.030	0.000	0.000	0.000	0.000
107	A	115	ASN	0	0.005	0.008	20.980	-0.730	-0.730	0.000	0.000	0.000	0.000
108	A	116	MET	0	-0.009	0.013	19.367	-1.155	-1.155	0.000	0.000	0.000	0.000
109	A	117	PHE	0	-0.002	-0.018	15.122	-0.071	-0.071	0.000	0.000	0.000	0.000
110	A	118	THR	0	-0.001	0.014	20.645	0.378	0.378	0.000	0.000	0.000	0.000
111	A	119	SER	0	0.006	-0.001	23.460	-1.507	-1.507	0.000	0.000	0.000	0.000
112	A	120	ILE	0	-0.036	-0.004	22.254	-0.633	-0.633	0.000	0.000	0.000	0.000
113	A	121	VAL	0	-0.024	-0.028	18.537	-0.175	-0.175	0.000	0.000	0.000	0.000
114	A	122	GLY	0	0.017	0.030	21.828	0.926	0.926	0.000	0.000	0.000	0.000
115	A	123	ASN	0	0.117	0.028	23.881	1.441	1.441	0.000	0.000	0.000	0.000
116	A	124	VAL	0	0.012	0.009	24.517	-0.220	-0.220	0.000	0.000	0.000	0.000
117	A	125	PHE	0	0.022	0.012	19.782	-0.834	-0.834	0.000	0.000	0.000	0.000
118	A	126	GLY	0	0.038	0.015	24.056	0.496	0.496	0.000	0.000	0.000	0.000
119	A	127	PHE	0	-0.019	0.000	26.439	-1.350	-1.350	0.000	0.000	0.000	0.000
120	A	128	LYS	1	0.826	0.913	29.411	-32.488	-32.488	0.000	0.000	0.000	0.000
121	A	129	ALA	0	-0.011	0.003	31.826	0.014	0.014	0.000	0.000	0.000	0.000
122	A	130	LEU	0	-0.040	-0.013	25.950	-0.301	-0.301	0.000	0.000	0.000	0.000
123	A	131	ARG	1	0.836	0.907	27.822	-38.321	-38.321	0.000	0.000	0.000	0.000
124	A	132	ALA	0	-0.007	-0.006	22.651	1.363	1.363	0.000	0.000	0.000	0.000
125	A	133	LEU	0	-0.024	-0.005	22.481	-1.770	-1.770	0.000	0.000	0.000	0.000
126	A	134	ARG	1	0.841	0.927	13.207	-66.935	-66.935	0.000	0.000	0.000	0.000
127	A	135	LEU	0	-0.024	0.012	18.215	-2.034	-2.034	0.000	0.000	0.000	0.000
128	A	136	GLU	-1	-0.781	-0.896	17.330	63.492	63.492	0.000	0.000	0.000	0.000
129	A	137	ASP	-1	-0.792	-0.911	17.457	58.603	58.603	0.000	0.000	0.000	0.000
130	A	138	LEU	0	0.003	-0.013	18.877	-2.065	-2.065	0.000	0.000	0.000	0.000
131	A	139	ARG	1	0.854	0.954	20.967	-38.593	-38.593	0.000	0.000	0.000	0.000
132	A	140	ILE	0	0.021	-0.009	20.446	-1.792	-1.792	0.000	0.000	0.000	0.000
133	A	141	PRO	0	0.010	0.032	23.684	0.284	0.284	0.000	0.000	0.000	0.000
134	A	142	PRO	0	0.129	0.044	26.657	0.475	0.475	0.000	0.000	0.000	0.000
135	A	143	ALA	0	-0.023	-0.016	28.029	0.087	0.087	0.000	0.000	0.000	0.000
136	A	144	TYR	0	-0.010	-0.023	23.511	0.113	0.113	0.000	0.000	0.000	0.000
137	A	145	VAL	0	0.032	0.024	22.873	0.499	0.499	0.000	0.000	0.000	0.000
138	A	146	LYS	1	0.946	0.961	24.841	-38.799	-38.799	0.000	0.000	0.000	0.000
139	A	147	THR	0	-0.093	-0.044	26.407	-0.559	-0.559	0.000	0.000	0.000	0.000
140	A	148	PHE	0	-0.012	-0.005	21.572	0.164	0.164	0.000	0.000	0.000	0.000
141	A	149	VAL	0	-0.017	-0.002	22.894	-0.686	-0.686	0.000	0.000	0.000	0.000
142	A	150	GLY	0	0.017	0.014	19.854	-0.435	-0.435	0.000	0.000	0.000	0.000
143	A	151	HYP	0	-0.037	-0.032	16.717	1.553	1.553	0.000	0.000	0.000	0.000
144	A	152	PRO	0	-0.032	0.004	17.508	-2.949	-2.949	0.000	0.000	0.000	0.000
145	A	153	HIS	0	-0.047	-0.028	19.332	-5.533	-5.533	0.000	0.000	0.000	0.000
146	A	154	GLY	0	0.053	0.025	17.784	-2.103	-2.103	0.000	0.000	0.000	0.000
147	A	155	ILE	0	-0.031	-0.019	15.338	-0.819	-0.819	0.000	0.000	0.000	0.000
148	A	156	GLN	0	-0.057	-0.025	18.115	0.348	0.348	0.000	0.000	0.000	0.000
149	A	157	VAL	0	0.072	0.036	21.813	-0.664	-0.664	0.000	0.000	0.000	0.000
150	A	158	GLU	-1	-0.813	-0.884	15.514	73.554	73.554	0.000	0.000	0.000	0.000
151	A	159	ARG	1	0.801	0.885	17.587	-63.047	-63.047	0.000	0.000	0.000	0.000
152	A	160	ASP	-1	-0.803	-0.896	20.895	45.809	45.809	0.000	0.000	0.000	0.000
153	A	161	LYS	1	0.796	0.922	21.939	-50.572	-50.572	0.000	0.000	0.000	0.000
154	A	162	LEU	0	-0.034	-0.023	17.249	-0.988	-0.988	0.000	0.000	0.000	0.000
155	A	163	ASN	0	-0.014	-0.001	21.701	-0.875	-0.875	0.000	0.000	0.000	0.000
156	A	164	LYS	1	0.761	0.891	17.864	-61.539	-61.539	0.000	0.000	0.000	0.000
157	A	165	TYR	0	-0.004	-0.023	21.314	1.226	1.226	0.000	0.000	0.000	0.000
158	A	166	GLY	0	0.018	0.020	22.212	-0.377	-0.377	0.000	0.000	0.000	0.000
159	A	167	ARG	1	0.771	0.874	15.881	-65.896	-65.896	0.000	0.000	0.000	0.000
160	A	168	GLY	0	0.053	0.041	15.102	0.046	0.046	0.000	0.000	0.000	0.000
161	A	169	LEU	0	-0.032	-0.021	13.525	-1.830	-1.830	0.000	0.000	0.000	0.000
162	A	170	LEU	0	0.006	0.006	10.324	6.190	6.190	0.000	0.000	0.000	0.000
163	A	171	GLY	0	0.043	0.005	8.985	-5.991	-5.991	0.000	0.000	0.000	0.000
164	A	172	CYS	0	-0.056	-0.012	5.543	3.094	3.094	0.000	0.000	0.000	0.000
168	A	176	PRO	0	0.048	0.038	7.065	-9.056	-9.056	0.000	0.000	0.000	0.000
170	A	178	LEU	0	-0.023	-0.009	7.445	-6.189	-6.189	0.000	0.000	0.000	0.000
171	A	179	GLY	0	0.063	0.026	11.019	0.011	0.011	0.000	0.000	0.000	0.000
172	A	180	LEU	0	-0.054	-0.005	11.327	-5.710	-5.710	0.000	0.000	0.000	0.000
173	A	181	SER	0	0.048	0.024	14.629	0.080	0.080	0.000	0.000	0.000	0.000
174	A	182	ALA	0	0.089	0.034	16.217	2.393	2.393	0.000	0.000	0.000	0.000
175	A	183	LYS	1	0.955	0.985	17.123	-46.830	-46.830	0.000	0.000	0.000	0.000
176	A	184	ASN	0	-0.010	-0.027	16.084	-1.357	-1.357	0.000	0.000	0.000	0.000
177	A	185	TYR	0	0.090	0.048	8.368	1.579	1.579	0.000	0.000	0.000	0.000
178	A	186	GLY	0	0.052	0.028	13.684	2.588	2.588	0.000	0.000	0.000	0.000
179	A	187	ARG	1	0.905	0.950	16.211	-54.990	-54.990	0.000	0.000	0.000	0.000
180	A	188	ALA	0	-0.001	-0.003	11.750	-0.469	-0.469	0.000	0.000	0.000	0.000
181	A	189	VAL	0	0.066	0.030	11.506	2.145	2.145	0.000	0.000	0.000	0.000
182	A	190	TYR	0	-0.077	-0.078	13.357	-0.496	-0.496	0.000	0.000	0.000	0.000
183	A	191	GLU	-1	-0.916	-0.964	15.024	57.636	57.636	0.000	0.000	0.000	0.000
184	A	192	CYS	0	-0.036	-0.019	9.603	-0.420	-0.420	0.000	0.000	0.000	0.000
185	A	193	LEU	0	0.024	0.017	12.953	-1.204	-1.204	0.000	0.000	0.000	0.000
186	A	194	ARG	1	0.731	0.841	15.061	-56.639	-56.639	0.000	0.000	0.000	0.000
187	A	195	GLY	0	-0.036	-0.011	15.776	-2.688	-2.688	0.000	0.000	0.000	0.000
188	A	196	GLY	0	0.022	0.012	16.030	-0.661	-0.661	0.000	0.000	0.000	0.000
189	A	197	LEU	0	-0.041	-0.010	9.413	0.317	0.317	0.000	0.000	0.000	0.000
190	A	198	ASP	-1	-0.759	-0.839	13.152	67.321	67.321	0.000	0.000	0.000	0.000
191	A	199	PHE	0	0.008	-0.005	10.888	-3.888	-3.888	0.000	0.000	0.000	0.000
192	A	200	THR	0	-0.040	-0.056	8.864	2.683	2.683	0.000	0.000	0.000	0.000
194	A	202	ASP	-1	-0.701	-0.833	6.957	86.596	86.596	0.000	0.000	0.000	0.000
198	A	205	ASN	0	0.005	-0.002	5.739	-4.420	-4.420	0.000	0.000	0.000	0.000
199	A	206	VAL	0	-0.050	-0.003	8.347	-9.234	-9.234	0.000	0.000	0.000	0.000
200	A	207	ASN	0	-0.022	-0.009	10.389	-2.404	-2.404	0.000	0.000	0.000	0.000
201	A	208	SER	0	0.031	0.005	13.182	-2.132	-2.132	0.000	0.000	0.000	0.000
202	A	209	GLN	0	0.010	-0.004	12.526	-1.397	-1.397	0.000	0.000	0.000	0.000
203	A	210	PRO	0	0.007	0.007	17.590	-1.123	-1.123	0.000	0.000	0.000	0.000
204	A	211	PHE	0	-0.027	-0.005	12.953	-1.308	-1.308	0.000	0.000	0.000	0.000
205	A	212	MET	0	-0.072	-0.024	12.324	-0.832	-0.832	0.000	0.000	0.000	0.000
206	A	213	ARG	1	0.853	0.931	16.903	-49.996	-49.996	0.000	0.000	0.000	0.000
207	A	214	TRP	0	0.057	0.010	16.869	0.463	0.463	0.000	0.000	0.000	0.000
208	A	215	ARG	1	0.966	0.994	17.833	-44.031	-44.031	0.000	0.000	0.000	0.000
209	A	216	ASP	-1	-0.887	-0.948	20.128	48.545	48.545	0.000	0.000	0.000	0.000
210	A	217	ARG	1	0.783	0.863	12.594	-74.730	-74.730	0.000	0.000	0.000	0.000
211	A	218	PHE	0	0.008	-0.007	14.952	0.617	0.617	0.000	0.000	0.000	0.000
212	A	219	LEU	0	0.022	0.011	18.192	-0.494	-0.494	0.000	0.000	0.000	0.000
213	A	220	PHE	0	-0.001	-0.008	18.561	-1.072	-1.072	0.000	0.000	0.000	0.000
214	A	221	VAL	0	-0.012	0.001	13.936	0.171	0.171	0.000	0.000	0.000	0.000
215	A	222	ALA	0	0.014	0.014	16.879	0.295	0.295	0.000	0.000	0.000	0.000
216	A	223	GLU	-1	-0.983	-0.987	19.785	46.434	46.434	0.000	0.000	0.000	0.000
217	A	224	ALA	0	-0.031	-0.022	16.951	-0.970	-0.970	0.000	0.000	0.000	0.000
218	A	225	ILE	0	0.022	0.008	15.915	0.013	0.013	0.000	0.000	0.000	0.000
219	A	226	TYR	0	-0.031	-0.030	18.500	-0.651	-0.651	0.000	0.000	0.000	0.000
220	A	227	LYS	1	0.911	0.971	21.437	-48.500	-48.500	0.000	0.000	0.000	0.000
221	A	228	ALA	0	0.030	0.005	18.602	-1.294	-1.294	0.000	0.000	0.000	0.000
222	A	229	GLN	0	0.024	0.026	20.520	1.439	1.439	0.000	0.000	0.000	0.000
223	A	230	ALA	0	-0.007	0.001	22.160	-1.445	-1.445	0.000	0.000	0.000	0.000
224	A	231	GLU	-1	-0.816	-0.878	22.189	49.285	49.285	0.000	0.000	0.000	0.000
225	A	232	THR	0	-0.028	-0.026	19.643	-0.823	-0.823	0.000	0.000	0.000	0.000
226	A	233	GLY	0	-0.010	0.007	23.081	-0.917	-0.917	0.000	0.000	0.000	0.000
227	A	234	GLU	-1	-0.770	-0.876	19.658	56.352	56.352	0.000	0.000	0.000	0.000
228	A	235	VAL	0	0.016	0.006	19.750	0.430	0.430	0.000	0.000	0.000	0.000
229	A	236	LYS	1	0.845	0.933	16.576	-61.091	-61.091	0.000	0.000	0.000	0.000
230	A	237	GLY	0	0.020	-0.002	15.469	-2.867	-2.867	0.000	0.000	0.000	0.000
231	A	238	HIS	0	-0.015	0.001	9.914	3.281	3.281	0.000	0.000	0.000	0.000
232	A	239	TYR	0	-0.009	-0.011	7.398	-8.272	-8.272	0.000	0.000	0.000	0.000
233	A	240	LEU	0	-0.017	-0.002	10.159	4.212	4.212	0.000	0.000	0.000	0.000
234	A	241	ASN	0	0.004	-0.008	8.623	-5.988	-5.988	0.000	0.000	0.000	0.000
235	A	242	ALA	0	-0.013	-0.007	11.407	-4.244	-4.244	0.000	0.000	0.000	0.000
236	A	243	THR	0	-0.018	-0.004	10.341	-4.977	-4.977	0.000	0.000	0.000	0.000
237	A	244	ALA	0	-0.004	-0.001	13.364	-0.693	-0.693	0.000	0.000	0.000	0.000
238	A	245	GLY	0	0.034	0.013	16.478	0.858	0.858	0.000	0.000	0.000	0.000
239	A	246	THR	0	0.032	0.018	19.072	-0.743	-0.743	0.000	0.000	0.000	0.000
240	B	247	CYS	0	0.069	-0.013	20.491	1.126	1.126	0.000	0.000	0.000	0.000
241	A	248	GLU	-1	-0.832	-0.909	21.942	44.608	44.608	0.000	0.000	0.000	0.000
242	A	249	GLU	-1	-0.830	-0.907	20.108	48.678	48.678	0.000	0.000	0.000	0.000
243	A	250	MET	0	-0.014	0.013	16.671	1.271	1.271	0.000	0.000	0.000	0.000
244	A	251	MET	0	-0.016	-0.011	18.903	1.217	1.217	0.000	0.000	0.000	0.000
245	A	252	LYS	1	0.840	0.912	21.632	-45.370	-45.370	0.000	0.000	0.000	0.000
246	A	253	ARG	1	0.742	0.863	15.935	-59.195	-59.195	0.000	0.000	0.000	0.000
247	A	254	ALA	0	0.043	0.020	18.642	0.631	0.631	0.000	0.000	0.000	0.000
248	A	255	VAL	0	0.004	0.006	19.477	-0.452	-0.452	0.000	0.000	0.000	0.000
