FMO DATABASE

FMODB ID: 9G8Q2

Calculation Name: 5NV3-AEIM-Other434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 5NV3

Chain ID: AEIM

ChEMBL ID:

UniProt ID: P27997

Base Structure: ElectronMicroscopy

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	1196
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-42155363.982814
FMO2-HF: Nuclear repulsion	41676393.09949
FMO2-HF: Total energy	-478970.883324
FMO2-MP2: Total energy	-480343.112945

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.
-611.484	-568.251	85.308	-59.879	-68.666	-0.563

Interactive mode: IFIE and PIEDA for fragment #1195(A:1001:CAP)

Summations of interaction energy for fragment #1195(A:1001: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.
-611.484	-568.251	85.308	-59.879	-68.666	0.563

Interaction energy analysis for fragmet #1195(A:1001:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.528 / q_NPA : -3.838

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].
163	A	175	THR	0	0.074	0.001	2.257	-13.814	-10.808	1.205	-1.737	-2.474	0.003
164	A	176	THR	0	-0.030	-0.021	4.780	0.723	0.829	-0.001	-0.004	-0.101	0.000
165	A	177	LYS	1	0.900	0.985	2.383	-219.324	-213.210	1.797	-3.745	-4.167	0.052
167	A	179	LYS	1	0.773	0.899	4.049	-165.225	-164.876	-0.001	-0.120	-0.229	0.000
191	A	203	KCX	-1	-0.580	-0.857	1.809	181.733	179.881	14.563	-6.334	-6.376	-0.072
194	A	206	GLU	0	0.076	-0.071	4.785	-15.001	-14.804	-0.002	-0.015	-0.180	0.000
284	A	295	HIS	0	0.188	0.138	1.758	-0.590	-5.011	13.857	-4.603	-4.833	0.023
285	A	296	ARG	1	0.829	0.909	2.051	-260.041	-253.717	11.147	-9.299	-8.172	0.134
286	A	297	ALA	0	0.053	0.033	3.954	18.133	18.459	0.012	-0.106	-0.232	0.000
288	A	299	HIS	0	0.030	0.019	2.876	-37.297	-34.720	0.162	-1.428	-1.311	0.016
317	A	328	HIS	1	0.869	0.961	2.537	-200.422	-194.395	2.498	-3.858	-4.668	0.047
318	A	329	CYS	0	-0.026	-0.017	4.874	-4.737	-4.592	-0.001	-0.018	-0.127	0.000
319	A	330	GLY	0	0.049	0.032	4.168	-4.188	-3.919	0.002	-0.088	-0.183	0.000
320	A	331	THR	0	-0.033	-0.023	5.084	-20.773	-20.671	-0.001	-0.006	-0.095	0.000
324	A	335	LYS	1	0.855	0.926	2.617	-244.258	-239.477	1.323	-2.957	-3.146	0.038
325	A	336	LEU	0	-0.037	-0.014	2.565	-20.297	-17.537	2.753	-2.155	-3.359	0.028
368	A	379	ALA	0	-0.020	-0.008	5.458	16.094	16.211	-0.001	-0.004	-0.112	0.000
369	A	380	SER	0	0.012	-0.020	2.243	-23.517	-17.333	2.428	-4.052	-4.560	0.029
370	A	381	GLY	0	0.082	0.051	1.989	7.458	11.047	5.089	-4.446	-4.233	0.027
371	A	382	GLY	0	-0.044	-0.018	2.154	-41.987	-42.297	4.245	-0.736	-3.199	0.042
372	A	383	ILE	0	-0.013	-0.001	3.871	-31.437	-30.708	0.029	-0.329	-0.429	0.003
373	A	384	HIS	0	0.032	0.000	5.417	7.561	7.669	-0.001	-0.004	-0.103	0.000
391	A	402	GLN	0	0.008	-0.006	3.848	-21.237	-21.015	-0.001	-0.030	-0.192	0.000
392	A	403	PHE	0	0.006	-0.010	3.910	17.753	18.307	0.005	-0.127	-0.431	0.000
393	A	404	GLY	0	0.016	0.019	2.233	-31.810	-29.677	4.286	-3.574	-2.846	0.045
394	A	405	GLY	0	0.010	-0.002	2.185	-38.273	-39.595	5.096	-0.807	-2.967	0.037
395	A	406	GLY	0	-0.017	-0.022	3.730	-27.674	-27.112	0.043	-0.285	-0.319	0.004
647	E	62	GLU	-1	-0.876	-0.952	4.962	176.341	176.352	-0.001	-0.044	0.034	0.000
652	E	67	THR	0	-0.032	-0.025	1.785	-12.198	-13.554	9.944	-5.113	-3.476	0.072
653	E	68	TRP	0	-0.012	-0.004	2.453	-52.087	-48.833	3.451	-2.936	-3.769	0.041
710	E	125	ASN	0	0.059	0.013	2.521	10.590	12.271	1.385	-0.880	-2.185	-0.006
711	E	126	VAL	0	0.009	0.001	5.292	3.523	3.605	-0.001	-0.004	-0.078	0.000
713	E	128	SER	0	-0.011	-0.008	4.199	-13.700	-13.515	-0.001	-0.035	-0.148	0.000
1	A	13	ARG	1	0.898	0.950	45.069	-25.968	-25.968	0.000	0.000	0.000	0.000
2	A	14	TYR	0	0.037	-0.002	46.239	0.213	0.213	0.000	0.000	0.000	0.000
3	A	15	LYS	1	0.936	0.976	49.753	-21.621	-21.621	0.000	0.000	0.000	0.000
4	A	16	ALA	0	0.062	0.041	49.429	0.361	0.361	0.000	0.000	0.000	0.000
5	A	17	GLY	0	0.050	0.020	48.130	-0.460	-0.460	0.000	0.000	0.000	0.000
6	A	18	VAL	0	-0.022	-0.001	42.567	0.341	0.341	0.000	0.000	0.000	0.000
7	A	19	LEU	0	-0.033	-0.019	43.881	-0.463	-0.463	0.000	0.000	0.000	0.000
8	A	20	LYS	1	0.970	0.992	40.959	-26.896	-26.896	0.000	0.000	0.000	0.000
9	A	21	TYR	0	0.074	0.033	36.049	-0.496	-0.496	0.000	0.000	0.000	0.000
10	A	22	ALA	0	0.028	0.009	39.012	-0.029	-0.029	0.000	0.000	0.000	0.000
11	A	23	GLN	0	-0.044	-0.025	40.195	-0.320	-0.320	0.000	0.000	0.000	0.000
12	A	24	MET	0	-0.035	-0.006	39.645	-0.847	-0.847	0.000	0.000	0.000	0.000
13	A	25	GLY	0	-0.032	-0.018	41.523	-0.378	-0.378	0.000	0.000	0.000	0.000
14	A	26	TYR	0	-0.013	-0.024	35.813	-0.218	-0.218	0.000	0.000	0.000	0.000
15	A	27	TRP	0	-0.026	-0.010	34.759	1.014	1.014	0.000	0.000	0.000	0.000
16	A	28	ASP	-1	-0.899	-0.965	37.668	27.482	27.482	0.000	0.000	0.000	0.000
17	A	29	GLY	0	-0.002	0.005	38.199	0.643	0.643	0.000	0.000	0.000	0.000
18	A	30	ASP	-1	-0.925	-0.955	39.223	27.333	27.333	0.000	0.000	0.000	0.000
19	A	31	TYR	0	-0.066	-0.025	35.141	-0.425	-0.425	0.000	0.000	0.000	0.000
20	A	32	VAL	0	-0.012	-0.013	37.216	0.678	0.678	0.000	0.000	0.000	0.000
21	A	33	PRO	0	-0.048	-0.016	32.848	-0.343	-0.343	0.000	0.000	0.000	0.000
22	A	34	LYS	1	0.969	0.989	35.188	-30.115	-30.115	0.000	0.000	0.000	0.000
23	A	35	ASP	-1	-0.885	-0.953	33.542	33.926	33.926	0.000	0.000	0.000	0.000
24	A	36	THR	0	-0.120	-0.064	32.277	0.862	0.862	0.000	0.000	0.000	0.000
25	A	37	ASP	-1	-0.778	-0.899	31.666	33.270	33.270	0.000	0.000	0.000	0.000
26	A	38	VAL	0	-0.044	-0.016	25.436	0.964	0.964	0.000	0.000	0.000	0.000
27	A	39	LEU	0	-0.047	-0.004	26.845	-0.798	-0.798	0.000	0.000	0.000	0.000
28	A	40	ALA	0	0.027	0.014	23.743	1.986	1.986	0.000	0.000	0.000	0.000
29	A	41	LEU	0	0.005	0.013	22.735	-1.582	-1.582	0.000	0.000	0.000	0.000
30	A	42	PHE	0	-0.027	-0.020	22.380	2.109	2.109	0.000	0.000	0.000	0.000
31	A	43	ARG	1	0.752	0.856	19.349	-54.416	-54.416	0.000	0.000	0.000	0.000
32	A	44	ILE	0	0.010	-0.016	23.105	1.106	1.106	0.000	0.000	0.000	0.000
33	A	45	THR	0	-0.003	0.002	24.567	-0.666	-0.666	0.000	0.000	0.000	0.000
34	A	46	PRO	0	0.014	-0.002	27.043	0.375	0.375	0.000	0.000	0.000	0.000
35	A	47	GLN	0	-0.016	-0.010	30.378	1.316	1.316	0.000	0.000	0.000	0.000
36	A	48	GLU	-1	-0.930	-0.972	32.472	32.710	32.710	0.000	0.000	0.000	0.000
37	A	49	GLY	0	0.000	0.005	35.496	-0.597	-0.597	0.000	0.000	0.000	0.000
38	A	50	VAL	0	-0.107	-0.043	33.909	-0.707	-0.707	0.000	0.000	0.000	0.000
39	A	51	ASP	-1	-0.844	-0.928	35.331	30.808	30.808	0.000	0.000	0.000	0.000
40	A	52	PRO	0	0.026	0.001	32.965	0.579	0.579	0.000	0.000	0.000	0.000
41	A	53	VAL	0	0.022	0.022	33.305	0.764	0.764	0.000	0.000	0.000	0.000
42	A	54	GLU	-1	-0.862	-0.955	35.589	30.224	30.224	0.000	0.000	0.000	0.000
43	A	55	ALA	0	-0.029	-0.020	30.940	0.360	0.360	0.000	0.000	0.000	0.000
44	A	56	ALA	0	0.031	0.015	30.725	0.961	0.961	0.000	0.000	0.000	0.000
45	A	57	ALA	0	-0.010	-0.006	31.697	0.484	0.484	0.000	0.000	0.000	0.000
46	A	58	ALA	0	-0.009	0.005	32.328	-0.180	-0.180	0.000	0.000	0.000	0.000
47	A	59	VAL	0	-0.008	0.004	26.897	0.377	0.377	0.000	0.000	0.000	0.000
48	A	60	ALA	0	-0.008	0.004	29.665	0.589	0.589	0.000	0.000	0.000	0.000
49	A	61	GLY	0	0.022	0.009	31.651	-0.358	-0.358	0.000	0.000	0.000	0.000
50	A	62	GLU	-1	-0.874	-0.951	30.600	34.248	34.248	0.000	0.000	0.000	0.000
51	A	63	SER	0	-0.028	-0.021	27.935	0.057	0.057	0.000	0.000	0.000	0.000
52	A	64	SER	0	0.035	0.029	29.497	0.023	0.023	0.000	0.000	0.000	0.000
53	A	65	THR	0	-0.033	-0.017	32.431	-0.046	-0.046	0.000	0.000	0.000	0.000
54	A	66	ALA	0	-0.014	-0.002	35.338	-1.002	-1.002	0.000	0.000	0.000	0.000
55	A	67	THR	0	-0.033	-0.026	35.874	0.570	0.570	0.000	0.000	0.000	0.000
56	A	68	TRP	0	-0.012	-0.004	38.116	-0.564	-0.564	0.000	0.000	0.000	0.000
57	A	69	THR	0	0.003	0.003	39.478	-0.686	-0.686	0.000	0.000	0.000	0.000
58	A	70	VAL	0	-0.018	-0.002	42.741	0.365	0.365	0.000	0.000	0.000	0.000
59	A	71	VAL	0	0.032	0.020	43.151	-0.472	-0.472	0.000	0.000	0.000	0.000
60	A	72	TRP	0	0.024	-0.006	45.965	-0.083	-0.083	0.000	0.000	0.000	0.000
61	A	73	THR	0	-0.030	-0.049	44.228	-0.357	-0.357	0.000	0.000	0.000	0.000
62	A	74	ASP	-1	-0.837	-0.938	42.522	27.928	27.928	0.000	0.000	0.000	0.000
63	A	75	ARG	1	0.841	0.921	45.106	-23.062	-23.062	0.000	0.000	0.000	0.000
64	A	76	LEU	0	-0.077	-0.011	46.684	-0.364	-0.364	0.000	0.000	0.000	0.000
65	A	77	THR	0	-0.017	-0.001	41.926	-0.163	-0.163	0.000	0.000	0.000	0.000
66	A	78	ALA	0	0.049	0.027	44.218	-0.218	-0.218	0.000	0.000	0.000	0.000