249	A	256	SMC	0	-0.068	-0.016	20.873	-0.269	-0.269	0.000	0.000	0.000	0.000
250	A	257	ALA	0	0.042	0.008	18.034	-0.533	-0.533	0.000	0.000	0.000	0.000
251	A	258	LYS	1	0.901	0.936	20.068	-43.108	-43.108	0.000	0.000	0.000	0.000
252	A	259	GLU	-1	-1.007	-1.009	22.943	40.422	40.422	0.000	0.000	0.000	0.000
253	A	260	LEU	0	-0.066	-0.023	20.777	-1.107	-1.107	0.000	0.000	0.000	0.000
254	A	261	GLY	0	0.016	0.024	23.743	-0.048	-0.048	0.000	0.000	0.000	0.000
255	A	262	VAL	0	-0.035	-0.014	18.193	0.602	0.602	0.000	0.000	0.000	0.000
256	A	263	PRO	0	0.030	0.010	17.083	-0.334	-0.334	0.000	0.000	0.000	0.000
257	A	264	ILE	0	-0.038	-0.016	12.638	0.117	0.117	0.000	0.000	0.000	0.000
258	A	265	ILE	0	0.008	0.015	13.425	0.015	0.015	0.000	0.000	0.000	0.000
259	A	266	MET	0	-0.048	-0.009	5.419	1.913	1.913	0.000	0.000	0.000	0.000
260	A	267	HIS	0	-0.031	-0.028	10.235	-6.256	-6.256	0.000	0.000	0.000	0.000
261	A	268	ASP	-1	-0.764	-0.896	7.710	111.485	111.485	0.000	0.000	0.000	0.000
262	A	269	TYR	0	-0.051	-0.034	7.507	-2.671	-2.671	0.000	0.000	0.000	0.000
263	A	270	LEU	0	-0.027	-0.002	7.805	-6.005	-6.005	0.000	0.000	0.000	0.000
264	A	271	THR	0	-0.035	-0.023	9.944	-4.078	-4.078	0.000	0.000	0.000	0.000
265	A	272	GLY	0	0.020	0.017	12.452	-4.542	-4.542	0.000	0.000	0.000	0.000
266	A	273	GLY	0	-0.003	-0.008	13.870	-4.934	-4.934	0.000	0.000	0.000	0.000
267	A	274	PHE	0	0.065	0.010	13.538	0.853	0.853	0.000	0.000	0.000	0.000
268	A	275	THR	0	0.003	0.024	16.768	-0.607	-0.607	0.000	0.000	0.000	0.000
269	A	276	ALA	0	0.024	-0.008	17.488	-1.350	-1.350	0.000	0.000	0.000	0.000
270	A	277	ASN	0	0.032	0.010	13.868	3.203	3.203	0.000	0.000	0.000	0.000
271	A	278	THR	0	0.012	0.017	16.519	0.061	0.061	0.000	0.000	0.000	0.000
272	A	279	SER	0	-0.010	-0.016	19.381	-1.206	-1.206	0.000	0.000	0.000	0.000
273	A	280	LEU	0	-0.002	0.005	15.217	-1.575	-1.575	0.000	0.000	0.000	0.000
274	A	281	ALA	0	0.035	0.016	17.571	-0.423	-0.423	0.000	0.000	0.000	0.000
275	A	282	ILE	0	0.000	-0.001	19.224	-1.288	-1.288	0.000	0.000	0.000	0.000
276	A	283	TYR	0	0.040	0.018	20.963	-1.235	-1.235	0.000	0.000	0.000	0.000
277	A	284	CYS	0	-0.042	-0.021	18.204	-0.358	-0.358	0.000	0.000	0.000	0.000
278	A	285	ARG	1	0.854	0.917	20.810	-48.603	-48.603	0.000	0.000	0.000	0.000
279	A	286	ASP	-1	-0.935	-0.961	23.462	40.992	40.992	0.000	0.000	0.000	0.000
280	A	287	ASN	0	-0.118	-0.057	23.497	-2.974	-2.974	0.000	0.000	0.000	0.000
281	A	288	GLY	0	-0.023	0.007	23.453	-0.118	-0.118	0.000	0.000	0.000	0.000
282	A	289	LEU	0	-0.028	-0.013	18.268	0.578	0.578	0.000	0.000	0.000	0.000
283	A	290	LEU	0	-0.014	-0.009	15.900	-0.099	-0.099	0.000	0.000	0.000	0.000
284	A	291	LEU	0	0.011	-0.006	13.487	1.036	1.036	0.000	0.000	0.000	0.000
285	A	292	HIS	0	-0.011	-0.013	5.596	-7.433	-7.433	0.000	0.000	0.000	0.000
286	A	293	ILE	0	0.027	0.014	8.260	-0.833	-0.833	0.000	0.000	0.000	0.000
290	A	297	MET	0	0.013	-0.006	6.035	-12.375	-12.375	0.000	0.000	0.000	0.000
292	A	299	ALA	0	0.013	0.024	6.575	-7.664	-7.664	0.000	0.000	0.000	0.000
293	A	300	VAL	0	-0.046	-0.007	8.320	-8.126	-8.126	0.000	0.000	0.000	0.000
294	A	301	ILE	0	-0.031	-0.016	10.717	-6.614	-6.614	0.000	0.000	0.000	0.000
295	A	302	ASP	-1	-0.779	-0.877	8.231	108.493	108.493	0.000	0.000	0.000	0.000
296	A	303	ARG	1	0.801	0.908	9.280	-94.721	-94.721	0.000	0.000	0.000	0.000
297	A	304	GLN	0	-0.027	-0.025	11.148	-5.162	-5.162	0.000	0.000	0.000	0.000
298	A	305	ARG	1	0.901	0.958	14.907	-53.968	-53.968	0.000	0.000	0.000	0.000
299	A	306	ASN	0	-0.021	-0.027	17.063	0.393	0.393	0.000	0.000	0.000	0.000
300	A	307	HIS	0	-0.013	-0.021	18.145	-3.614	-3.614	0.000	0.000	0.000	0.000
301	A	308	GLY	0	0.049	0.041	15.850	2.999	2.999	0.000	0.000	0.000	0.000
302	A	309	ILE	0	-0.034	-0.026	14.191	-3.882	-3.882	0.000	0.000	0.000	0.000
303	A	310	HIS	0	0.049	0.033	11.952	5.024	5.024	0.000	0.000	0.000	0.000
304	A	311	PHE	0	0.074	0.021	6.902	1.676	1.676	0.000	0.000	0.000	0.000
305	A	312	ARG	1	0.903	0.944	10.491	-65.018	-65.018	0.000	0.000	0.000	0.000
306	A	313	VAL	0	-0.025	-0.001	13.067	-2.358	-2.358	0.000	0.000	0.000	0.000
307	A	314	LEU	0	-0.003	-0.004	9.629	-1.890	-1.890	0.000	0.000	0.000	0.000
308	A	315	ALA	0	0.013	0.017	10.300	0.516	0.516	0.000	0.000	0.000	0.000
309	A	316	LYS	1	0.820	0.908	11.505	-58.161	-58.161	0.000	0.000	0.000	0.000
310	A	317	ALA	0	0.022	0.007	14.030	-2.573	-2.573	0.000	0.000	0.000	0.000
311	A	318	LEU	0	0.007	0.009	10.451	-2.309	-2.309	0.000	0.000	0.000	0.000
312	A	319	ARG	1	0.767	0.891	13.355	-60.916	-60.916	0.000	0.000	0.000	0.000
313	A	320	MET	0	-0.016	-0.010	15.593	-2.410	-2.410	0.000	0.000	0.000	0.000
314	A	321	SER	0	-0.061	-0.030	15.588	-0.935	-0.935	0.000	0.000	0.000	0.000
315	A	322	GLY	0	0.028	0.003	16.039	-2.418	-2.418	0.000	0.000	0.000	0.000
316	A	323	GLY	0	0.025	-0.015	13.313	2.570	2.570	0.000	0.000	0.000	0.000
317	A	324	ASP	-1	-0.737	-0.857	14.341	62.041	62.041	0.000	0.000	0.000	0.000
318	A	325	HIS	1	0.748	0.857	9.629	-87.807	-87.807	0.000	0.000	0.000	0.000
319	A	326	LEU	0	0.034	0.015	6.969	-1.409	-1.409	0.000	0.000	0.000	0.000
324	A	331	ALA	0	0.063	0.050	7.036	-11.806	-11.806	0.000	0.000	0.000	0.000
325	A	332	VAL	0	-0.038	-0.027	9.111	-4.592	-4.592	0.000	0.000	0.000	0.000
326	A	333	GLY	0	0.003	0.016	7.044	-3.707	-3.707	0.000	0.000	0.000	0.000
330	A	337	GLY	0	0.021	0.000	5.869	12.637	12.637	0.000	0.000	0.000	0.000
331	A	338	GLU	-1	-0.837	-0.908	7.980	68.475	68.475	0.000	0.000	0.000	0.000
332	A	339	ARG	1	0.896	0.927	11.545	-64.763	-64.763	0.000	0.000	0.000	0.000
333	A	340	GLU	-1	-0.867	-0.936	13.219	61.463	61.463	0.000	0.000	0.000	0.000
334	A	341	VAL	0	-0.018	-0.012	11.389	-0.789	-0.789	0.000	0.000	0.000	0.000
335	A	342	THR	0	-0.068	-0.047	9.046	4.034	4.034	0.000	0.000	0.000	0.000
336	A	343	LEU	0	-0.024	-0.020	11.208	0.322	0.322	0.000	0.000	0.000	0.000
337	A	344	GLY	0	0.042	0.038	14.405	-2.321	-2.321	0.000	0.000	0.000	0.000
338	A	345	PHE	0	-0.021	-0.025	7.793	-1.785	-1.785	0.000	0.000	0.000	0.000
339	A	346	VAL	0	0.010	-0.005	10.597	1.381	1.381	0.000	0.000	0.000	0.000
340	A	347	ASP	-1	-0.853	-0.915	13.015	59.955	59.955	0.000	0.000	0.000	0.000
341	A	348	LEU	0	-0.094	-0.044	15.346	-2.095	-2.095	0.000	0.000	0.000	0.000
342	A	349	MET	0	-0.074	-0.015	9.324	1.005	1.005	0.000	0.000	0.000	0.000
343	A	350	ARG	1	0.829	0.909	14.182	-72.376	-72.376	0.000	0.000	0.000	0.000
344	A	351	ASP	-1	-0.864	-0.917	16.628	54.526	54.526	0.000	0.000	0.000	0.000
345	A	352	ASP	-1	-0.899	-0.955	20.102	45.483	45.483	0.000	0.000	0.000	0.000
346	A	353	TYR	0	-0.026	-0.016	23.228	-1.035	-1.035	0.000	0.000	0.000	0.000
347	A	354	VAL	0	0.012	0.017	19.573	0.557	0.557	0.000	0.000	0.000	0.000
348	A	355	GLU	-1	-0.868	-0.948	22.921	39.613	39.613	0.000	0.000	0.000	0.000
349	A	356	LYS	1	0.922	0.966	23.433	-38.987	-38.987	0.000	0.000	0.000	0.000
350	A	357	ASP	-1	-0.789	-0.885	21.726	48.667	48.667	0.000	0.000	0.000	0.000
351	A	358	ARG	1	0.860	0.922	21.330	-43.502	-43.502	0.000	0.000	0.000	0.000
352	A	359	SER	0	-0.104	-0.055	21.320	1.436	1.436	0.000	0.000	0.000	0.000
353	A	360	ARG	1	0.996	1.001	17.508	-56.411	-56.411	0.000	0.000	0.000	0.000
354	A	361	GLY	0	-0.048	-0.027	16.947	3.154	3.154	0.000	0.000	0.000	0.000
355	A	362	ILE	0	-0.024	0.004	18.323	1.015	1.015	0.000	0.000	0.000	0.000
356	A	363	TYR	0	-0.050	-0.046	19.293	-3.286	-3.286	0.000	0.000	0.000	0.000
357	A	364	PHE	0	-0.059	-0.037	22.442	-2.685	-2.685	0.000	0.000	0.000	0.000
358	A	365	THR	0	0.025	0.021	23.088	1.817	1.817	0.000	0.000	0.000	0.000
359	A	366	GLN	0	-0.061	-0.030	20.235	0.023	0.023	0.000	0.000	0.000	0.000
360	A	367	ASP	-1	-0.833	-0.918	23.422	41.931	41.931	0.000	0.000	0.000	0.000
361	A	368	TRP	0	-0.027	-0.028	17.672	0.068	0.068	0.000	0.000	0.000	0.000
362	A	369	SMC	0	-0.052	-0.024	23.549	-0.489	-0.489	0.000	0.000	0.000	0.000
363	A	370	SER	0	-0.032	-0.027	25.645	-1.377	-1.377	0.000	0.000	0.000	0.000
364	A	371	MET	0	-0.064	0.000	20.381	0.961	0.961	0.000	0.000	0.000	0.000
365	A	372	PRO	0	0.025	0.019	20.037	1.077	1.077	0.000	0.000	0.000	0.000
366	A	373	GLY	0	0.061	0.040	17.801	1.177	1.177	0.000	0.000	0.000	0.000
367	A	374	VAL	0	-0.034	-0.029	11.704	-0.103	-0.103	0.000	0.000	0.000	0.000
368	A	375	MET	0	0.005	0.005	11.733	0.400	0.400	0.000	0.000	0.000	0.000
369	A	376	PRO	0	0.015	0.011	8.978	5.851	5.851	0.000	0.000	0.000	0.000
370	A	377	VAL	0	-0.025	-0.012	5.322	-4.968	-4.968	0.000	0.000	0.000	0.000
376	A	383	HIS	0	0.014	-0.023	5.666	6.683	6.683	0.000	0.000	0.000	0.000
377	A	384	VAL	0	0.057	0.017	8.392	-4.456	-4.456	0.000	0.000	0.000	0.000
378	A	385	TRP	0	-0.076	-0.037	11.719	-7.091	-7.091	0.000	0.000	0.000	0.000
379	A	386	HIS	0	0.034	0.020	9.074	0.662	0.662	0.000	0.000	0.000	0.000
380	A	387	MET	0	-0.034	0.008	10.958	0.450	0.450	0.000	0.000	0.000	0.000
381	A	388	PRO	0	0.012	-0.002	13.334	-1.216	-1.216	0.000	0.000	0.000	0.000
382	A	389	ALA	0	0.013	0.010	14.653	-1.737	-1.737	0.000	0.000	0.000	0.000
383	A	390	LEU	0	0.008	0.009	9.467	0.411	0.411	0.000	0.000	0.000	0.000
384	A	391	VAL	0	0.009	-0.008	13.309	-0.715	-0.715	0.000	0.000	0.000	0.000
385	A	392	GLU	-1	-0.901	-0.925	16.111	61.864	61.864	0.000	0.000	0.000	0.000
386	A	393	ILE	0	-0.021	0.002	12.099	-1.504	-1.504	0.000	0.000	0.000	0.000
387	A	394	PHE	0	-0.031	-0.016	8.457	-0.314	-0.314	0.000	0.000	0.000	0.000
388	A	395	GLY	0	0.026	0.029	13.924	-3.099	-3.099	0.000	0.000	0.000	0.000
389	A	396	ASP	-1	-0.823	-0.916	15.607	63.202	63.202	0.000	0.000	0.000	0.000
390	A	397	ASP	-1	-0.884	-0.931	15.881	63.089	63.089	0.000	0.000	0.000	0.000
391	A	398	ALA	0	0.049	0.013	10.838	2.278	2.278	0.000	0.000	0.000	0.000
392	A	399	CYS	0	-0.068	-0.011	9.461	-3.486	-3.486	0.000	0.000	0.000	0.000
393	A	400	LEU	0	0.011	0.006	8.704	9.595	9.595	0.000	0.000	0.000	0.000
399	A	406	THR	0	-0.045	-0.032	6.085	-20.711	-20.711	0.000	0.000	0.000	0.000
400	A	407	LEU	0	-0.020	-0.026	6.416	-12.292	-12.292	0.000	0.000	0.000	0.000
401	A	408	GLY	0	0.044	0.021	7.381	-6.682	-6.682	0.000	0.000	0.000	0.000
402	A	409	HIS	0	-0.017	0.004	8.523	-6.076	-6.076	0.000	0.000	0.000	0.000
403	A	410	PRO	0	0.017	-0.001	11.546	-2.148	-2.148	0.000	0.000	0.000	0.000
404	A	411	TRP	0	-0.051	-0.058	14.735	-4.016	-4.016	0.000	0.000	0.000	0.000
405	A	412	GLY	0	0.034	0.031	13.606	-3.080	-3.080	0.000	0.000	0.000	0.000
406	A	413	ASN	0	0.031	0.008	11.240	3.220	3.220	0.000	0.000	0.000	0.000
407	A	414	ALA	0	0.046	0.046	12.812	2.115	2.115	0.000	0.000	0.000	0.000
408	A	415	PRO	0	-0.013	-0.028	15.482	-0.109	-0.109	0.000	0.000	0.000	0.000
409	A	416	GLY	0	0.039	0.020	11.646	0.060	0.060	0.000	0.000	0.000	0.000
410	A	417	ALA	0	-0.010	0.002	11.393	3.183	3.183	0.000	0.000	0.000	0.000
411	A	418	ALA	0	0.012	0.015	12.346	-0.112	-0.112	0.000	0.000	0.000	0.000
412	A	419	ALA	0	-0.037	-0.014	13.124	-1.822	-1.822	0.000	0.000	0.000	0.000
413	A	420	ASN	0	0.020	-0.001	8.554	-2.365	-2.365	0.000	0.000	0.000	0.000
414	A	421	ARG	1	0.760	0.868	12.139	-62.678	-62.678	0.000	0.000	0.000	0.000
415	A	422	VAL	0	-0.023	-0.012	14.898	-2.636	-2.636	0.000	0.000	0.000	0.000
416	A	423	ALA	0	-0.009	-0.004	13.847	-2.182	-2.182	0.000	0.000	0.000	0.000
417	A	424	LEU	0	0.037	0.011	13.814	-1.819	-1.819	0.000	0.000	0.000	0.000
418	A	425	GLU	-1	-0.754	-0.875	15.672	53.470	53.470	0.000	0.000	0.000	0.000
419	A	426	ALA	0	0.012	0.010	19.024	-2.673	-2.673	0.000	0.000	0.000	0.000
420	A	427	CYS	0	-0.056	-0.025	17.508	-1.746	-1.746	0.000	0.000	0.000	0.000
421	A	428	THR	0	0.011	0.001	18.521	-1.114	-1.114	0.000	0.000	0.000	0.000
422	A	429	GLN	0	-0.012	-0.005	20.915	-1.140	-1.140	0.000	0.000	0.000	0.000
423	A	430	ALA	0	-0.010	-0.008	22.908	-1.818	-1.818	0.000	0.000	0.000	0.000
424	A	431	ARG	1	0.830	0.901	19.903	-57.821	-57.821	0.000	0.000	0.000	0.000
425	A	432	ASN	0	-0.024	-0.021	24.461	-0.129	-0.129	0.000	0.000	0.000	0.000
426	A	433	GLU	-1	-0.972	-0.988	26.815	41.056	41.056	0.000	0.000	0.000	0.000
427	A	434	GLY	0	-0.011	0.006	28.146	-1.548	-1.548	0.000	0.000	0.000	0.000
428	A	435	ARG	1	0.864	0.945	25.987	-45.973	-45.973	0.000	0.000	0.000	0.000
429	A	436	ASP	-1	-0.861	-0.932	24.773	51.226	51.226	0.000	0.000	0.000	0.000
430	A	437	LEU	0	-0.027	-0.024	19.368	0.341	0.341	0.000	0.000	0.000	0.000
431	A	438	ALA	0	0.027	0.022	21.277	2.160	2.160	0.000	0.000	0.000	0.000
432	A	439	ARG	1	0.923	0.972	22.314	-43.558	-43.558	0.000	0.000	0.000	0.000
433	A	440	GLU	-1	-0.895	-0.975	24.688	43.896	43.896	0.000	0.000	0.000	0.000
434	A	441	GLY	0	0.066	0.037	20.277	0.078	0.078	0.000	0.000	0.000	0.000
435	A	442	GLY	0	-0.002	-0.015	20.178	1.149	1.149	0.000	0.000	0.000	0.000
436	A	443	ASP	-1	-0.883	-0.944	21.179	46.535	46.535	0.000	0.000	0.000	0.000
437	A	444	VAL	0	-0.022	-0.001	20.588	-1.194	-1.194	0.000	0.000	0.000	0.000
438	A	445	ILE	0	0.063	0.027	16.346	-0.817	-0.817	0.000	0.000	0.000	0.000
439	A	446	ARG	1	0.900	0.934	19.595	-52.057	-52.057	0.000	0.000	0.000	0.000
440	A	447	SER	0	-0.065	-0.031	22.257	-1.984	-1.984	0.000	0.000	0.000	0.000
441	A	448	ALA	0	0.038	0.028	19.936	-1.285	-1.285	0.000	0.000	0.000	0.000
442	A	449	CYS	0	-0.120	-0.070	19.291	1.136	1.136	0.000	0.000	0.000	0.000
443	A	450	LYS	1	0.906	0.952	21.164	-45.184	-45.184	0.000	0.000	0.000	0.000
444	A	451	TRP	0	-0.018	0.009	21.934	-1.168	-1.168	0.000	0.000	0.000	0.000
445	A	452	SER	0	0.008	0.017	19.900	0.122	0.122	0.000	0.000	0.000	0.000
446	A	453	PRO	0	0.038	0.007	20.839	1.544	1.544	0.000	0.000	0.000	0.000
447	A	454	GLU	-1	-0.806	-0.898	16.983	54.042	54.042	0.000	0.000	0.000	0.000
448	A	455	LEU	0	0.029	0.009	15.263	3.410	3.410	0.000	0.000	0.000	0.000
449	A	456	ALA	0	0.002	-0.006	16.796	2.201	2.201	0.000	0.000	0.000	0.000
450	A	457	ALA	0	-0.041	-0.019	17.193	0.526	0.526	0.000	0.000	0.000	0.000
451	A	458	ALA	0	0.022	0.012	12.602	1.769	1.769	0.000	0.000	0.000	0.000
452	A	459	CYS	0	-0.018	-0.001	14.017	3.011	3.011	0.000	0.000	0.000	0.000
453	A	460	GLU	-1	-0.969	-0.976	16.099	58.817	58.817	0.000	0.000	0.000	0.000
454	A	461	VAL	0	0.020	0.019	12.276	0.107	0.107	0.000	0.000	0.000	0.000
455	A	462	TRP	0	-0.024	-0.028	8.556	1.859	1.859	0.000	0.000	0.000	0.000
456	A	463	LYS	1	0.901	0.966	13.036	-52.693	-52.693	0.000	0.000	0.000	0.000
457	A	464	GLU	-1	-0.926	-0.973	15.937	58.211	58.211	0.000	0.000	0.000	0.000
458	A	465	ILE	0	-0.063	-0.008	9.484	0.710	0.710	0.000	0.000	0.000	0.000
459	A	466	LYS	1	0.965	0.978	11.964	-64.010	-64.010	0.000	0.000	0.000	0.000
460	A	467	PHE	0	0.000	0.003	7.057	1.063	1.063	0.000	0.000	0.000	0.000
461	A	468	GLU	-1	-0.946	-0.975	11.672	71.928	71.928	0.000	0.000	0.000	0.000
462	A	469	PHE	0	0.026	0.003	12.292	-2.444	-2.444	0.000	0.000	0.000	0.000
463	A	470	ASP	-1	-0.833	-0.913	14.945	61.512	61.512	0.000	0.000	0.000	0.000
464	A	471	THR	0	-0.020	0.000	12.170	3.675	3.675	0.000	0.000	0.000	0.000
465	A	472	ILE	0	-0.030	-0.013	12.749	-5.599	-5.599	0.000	0.000	0.000	0.000
466	A	473	ASP	-1	-0.853	-0.914	11.313	73.866	73.866	0.000	0.000	0.000	0.000
467	A	474	LYS	1	0.809	0.895	13.346	-62.039	-62.039	0.000	0.000	0.000	0.000
468	B	9	ALA	0	-0.022	-0.024	25.920	-0.312	-0.312	0.000	0.000	0.000	0.000
469	B	10	GLY	0	0.023	0.018	25.250	-0.165	-0.165	0.000	0.000	0.000	0.000
470	B	11	ALA	0	-0.005	-0.005	20.102	0.610	0.610	0.000	0.000	0.000	0.000
471	B	12	GLY	0	0.037	0.017	19.644	-0.494	-0.494	0.000	0.000	0.000	0.000
472	B	13	PHE	0	-0.068	-0.021	11.485	0.173	0.173	0.000	0.000	0.000	0.000
473	B	14	LYS	1	0.952	0.975	15.289	-61.907	-61.907	0.000	0.000	0.000	0.000
474	B	15	ALA	0	0.023	0.017	12.298	2.927	2.927	0.000	0.000	0.000	0.000
475	B	16	GLY	0	0.066	0.026	11.195	-4.462	-4.462	0.000	0.000	0.000	0.000
476	B	17	VAL	0	-0.003	0.000	9.229	3.232	3.232	0.000	0.000	0.000	0.000
477	B	18	LYS	1	0.883	0.948	11.418	-78.739	-78.739	0.000	0.000	0.000	0.000
478	B	19	ASP	-1	-0.865	-0.925	12.273	72.152	72.152	0.000	0.000	0.000	0.000
479	B	20	TYR	0	-0.036	-0.044	6.735	-3.920	-3.920	0.000	0.000	0.000	0.000
480	B	21	ARG	1	0.950	0.956	13.352	-58.915	-58.915	0.000	0.000	0.000	0.000
481	B	22	LEU	0	-0.055	-0.021	16.233	-3.197	-3.197	0.000	0.000	0.000	0.000
482	B	23	THR	0	-0.056	-0.023	13.907	-3.666	-3.666	0.000	0.000	0.000	0.000
483	B	24	TYR	0	-0.008	-0.015	11.111	-0.742	-0.742	0.000	0.000	0.000	0.000
484	B	25	TYR	0	0.020	0.025	16.148	-0.539	-0.539	0.000	0.000	0.000	0.000
485	B	26	THR	0	-0.072	-0.052	19.420	-0.833	-0.833	0.000	0.000	0.000	0.000
486	B	27	PRO	0	0.022	0.017	22.247	-0.285	-0.285	0.000	0.000	0.000	0.000
487	B	28	ASP	-1	-0.880	-0.923	25.421	41.084	41.084	0.000	0.000	0.000	0.000
488	B	29	TYR	0	-0.169	-0.106	23.801	-0.772	-0.772	0.000	0.000	0.000	0.000
489	B	30	VAL	0	0.012	0.006	26.095	-0.453	-0.453	0.000	0.000	0.000	0.000
490	B	31	VAL	0	-0.028	-0.012	24.892	0.617	0.617	0.000	0.000	0.000	0.000
491	B	32	ARG	1	0.953	0.978	25.197	-47.031	-47.031	0.000	0.000	0.000	0.000
492	B	33	ASP	-1	-0.869	-0.938	26.874	40.035	40.035	0.000	0.000	0.000	0.000
493	B	34	THR	0	-0.046	-0.042	25.044	-0.489	-0.489	0.000	0.000	0.000	0.000
494	B	35	ASP	-1	-0.816	-0.880	22.648	52.236	52.236	0.000	0.000	0.000	0.000
495	B	36	ILE	0	0.006	0.007	18.608	-1.883	-1.883	0.000	0.000	0.000	0.000
496	B	37	LEU	0	-0.044	-0.008	20.370	1.853	1.853	0.000	0.000	0.000	0.000
497	B	38	ALA	0	0.020	0.019	17.546	-0.518	-0.518	0.000	0.000	0.000	0.000
498	B	39	ALA	0	0.011	0.018	19.456	-0.236	-0.236	0.000	0.000	0.000	0.000
499	B	40	PHE	0	0.010	-0.004	13.651	0.570	0.570	0.000	0.000	0.000	0.000
500	B	41	ARG	1	0.839	0.915	18.608	-51.272	-51.272	0.000	0.000	0.000	0.000
501	B	42	MET	0	-0.012	-0.005	16.374	3.889	3.889	0.000	0.000	0.000	0.000
502	B	43	THR	0	0.017	0.006	17.583	-4.453	-4.453	0.000	0.000	0.000	0.000
503	B	44	PRO	0	0.022	0.018	17.240	4.224	4.224	0.000	0.000	0.000	0.000
504	B	45	GLN	0	-0.011	0.001	13.859	-8.007	-8.007	0.000	0.000	0.000	0.000
505	B	46	PRO	0	0.030	-0.001	18.101	-1.204	-1.204	0.000	0.000	0.000	0.000
506	B	47	GLY	0	-0.010	0.001	20.491	1.576	1.576	0.000	0.000	0.000	0.000
507	B	48	VAL	0	-0.029	-0.003	16.055	1.091	1.091	0.000	0.000	0.000	0.000
508	B	49	PRO	0	-0.020	-0.008	18.641	-1.350	-1.350	0.000	0.000	0.000	0.000
509	B	50	PRO	0	0.071	0.032	19.156	3.677	3.677	0.000	0.000	0.000	0.000
510	B	51	GLU	-1	-0.875	-0.950	19.413	54.775	54.775	0.000	0.000	0.000	0.000
511	B	52	GLU	-1	-0.776	-0.892	13.919	78.525	78.525	0.000	0.000	0.000	0.000
512	B	53	CYS	0	-0.018	-0.002	15.021	5.779	5.779	0.000	0.000	0.000	0.000
513	B	54	GLY	0	0.043	0.006	14.590	4.079	4.079	0.000	0.000	0.000	0.000
514	B	55	ALA	0	-0.039	-0.016	15.435	1.879	1.879	0.000	0.000	0.000	0.000
515	B	56	ALA	0	0.008	0.003	11.154	3.721	3.721	0.000	0.000	0.000	0.000
516	B	57	VAL	0	-0.008	0.000	10.648	7.983	7.983	0.000	0.000	0.000	0.000
517	B	58	ALA	0	0.027	0.013	11.425	2.788	2.788	0.000	0.000	0.000	0.000
518	B	59	ALA	0	-0.020	0.008	10.033	1.236	1.236	0.000	0.000	0.000	0.000
519	B	60	GLU	-1	-0.759	-0.885	5.458	179.438	179.438	0.000	0.000	0.000	0.000
520	B	61	SER	0	0.017	0.041	7.068	6.208	6.208	0.000	0.000	0.000	0.000
521	B	62	SER	0	-0.052	-0.055	9.731	-7.132	-7.132	0.000	0.000	0.000	0.000
522	B	63	THR	0	-0.004	-0.008	9.871	2.570	2.570	0.000	0.000	0.000	0.000
523	B	64	GLY	0	-0.005	0.010	8.005	2.459	2.459	0.000	0.000	0.000	0.000
527	B	68	THR	0	-0.066	-0.024	6.696	4.876	4.876	0.000	0.000	0.000	0.000
528	B	69	VAL	0	0.034	0.011	5.852	0.805	0.805	0.000	0.000	0.000	0.000
529	B	70	TRP	0	-0.044	-0.034	8.927	-8.631	-8.631	0.000	0.000	0.000	0.000
530	B	71	THR	0	-0.048	-0.070	9.699	-5.323	-5.323	0.000	0.000	0.000	0.000
531	B	72	ASP	-1	-0.845	-0.927	10.600	86.165	86.165	0.000	0.000	0.000	0.000
532	B	73	GLY	0	-0.052	-0.023	12.958	-3.600	-3.600	0.000	0.000	0.000	0.000
533	B	74	LEU	0	-0.091	-0.038	15.293	-3.818	-3.818	0.000	0.000	0.000	0.000
534	B	75	THR	0	-0.056	-0.035	14.300	-3.425	-3.425	0.000	0.000	0.000	0.000
535	B	76	SER	0	-0.011	0.000	17.309	-1.110	-1.110	0.000	0.000	0.000	0.000
536	B	77	LEU	0	0.077	0.016	12.121	-0.437	-0.437	0.000	0.000	0.000	0.000
537	B	78	ASP	-1	-0.944	-0.966	16.141	55.407	55.407	0.000	0.000	0.000	0.000
538	B	79	ARG	1	0.880	0.951	19.394	-52.240	-52.240	0.000	0.000	0.000	0.000
539	B	80	TYR	0	-0.004	-0.011	15.144	-1.226	-1.226	0.000	0.000	0.000	0.000
540	B	81	LYS	1	0.845	0.940	14.538	-59.418	-59.418	0.000	0.000	0.000	0.000
541	B	82	GLY	0	0.053	0.024	14.520	-3.863	-3.863	0.000	0.000	0.000	0.000
542	B	83	ARG	1	0.853	0.928	16.064	-54.066	-54.066	0.000	0.000	0.000	0.000