67	A	79	CYS	0	0.000	-0.021	41.647	0.686	0.686	0.000	0.000	0.000	0.000
68	A	80	ASP	-1	-0.985	-0.986	40.807	27.268	27.268	0.000	0.000	0.000	0.000
69	A	81	SER	0	0.008	0.008	39.144	0.206	0.206	0.000	0.000	0.000	0.000
70	A	82	TYR	0	-0.017	-0.009	37.035	0.735	0.735	0.000	0.000	0.000	0.000
71	A	83	ARG	1	0.892	0.964	35.843	-27.721	-27.721	0.000	0.000	0.000	0.000
72	A	84	ALA	0	0.011	0.024	31.971	-0.072	-0.072	0.000	0.000	0.000	0.000
73	A	85	LYS	1	0.932	0.966	33.852	-30.117	-30.117	0.000	0.000	0.000	0.000
74	A	86	ALA	0	-0.013	-0.002	32.392	0.877	0.877	0.000	0.000	0.000	0.000
75	A	87	TYR	0	0.045	0.009	29.828	-0.683	-0.683	0.000	0.000	0.000	0.000
76	A	88	ARG	1	0.860	0.929	29.609	-37.717	-37.717	0.000	0.000	0.000	0.000
77	A	89	VAL	0	0.004	-0.011	31.145	1.126	1.126	0.000	0.000	0.000	0.000
78	A	90	GLU	-1	-0.862	-0.915	28.925	37.241	37.241	0.000	0.000	0.000	0.000
79	A	91	PRO	0	0.000	-0.017	29.649	1.185	1.185	0.000	0.000	0.000	0.000
80	A	92	VAL	0	-0.010	0.003	24.144	0.018	0.018	0.000	0.000	0.000	0.000
81	A	93	PRO	0	0.007	0.012	26.555	-0.799	-0.799	0.000	0.000	0.000	0.000
82	A	94	GLY	0	0.026	0.012	26.356	1.552	1.552	0.000	0.000	0.000	0.000
83	A	95	THR	0	-0.064	-0.030	24.421	0.117	0.117	0.000	0.000	0.000	0.000
84	A	96	PRO	0	0.008	-0.006	27.583	-0.661	-0.661	0.000	0.000	0.000	0.000
85	A	97	GLY	0	0.011	0.008	29.514	-1.071	-1.071	0.000	0.000	0.000	0.000
86	A	98	GLN	0	-0.024	-0.019	22.501	1.493	1.493	0.000	0.000	0.000	0.000
87	A	99	TYR	0	0.017	0.008	27.399	-0.895	-0.895	0.000	0.000	0.000	0.000
88	A	100	PHE	0	0.031	0.026	22.257	1.405	1.405	0.000	0.000	0.000	0.000
89	A	101	CYS	0	-0.051	-0.014	26.505	-2.132	-2.132	0.000	0.000	0.000	0.000
90	A	102	TYR	0	0.035	0.023	26.890	1.675	1.675	0.000	0.000	0.000	0.000
91	A	103	VAL	0	-0.015	-0.011	27.916	-1.669	-1.669	0.000	0.000	0.000	0.000
92	A	104	ALA	0	-0.004	-0.005	28.651	1.171	1.171	0.000	0.000	0.000	0.000
93	A	105	TYR	0	-0.027	-0.038	26.822	-0.299	-0.299	0.000	0.000	0.000	0.000
94	A	106	ASP	-1	-0.745	-0.876	31.129	32.739	32.739	0.000	0.000	0.000	0.000
95	A	107	LEU	0	-0.039	-0.051	30.626	0.753	0.753	0.000	0.000	0.000	0.000
96	A	108	ILE	0	-0.054	-0.008	32.310	0.297	0.297	0.000	0.000	0.000	0.000
97	A	109	LEU	0	-0.042	-0.029	31.175	-0.415	-0.415	0.000	0.000	0.000	0.000
98	A	110	PHE	0	-0.022	-0.012	26.222	0.826	0.826	0.000	0.000	0.000	0.000
99	A	111	GLU	-1	-0.920	-0.971	27.982	37.951	37.951	0.000	0.000	0.000	0.000
100	A	112	GLU	-1	-0.963	-0.990	27.607	35.813	35.813	0.000	0.000	0.000	0.000
101	A	113	GLY	0	0.020	0.021	25.184	-0.119	-0.119	0.000	0.000	0.000	0.000
102	A	114	SER	0	0.013	-0.007	23.610	1.247	1.247	0.000	0.000	0.000	0.000
103	A	115	ILE	0	0.016	0.014	17.361	-0.023	-0.023	0.000	0.000	0.000	0.000
104	A	116	ALA	0	-0.001	-0.003	20.861	0.337	0.337	0.000	0.000	0.000	0.000
105	A	117	ASN	0	0.028	0.010	21.944	-0.756	-0.756	0.000	0.000	0.000	0.000
106	A	118	LEU	0	-0.007	-0.001	20.568	-0.853	-0.853	0.000	0.000	0.000	0.000
107	A	119	THR	0	-0.036	-0.036	18.327	-0.540	-0.540	0.000	0.000	0.000	0.000
108	A	120	ALA	0	0.026	0.018	21.703	-0.038	-0.038	0.000	0.000	0.000	0.000
109	A	121	SER	0	-0.033	-0.009	24.740	-1.758	-1.758	0.000	0.000	0.000	0.000
110	A	122	ILE	0	-0.031	-0.008	23.199	-0.455	-0.455	0.000	0.000	0.000	0.000
111	A	123	ILE	0	-0.063	-0.035	19.176	-0.252	-0.252	0.000	0.000	0.000	0.000
112	A	124	GLY	0	0.046	0.038	22.569	0.959	0.959	0.000	0.000	0.000	0.000
113	A	125	ASN	0	0.062	0.014	24.901	1.688	1.688	0.000	0.000	0.000	0.000
114	A	126	VAL	0	0.011	0.001	24.394	-0.590	-0.590	0.000	0.000	0.000	0.000
115	A	127	PHE	0	-0.021	-0.007	19.452	-0.558	-0.558	0.000	0.000	0.000	0.000
116	A	128	SER	0	-0.015	-0.010	24.179	0.296	0.296	0.000	0.000	0.000	0.000
117	A	129	PHE	0	0.040	0.019	26.436	-1.624	-1.624	0.000	0.000	0.000	0.000
118	A	130	LYS	1	0.869	0.954	28.932	-32.693	-32.693	0.000	0.000	0.000	0.000
119	A	131	PRO	0	-0.018	0.003	31.586	0.055	0.055	0.000	0.000	0.000	0.000
120	A	132	LEU	0	0.000	-0.005	27.085	-0.254	-0.254	0.000	0.000	0.000	0.000
121	A	133	LYS	1	0.959	1.000	25.891	-41.788	-41.788	0.000	0.000	0.000	0.000
122	A	134	ALA	0	-0.065	-0.054	21.970	1.313	1.313	0.000	0.000	0.000	0.000
123	A	135	ALA	0	0.037	0.033	22.531	-1.222	-1.222	0.000	0.000	0.000	0.000
124	A	136	ARG	1	0.849	0.936	12.909	-66.410	-66.410	0.000	0.000	0.000	0.000
125	A	137	LEU	0	-0.011	0.020	17.935	-1.785	-1.785	0.000	0.000	0.000	0.000
126	A	138	GLU	-1	-0.823	-0.912	17.269	61.852	61.852	0.000	0.000	0.000	0.000
127	A	139	ASP	-1	-0.770	-0.921	17.448	57.742	57.742	0.000	0.000	0.000	0.000
128	A	140	MET	0	0.000	0.008	19.679	-1.886	-1.886	0.000	0.000	0.000	0.000
129	A	141	ARG	1	0.888	0.966	21.585	-37.910	-37.910	0.000	0.000	0.000	0.000
130	A	142	PHE	0	0.000	-0.019	19.694	-0.821	-0.821	0.000	0.000	0.000	0.000
131	A	143	PRO	0	0.023	0.018	25.035	-0.009	-0.009	0.000	0.000	0.000	0.000
132	A	144	VAL	0	0.099	0.026	27.532	0.761	0.761	0.000	0.000	0.000	0.000
133	A	145	ALA	0	-0.025	-0.022	29.353	0.112	0.112	0.000	0.000	0.000	0.000
134	A	146	TYR	0	0.020	0.022	23.541	-0.448	-0.448	0.000	0.000	0.000	0.000
135	A	147	VAL	0	0.038	0.019	23.530	0.836	0.836	0.000	0.000	0.000	0.000
136	A	148	LYS	1	0.941	0.971	25.306	-37.508	-37.508	0.000	0.000	0.000	0.000
137	A	149	THR	0	-0.049	-0.011	27.226	-0.011	-0.011	0.000	0.000	0.000	0.000
138	A	150	TYR	0	-0.023	-0.007	22.264	0.660	0.660	0.000	0.000	0.000	0.000
139	A	151	LYS	1	0.957	0.969	23.311	-43.303	-43.303	0.000	0.000	0.000	0.000
140	A	152	GLY	0	0.031	0.021	20.355	-0.656	-0.656	0.000	0.000	0.000	0.000
141	A	153	PRO	0	-0.041	-0.016	17.036	-0.388	-0.388	0.000	0.000	0.000	0.000
142	A	154	PRO	0	-0.039	-0.008	17.525	-3.409	-3.409	0.000	0.000	0.000	0.000
143	A	155	THR	0	-0.020	-0.027	18.721	-2.108	-2.108	0.000	0.000	0.000	0.000
144	A	156	GLY	0	-0.017	-0.015	18.225	-2.767	-2.767	0.000	0.000	0.000	0.000
145	A	157	ILE	0	-0.029	-0.015	16.042	0.673	0.673	0.000	0.000	0.000	0.000
146	A	158	VAL	0	-0.020	-0.008	18.947	0.553	0.553	0.000	0.000	0.000	0.000
147	A	159	GLY	0	0.053	0.030	22.277	-0.649	-0.649	0.000	0.000	0.000	0.000
148	A	160	GLU	-1	-0.856	-0.917	15.565	72.262	72.262	0.000	0.000	0.000	0.000
149	A	161	ARG	1	0.857	0.907	17.311	-63.065	-63.065	0.000	0.000	0.000	0.000
150	A	162	GLU	-1	-0.843	-0.920	21.485	44.523	44.523	0.000	0.000	0.000	0.000
151	A	163	ARG	1	0.855	0.944	21.368	-51.753	-51.753	0.000	0.000	0.000	0.000
152	A	164	LEU	0	-0.062	-0.038	17.531	-0.332	-0.332	0.000	0.000	0.000	0.000
153	A	165	ASP	-1	-0.898	-0.933	21.838	45.543	45.543	0.000	0.000	0.000	0.000
154	A	166	LYS	1	0.774	0.906	17.998	-62.683	-62.683	0.000	0.000	0.000	0.000
155	A	167	PHE	0	0.026	-0.007	21.530	1.754	1.754	0.000	0.000	0.000	0.000
156	A	168	GLY	0	0.035	0.019	22.414	-0.483	-0.483	0.000	0.000	0.000	0.000
157	A	169	LYS	0	-0.003	0.007	18.129	-0.757	-0.757	0.000	0.000	0.000	0.000
158	A	170	PRO	0	-0.020	-0.003	13.992	0.013	0.013	0.000	0.000	0.000	0.000
159	A	171	LEU	0	0.015	0.026	13.836	-1.091	-1.091	0.000	0.000	0.000	0.000
160	A	172	LEU	0	-0.004	-0.007	10.743	7.314	7.314	0.000	0.000	0.000	0.000
161	A	173	GLY	0	0.048	0.012	8.845	-4.876	-4.876	0.000	0.000	0.000	0.000
162	A	174	ALA	0	-0.019	-0.013	6.106	6.915	6.915	0.000	0.000	0.000	0.000
166	A	178	PRO	0	0.001	-0.002	7.524	-7.888	-7.888	0.000	0.000	0.000	0.000
168	A	180	LEU	0	0.044	0.022	7.920	-5.296	-5.296	0.000	0.000	0.000	0.000
169	A	181	GLY	0	0.027	0.007	11.576	0.299	0.299	0.000	0.000	0.000	0.000
170	A	182	LEU	0	-0.064	-0.022	11.611	-5.573	-5.573	0.000	0.000	0.000	0.000
171	A	183	SER	0	0.082	0.043	15.220	0.141	0.141	0.000	0.000	0.000	0.000
172	A	184	GLY	0	0.086	0.022	17.394	1.710	1.710	0.000	0.000	0.000	0.000
173	A	185	LYS	1	0.948	0.977	18.668	-45.006	-45.006	0.000	0.000	0.000	0.000
174	A	186	ASN	0	-0.066	-0.061	17.501	-1.194	-1.194	0.000	0.000	0.000	0.000
175	A	187	TYR	0	0.045	0.022	9.886	2.181	2.181	0.000	0.000	0.000	0.000
176	A	188	GLY	0	0.075	0.038	14.120	3.048	3.048	0.000	0.000	0.000	0.000
177	A	189	ARG	1	0.912	0.961	16.681	-53.552	-53.552	0.000	0.000	0.000	0.000
178	A	190	VAL	0	0.018	0.006	10.961	-0.988	-0.988	0.000	0.000	0.000	0.000
179	A	191	VAL	0	0.018	0.013	12.048	2.161	2.161	0.000	0.000	0.000	0.000
180	A	192	TYR	0	-0.079	-0.064	13.860	-0.543	-0.543	0.000	0.000	0.000	0.000
181	A	193	GLU	-1	-0.934	-0.978	15.398	56.611	56.611	0.000	0.000	0.000	0.000
182	A	194	GLY	0	-0.003	-0.002	13.029	0.318	0.318	0.000	0.000	0.000	0.000
183	A	195	LEU	0	0.003	-0.013	13.777	-0.798	-0.798	0.000	0.000	0.000	0.000