543	B	84	CYS	0	-0.022	0.001	17.657	-1.597	-1.597	0.000	0.000	0.000	0.000
544	B	85	TYR	0	0.008	-0.019	19.310	-0.438	-0.438	0.000	0.000	0.000	0.000
545	B	86	ASP	-1	-0.844	-0.925	22.640	42.946	42.946	0.000	0.000	0.000	0.000
546	B	87	ILE	0	-0.067	-0.030	20.822	2.945	2.945	0.000	0.000	0.000	0.000
547	B	88	GLU	-1	-0.810	-0.890	24.130	41.537	41.537	0.000	0.000	0.000	0.000
548	B	89	PRO	0	0.005	0.012	25.490	1.873	1.873	0.000	0.000	0.000	0.000
549	B	90	VAL	0	-0.011	-0.010	25.096	-0.914	-0.914	0.000	0.000	0.000	0.000
550	B	91	PRO	0	-0.010	-0.005	28.073	-0.448	-0.448	0.000	0.000	0.000	0.000
551	B	92	GLY	0	-0.021	-0.021	30.998	0.076	0.076	0.000	0.000	0.000	0.000
552	B	93	GLU	-1	-0.902	-0.947	26.376	44.546	44.546	0.000	0.000	0.000	0.000
553	B	94	ASP	-1	-0.911	-0.946	27.772	41.058	41.058	0.000	0.000	0.000	0.000
554	B	95	ASN	0	-0.096	-0.068	20.962	0.364	0.364	0.000	0.000	0.000	0.000
555	B	96	GLN	0	0.068	0.029	22.176	1.704	1.704	0.000	0.000	0.000	0.000
556	B	97	TYR	0	0.014	0.000	21.643	-2.467	-2.467	0.000	0.000	0.000	0.000
557	B	98	ILE	0	-0.034	-0.011	21.574	2.479	2.479	0.000	0.000	0.000	0.000
558	B	99	ALA	0	0.005	0.010	18.389	-1.168	-1.168	0.000	0.000	0.000	0.000
559	B	100	TYR	0	-0.037	-0.023	19.882	1.306	1.306	0.000	0.000	0.000	0.000
560	B	101	VAL	0	0.001	-0.006	15.522	0.662	0.662	0.000	0.000	0.000	0.000
561	B	102	ALA	0	-0.011	0.001	18.903	-1.514	-1.514	0.000	0.000	0.000	0.000
562	B	103	TYR	0	-0.034	-0.046	13.292	1.812	1.812	0.000	0.000	0.000	0.000
563	B	104	HYP	0	0.004	0.009	17.281	-3.163	-3.163	0.000	0.000	0.000	0.000
564	B	105	ILE	0	0.054	0.015	18.641	2.280	2.280	0.000	0.000	0.000	0.000
565	B	106	ASP	-1	-0.906	-0.963	18.773	53.636	53.636	0.000	0.000	0.000	0.000
566	B	107	LEU	0	-0.092	-0.048	13.704	1.782	1.782	0.000	0.000	0.000	0.000
567	B	108	PHE	0	-0.024	0.000	14.671	4.356	4.356	0.000	0.000	0.000	0.000
568	B	109	GLU	-1	-0.799	-0.891	16.133	58.322	58.322	0.000	0.000	0.000	0.000
569	B	110	GLU	-1	-0.799	-0.885	17.874	51.488	51.488	0.000	0.000	0.000	0.000
570	B	111	GLY	0	0.041	0.028	21.440	0.084	0.084	0.000	0.000	0.000	0.000
571	B	112	SER	0	-0.022	-0.006	16.440	0.124	0.124	0.000	0.000	0.000	0.000
572	B	113	VAL	0	0.032	0.013	17.555	2.149	2.149	0.000	0.000	0.000	0.000
573	B	114	THR	0	0.004	0.002	13.570	1.847	1.847	0.000	0.000	0.000	0.000
574	B	115	ASN	0	0.004	0.012	12.347	2.275	2.275	0.000	0.000	0.000	0.000
575	B	116	MET	0	-0.011	0.009	12.780	3.592	3.592	0.000	0.000	0.000	0.000
576	B	117	PHE	0	0.005	-0.014	12.663	2.037	2.037	0.000	0.000	0.000	0.000
577	B	118	THR	0	0.000	0.018	7.989	3.262	3.262	0.000	0.000	0.000	0.000
578	B	119	SER	0	0.001	-0.002	8.280	11.727	11.727	0.000	0.000	0.000	0.000
579	B	120	ILE	0	-0.043	-0.006	9.672	5.244	5.244	0.000	0.000	0.000	0.000
580	B	121	VAL	0	-0.014	-0.024	10.443	0.542	0.542	0.000	0.000	0.000	0.000
581	B	122	GLY	0	0.019	0.030	6.623	2.840	2.840	0.000	0.000	0.000	0.000
584	B	125	PHE	0	0.019	0.012	8.237	-3.677	-3.677	0.000	0.000	0.000	0.000
585	B	126	GLY	0	0.032	0.010	5.900	-6.832	-6.832	0.000	0.000	0.000	0.000
586	B	127	PHE	0	-0.013	0.006	5.164	4.126	4.126	0.000	0.000	0.000	0.000
587	B	128	LYS	1	0.842	0.924	8.537	-119.509	-119.509	0.000	0.000	0.000	0.000
588	B	129	ALA	0	-0.008	0.006	10.402	-7.472	-7.472	0.000	0.000	0.000	0.000
589	B	130	LEU	0	-0.044	-0.018	11.779	-6.796	-6.796	0.000	0.000	0.000	0.000
590	B	131	ARG	1	0.841	0.910	12.956	-58.568	-58.568	0.000	0.000	0.000	0.000
591	B	132	ALA	0	-0.004	-0.005	14.663	0.020	0.020	0.000	0.000	0.000	0.000
592	B	133	LEU	0	-0.018	-0.004	12.369	-0.598	-0.598	0.000	0.000	0.000	0.000
593	B	134	ARG	1	0.849	0.931	15.416	-50.921	-50.921	0.000	0.000	0.000	0.000
594	B	135	LEU	0	-0.034	0.009	15.443	-1.415	-1.415	0.000	0.000	0.000	0.000
595	B	136	GLU	-1	-0.776	-0.896	17.625	48.518	48.518	0.000	0.000	0.000	0.000
596	B	137	ASP	-1	-0.796	-0.915	20.931	44.327	44.327	0.000	0.000	0.000	0.000
597	B	138	LEU	0	-0.006	-0.010	17.324	2.740	2.740	0.000	0.000	0.000	0.000
598	B	139	ARG	1	0.866	0.958	21.470	-47.636	-47.636	0.000	0.000	0.000	0.000
599	B	140	ILE	0	0.011	-0.015	21.084	1.858	1.858	0.000	0.000	0.000	0.000
600	B	141	PRO	0	0.008	0.031	23.432	-2.078	-2.078	0.000	0.000	0.000	0.000
601	B	142	PRO	0	0.131	0.045	26.495	0.826	0.826	0.000	0.000	0.000	0.000
602	B	143	ALA	0	-0.033	-0.020	26.819	-0.074	-0.074	0.000	0.000	0.000	0.000
603	B	144	TYR	0	0.000	-0.023	18.811	0.540	0.540	0.000	0.000	0.000	0.000
604	B	145	VAL	0	0.028	0.028	24.684	0.484	0.484	0.000	0.000	0.000	0.000
605	B	146	LYS	1	0.937	0.956	26.777	-36.231	-36.231	0.000	0.000	0.000	0.000
606	B	147	THR	0	-0.090	-0.047	23.976	-0.083	-0.083	0.000	0.000	0.000	0.000
607	B	148	PHE	0	-0.015	-0.004	20.668	0.809	0.809	0.000	0.000	0.000	0.000
608	B	149	VAL	0	-0.024	-0.003	26.331	-1.290	-1.290	0.000	0.000	0.000	0.000
609	B	150	GLY	0	0.028	0.022	27.590	-1.283	-1.283	0.000	0.000	0.000	0.000
610	B	151	HYP	0	-0.049	-0.041	28.818	-0.043	-0.043	0.000	0.000	0.000	0.000
611	B	152	PRO	0	-0.029	0.004	30.556	-0.680	-0.680	0.000	0.000	0.000	0.000
612	B	153	HIS	0	-0.047	-0.029	33.343	-1.574	-1.574	0.000	0.000	0.000	0.000
613	B	154	GLY	0	0.041	0.021	35.067	-0.245	-0.245	0.000	0.000	0.000	0.000
614	B	155	ILE	0	-0.028	-0.018	35.910	-0.858	-0.858	0.000	0.000	0.000	0.000
615	B	156	GLN	0	-0.047	-0.020	38.457	-0.156	-0.156	0.000	0.000	0.000	0.000
616	B	157	VAL	0	0.061	0.029	39.456	-0.638	-0.638	0.000	0.000	0.000	0.000
617	B	158	GLU	-1	-0.804	-0.879	37.899	30.776	30.776	0.000	0.000	0.000	0.000
618	B	159	ARG	1	0.812	0.890	40.786	-28.192	-28.192	0.000	0.000	0.000	0.000
619	B	160	ASP	-1	-0.817	-0.900	43.876	25.900	25.900	0.000	0.000	0.000	0.000
620	B	161	LYS	1	0.793	0.917	40.193	-29.920	-29.920	0.000	0.000	0.000	0.000
621	B	162	LEU	0	-0.013	-0.007	41.495	-0.541	-0.541	0.000	0.000	0.000	0.000
622	B	163	ASN	0	-0.029	-0.009	45.769	-0.437	-0.437	0.000	0.000	0.000	0.000
623	B	164	LYS	1	0.774	0.899	45.129	-26.028	-26.028	0.000	0.000	0.000	0.000
624	B	165	TYR	0	-0.015	-0.030	46.519	0.472	0.472	0.000	0.000	0.000	0.000
625	B	166	GLY	0	0.025	0.020	48.107	-0.432	-0.432	0.000	0.000	0.000	0.000
626	B	167	ARG	1	0.769	0.875	46.450	-25.654	-25.654	0.000	0.000	0.000	0.000
627	B	168	GLY	0	0.045	0.033	43.398	0.379	0.379	0.000	0.000	0.000	0.000
628	B	169	LEU	0	-0.027	-0.017	40.470	-0.598	-0.598	0.000	0.000	0.000	0.000
629	B	170	LEU	0	0.003	0.006	42.082	0.377	0.377	0.000	0.000	0.000	0.000
630	B	171	GLY	0	0.046	0.005	39.881	-0.143	-0.143	0.000	0.000	0.000	0.000
631	B	172	CYS	0	-0.057	-0.013	39.889	-0.350	-0.350	0.000	0.000	0.000	0.000
632	B	173	THR	0	0.102	0.033	34.537	-0.190	-0.190	0.000	0.000	0.000	0.000
633	B	174	ILE	0	-0.018	-0.012	37.628	-0.677	-0.677	0.000	0.000	0.000	0.000
634	B	175	LYS	1	0.828	0.907	34.599	-32.147	-32.147	0.000	0.000	0.000	0.000
635	B	176	PRO	0	0.043	0.042	38.135	-0.878	-0.878	0.000	0.000	0.000	0.000
636	B	177	LYS	1	0.774	0.892	30.534	-36.414	-36.414	0.000	0.000	0.000	0.000
637	B	178	LEU	0	-0.025	-0.010	30.545	0.123	0.123	0.000	0.000	0.000	0.000
638	B	179	GLY	0	0.057	0.022	35.209	-0.577	-0.577	0.000	0.000	0.000	0.000
639	B	180	LEU	0	-0.051	-0.006	38.195	-0.958	-0.958	0.000	0.000	0.000	0.000
640	B	181	SER	0	0.052	0.022	39.679	0.415	0.415	0.000	0.000	0.000	0.000
641	B	182	ALA	0	0.098	0.034	41.176	-0.079	-0.079	0.000	0.000	0.000	0.000
642	B	183	LYS	1	0.946	0.985	42.122	-23.838	-23.838	0.000	0.000	0.000	0.000
643	B	184	ASN	0	-0.009	-0.025	44.397	-0.852	-0.852	0.000	0.000	0.000	0.000
644	B	185	TYR	0	0.086	0.049	36.356	-0.206	-0.206	0.000	0.000	0.000	0.000
645	B	186	GLY	0	0.052	0.028	42.582	-0.030	-0.030	0.000	0.000	0.000	0.000
646	B	187	ARG	1	0.901	0.946	44.887	-24.148	-24.148	0.000	0.000	0.000	0.000
647	B	188	ALA	0	0.000	0.000	43.739	-0.396	-0.396	0.000	0.000	0.000	0.000
648	B	189	VAL	0	0.068	0.027	41.901	-0.179	-0.179	0.000	0.000	0.000	0.000
649	B	190	TYR	0	-0.082	-0.078	44.617	-0.311	-0.311	0.000	0.000	0.000	0.000
650	B	191	GLU	-1	-0.901	-0.959	48.216	22.577	22.577	0.000	0.000	0.000	0.000
651	B	192	CYS	0	-0.050	-0.026	43.653	-0.314	-0.314	0.000	0.000	0.000	0.000
652	B	193	LEU	0	0.023	0.017	43.797	-0.308	-0.308	0.000	0.000	0.000	0.000
653	B	194	ARG	1	0.736	0.842	47.474	-22.437	-22.437	0.000	0.000	0.000	0.000
654	B	195	GLY	0	-0.031	-0.009	50.201	-0.452	-0.452	0.000	0.000	0.000	0.000
655	B	196	GLY	0	0.003	0.006	50.043	-0.229	-0.229	0.000	0.000	0.000	0.000
656	B	197	LEU	0	-0.017	0.001	43.691	0.132	0.132	0.000	0.000	0.000	0.000
657	B	198	ASP	-1	-0.753	-0.842	43.576	25.868	25.868	0.000	0.000	0.000	0.000
658	B	199	PHE	0	0.005	-0.004	39.832	0.014	0.014	0.000	0.000	0.000	0.000
659	B	200	THR	0	-0.035	-0.045	40.524	-0.503	-0.503	0.000	0.000	0.000	0.000
660	B	201	KCX	-1	-0.515	-0.795	32.199	36.251	36.251	0.000	0.000	0.000	0.000
661	B	202	ASP	-1	-0.707	-0.828	33.580	31.986	31.986	0.000	0.000	0.000	0.000
662	B	203	ASP	0	0.190	0.044	32.913	0.375	0.375	0.000	0.000	0.000	0.000
663	B	204	GLU	0	0.156	-0.029	27.281	-0.062	-0.062	0.000	0.000	0.000	0.000
664	B	476	merge:B:AS	-1	-2.216	-1.540	27.113	35.698	35.698	0.000	0.000	0.000	0.000
665	B	205	ASN	0	0.006	0.001	27.717	-0.041	-0.041	0.000	0.000	0.000	0.000
666	B	206	VAL	0	-0.043	-0.001	28.757	-0.252	-0.252	0.000	0.000	0.000	0.000
667	B	207	ASN	0	-0.022	-0.007	26.917	1.517	1.517	0.000	0.000	0.000	0.000
668	B	208	SER	0	0.026	0.003	30.525	-1.851	-1.851	0.000	0.000	0.000	0.000
669	B	209	GLN	0	0.018	-0.001	30.282	0.318	0.318	0.000	0.000	0.000	0.000
670	B	210	PRO	0	0.004	0.006	32.848	-1.045	-1.045	0.000	0.000	0.000	0.000
671	B	211	PHE	0	-0.018	0.001	33.656	-0.933	-0.933	0.000	0.000	0.000	0.000
672	B	212	MET	0	-0.090	-0.030	36.367	-1.264	-1.264	0.000	0.000	0.000	0.000
673	B	213	ARG	1	0.851	0.929	32.903	-32.483	-32.483	0.000	0.000	0.000	0.000
674	B	214	TRP	0	0.047	0.007	33.559	-0.965	-0.965	0.000	0.000	0.000	0.000
675	B	215	ARG	1	0.978	0.994	35.917	-28.961	-28.961	0.000	0.000	0.000	0.000
676	B	216	ASP	-1	-0.889	-0.947	38.755	27.701	27.701	0.000	0.000	0.000	0.000
677	B	217	ARG	1	0.786	0.863	33.456	-33.773	-33.773	0.000	0.000	0.000	0.000
678	B	218	PHE	0	0.006	-0.005	34.137	-0.626	-0.626	0.000	0.000	0.000	0.000