184	A	196	LYS	1	0.913	0.967	16.013	-51.092	-51.092	0.000	0.000	0.000	0.000
185	A	197	GLY	0	-0.035	-0.015	16.182	-2.216	-2.216	0.000	0.000	0.000	0.000
186	A	198	GLY	0	0.031	0.016	16.187	-1.522	-1.522	0.000	0.000	0.000	0.000
187	A	199	LEU	0	-0.032	0.007	9.803	0.097	0.097	0.000	0.000	0.000	0.000
188	A	200	ASP	-1	-0.815	-0.904	13.612	65.964	65.964	0.000	0.000	0.000	0.000
189	A	201	PHE	0	-0.013	-0.012	11.232	-3.270	-3.270	0.000	0.000	0.000	0.000
190	A	202	MET	0	-0.043	0.007	9.580	5.991	5.991	0.000	0.000	0.000	0.000
192	A	204	ASP	-1	-0.754	-0.882	7.801	84.669	84.669	0.000	0.000	0.000	0.000
193	A	205	ASP	0	0.181	0.047	5.033	6.900	6.900	0.000	0.000	0.000	0.000
196	A	207	ASN	0	0.015	0.018	6.377	-9.626	-9.626	0.000	0.000	0.000	0.000
197	A	208	ILE	0	-0.019	0.007	9.023	-9.468	-9.468	0.000	0.000	0.000	0.000
198	A	209	ASN	0	-0.001	0.003	11.029	0.228	0.228	0.000	0.000	0.000	0.000
199	A	210	SER	0	-0.024	-0.022	13.907	-2.171	-2.171	0.000	0.000	0.000	0.000
200	A	211	GLN	0	0.036	0.038	13.291	-2.675	-2.675	0.000	0.000	0.000	0.000
201	A	212	PRO	0	0.032	0.013	18.007	-1.038	-1.038	0.000	0.000	0.000	0.000
202	A	213	PHE	0	-0.017	0.006	13.864	-1.391	-1.391	0.000	0.000	0.000	0.000
203	A	214	MET	0	-0.068	-0.031	13.774	-1.633	-1.633	0.000	0.000	0.000	0.000
204	A	215	HIS	0	0.072	0.056	18.068	2.036	2.036	0.000	0.000	0.000	0.000
205	A	216	TRP	0	0.048	0.005	17.255	0.730	0.730	0.000	0.000	0.000	0.000
206	A	217	ARG	1	0.940	0.974	18.296	-43.308	-43.308	0.000	0.000	0.000	0.000
207	A	218	ASP	-1	-0.909	-0.951	21.133	46.682	46.682	0.000	0.000	0.000	0.000
208	A	219	ARG	1	0.856	0.929	13.273	-72.191	-72.191	0.000	0.000	0.000	0.000
209	A	220	PHE	0	0.021	-0.011	15.445	0.774	0.774	0.000	0.000	0.000	0.000
210	A	221	LEU	0	-0.015	0.002	18.627	-0.465	-0.465	0.000	0.000	0.000	0.000
211	A	222	TYR	0	-0.018	-0.012	19.482	-1.296	-1.296	0.000	0.000	0.000	0.000
212	A	223	VAL	0	-0.011	-0.001	14.513	0.001	0.001	0.000	0.000	0.000	0.000
213	A	224	MET	0	0.023	0.018	17.599	1.492	1.492	0.000	0.000	0.000	0.000
214	A	225	GLU	-1	-0.971	-0.966	20.299	43.823	43.823	0.000	0.000	0.000	0.000
215	A	226	ALA	0	-0.031	-0.021	17.913	-1.038	-1.038	0.000	0.000	0.000	0.000
216	A	227	VAL	0	0.028	0.011	16.950	0.397	0.397	0.000	0.000	0.000	0.000
217	A	228	ASN	0	0.011	-0.010	19.331	-1.441	-1.441	0.000	0.000	0.000	0.000
218	A	229	LEU	0	-0.033	-0.020	22.629	-1.801	-1.801	0.000	0.000	0.000	0.000
219	A	230	ALA	0	0.025	0.019	19.500	-1.098	-1.098	0.000	0.000	0.000	0.000
220	A	231	SER	0	-0.055	-0.008	21.411	-0.902	-0.902	0.000	0.000	0.000	0.000
221	A	232	ALA	0	0.014	0.002	23.101	-1.199	-1.199	0.000	0.000	0.000	0.000
222	A	233	GLN	0	-0.023	-0.001	24.230	0.219	0.219	0.000	0.000	0.000	0.000
223	A	234	THR	0	0.000	-0.013	20.531	-0.144	-0.144	0.000	0.000	0.000	0.000
224	A	235	GLY	0	0.049	0.030	23.921	-0.792	-0.792	0.000	0.000	0.000	0.000
225	A	236	GLU	-1	-0.826	-0.916	20.350	57.152	57.152	0.000	0.000	0.000	0.000
226	A	237	VAL	0	0.053	0.025	20.670	-0.059	-0.059	0.000	0.000	0.000	0.000
227	A	238	LYS	1	0.836	0.935	17.421	-59.468	-59.468	0.000	0.000	0.000	0.000
228	A	239	GLY	0	0.028	0.006	15.830	-2.663	-2.663	0.000	0.000	0.000	0.000
229	A	240	HIS	0	-0.045	-0.049	10.850	2.489	2.489	0.000	0.000	0.000	0.000
230	A	241	TYR	0	-0.011	0.000	7.551	-2.063	-2.063	0.000	0.000	0.000	0.000
231	A	242	LEU	0	-0.007	-0.009	10.428	2.837	2.837	0.000	0.000	0.000	0.000
232	A	243	ASN	0	-0.008	-0.004	8.648	-5.438	-5.438	0.000	0.000	0.000	0.000
233	A	244	ILE	0	-0.020	-0.016	11.577	-4.178	-4.178	0.000	0.000	0.000	0.000
234	A	245	THR	0	-0.058	-0.022	11.084	-5.429	-5.429	0.000	0.000	0.000	0.000
235	A	246	ALA	0	-0.008	-0.010	14.102	-0.443	-0.443	0.000	0.000	0.000	0.000
236	A	247	GLY	0	0.033	0.021	17.435	1.310	1.310	0.000	0.000	0.000	0.000
237	A	248	THR	0	0.020	0.014	20.019	-0.510	-0.510	0.000	0.000	0.000	0.000
238	A	249	MET	0	0.054	0.001	20.839	2.395	2.395	0.000	0.000	0.000	0.000
239	A	250	GLU	-1	-0.836	-0.899	22.802	42.804	42.804	0.000	0.000	0.000	0.000
240	A	251	GLU	-1	-0.984	-0.999	21.434	48.929	48.929	0.000	0.000	0.000	0.000
241	A	252	MET	0	-0.006	0.005	17.533	1.562	1.562	0.000	0.000	0.000	0.000
242	A	253	TYR	0	-0.007	-0.028	19.926	2.076	2.076	0.000	0.000	0.000	0.000