679	B	219	LEU	0	0.015	0.008	40.076	-0.478	-0.478	0.000	0.000	0.000	0.000
680	B	220	PHE	0	-0.005	-0.009	43.590	-0.685	-0.685	0.000	0.000	0.000	0.000
681	B	221	VAL	0	-0.003	0.001	40.159	-0.544	-0.544	0.000	0.000	0.000	0.000
682	B	222	ALA	0	0.019	0.013	43.315	-0.328	-0.328	0.000	0.000	0.000	0.000
683	B	223	GLU	-1	-0.978	-0.984	44.870	23.232	23.232	0.000	0.000	0.000	0.000
684	B	224	ALA	0	-0.029	-0.020	45.675	-0.540	-0.540	0.000	0.000	0.000	0.000
685	B	225	ILE	0	0.021	0.012	42.072	-0.382	-0.382	0.000	0.000	0.000	0.000
686	B	226	TYR	0	-0.039	-0.035	46.027	-0.503	-0.503	0.000	0.000	0.000	0.000
687	B	227	LYS	1	0.904	0.969	49.749	-22.564	-22.564	0.000	0.000	0.000	0.000
688	B	228	ALA	0	0.031	0.003	48.891	-0.486	-0.486	0.000	0.000	0.000	0.000
689	B	229	GLN	0	0.013	0.020	48.557	0.165	0.165	0.000	0.000	0.000	0.000
690	B	230	ALA	0	-0.005	0.003	51.307	-0.368	-0.368	0.000	0.000	0.000	0.000
691	B	231	GLU	-1	-0.825	-0.881	54.291	21.542	21.542	0.000	0.000	0.000	0.000
692	B	232	THR	0	-0.018	-0.023	52.096	-0.254	-0.254	0.000	0.000	0.000	0.000
693	B	233	GLY	0	-0.003	0.012	54.529	-0.277	-0.277	0.000	0.000	0.000	0.000
694	B	234	GLU	-1	-0.780	-0.883	50.402	23.584	23.584	0.000	0.000	0.000	0.000
695	B	235	VAL	0	0.018	0.008	45.896	0.050	0.050	0.000	0.000	0.000	0.000
696	B	236	LYS	1	0.840	0.933	45.897	-24.509	-24.509	0.000	0.000	0.000	0.000
697	B	237	GLY	0	0.022	-0.002	42.045	0.095	0.095	0.000	0.000	0.000	0.000
698	B	238	HIS	0	-0.018	-0.012	37.497	-0.871	-0.871	0.000	0.000	0.000	0.000
699	B	239	TYR	0	-0.016	-0.013	34.437	-0.138	-0.138	0.000	0.000	0.000	0.000
700	B	240	LEU	0	-0.014	-0.002	35.405	0.262	0.262	0.000	0.000	0.000	0.000
701	B	241	ASN	0	0.011	-0.005	28.887	1.333	1.333	0.000	0.000	0.000	0.000
702	B	242	ALA	0	-0.018	-0.011	29.943	-0.496	-0.496	0.000	0.000	0.000	0.000
703	B	243	THR	0	-0.006	0.003	24.390	1.202	1.202	0.000	0.000	0.000	0.000
704	B	244	ALA	0	0.001	-0.002	25.326	-1.241	-1.241	0.000	0.000	0.000	0.000
705	B	245	GLY	0	0.027	0.011	22.996	1.704	1.704	0.000	0.000	0.000	0.000
706	B	246	THR	0	0.025	0.018	22.137	1.536	1.536	0.000	0.000	0.000	0.000
707	B	248	GLU	-1	-0.824	-0.905	24.955	43.722	43.722	0.000	0.000	0.000	0.000
708	B	249	GLU	-1	-0.822	-0.899	27.468	34.971	34.971	0.000	0.000	0.000	0.000
709	B	250	MET	0	-0.016	0.013	25.595	-0.895	-0.895	0.000	0.000	0.000	0.000
710	B	251	MET	0	-0.015	-0.009	27.513	-1.671	-1.671	0.000	0.000	0.000	0.000
711	B	252	LYS	1	0.839	0.909	30.712	-36.424	-36.424	0.000	0.000	0.000	0.000
712	B	253	ARG	1	0.746	0.860	29.676	-38.948	-38.948	0.000	0.000	0.000	0.000
713	B	254	ALA	0	0.044	0.020	31.995	-1.032	-1.032	0.000	0.000	0.000	0.000
714	B	255	VAL	0	0.002	0.005	33.929	-0.895	-0.895	0.000	0.000	0.000	0.000
715	B	256	SMC	0	-0.058	-0.013	36.598	-1.032	-1.032	0.000	0.000	0.000	0.000
716	B	257	ALA	0	0.039	0.010	36.877	-0.871	-0.871	0.000	0.000	0.000	0.000
717	B	258	LYS	1	0.903	0.934	38.173	-30.619	-30.619	0.000	0.000	0.000	0.000
718	B	259	GLU	-1	-1.021	-1.016	39.928	28.313	28.313	0.000	0.000	0.000	0.000
719	B	260	LEU	0	-0.063	-0.021	40.952	-0.796	-0.796	0.000	0.000	0.000	0.000
720	B	261	GLY	0	0.014	0.019	43.172	-0.628	-0.628	0.000	0.000	0.000	0.000
721	B	262	VAL	0	-0.037	-0.014	39.897	-0.308	-0.308	0.000	0.000	0.000	0.000
722	B	263	PRO	0	0.034	0.012	41.090	0.498	0.498	0.000	0.000	0.000	0.000
723	B	264	ILE	0	-0.029	-0.011	35.924	0.414	0.414	0.000	0.000	0.000	0.000
724	B	265	ILE	0	0.001	0.011	31.919	-0.321	-0.321	0.000	0.000	0.000	0.000
725	B	266	MET	0	-0.051	-0.013	29.907	-0.319	-0.319	0.000	0.000	0.000	0.000
726	B	267	HIS	0	-0.029	-0.023	22.827	0.314	0.314	0.000	0.000	0.000	0.000
727	B	268	ASP	-1	-0.766	-0.895	23.954	41.991	41.991	0.000	0.000	0.000	0.000
728	B	269	TYR	0	-0.049	-0.035	21.555	1.412	1.412	0.000	0.000	0.000	0.000
729	B	270	LEU	0	-0.029	-0.002	17.869	2.217	2.217	0.000	0.000	0.000	0.000
730	B	271	THR	0	-0.031	-0.021	17.755	2.452	2.452	0.000	0.000	0.000	0.000
731	B	272	GLY	0	0.020	0.018	19.107	1.040	1.040	0.000	0.000	0.000	0.000
732	B	273	GLY	0	0.001	-0.006	17.874	2.040	2.040	0.000	0.000	0.000	0.000
733	B	274	PHE	0	0.068	0.008	16.344	-3.434	-3.434	0.000	0.000	0.000	0.000
734	B	275	THR	0	-0.008	0.020	17.309	-1.274	-1.274	0.000	0.000	0.000	0.000
735	B	276	ALA	0	0.034	-0.002	19.590	-2.266	-2.266	0.000	0.000	0.000	0.000
736	B	277	ASN	0	0.027	0.005	21.863	-2.936	-2.936	0.000	0.000	0.000	0.000
737	B	278	THR	0	0.013	0.018	21.720	-1.979	-1.979	0.000	0.000	0.000	0.000
738	B	279	SER	0	-0.018	-0.013	23.970	-0.668	-0.668	0.000	0.000	0.000	0.000
739	B	280	LEU	0	-0.003	0.003	25.745	-1.935	-1.935	0.000	0.000	0.000	0.000
740	B	281	ALA	0	0.032	0.017	27.367	-1.782	-1.782	0.000	0.000	0.000	0.000
741	B	282	ILE	0	0.009	0.000	26.121	-1.376	-1.376	0.000	0.000	0.000	0.000
742	B	283	TYR	0	0.042	0.019	29.915	-1.660	-1.660	0.000	0.000	0.000	0.000
743	B	284	CYS	0	-0.038	-0.020	31.855	-1.392	-1.392	0.000	0.000	0.000	0.000
744	B	285	ARG	1	0.848	0.915	32.966	-36.237	-36.237	0.000	0.000	0.000	0.000
745	B	286	ASP	-1	-0.931	-0.959	33.485	33.593	33.593	0.000	0.000	0.000	0.000
746	B	287	ASN	0	-0.102	-0.050	35.336	-1.812	-1.812	0.000	0.000	0.000	0.000
747	B	288	GLY	0	-0.034	0.002	37.842	-0.730	-0.730	0.000	0.000	0.000	0.000
748	B	289	LEU	0	-0.022	-0.011	35.620	-0.570	-0.570	0.000	0.000	0.000	0.000
749	B	290	LEU	0	-0.022	-0.013	35.960	0.607	0.607	0.000	0.000	0.000	0.000
750	B	291	LEU	0	0.016	-0.005	28.488	0.023	0.023	0.000	0.000	0.000	0.000
751	B	292	HIS	0	-0.010	-0.010	31.437	-0.133	-0.133	0.000	0.000	0.000	0.000
752	B	293	ILE	0	0.036	0.017	25.884	0.592	0.592	0.000	0.000	0.000	0.000
753	B	294	HIS	0	0.713	0.621	27.122	0.603	0.603	0.000	0.000	0.000	0.000
754	B	295	ARG	1	0.778	0.854	24.108	-39.688	-39.688	0.000	0.000	0.000	0.000
755	B	296	ALA	0	0.028	0.010	23.354	1.337	1.337	0.000	0.000	0.000	0.000
756	B	297	MET	0	0.010	-0.003	14.837	1.320	1.320	0.000	0.000	0.000	0.000
757	B	298	HIS	1	0.831	0.887	19.349	-43.853	-43.853	0.000	0.000	0.000	0.000
758	B	299	ALA	0	0.010	0.023	20.251	1.408	1.408	0.000	0.000	0.000	0.000
759	B	300	VAL	0	-0.033	-0.005	15.986	0.287	0.287	0.000	0.000	0.000	0.000
760	B	301	ILE	0	-0.028	-0.018	15.051	2.651	2.651	0.000	0.000	0.000	0.000
761	B	302	ASP	-1	-0.783	-0.875	17.304	50.196	50.196	0.000	0.000	0.000	0.000
762	B	303	ARG	1	0.809	0.911	20.517	-43.994	-43.994	0.000	0.000	0.000	0.000
763	B	304	GLN	0	-0.038	-0.032	19.955	-2.253	-2.253	0.000	0.000	0.000	0.000
764	B	305	ARG	1	0.903	0.954	21.247	-42.281	-42.281	0.000	0.000	0.000	0.000
765	B	306	ASN	0	-0.016	-0.023	19.042	0.144	0.144	0.000	0.000	0.000	0.000
766	B	307	HIS	0	-0.014	-0.019	11.990	-0.554	-0.554	0.000	0.000	0.000	0.000
767	B	308	GLY	0	0.049	0.038	15.234	-2.034	-2.034	0.000	0.000	0.000	0.000
768	B	309	ILE	0	-0.035	-0.028	13.798	1.795	1.795	0.000	0.000	0.000	0.000
769	B	310	HIS	0	0.046	0.035	17.801	-1.157	-1.157	0.000	0.000	0.000	0.000
770	B	311	PHE	0	0.067	0.022	21.361	0.783	0.783	0.000	0.000	0.000	0.000
771	B	312	ARG	1	0.904	0.938	23.305	-45.999	-45.999	0.000	0.000	0.000	0.000
772	B	313	VAL	0	-0.025	-0.002	18.227	-0.538	-0.538	0.000	0.000	0.000	0.000
773	B	314	LEU	0	-0.018	-0.008	17.736	0.467	0.467	0.000	0.000	0.000	0.000
774	B	315	ALA	0	0.013	0.017	21.224	-0.556	-0.556	0.000	0.000	0.000	0.000
775	B	316	LYS	1	0.838	0.914	22.906	-46.840	-46.840	0.000	0.000	0.000	0.000
776	B	317	ALA	0	0.020	0.007	19.710	-0.447	-0.447	0.000	0.000	0.000	0.000
777	B	318	LEU	0	-0.007	0.005	21.607	-0.173	-0.173	0.000	0.000	0.000	0.000
778	B	319	ARG	1	0.785	0.906	24.140	-38.516	-38.516	0.000	0.000	0.000	0.000
779	B	320	MET	0	-0.011	-0.006	21.106	-0.874	-0.874	0.000	0.000	0.000	0.000
780	B	321	SER	0	-0.068	-0.035	21.923	-0.682	-0.682	0.000	0.000	0.000	0.000
781	B	322	GLY	0	0.025	0.003	23.888	-0.742	-0.742	0.000	0.000	0.000	0.000
782	B	323	GLY	0	0.031	-0.015	27.343	0.756	0.756	0.000	0.000	0.000	0.000
783	B	324	ASP	-1	-0.734	-0.855	29.682	34.180	34.180	0.000	0.000	0.000	0.000
784	B	325	HIS	1	0.747	0.855	32.409	-33.598	-33.598	0.000	0.000	0.000	0.000
785	B	326	LEU	0	0.028	0.011	26.102	1.136	1.136	0.000	0.000	0.000	0.000
786	B	327	HIS	0	-0.014	0.001	28.766	-1.173	-1.173	0.000	0.000	0.000	0.000
787	B	328	SER	0	0.023	0.000	28.772	1.171	1.171	0.000	0.000	0.000	0.000
788	B	329	GLY	0	0.030	0.020	30.805	0.420	0.420	0.000	0.000	0.000	0.000
789	B	330	THR	0	0.015	-0.001	31.756	-0.813	-0.813	0.000	0.000	0.000	0.000
790	B	331	ALA	0	0.056	0.049	34.076	-0.894	-0.894	0.000	0.000	0.000	0.000
791	B	332	VAL	0	-0.029	-0.024	35.461	-0.043	-0.043	0.000	0.000	0.000	0.000
792	B	333	GLY	0	-0.002	0.014	36.483	-0.653	-0.653	0.000	0.000	0.000	0.000
793	B	334	LYS	1	0.784	0.881	32.890	-33.557	-33.557	0.000	0.000	0.000	0.000
794	B	335	LEU	0	-0.015	-0.002	28.786	0.566	0.566	0.000	0.000	0.000	0.000
795	B	336	GLU	-1	-0.784	-0.888	28.021	39.952	39.952	0.000	0.000	0.000	0.000
796	B	337	GLY	0	0.020	-0.002	29.583	0.922	0.922	0.000	0.000	0.000	0.000
797	B	338	GLU	-1	-0.832	-0.908	30.948	33.913	33.913	0.000	0.000	0.000	0.000
798	B	339	ARG	1	0.891	0.927	32.987	-29.164	-29.164	0.000	0.000	0.000	0.000
799	B	340	GLU	-1	-0.873	-0.940	34.920	32.022	32.022	0.000	0.000	0.000	0.000
800	B	341	VAL	0	-0.018	-0.013	28.536	0.562	0.562	0.000	0.000	0.000	0.000
801	B	342	THR	0	-0.069	-0.052	31.060	0.891	0.891	0.000	0.000	0.000	0.000
802	B	343	LEU	0	-0.024	-0.020	32.437	0.014	0.014	0.000	0.000	0.000	0.000
803	B	344	GLY	0	0.038	0.037	31.861	-0.238	-0.238	0.000	0.000	0.000	0.000
804	B	345	PHE	0	-0.033	-0.028	28.137	0.485	0.485	0.000	0.000	0.000	0.000
805	B	346	VAL	0	0.011	-0.004	30.016	0.335	0.335	0.000	0.000	0.000	0.000
806	B	347	ASP	-1	-0.854	-0.913	33.009	32.873	32.873	0.000	0.000	0.000	0.000
807	B	348	LEU	0	-0.091	-0.043	27.269	0.440	0.440	0.000	0.000	0.000	0.000
808	B	349	MET	0	-0.075	-0.016	29.197	0.703	0.703	0.000	0.000	0.000	0.000
809	B	350	ARG	1	0.838	0.915	30.995	-31.932	-31.932	0.000	0.000	0.000	0.000
810	B	351	ASP	-1	-0.872	-0.922	34.348	31.833	31.833	0.000	0.000	0.000	0.000
811	B	352	ASP	-1	-0.898	-0.957	33.844	34.659	34.659	0.000	0.000	0.000	0.000
812	B	353	TYR	0	-0.018	-0.016	34.052	1.167	1.167	0.000	0.000	0.000	0.000