243	A	254	ARG	1	0.953	0.977	22.629	-44.417	-44.417	0.000	0.000	0.000	0.000
244	A	255	ARG	1	0.846	0.928	16.183	-59.573	-59.573	0.000	0.000	0.000	0.000
245	A	256	ALA	0	0.043	0.031	19.116	1.040	1.040	0.000	0.000	0.000	0.000
246	A	257	GLU	-1	-0.925	-0.973	20.016	42.005	42.005	0.000	0.000	0.000	0.000
247	A	258	PHE	0	-0.075	-0.041	21.185	-1.533	-1.533	0.000	0.000	0.000	0.000
248	A	259	ALA	0	0.056	0.022	18.149	-0.297	-0.297	0.000	0.000	0.000	0.000
249	A	260	LYS	1	0.914	0.978	20.219	-42.309	-42.309	0.000	0.000	0.000	0.000
250	A	261	SER	0	-0.070	-0.028	22.767	-1.420	-1.420	0.000	0.000	0.000	0.000
251	A	262	LEU	0	-0.016	-0.006	20.767	-1.477	-1.477	0.000	0.000	0.000	0.000
252	A	263	GLY	0	-0.017	0.010	23.148	-0.690	-0.690	0.000	0.000	0.000	0.000
253	A	264	SER	0	-0.065	-0.048	17.559	1.334	1.334	0.000	0.000	0.000	0.000
254	A	265	VAL	0	0.025	0.011	17.525	-1.029	-1.029	0.000	0.000	0.000	0.000
255	A	266	ILE	0	-0.018	-0.013	12.709	-0.276	-0.276	0.000	0.000	0.000	0.000
256	A	267	VAL	0	-0.008	0.010	13.479	1.090	1.090	0.000	0.000	0.000	0.000
257	A	268	MET	0	-0.040	-0.015	6.025	1.717	1.717	0.000	0.000	0.000	0.000
258	A	269	VAL	0	0.018	0.001	10.332	-4.679	-4.679	0.000	0.000	0.000	0.000
259	A	270	ASP	-1	-0.796	-0.897	7.908	110.914	110.914	0.000	0.000	0.000	0.000
260	A	271	LEU	0	-0.008	-0.029	7.516	-6.386	-6.386	0.000	0.000	0.000	0.000
261	A	272	ILE	0	-0.051	-0.021	9.677	-6.564	-6.564	0.000	0.000	0.000	0.000
262	A	273	ILE	0	-0.018	-0.007	12.037	-5.208	-5.208	0.000	0.000	0.000	0.000
263	A	274	GLY	0	0.064	0.044	14.082	-4.399	-4.399	0.000	0.000	0.000	0.000
264	A	275	TYR	0	0.016	-0.018	13.559	1.151	1.151	0.000	0.000	0.000	0.000
265	A	276	THR	0	0.030	0.027	16.899	-0.128	-0.128	0.000	0.000	0.000	0.000
266	A	277	ALA	0	0.031	0.017	17.417	-1.689	-1.689	0.000	0.000	0.000	0.000
267	A	278	ILE	0	-0.035	-0.023	12.573	0.027	0.027	0.000	0.000	0.000	0.000
268	A	279	GLN	0	0.033	0.002	16.474	-0.257	-0.257	0.000	0.000	0.000	0.000
269	A	280	SER	0	0.017	0.015	19.508	-2.462	-2.462	0.000	0.000	0.000	0.000
270	A	281	ILE	0	0.015	0.009	15.925	-1.325	-1.325	0.000	0.000	0.000	0.000
271	A	282	SER	0	-0.006	-0.010	17.224	-0.434	-0.434	0.000	0.000	0.000	0.000
272	A	283	GLU	-1	-0.993	-0.983	19.487	41.283	41.283	0.000	0.000	0.000	0.000
273	A	284	TRP	0	0.023	0.002	20.073	-0.994	-0.994	0.000	0.000	0.000	0.000
274	A	285	CYS	0	-0.052	-0.031	18.754	-0.198	-0.198	0.000	0.000	0.000	0.000
275	A	286	ARG	1	0.848	0.946	21.451	-48.112	-48.112	0.000	0.000	0.000	0.000
276	A	287	GLN	0	-0.040	-0.018	23.826	-1.197	-1.197	0.000	0.000	0.000	0.000
277	A	288	ASN	0	-0.028	-0.005	23.898	-2.930	-2.930	0.000	0.000	0.000	0.000
278	A	289	ASP	-1	-0.900	-0.935	23.929	44.723	44.723	0.000	0.000	0.000	0.000
279	A	290	MET	0	-0.074	-0.031	18.171	0.397	0.397	0.000	0.000	0.000	0.000
280	A	291	ILE	0	-0.039	-0.008	15.619	-0.691	-0.691	0.000	0.000	0.000	0.000
281	A	292	LEU	0	0.014	-0.004	13.556	1.553	1.553	0.000	0.000	0.000	0.000
282	A	293	HIS	0	0.034	0.000	6.913	10.531	10.531	0.000	0.000	0.000	0.000
283	A	294	MET	0	0.002	0.021	7.733	-1.677	-1.677	0.000	0.000	0.000	0.000
287	A	298	GLY	0	0.019	0.004	6.404	-10.850	-10.850	0.000	0.000	0.000	0.000
289	A	300	GLY	0	-0.002	0.009	6.835	-8.569	-8.569	0.000	0.000	0.000	0.000
290	A	301	THR	0	-0.024	-0.005	8.012	-5.794	-5.794	0.000	0.000	0.000	0.000
291	A	302	TYR	0	-0.004	-0.018	11.153	-5.424	-5.424	0.000	0.000	0.000	0.000
292	A	303	THR	0	0.011	0.003	8.519	-4.133	-4.133	0.000	0.000	0.000	0.000
293	A	304	ARG	1	0.905	0.970	8.848	-95.521	-95.521	0.000	0.000	0.000	0.000
294	A	305	GLN	0	-0.034	-0.009	10.631	-0.437	-0.437	0.000	0.000	0.000	0.000
295	A	306	LYS	1	0.985	1.004	14.458	-56.580	-56.580	0.000	0.000	0.000	0.000
296	A	307	ASN	0	-0.032	-0.026	16.427	-0.002	-0.002	0.000	0.000	0.000	0.000
297	A	308	HIS	0	-0.042	-0.036	17.736	-3.462	-3.462	0.000	0.000	0.000	0.000
298	A	309	GLY	0	0.023	0.026	15.450	3.225	3.225	0.000	0.000	0.000	0.000
299	A	310	ILE	0	-0.021	-0.029	14.283	-3.948	-3.948	0.000	0.000	0.000	0.000
300	A	311	SER	0	0.039	0.032	12.827	5.634	5.634	0.000	0.000	0.000	0.000
301	A	312	PHE	0	0.081	0.015	6.906	-0.223	-0.223	0.000	0.000	0.000	0.000
302	A	313	ARG	1	0.928	0.982	10.715	-64.053	-64.053	0.000	0.000	0.000	0.000
303	A	314	VAL	0	-0.003	0.004	13.482	-2.591	-2.591	0.000	0.000	0.000	0.000
304	A	315	ILE	0	0.014	0.011	10.423	-1.771	-1.771	0.000	0.000	0.000	0.000
305	A	316	ALA	0	0.006	-0.003	11.092	-0.653	-0.653	0.000	0.000	0.000	0.000
306	A	317	LYS	1	0.836	0.920	12.350	-57.087	-57.087	0.000	0.000	0.000	0.000
307	A	318	TRP	0	0.021	-0.001	15.072	-1.887	-1.887	0.000	0.000	0.000	0.000
308	A	319	LEU	0	0.029	0.006	9.682	-1.910	-1.910	0.000	0.000	0.000	0.000
309	A	320	ARG	1	0.840	0.949	13.927	-58.497	-58.497	0.000	0.000	0.000	0.000
310	A	321	LEU	0	-0.045	-0.021	16.065	-2.334	-2.334	0.000	0.000	0.000	0.000
311	A	322	ALA	0	-0.040	-0.017	15.837	-2.272	-2.272	0.000	0.000	0.000	0.000
312	A	323	GLY	0	0.028	0.021	16.596	-2.232	-2.232	0.000	0.000	0.000	0.000
313	A	324	VAL	0	-0.014	-0.008	11.185	-0.202	-0.202	0.000	0.000	0.000	0.000
314	A	325	ASP	-1	-0.746	-0.870	14.298	61.968	61.968	0.000	0.000	0.000	0.000
315	A	326	HIS	0	-0.021	-0.027	9.754	4.893	4.893	0.000	0.000	0.000	0.000
316	A	327	LEU	0	0.000	-0.007	6.794	0.326	0.326	0.000	0.000	0.000	0.000
321	A	332	ALA	0	0.002	0.008	7.130	0.707	0.707	0.000	0.000	0.000	0.000
322	A	333	VAL	0	-0.007	-0.013	10.552	-2.709	-2.709	0.000	0.000	0.000	0.000
323	A	334	GLY	0	0.014	0.026	7.417	-0.763	-0.763	0.000	0.000	0.000	0.000
326	A	337	GLU	-1	-0.956	-0.991	6.317	89.882	89.882	0.000	0.000	0.000	0.000
327	A	338	GLY	0	0.063	0.027	6.435	11.616	11.616	0.000	0.000	0.000	0.000
328	A	339	ASP	-1	-0.907	-0.945	8.961	66.980	66.980	0.000	0.000	0.000	0.000
329	A	340	PRO	0	0.009	-0.013	12.626	1.306	1.306	0.000	0.000	0.000	0.000
330	A	341	LEU	0	0.015	0.015	14.218	0.590	0.590	0.000	0.000	0.000	0.000
331	A	342	THR	0	0.057	0.020	12.561	-2.905	-2.905	0.000	0.000	0.000	0.000
332	A	343	VAL	0	-0.056	-0.026	8.805	2.169	2.169	0.000	0.000	0.000	0.000
333	A	344	GLN	0	-0.034	-0.033	11.250	-0.039	-0.039	0.000	0.000	0.000	0.000
334	A	345	GLY	0	0.054	0.044	14.292	-2.534	-2.534	0.000	0.000	0.000	0.000
335	A	346	TYR	0	-0.030	-0.025	9.236	-3.484	-3.484	0.000	0.000	0.000	0.000
336	A	347	TYR	0	-0.009	-0.015	7.834	-3.389	-3.389	0.000	0.000	0.000	0.000
337	A	348	ASN	0	-0.010	-0.014	13.107	-4.995	-4.995	0.000	0.000	0.000	0.000
338	A	349	VAL	0	-0.004	0.018	14.664	-3.164	-3.164	0.000	0.000	0.000	0.000
339	A	350	CYS	0	-0.054	-0.018	11.526	-2.758	-2.758	0.000	0.000	0.000	0.000
340	A	351	ARG	1	0.909	0.973	14.764	-71.995	-71.995	0.000	0.000	0.000	0.000
341	A	352	GLU	-1	-0.912	-0.960	17.320	51.170	51.170	0.000	0.000	0.000	0.000
342	A	353	PRO	0	-0.071	-0.037	20.599	0.442	0.442	0.000	0.000	0.000	0.000
343	A	354	PHE	0	0.005	-0.012	23.363	-0.731	-0.731	0.000	0.000	0.000	0.000
344	A	355	ASN	0	-0.002	0.016	20.776	-0.193	-0.193	0.000	0.000	0.000	0.000
345	A	356	THR	0	0.069	0.026	23.491	-0.937	-0.937	0.000	0.000	0.000	0.000
346	A	357	VAL	0	-0.038	-0.016	23.754	1.835	1.835	0.000	0.000	0.000	0.000
347	A	358	ASP	-1	-0.872	-0.947	21.927	48.584	48.584	0.000	0.000	0.000	0.000
348	A	359	LEU	0	0.023	0.003	21.643	2.012	2.012	0.000	0.000	0.000	0.000
349	A	360	PRO	0	-0.028	-0.010	21.477	1.565	1.565	0.000	0.000	0.000	0.000
350	A	361	ARG	1	0.937	0.975	17.843	-54.797	-54.797	0.000	0.000	0.000	0.000
351	A	362	GLY	0	-0.039	-0.013	16.993	3.468	3.468	0.000	0.000	0.000	0.000
352	A	363	ILE	0	-0.045	-0.010	17.445	1.020	1.020	0.000	0.000	0.000	0.000
353	A	364	PHE	0	0.002	-0.012	19.570	-1.840	-1.840	0.000	0.000	0.000	0.000
354	A	365	PHE	0	-0.054	-0.033	22.785	-2.537	-2.537	0.000	0.000	0.000	0.000
355	A	366	GLU	-1	-0.925	-0.956	23.742	40.342	40.342	0.000	0.000	0.000	0.000
356	A	367	GLN	0	-0.056	-0.018	21.332	-0.483	-0.483	0.000	0.000	0.000	0.000
357	A	368	ASP	-1	-0.863	-0.949	24.475	41.000	41.000	0.000	0.000	0.000	0.000
358	A	369	TRP	0	-0.067	-0.039	18.269	0.248	0.248	0.000	0.000	0.000	0.000
359	A	370	ALA	0	-0.013	0.000	24.161	-0.171	-0.171	0.000	0.000	0.000	0.000
360	A	371	ASP	-1	-0.948	-0.973	26.126	39.890	39.890	0.000	0.000	0.000	0.000
361	A	372	LEU	0	0.002	0.017	21.473	0.454	0.454	0.000	0.000	0.000	0.000
362	A	373	ARG	1	0.913	0.946	20.234	-46.458	-46.458	0.000	0.000	0.000	0.000
363	A	374	LYS	1	0.924	0.968	18.507	-49.555	-49.555	0.000	0.000	0.000	0.000