813	B	354	VAL	0	0.011	0.017	31.821	-0.618	-0.618	0.000	0.000	0.000	0.000
814	B	355	GLU	-1	-0.863	-0.945	32.554	34.837	34.837	0.000	0.000	0.000	0.000
815	B	356	LYS	1	0.923	0.965	30.397	-39.033	-39.033	0.000	0.000	0.000	0.000
816	B	357	ASP	-1	-0.788	-0.885	31.917	33.008	33.008	0.000	0.000	0.000	0.000
817	B	358	ARG	1	0.854	0.919	28.390	-41.756	-41.756	0.000	0.000	0.000	0.000
818	B	359	SER	0	-0.109	-0.058	31.945	0.494	0.494	0.000	0.000	0.000	0.000
819	B	360	ARG	1	1.000	1.001	32.983	-32.684	-32.684	0.000	0.000	0.000	0.000
820	B	361	GLY	0	-0.043	-0.026	28.925	0.799	0.799	0.000	0.000	0.000	0.000
821	B	362	ILE	0	-0.031	0.006	27.535	2.034	2.034	0.000	0.000	0.000	0.000
822	B	363	TYR	0	-0.042	-0.043	25.431	-0.864	-0.864	0.000	0.000	0.000	0.000
823	B	364	PHE	0	-0.052	-0.033	22.622	-0.155	-0.155	0.000	0.000	0.000	0.000
824	B	365	THR	0	0.023	0.019	28.072	-0.021	-0.021	0.000	0.000	0.000	0.000
825	B	366	GLN	0	-0.055	-0.030	26.335	2.892	2.892	0.000	0.000	0.000	0.000
826	B	367	ASP	-1	-0.855	-0.927	29.749	34.676	34.676	0.000	0.000	0.000	0.000
827	B	368	TRP	0	-0.011	-0.020	25.790	2.159	2.159	0.000	0.000	0.000	0.000
828	B	369	SMC	0	-0.058	-0.026	31.320	0.127	0.127	0.000	0.000	0.000	0.000
829	B	370	SER	0	-0.026	-0.024	33.645	-0.271	-0.271	0.000	0.000	0.000	0.000
830	B	371	MET	0	-0.059	0.003	27.343	-0.099	-0.099	0.000	0.000	0.000	0.000
831	B	372	PRO	0	0.024	0.016	32.789	-0.248	-0.248	0.000	0.000	0.000	0.000
832	B	373	GLY	0	0.056	0.036	32.648	1.117	1.117	0.000	0.000	0.000	0.000
833	B	374	VAL	0	-0.029	-0.025	29.525	-0.470	-0.470	0.000	0.000	0.000	0.000
834	B	375	MET	0	-0.013	-0.006	32.934	-0.337	-0.337	0.000	0.000	0.000	0.000
835	B	376	PRO	0	0.019	0.013	33.092	0.798	0.798	0.000	0.000	0.000	0.000
836	B	377	VAL	0	-0.020	-0.013	33.012	-1.229	-1.229	0.000	0.000	0.000	0.000
837	B	378	ALA	0	0.039	0.030	33.351	0.946	0.946	0.000	0.000	0.000	0.000
838	B	379	SER	0	0.000	-0.025	33.305	-1.256	-1.256	0.000	0.000	0.000	0.000
839	B	380	GLY	0	0.071	0.032	33.660	0.853	0.853	0.000	0.000	0.000	0.000
840	B	381	GLY	0	-0.039	-0.033	34.926	0.011	0.011	0.000	0.000	0.000	0.000
841	B	382	ILE	0	-0.051	-0.009	37.768	-0.478	-0.478	0.000	0.000	0.000	0.000
842	B	383	HIS	0	0.022	-0.017	40.241	-0.592	-0.592	0.000	0.000	0.000	0.000
843	B	384	VAL	0	0.066	0.020	43.957	0.072	0.072	0.000	0.000	0.000	0.000
844	B	385	TRP	0	-0.085	-0.040	46.898	-0.404	-0.404	0.000	0.000	0.000	0.000
845	B	386	HIS	0	0.029	0.016	41.770	-0.122	-0.122	0.000	0.000	0.000	0.000
846	B	387	MET	0	-0.023	0.014	44.019	0.524	0.524	0.000	0.000	0.000	0.000
847	B	388	PRO	0	0.017	0.001	45.504	0.183	0.183	0.000	0.000	0.000	0.000
848	B	389	ALA	0	0.016	0.013	42.848	0.105	0.105	0.000	0.000	0.000	0.000
849	B	390	LEU	0	-0.005	0.002	39.229	0.499	0.499	0.000	0.000	0.000	0.000
850	B	391	VAL	0	0.008	-0.009	41.977	0.375	0.375	0.000	0.000	0.000	0.000
851	B	392	GLU	-1	-0.903	-0.925	43.773	27.993	27.993	0.000	0.000	0.000	0.000
852	B	393	ILE	0	-0.023	0.005	37.810	0.227	0.227	0.000	0.000	0.000	0.000
853	B	394	PHE	0	-0.031	-0.016	35.107	0.498	0.498	0.000	0.000	0.000	0.000
854	B	395	GLY	0	0.028	0.027	40.233	0.159	0.159	0.000	0.000	0.000	0.000
855	B	396	ASP	-1	-0.823	-0.912	42.923	26.103	26.103	0.000	0.000	0.000	0.000
856	B	397	ASP	-1	-0.877	-0.926	39.634	28.916	28.916	0.000	0.000	0.000	0.000
857	B	398	ALA	0	0.048	0.012	38.153	0.993	0.993	0.000	0.000	0.000	0.000
858	B	399	CYS	0	-0.073	-0.011	37.248	-1.003	-1.003	0.000	0.000	0.000	0.000
859	B	400	LEU	0	0.010	0.003	37.779	0.703	0.703	0.000	0.000	0.000	0.000
860	B	401	GLN	0	0.043	0.000	34.375	-0.670	-0.670	0.000	0.000	0.000	0.000
861	B	402	PHE	0	0.016	-0.001	38.721	0.255	0.255	0.000	0.000	0.000	0.000
862	B	403	GLY	0	0.065	0.033	38.703	-0.526	-0.526	0.000	0.000	0.000	0.000
863	B	404	GLY	0	0.026	-0.011	39.320	-0.823	-0.823	0.000	0.000	0.000	0.000
864	B	405	GLY	0	-0.031	-0.014	41.237	-0.683	-0.683	0.000	0.000	0.000	0.000
865	B	406	THR	0	-0.039	-0.031	43.290	-0.821	-0.821	0.000	0.000	0.000	0.000
866	B	407	LEU	0	-0.012	-0.022	41.537	-0.665	-0.665	0.000	0.000	0.000	0.000
867	B	408	GLY	0	0.034	0.019	44.868	-0.230	-0.230	0.000	0.000	0.000	0.000
868	B	409	HIS	0	-0.022	0.003	45.852	-0.334	-0.334	0.000	0.000	0.000	0.000
869	B	410	PRO	0	0.015	-0.001	49.153	-0.092	-0.092	0.000	0.000	0.000	0.000
870	B	411	TRP	0	-0.059	-0.064	52.139	-0.439	-0.439	0.000	0.000	0.000	0.000
871	B	412	GLY	0	0.035	0.035	50.291	-0.275	-0.275	0.000	0.000	0.000	0.000
872	B	413	ASN	0	0.037	0.006	45.685	-0.007	-0.007	0.000	0.000	0.000	0.000
873	B	414	ALA	0	0.047	0.042	48.821	0.166	0.166	0.000	0.000	0.000	0.000
874	B	415	PRO	0	-0.014	-0.024	51.441	-0.025	-0.025	0.000	0.000	0.000	0.000
875	B	416	GLY	0	0.044	0.020	48.737	-0.014	-0.014	0.000	0.000	0.000	0.000
876	B	417	ALA	0	-0.014	0.000	47.602	0.226	0.226	0.000	0.000	0.000	0.000
877	B	418	ALA	0	0.016	0.018	48.589	0.102	0.102	0.000	0.000	0.000	0.000
878	B	419	ALA	0	-0.036	-0.013	50.280	-0.118	-0.118	0.000	0.000	0.000	0.000
879	B	420	ASN	0	0.012	-0.001	45.641	-0.071	-0.071	0.000	0.000	0.000	0.000
880	B	421	ARG	1	0.758	0.872	48.237	-23.794	-23.794	0.000	0.000	0.000	0.000
881	B	422	VAL	0	-0.012	-0.010	49.807	-0.131	-0.131	0.000	0.000	0.000	0.000
882	B	423	ALA	0	-0.024	-0.008	49.074	-0.159	-0.159	0.000	0.000	0.000	0.000
883	B	424	LEU	0	0.038	0.009	45.598	-0.060	-0.060	0.000	0.000	0.000	0.000
884	B	425	GLU	-1	-0.758	-0.883	48.823	22.952	22.952	0.000	0.000	0.000	0.000
885	B	426	ALA	0	0.022	0.015	51.978	-0.264	-0.264	0.000	0.000	0.000	0.000
886	B	427	CYS	0	-0.055	-0.025	49.351	-0.152	-0.152	0.000	0.000	0.000	0.000
887	B	428	THR	0	0.004	-0.001	49.308	0.167	0.167	0.000	0.000	0.000	0.000
888	B	429	GLN	0	-0.014	-0.008	51.056	-0.060	-0.060	0.000	0.000	0.000	0.000
889	B	430	ALA	0	-0.006	-0.005	53.712	-0.217	-0.217	0.000	0.000	0.000	0.000
890	B	431	ARG	1	0.833	0.900	47.228	-25.272	-25.272	0.000	0.000	0.000	0.000
891	B	432	ASN	0	-0.028	-0.023	52.363	0.341	0.341	0.000	0.000	0.000	0.000
892	B	433	GLU	-1	-0.969	-0.988	54.515	20.579	20.579	0.000	0.000	0.000	0.000
893	B	434	GLY	0	-0.018	0.001	55.657	-0.364	-0.364	0.000	0.000	0.000	0.000
894	B	435	ARG	1	0.872	0.952	55.298	-21.429	-21.429	0.000	0.000	0.000	0.000
895	B	436	ASP	-1	-0.786	-0.895	50.752	24.795	24.795	0.000	0.000	0.000	0.000
896	B	437	LEU	0	-0.018	-0.015	48.268	-0.115	-0.115	0.000	0.000	0.000	0.000
897	B	438	ALA	0	0.014	0.010	47.570	0.113	0.113	0.000	0.000	0.000	0.000
898	B	439	ARG	1	0.821	0.902	48.843	-24.079	-24.079	0.000	0.000	0.000	0.000
899	B	440	GLU	-1	-0.839	-0.929	52.270	21.534	21.534	0.000	0.000	0.000	0.000
900	B	441	GLY	0	0.036	0.020	50.449	-0.240	-0.240	0.000	0.000	0.000	0.000
901	B	442	GLY	0	-0.004	-0.016	51.494	-0.099	-0.099	0.000	0.000	0.000	0.000
902	B	443	ASP	-1	-0.863	-0.935	52.935	21.296	21.296	0.000	0.000	0.000	0.000
903	B	444	VAL	0	-0.035	-0.005	53.221	-0.415	-0.415	0.000	0.000	0.000	0.000
904	B	445	ILE	0	0.056	0.024	50.114	-0.279	-0.279	0.000	0.000	0.000	0.000
905	B	446	ARG	1	0.896	0.935	53.732	-22.368	-22.368	0.000	0.000	0.000	0.000
906	B	447	SER	0	-0.054	-0.026	56.774	-0.487	-0.487	0.000	0.000	0.000	0.000
907	B	448	ALA	0	0.027	0.024	55.135	-0.319	-0.319	0.000	0.000	0.000	0.000
908	B	449	CYS	0	-0.101	-0.061	54.908	0.011	0.011	0.000	0.000	0.000	0.000
909	B	450	LYS	1	0.902	0.952	57.325	-20.271	-20.271	0.000	0.000	0.000	0.000
910	B	451	TRP	0	-0.028	0.004	57.749	-0.266	-0.266	0.000	0.000	0.000	0.000
911	B	452	SER	0	0.007	0.018	56.720	-0.055	-0.055	0.000	0.000	0.000	0.000
912	B	453	PRO	0	0.038	0.005	57.852	0.211	0.211	0.000	0.000	0.000	0.000
913	B	454	GLU	-1	-0.829	-0.929	54.195	21.170	21.170	0.000	0.000	0.000	0.000
914	B	455	LEU	0	0.030	0.007	51.644	0.368	0.368	0.000	0.000	0.000	0.000
915	B	456	ALA	0	0.004	-0.003	53.654	0.289	0.289	0.000	0.000	0.000	0.000
916	B	457	ALA	0	-0.036	-0.017	54.711	0.105	0.105	0.000	0.000	0.000	0.000
917	B	458	ALA	0	0.014	0.010	49.652	0.237	0.237	0.000	0.000	0.000	0.000
918	B	459	CYS	0	-0.014	-0.006	50.442	0.377	0.377	0.000	0.000	0.000	0.000
919	B	460	GLU	-1	-0.971	-0.978	51.949	22.342	22.342	0.000	0.000	0.000	0.000
920	B	461	VAL	0	0.019	0.020	48.494	0.134	0.134	0.000	0.000	0.000	0.000
921	B	462	TRP	0	-0.023	-0.029	45.324	0.216	0.216	0.000	0.000	0.000	0.000
922	B	463	LYS	1	0.904	0.969	47.603	-21.894	-21.894	0.000	0.000	0.000	0.000
923	B	464	GLU	-1	-0.933	-0.976	48.743	23.588	23.588	0.000	0.000	0.000	0.000
924	B	465	ILE	0	-0.056	-0.005	42.614	0.418	0.418	0.000	0.000	0.000	0.000
925	B	466	LYS	1	0.956	0.975	42.538	-25.852	-25.852	0.000	0.000	0.000	0.000
926	B	467	PHE	0	0.001	0.002	37.071	0.256	0.256	0.000	0.000	0.000	0.000
927	B	468	GLU	-1	-0.943	-0.974	38.377	28.421	28.421	0.000	0.000	0.000	0.000
928	B	469	PHE	0	0.027	0.003	34.494	-0.154	-0.154	0.000	0.000	0.000	0.000
929	B	470	ASP	-1	-0.835	-0.914	32.521	35.944	35.944	0.000	0.000	0.000	0.000
930	B	471	THR	0	-0.020	-0.003	30.521	0.518	0.518	0.000	0.000	0.000	0.000
931	B	472	ILE	0	-0.025	-0.009	25.407	-0.235	-0.235	0.000	0.000	0.000	0.000
932	B	473	ASP	-1	-0.849	-0.913	25.469	46.453	46.453	0.000	0.000	0.000	0.000
933	B	474	LYS	1	0.801	0.891	27.130	-36.732	-36.732	0.000	0.000	0.000	0.000
934	I	1	MME	1	0.814	0.906	18.596	-49.854	-49.854	0.000	0.000	0.000	0.000
935	I	2	MET	0	0.012	0.030	20.943	-1.831	-1.831	0.000	0.000	0.000	0.000
936	I	3	VAL	0	0.038	0.004	20.668	2.344	2.344	0.000	0.000	0.000	0.000
937	I	4	TRP	0	0.075	0.055	19.483	-1.834	-1.834	0.000	0.000	0.000	0.000
938	I	5	THR	0	0.011	-0.004	21.587	0.066	0.066	0.000	0.000	0.000	0.000
939	I	6	PRO	0	0.022	0.020	23.713	0.717	0.717	0.000	0.000	0.000	0.000
940	I	7	VAL	0	-0.038	-0.019	24.820	-0.871	-0.871	0.000	0.000	0.000	0.000
941	I	8	ASN	0	-0.053	-0.030	28.470	0.093	0.093	0.000	0.000	0.000	0.000
942	I	9	ASN	0	0.018	-0.008	23.404	-1.650	-1.650	0.000	0.000	0.000	0.000
943	I	10	LYS	1	0.905	0.976	24.668	-40.304	-40.304	0.000	0.000	0.000	0.000
944	I	11	MET	0	-0.084	-0.032	21.460	-0.889	-0.889	0.000	0.000	0.000	0.000
945	I	12	PHE	0	-0.025	-0.045	24.380	-1.240	-1.240	0.000	0.000	0.000	0.000
946	I	13	GLU	-1	-0.768	-0.860	20.787	56.578	56.578	0.000	0.000	0.000	0.000
947	I	14	THR	0	-0.022	-0.007	21.609	1.167	1.167	0.000	0.000	0.000	0.000
948	I	15	PHE	0	-0.010	-0.007	21.863	-2.278	-2.278	0.000	0.000	0.000	0.000
949	I	16	SER	0	-0.072	-0.038	22.840	-1.215	-1.215	0.000	0.000	0.000	0.000
950	I	17	TYR	0	0.024	-0.017	18.656	-0.341	-0.341	0.000	0.000	0.000	0.000
951	I	18	LEU	0	-0.028	-0.002	21.177	0.460	0.460	0.000	0.000	0.000	0.000
952	I	19	PRO	0	-0.050	-0.033	23.905	-1.119	-1.119	0.000	0.000	0.000	0.000
953	I	20	PRO	0	-0.036	-0.022	27.474	0.273	0.273	0.000	0.000	0.000	0.000
954	I	21	LEU	0	0.021	0.027	27.443	-0.388	-0.388	0.000	0.000	0.000	0.000
955	I	22	THR	0	0.011	0.008	30.954	-1.041	-1.041	0.000	0.000	0.000	0.000
956	I	23	ASP	-1	-0.863	-0.946	34.198	32.280	32.280	0.000	0.000	0.000	0.000
957	I	24	GLU	-1	-0.997	-0.992	35.329	33.841	33.841	0.000	0.000	0.000	0.000
958	I	25	GLN	0	0.054	0.018	29.143	-0.027	-0.027	0.000	0.000	0.000	0.000
959	I	26	ILE	0	-0.009	-0.006	31.792	0.974	0.974	0.000	0.000	0.000	0.000
960	I	27	ALA	0	-0.011	-0.014	33.493	0.312	0.312	0.000	0.000	0.000	0.000
961	I	28	ALA	0	0.061	0.042	31.840	-0.018	-0.018	0.000	0.000	0.000	0.000
962	I	29	GLN	0	0.035	0.019	27.071	1.502	1.502	0.000	0.000	0.000	0.000
963	I	30	VAL	0	-0.037	-0.025	31.214	0.248	0.248	0.000	0.000	0.000	0.000
964	I	31	ASP	-1	-0.898	-0.951	34.469	34.053	34.053	0.000	0.000	0.000	0.000
965	I	32	TYR	0	-0.010	0.006	24.535	-0.035	-0.035	0.000	0.000	0.000	0.000
966	I	33	ILE	0	-0.013	-0.013	30.904	0.395	0.395	0.000	0.000	0.000	0.000
967	I	34	VAL	0	-0.037	-0.019	31.927	-0.279	-0.279	0.000	0.000	0.000	0.000
968	I	35	ALA	0	-0.054	-0.025	32.043	-0.496	-0.496	0.000	0.000	0.000	0.000
969	I	36	ASN	0	-0.067	-0.039	28.006	0.649	0.649	0.000	0.000	0.000	0.000
970	I	37	GLY	0	-0.041	0.001	30.905	0.180	0.180	0.000	0.000	0.000	0.000
971	I	38	TRP	0	-0.006	0.000	25.594	-0.193	-0.193	0.000	0.000	0.000	0.000
972	I	39	ILE	0	-0.032	-0.025	32.031	-1.307	-1.307	0.000	0.000	0.000	0.000
973	I	40	PRO	0	0.019	0.026	33.481	0.825	0.825	0.000	0.000	0.000	0.000
974	I	41	CYS	0	-0.027	-0.013	34.633	-1.399	-1.399	0.000	0.000	0.000	0.000
975	I	42	LEU	0	0.008	0.022	35.108	0.766	0.766	0.000	0.000	0.000	0.000
976	I	43	GLU	-1	-0.843	-0.910	32.723	37.725	37.725	0.000	0.000	0.000	0.000
977	I	44	PHE	0	-0.016	-0.027	35.806	0.301	0.301	0.000	0.000	0.000	0.000
978	I	45	ALA	0	0.048	0.022	35.252	-0.152	-0.152	0.000	0.000	0.000	0.000
979	I	46	GLU	-1	-0.918	-0.956	37.329	29.876	29.876	0.000	0.000	0.000	0.000
980	I	47	ALA	0	0.023	-0.015	36.300	0.808	0.808	0.000	0.000	0.000	0.000
981	I	48	ASP	-1	-0.915	-0.949	35.476	32.216	32.216	0.000	0.000	0.000	0.000
982	I	49	LYS	1	0.878	0.938	35.522	-31.706	-31.706	0.000	0.000	0.000	0.000
983	I	50	ALA	0	-0.014	0.011	32.492	0.625	0.625	0.000	0.000	0.000	0.000
984	I	51	TYR	0	0.004	-0.008	27.611	1.403	1.403	0.000	0.000	0.000	0.000
985	I	52	VAL	0	0.000	0.013	25.551	-0.971	-0.971	0.000	0.000	0.000	0.000
986	I	53	SER	0	-0.089	-0.091	28.507	0.119	0.119	0.000	0.000	0.000	0.000
987	I	54	ASN	0	0.035	-0.001	27.347	1.267	1.267	0.000	0.000	0.000	0.000
988	I	55	GLU	-1	-0.834	-0.859	30.775	35.117	35.117	0.000	0.000	0.000	0.000
989	I	56	SER	0	-0.031	-0.042	34.004	-1.246	-1.246	0.000	0.000	0.000	0.000
990	I	57	ALA	0	0.004	0.002	31.070	-0.515	-0.515	0.000	0.000	0.000	0.000
991	I	58	ILE	0	-0.049	-0.011	33.093	-0.223	-0.223	0.000	0.000	0.000	0.000
992	I	59	ARG	1	0.888	0.937	36.198	-30.766	-30.766	0.000	0.000	0.000	0.000
993	I	60	PHE	0	-0.057	-0.008	30.674	-0.397	-0.397	0.000	0.000	0.000	0.000
994	I	61	GLY	0	0.045	0.028	33.599	-0.476	-0.476	0.000	0.000	0.000	0.000
995	I	62	SER	0	0.010	-0.005	28.504	0.142	0.142	0.000	0.000	0.000	0.000
996	I	63	VAL	0	-0.031	-0.038	28.030	1.017	1.017	0.000	0.000	0.000	0.000
997	I	64	SER	0	0.046	0.028	26.229	-0.114	-0.114	0.000	0.000	0.000	0.000
998	I	65	CYS	0	-0.036	0.017	21.733	0.347	0.347	0.000	0.000	0.000	0.000
999	I	66	LEU	0	-0.021	-0.004	19.745	-0.678	-0.678	0.000	0.000	0.000	0.000
1000	I	67	TYR	0	-0.105	-0.052	23.614	-0.975	-0.975	0.000	0.000	0.000	0.000
1001	I	68	TYR	0	0.029	-0.009	21.951	1.103	1.103	0.000	0.000	0.000	0.000
1002	I	69	ASP	-1	-0.763	-0.845	28.415	35.944	35.944	0.000	0.000	0.000	0.000
1003	I	70	ASN	0	-0.012	-0.033	30.402	0.265	0.265	0.000	0.000	0.000	0.000
1004	I	71	ARG	1	0.880	0.943	25.425	-44.229	-44.229	0.000	0.000	0.000	0.000
1005	I	72	TYR	0	-0.015	0.000	29.993	0.135	0.135	0.000	0.000	0.000	0.000
1006	I	73	TRP	0	-0.034	-0.011	31.312	-0.446	-0.446	0.000	0.000	0.000	0.000
1007	I	74	THR	0	-0.024	-0.010	35.273	-0.498	-0.498	0.000	0.000	0.000	0.000
1008	I	75	MET	0	0.029	0.026	36.883	0.043	0.043	0.000	0.000	0.000	0.000
1009	I	76	TRP	0	-0.030	-0.028	39.213	-1.175	-1.175	0.000	0.000	0.000	0.000
1010	I	77	LYS	1	0.797	0.901	41.227	-27.274	-27.274	0.000	0.000	0.000	0.000
1011	I	78	LEU	0	0.028	0.003	40.929	0.086	0.086	0.000	0.000	0.000	0.000
1012	I	79	PRO	0	0.031	0.007	36.389	-0.004	-0.004	0.000	0.000	0.000	0.000
1013	I	80	MET	0	-0.035	-0.008	38.133	-0.729	-0.729	0.000	0.000	0.000	0.000
1014	I	81	PHE	0	0.043	0.003	36.540	0.424	0.424	0.000	0.000	0.000	0.000
1015	I	82	GLY	0	-0.017	-0.008	38.936	-0.751	-0.751	0.000	0.000	0.000	0.000
1016	I	83	CYS	0	-0.083	-0.018	38.963	-0.639	-0.639	0.000	0.000	0.000	0.000
1017	I	84	ARG	1	0.997	0.985	38.610	-29.643	-29.643	0.000	0.000	0.000	0.000
1018	I	85	ASP	-1	-0.859	-0.940	40.248	28.472	28.472	0.000	0.000	0.000	0.000
1019	I	86	PRO	0	0.128	0.056	38.630	-0.092	-0.092	0.000	0.000	0.000	0.000
1020	I	87	MET	0	0.009	-0.002	40.064	0.211	0.211	0.000	0.000	0.000	0.000
1021	I	88	GLN	0	-0.068	-0.039	43.022	-0.320	-0.320	0.000	0.000	0.000	0.000
1022	I	89	VAL	0	0.042	0.026	37.004	-0.235	-0.235	0.000	0.000	0.000	0.000
1023	I	90	LEU	0	0.031	0.012	37.833	-0.055	-0.055	0.000	0.000	0.000	0.000
1024	I	91	ARG	1	0.926	0.959	40.881	-27.555	-27.555	0.000	0.000	0.000	0.000
1025	I	92	GLU	-1	-0.797	-0.894	41.592	27.717	27.717	0.000	0.000	0.000	0.000
1026	I	93	ILE	0	0.034	0.029	36.655	-0.060	-0.060	0.000	0.000	0.000	0.000
1027	I	94	VAL	0	-0.025	0.003	40.436	-0.257	-0.257	0.000	0.000	0.000	0.000
1028	I	95	ALA	0	-0.043	-0.025	43.494	-0.449	-0.449	0.000	0.000	0.000	0.000
1029	I	96	CYS	0	-0.030	-0.003	40.699	-0.166	-0.166	0.000	0.000	0.000	0.000
1030	I	97	THR	0	0.018	-0.015	39.468	-0.425	-0.425	0.000	0.000	0.000	0.000
1031	I	98	LYS	1	0.913	0.966	42.178	-25.266	-25.266	0.000	0.000	0.000	0.000
1032	I	99	ALA	0	-0.060	-0.027	45.590	-0.529	-0.529	0.000	0.000	0.000	0.000
1033	I	100	PHE	0	-0.012	-0.008	42.337	-0.402	-0.402	0.000	0.000	0.000	0.000
1034	I	101	PRO	0	0.024	0.020	42.032	0.785	0.785	0.000	0.000	0.000	0.000
1035	I	102	ASP	-1	-0.977	-0.987	41.749	28.215	28.215	0.000	0.000	0.000	0.000
1036	I	103	ALA	0	-0.029	-0.008	39.187	0.422	0.422	0.000	0.000	0.000	0.000
1037	I	104	TYR	0	0.007	-0.003	32.271	-0.101	-0.101	0.000	0.000	0.000	0.000
1038	I	105	VAL	0	0.000	-0.004	35.198	-0.397	-0.397	0.000	0.000	0.000	0.000
1039	I	106	ARG	1	0.859	0.932	29.714	-39.521	-39.521	0.000	0.000	0.000	0.000
1040	I	107	LEU	0	-0.014	0.005	32.159	-1.213	-1.213	0.000	0.000	0.000	0.000
1041	I	108	VAL	0	0.028	0.014	30.181	1.466	1.466	0.000	0.000	0.000	0.000
1042	I	109	ALA	0	0.012	-0.003	29.646	-1.459	-1.459	0.000	0.000	0.000	0.000
1043	I	110	PHE	0	-0.008	-0.006	28.995	1.569	1.569	0.000	0.000	0.000	0.000
1044	I	111	ASP	-1	-0.765	-0.884	26.523	42.658	42.658	0.000	0.000	0.000	0.000
1045	I	112	ASN	0	-0.027	-0.038	28.791	0.887	0.887	0.000	0.000	0.000	0.000
1046	I	113	GLN	0	-0.025	-0.004	28.187	-1.509	-1.509	0.000	0.000	0.000	0.000
1047	I	114	LYS	1	0.901	0.960	20.748	-53.512	-53.512	0.000	0.000	0.000	0.000
1048	I	115	GLN	0	-0.070	-0.029	25.852	-0.343	-0.343	0.000	0.000	0.000	0.000
1049	I	116	VAL	0	0.037	0.024	23.072	0.718	0.718	0.000	0.000	0.000	0.000
1050	I	117	GLN	0	-0.002	0.000	26.347	-0.477	-0.477	0.000	0.000	0.000	0.000
1051	I	118	ILE	0	-0.022	-0.016	23.663	2.159	2.159	0.000	0.000	0.000	0.000
1052	I	119	MET	0	-0.003	-0.008	24.504	1.360	1.360	0.000	0.000	0.000	0.000
1053	I	120	GLY	0	0.048	0.018	26.551	-1.338	-1.338	0.000	0.000	0.000	0.000
1054	I	121	PHE	0	-0.023	-0.003	26.230	1.497	1.497	0.000	0.000	0.000	0.000
1055	I	122	LEU	0	-0.036	-0.013	28.222	-1.549	-1.549	0.000	0.000	0.000	0.000
1056	I	123	VAL	0	-0.013	-0.018	30.552	0.096	0.096	0.000	0.000	0.000	0.000
1057	I	124	GLN	0	-0.049	-0.031	33.788	-1.268	-1.268	0.000	0.000	0.000	0.000
1058	I	125	ARG	1	0.948	0.989	29.075	-37.861	-37.861	0.000	0.000	0.000	0.000
1059	I	126	PRO	0	0.049	0.041	35.397	-0.651	-0.651	0.000	0.000	0.000	0.000
1060	I	127	LYS	1	0.980	0.964	37.629	-27.638	-27.638	0.000	0.000	0.000	0.000
1061	I	128	THR	0	-0.041	-0.018	39.732	0.216	0.216	0.000	0.000	0.000	0.000
1062	I	129	ALA	0	0.016	0.029	34.424	-0.015	-0.015	0.000	0.000	0.000	0.000
1063	I	130	ARG	1	0.921	0.941	35.414	-30.142	-30.142	0.000	0.000	0.000	0.000
1064	I	131	ASP	-1	-0.868	-0.937	31.112	37.471	37.471	0.000	0.000	0.000	0.000
1065	I	132	PHE	0	0.009	0.008	28.838	1.379	1.379	0.000	0.000	0.000	0.000
1066	I	133	GLN	0	0.015	-0.005	27.067	-1.727	-1.727	0.000	0.000	0.000	0.000
1067	I	134	PRO	0	-0.023	0.000	28.383	0.550	0.550	0.000	0.000	0.000	0.000
1068	I	135	ALA	0	0.077	0.024	25.626	0.728	0.728	0.000	0.000	0.000	0.000
1069	I	136	ASN	0	-0.032	-0.019	25.462	1.241	1.241	0.000	0.000	0.000	0.000
1070	I	137	LYS	1	0.922	0.966	27.787	-36.265	-36.265	0.000	0.000	0.000	0.000
1071	I	138	ARG	1	0.850	0.962	22.354	-48.523	-48.523	0.000	0.000	0.000	0.000
1072	I	139	SER	0	-0.021	-0.029	22.165	0.427	0.427	0.000	0.000	0.000	0.000
1073	I	140	VAL	0	-0.048	-0.007	24.179	-1.911	-1.911	0.000	0.000	0.000	0.000
1074	J	1	MME	1	0.830	0.914	55.567	-20.457	-20.457	0.000	0.000	0.000	0.000
1075	J	2	MET	0	0.011	0.028	58.455	-0.318	-0.318	0.000	0.000	0.000	0.000
1076	J	3	VAL	0	0.045	0.014	57.762	0.390	0.390	0.000	0.000	0.000	0.000
1077	J	4	TRP	0	0.080	0.047	55.576	-0.431	-0.431	0.000	0.000	0.000	0.000
1078	J	5	THR	0	0.003	0.002	57.683	0.153	0.153	0.000	0.000	0.000	0.000
1079	J	6	PRO	0	0.030	0.025	57.251	0.137	0.137	0.000	0.000	0.000	0.000
1080	J	7	VAL	0	-0.034	-0.019	58.681	-0.023	-0.023	0.000	0.000	0.000	0.000
1081	J	8	ASN	0	-0.057	-0.031	62.137	0.029	0.029	0.000	0.000	0.000	0.000
1082	J	9	ASN	0	0.014	-0.005	58.562	-0.434	-0.434	0.000	0.000	0.000	0.000
1083	J	10	LYS	1	0.897	0.977	57.921	-20.483	-20.483	0.000	0.000	0.000	0.000
1084	J	11	MET	0	-0.087	-0.033	54.938	-0.359	-0.359	0.000	0.000	0.000	0.000
1085	J	12	PHE	0	-0.024	-0.044	56.306	-0.090	-0.090	0.000	0.000	0.000	0.000
1086	J	13	GLU	-1	-0.773	-0.863	50.091	24.492	24.492	0.000	0.000	0.000	0.000
1087	J	14	THR	0	-0.036	-0.009	51.047	-0.137	-0.137	0.000	0.000	0.000	0.000
1088	J	15	PHE	0	-0.005	-0.006	53.129	-0.373	-0.373	0.000	0.000	0.000	0.000
1089	J	16	SER	0	-0.079	-0.043	55.021	-0.439	-0.439	0.000	0.000	0.000	0.000
1090	J	17	TYR	0	0.015	-0.011	52.995	-0.326	-0.326	0.000	0.000	0.000	0.000
1091	J	18	LEU	0	-0.035	-0.010	55.268	-0.132	-0.132	0.000	0.000	0.000	0.000
1092	J	19	PRO	0	-0.051	-0.040	58.340	-0.230	-0.230	0.000	0.000	0.000	0.000
1093	J	20	PRO	0	-0.047	-0.027	61.616	0.139	0.139	0.000	0.000	0.000	0.000
1094	J	21	LEU	0	0.025	0.027	59.361	-0.139	-0.139	0.000	0.000	0.000	0.000
1095	J	22	THR	0	0.014	0.010	63.443	-0.210	-0.210	0.000	0.000	0.000	0.000
1096	J	23	ASP	-1	-0.867	-0.948	65.664	18.109	18.109	0.000	0.000	0.000	0.000
1097	J	24	GLU	-1	-0.993	-0.992	66.095	18.579	18.579	0.000	0.000	0.000	0.000
1098	J	25	GLN	0	0.059	0.020	61.987	0.090	0.090	0.000	0.000	0.000	0.000
1099	J	26	ILE	0	-0.016	-0.009	61.799	0.398	0.398	0.000	0.000	0.000	0.000
1100	J	27	ALA	0	-0.004	-0.008	62.371	0.250	0.250	0.000	0.000	0.000	0.000
1101	J	28	ALA	0	0.067	0.045	60.801	0.161	0.161	0.000	0.000	0.000	0.000
1102	J	29	GLN	0	0.024	0.013	56.402	0.722	0.722	0.000	0.000	0.000	0.000
1103	J	30	VAL	0	-0.044	-0.029	58.203	0.313	0.313	0.000	0.000	0.000	0.000
1104	J	31	ASP	-1	-0.891	-0.950	59.966	19.942	19.942	0.000	0.000	0.000	0.000
1105	J	32	TYR	0	-0.004	0.010	50.254	0.285	0.285	0.000	0.000	0.000	0.000
1106	J	33	ILE	0	-0.019	-0.013	55.343	0.376	0.376	0.000	0.000	0.000	0.000
1107	J	34	VAL	0	-0.036	-0.019	55.928	0.222	0.222	0.000	0.000	0.000	0.000
1108	J	35	ALA	0	-0.052	-0.024	56.295	0.097	0.097	0.000	0.000	0.000	0.000
1109	J	36	ASN	0	-0.066	-0.039	51.250	0.604	0.604	0.000	0.000	0.000	0.000
1110	J	37	GLY	0	-0.044	0.000	52.486	0.342	0.342	0.000	0.000	0.000	0.000
1111	J	38	TRP	0	-0.011	-0.003	48.876	-0.011	-0.011	0.000	0.000	0.000	0.000
1112	J	39	ILE	0	-0.035	-0.028	53.233	-0.508	-0.508	0.000	0.000	0.000	0.000
1113	J	40	PRO	0	0.023	0.029	55.984	0.171	0.171	0.000	0.000	0.000	0.000
1114	J	41	CYS	0	-0.024	-0.012	57.609	-0.195	-0.195	0.000	0.000	0.000	0.000
1115	J	42	LEU	0	0.002	0.022	59.365	0.059	0.059	0.000	0.000	0.000	0.000
1116	J	43	GLU	-1	-0.838	-0.913	56.261	22.053	22.053	0.000	0.000	0.000	0.000
1117	J	44	PHE	0	-0.016	-0.024	60.824	-0.127	-0.127	0.000	0.000	0.000	0.000
1118	J	45	ALA	0	0.043	0.020	61.306	0.134	0.134	0.000	0.000	0.000	0.000
1119	J	46	GLU	-1	-0.910	-0.954	63.448	18.377	18.377	0.000	0.000	0.000	0.000
1120	J	47	ALA	0	0.017	-0.018	64.205	0.299	0.299	0.000	0.000	0.000	0.000
1121	J	48	ASP	-1	-0.919	-0.954	63.596	18.928	18.928	0.000	0.000	0.000	0.000
1122	J	49	LYS	1	0.888	0.946	61.111	-19.652	-19.652	0.000	0.000	0.000	0.000
1123	J	50	ALA	0	-0.019	0.010	60.000	0.292	0.292	0.000	0.000	0.000	0.000
1124	J	51	TYR	0	-0.012	-0.021	56.945	0.370	0.370	0.000	0.000	0.000	0.000
1125	J	52	VAL	0	-0.005	0.013	51.238	-0.102	-0.102	0.000	0.000	0.000	0.000
1126	J	53	SER	0	-0.082	-0.086	54.593	-0.156	-0.156	0.000	0.000	0.000	0.000
1127	J	54	ASN	0	0.028	-0.006	51.959	0.612	0.612	0.000	0.000	0.000	0.000
1128	J	55	GLU	-1	-0.833	-0.861	54.206	21.407	21.407	0.000	0.000	0.000	0.000
1129	J	56	SER	0	-0.035	-0.052	54.518	-0.231	-0.231	0.000	0.000	0.000	0.000
1130	J	57	ALA	0	-0.006	-0.001	51.412	0.132	0.132	0.000	0.000	0.000	0.000
1131	J	58	ILE	0	-0.048	-0.013	52.927	0.176	0.176	0.000	0.000	0.000	0.000
1132	J	59	ARG	1	0.892	0.939	54.684	-21.655	-21.655	0.000	0.000	0.000	0.000
1133	J	60	PHE	0	-0.062	-0.010	49.200	0.182	0.182	0.000	0.000	0.000	0.000
1134	J	61	GLY	0	0.057	0.034	47.793	-0.187	-0.187	0.000	0.000	0.000	0.000
1135	J	62	SER	0	0.007	-0.006	43.930	-0.331	-0.331	0.000	0.000	0.000	0.000
1136	J	63	VAL	0	-0.037	-0.039	43.314	0.754	0.754	0.000	0.000	0.000	0.000
1137	J	64	SER	0	0.045	0.026	45.090	-0.035	-0.035	0.000	0.000	0.000	0.000
1138	J	65	CYS	0	-0.034	0.020	41.488	-0.171	-0.171	0.000	0.000	0.000	0.000
1139	J	66	LEU	0	-0.020	-0.004	40.550	-0.007	-0.007	0.000	0.000	0.000	0.000
1140	J	67	TYR	0	-0.102	-0.048	44.616	-0.143	-0.143	0.000	0.000	0.000	0.000
1141	J	68	TYR	0	0.037	-0.006	46.052	0.077	0.077	0.000	0.000	0.000	0.000
1142	J	69	ASP	-1	-0.770	-0.844	51.051	22.463	22.463	0.000	0.000	0.000	0.000
1143	J	70	ASN	0	-0.006	-0.028	54.624	-0.019	-0.019	0.000	0.000	0.000	0.000
1144	J	71	ARG	1	0.870	0.941	46.858	-25.231	-25.231	0.000	0.000	0.000	0.000
1145	J	72	TYR	0	-0.007	0.001	50.813	0.002	0.002	0.000	0.000	0.000	0.000
1146	J	73	TRP	0	-0.028	-0.007	55.445	-0.402	-0.402	0.000	0.000	0.000	0.000
1147	J	74	THR	0	-0.019	-0.008	58.689	0.130	0.130	0.000	0.000	0.000	0.000
1148	J	75	MET	0	0.017	0.020	57.554	-0.107	-0.107	0.000	0.000	0.000	0.000
1149	J	76	TRP	0	-0.030	-0.025	61.353	-0.446	-0.446	0.000	0.000	0.000	0.000
1150	J	77	LYS	1	0.807	0.906	63.643	-17.960	-17.960	0.000	0.000	0.000	0.000
1151	J	78	LEU	0	0.031	0.005	60.732	0.183	0.183	0.000	0.000	0.000	0.000
1152	J	79	PRO	0	0.026	0.008	57.122	-0.165	-0.165	0.000	0.000	0.000	0.000
1153	J	80	MET	0	-0.036	-0.007	59.596	-0.178	-0.178	0.000	0.000	0.000	0.000
1154	J	81	PHE	0	0.046	0.004	55.453	0.151	0.151	0.000	0.000	0.000	0.000
1155	J	82	GLY	0	-0.013	-0.006	58.699	-0.323	-0.323	0.000	0.000	0.000	0.000
1156	J	83	CYS	0	-0.078	-0.020	60.445	-0.337	-0.337	0.000	0.000	0.000	0.000
1157	J	84	ARG	1	0.995	0.988	59.333	-20.420	-20.420	0.000	0.000	0.000	0.000
1158	J	85	ASP	-1	-0.866	-0.945	62.231	18.328	18.328	0.000	0.000	0.000	0.000
1159	J	86	PRO	0	0.129	0.053	63.186	-0.038	-0.038	0.000	0.000	0.000	0.000
1160	J	87	MET	0	0.013	-0.001	64.816	-0.066	-0.066	0.000	0.000	0.000	0.000
1161	J	88	GLN	0	-0.068	-0.037	66.472	-0.173	-0.173	0.000	0.000	0.000	0.000
1162	J	89	VAL	0	0.035	0.023	62.112	-0.083	-0.083	0.000	0.000	0.000	0.000
1163	J	90	LEU	0	0.037	0.014	65.190	-0.098	-0.098	0.000	0.000	0.000	0.000
1164	J	91	ARG	1	0.920	0.958	67.581	-17.827	-17.827	0.000	0.000	0.000	0.000
1165	J	92	GLU	-1	-0.801	-0.899	66.222	18.025	18.025	0.000	0.000	0.000	0.000
1166	J	93	ILE	0	0.032	0.028	63.920	-0.031	-0.031	0.000	0.000	0.000	0.000
1167	J	94	VAL	0	-0.014	0.007	67.419	-0.155	-0.155	0.000	0.000	0.000	0.000
1168	J	95	ALA	0	-0.047	-0.024	70.471	-0.207	-0.207	0.000	0.000	0.000	0.000
1169	J	96	CYS	0	-0.036	-0.005	66.675	-0.070	-0.070	0.000	0.000	0.000	0.000
1170	J	97	THR	0	0.020	-0.016	68.090	-0.179	-0.179	0.000	0.000	0.000	0.000
1171	J	98	LYS	1	0.911	0.966	70.288	-16.365	-16.365	0.000	0.000	0.000	0.000
1172	J	99	ALA	0	-0.066	-0.031	71.438	-0.221	-0.221	0.000	0.000	0.000	0.000
1173	J	100	PHE	0	-0.008	-0.007	69.176	-0.090	-0.090	0.000	0.000	0.000	0.000
1174	J	101	PRO	0	0.027	0.021	70.274	0.227	0.227	0.000	0.000	0.000	0.000
1175	J	102	ASP	-1	-0.973	-0.986	71.426	16.978	16.978	0.000	0.000	0.000	0.000
1176	J	103	ALA	0	-0.032	-0.008	66.554	0.150	0.150	0.000	0.000	0.000	0.000
1177	J	104	TYR	0	0.020	-0.001	62.530	-0.095	-0.095	0.000	0.000	0.000	0.000
1178	J	105	VAL	0	0.000	-0.001	63.380	0.053	0.053	0.000	0.000	0.000	0.000
1179	J	106	ARG	1	0.848	0.927	55.409	-21.989	-21.989	0.000	0.000	0.000	0.000
1180	J	107	LEU	0	-0.009	0.008	58.992	-0.155	-0.155	0.000	0.000	0.000	0.000
1181	J	108	VAL	0	0.019	0.010	54.576	0.289	0.289	0.000	0.000	0.000	0.000
1182	J	109	ALA	0	0.026	0.002	53.907	-0.368	-0.368	0.000	0.000	0.000	0.000
1183	J	110	PHE	0	-0.011	-0.006	51.177	0.451	0.451	0.000	0.000	0.000	0.000
1184	J	111	ASP	-1	-0.771	-0.886	47.046	25.736	25.736	0.000	0.000	0.000	0.000
1185	J	112	ASN	0	-0.031	-0.042	48.311	0.285	0.285	0.000	0.000	0.000	0.000
1186	J	113	GLN	0	-0.028	-0.003	45.058	-0.227	-0.227	0.000	0.000	0.000	0.000
1187	J	114	LYS	1	0.900	0.958	42.029	-27.582	-27.582	0.000	0.000	0.000	0.000
1188	J	115	GLN	0	-0.041	-0.012	43.674	0.621	0.621	0.000	0.000	0.000	0.000
1189	J	116	VAL	0	0.030	0.017	44.586	0.318	0.318	0.000	0.000	0.000	0.000
1190	J	117	GLN	0	-0.010	-0.004	46.920	-0.546	-0.546	0.000	0.000	0.000	0.000
1191	J	118	ILE	0	-0.015	-0.014	46.608	0.528	0.528	0.000	0.000	0.000	0.000
1192	J	119	MET	0	-0.003	-0.009	49.314	-0.065	-0.065	0.000	0.000	0.000	0.000
1193	J	120	GLY	0	0.043	0.016	52.255	-0.101	-0.101	0.000	0.000	0.000	0.000
1194	J	121	PHE	0	-0.025	-0.006	54.587	0.123	0.123	0.000	0.000	0.000	0.000
1195	J	122	LEU	0	-0.034	-0.013	57.269	-0.277	-0.277	0.000	0.000	0.000	0.000
1196	J	123	VAL	0	-0.015	-0.019	60.344	-0.079	-0.079	0.000	0.000	0.000	0.000
1197	J	124	GLN	0	-0.035	-0.021	63.733	-0.501	-0.501	0.000	0.000	0.000	0.000
1198	J	125	ARG	1	0.935	0.985	61.746	-19.244	-19.244	0.000	0.000	0.000	0.000
1199	J	126	PRO	0	0.053	0.040	66.125	-0.275	-0.275	0.000	0.000	0.000	0.000
1200	J	127	LYS	1	0.973	0.962	69.319	-16.525	-16.525	0.000	0.000	0.000	0.000
1201	J	128	THR	0	-0.026	-0.012	71.438	-0.015	-0.015	0.000	0.000	0.000	0.000
1202	J	129	ALA	0	0.009	0.031	66.349	0.004	0.004	0.000	0.000	0.000	0.000
1203	J	130	ARG	1	0.931	0.939	67.760	-17.887	-17.887	0.000	0.000	0.000	0.000
1204	J	131	ASP	-1	-0.832	-0.910	62.858	19.452	19.452	0.000	0.000	0.000	0.000
1205	J	132	PHE	0	-0.006	0.005	62.425	0.341	0.341	0.000	0.000	0.000	0.000
1206	J	133	GLN	0	-0.019	-0.031	62.703	-0.612	-0.612	0.000	0.000	0.000	0.000
1207	J	134	PRO	0	-0.018	-0.006	63.442	0.198	0.198	0.000	0.000	0.000	0.000
1208	J	135	ALA	0	0.092	0.029	62.151	0.097	0.097	0.000	0.000	0.000	0.000
1209	J	136	ASN	0	-0.035	-0.023	62.511	0.243	0.243	0.000	0.000	0.000	0.000
1210	J	137	LYS	1	0.915	0.959	64.675	-18.045	-18.045	0.000	0.000	0.000	0.000
1211	J	138	ARG	1	0.892	0.988	58.861	-20.529	-20.529	0.000	0.000	0.000	0.000
1212	J	139	SER	0	-0.021	-0.007	59.260	0.179	0.179	0.000	0.000	0.000	0.000
1213	J	140	VAL	0	-0.035	0.000	61.120	-0.405	-0.405	0.000	0.000	0.000	0.000
1215	B	477	CAP	-4	-3.196	-3.587	28.289	140.925	140.925	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1214(A:476:CAP)