364	A	375	VAL	0	0.021	0.013	12.169	-0.212	-0.212	0.000	0.000	0.000	0.000
365	A	376	MET	0	0.011	0.019	12.944	0.614	0.614	0.000	0.000	0.000	0.000
366	A	377	PRO	0	-0.043	-0.010	9.766	4.864	4.864	0.000	0.000	0.000	0.000
367	A	378	VAL	0	-0.007	-0.012	5.947	-1.964	-1.964	0.000	0.000	0.000	0.000
374	A	385	ALA	0	0.074	0.024	8.215	-3.245	-3.245	0.000	0.000	0.000	0.000
375	A	386	GLY	0	0.000	0.008	11.730	-5.166	-5.166	0.000	0.000	0.000	0.000
376	A	387	GLN	0	-0.028	-0.018	9.754	-6.067	-6.067	0.000	0.000	0.000	0.000
377	A	388	MET	0	-0.008	0.006	11.300	1.748	1.748	0.000	0.000	0.000	0.000
378	A	389	HIS	0	-0.006	-0.010	13.580	-1.514	-1.514	0.000	0.000	0.000	0.000
379	A	390	GLN	0	0.021	0.009	14.518	1.495	1.495	0.000	0.000	0.000	0.000
380	A	391	LEU	0	-0.015	-0.002	9.555	0.693	0.693	0.000	0.000	0.000	0.000
381	A	392	LEU	0	-0.017	-0.005	13.858	-0.365	-0.365	0.000	0.000	0.000	0.000
382	A	393	SER	0	-0.010	-0.005	16.799	-1.324	-1.324	0.000	0.000	0.000	0.000
383	A	394	LEU	0	-0.017	0.008	13.354	-1.877	-1.877	0.000	0.000	0.000	0.000
384	A	395	PHE	0	-0.010	0.001	10.093	-0.576	-0.576	0.000	0.000	0.000	0.000
385	A	396	GLY	0	0.044	0.013	14.876	-3.731	-3.731	0.000	0.000	0.000	0.000
386	A	397	ASP	-1	-0.819	-0.899	16.670	60.906	60.906	0.000	0.000	0.000	0.000
387	A	398	ASP	-1	-0.940	-0.965	16.469	62.896	62.896	0.000	0.000	0.000	0.000
388	A	399	VAL	0	-0.027	-0.031	11.257	2.253	2.253	0.000	0.000	0.000	0.000
389	A	400	VAL	0	0.035	0.021	9.233	-3.382	-3.382	0.000	0.000	0.000	0.000
390	A	401	LEU	0	-0.013	0.002	8.854	10.272	10.272	0.000	0.000	0.000	0.000
396	A	407	THR	0	-0.031	-0.010	6.554	-16.758	-16.758	0.000	0.000	0.000	0.000
397	A	408	ILE	0	0.002	-0.014	6.655	-11.633	-11.633	0.000	0.000	0.000	0.000
398	A	409	GLY	0	-0.010	0.006	7.496	-7.831	-7.831	0.000	0.000	0.000	0.000
399	A	410	HIS	0	-0.005	-0.010	8.871	-4.726	-4.726	0.000	0.000	0.000	0.000
400	A	411	PRO	0	-0.007	-0.012	11.890	-2.224	-2.224	0.000	0.000	0.000	0.000
401	A	412	MET	0	-0.072	-0.025	15.167	-2.786	-2.786	0.000	0.000	0.000	0.000
402	A	413	GLY	0	0.013	0.002	15.045	-3.258	-3.258	0.000	0.000	0.000	0.000
403	A	414	ILE	0	0.011	0.016	11.379	3.749	3.749	0.000	0.000	0.000	0.000
404	A	415	GLN	0	0.068	0.026	13.508	1.416	1.416	0.000	0.000	0.000	0.000
405	A	416	ALA	0	-0.013	0.008	16.351	-0.307	-0.307	0.000	0.000	0.000	0.000
406	A	417	GLY	0	0.038	0.020	12.115	-0.427	-0.427	0.000	0.000	0.000	0.000
407	A	418	ALA	0	-0.002	0.000	11.926	3.591	3.591	0.000	0.000	0.000	0.000
408	A	419	THR	0	-0.007	-0.013	12.984	-1.534	-1.534	0.000	0.000	0.000	0.000
409	A	420	ALA	0	-0.036	-0.018	13.500	-1.706	-1.706	0.000	0.000	0.000	0.000
410	A	421	ASN	0	-0.014	-0.013	8.875	-2.326	-2.326	0.000	0.000	0.000	0.000
411	A	422	ARG	1	0.834	0.926	12.561	-61.559	-61.559	0.000	0.000	0.000	0.000
412	A	423	VAL	0	0.028	0.000	15.369	-2.200	-2.200	0.000	0.000	0.000	0.000
413	A	424	ALA	0	-0.030	-0.012	14.345	-2.140	-2.140	0.000	0.000	0.000	0.000
414	A	425	LEU	0	0.015	-0.001	13.868	-1.316	-1.316	0.000	0.000	0.000	0.000
415	A	426	GLU	-1	-0.762	-0.911	16.235	53.248	53.248	0.000	0.000	0.000	0.000
416	A	427	ALA	0	-0.002	0.004	19.541	-2.639	-2.639	0.000	0.000	0.000	0.000
417	A	428	MET	0	-0.064	-0.021	17.501	-2.402	-2.402	0.000	0.000	0.000	0.000
418	A	429	VAL	0	0.016	0.005	18.989	-1.436	-1.436	0.000	0.000	0.000	0.000
419	A	430	LEU	0	-0.001	0.009	21.573	-1.732	-1.732	0.000	0.000	0.000	0.000
420	A	431	ALA	0	-0.005	-0.002	23.507	-1.827	-1.827	0.000	0.000	0.000	0.000
421	A	432	ARG	1	0.834	0.899	20.294	-57.092	-57.092	0.000	0.000	0.000	0.000
422	A	433	ASN	0	-0.050	-0.031	24.859	-0.325	-0.325	0.000	0.000	0.000	0.000
423	A	434	GLU	-1	-0.925	-0.960	27.402	39.717	39.717	0.000	0.000	0.000	0.000
424	A	435	GLY	0	0.004	0.016	28.696	-1.470	-1.470	0.000	0.000	0.000	0.000
425	A	436	ARG	1	0.835	0.927	27.011	-44.181	-44.181	0.000	0.000	0.000	0.000
426	A	437	ASN	0	0.028	0.005	26.225	2.614	2.614	0.000	0.000	0.000	0.000
427	A	438	ILE	0	0.022	-0.004	19.941	0.050	0.050	0.000	0.000	0.000	0.000
428	A	439	ASP	-1	-0.960	-0.974	21.174	58.743	58.743	0.000	0.000	0.000	0.000
429	A	440	VAL	0	-0.022	-0.007	22.499	0.403	0.403	0.000	0.000	0.000	0.000
430	A	441	GLU	-1	-0.858	-0.942	24.482	42.932	42.932	0.000	0.000	0.000	0.000
431	A	442	GLY	0	0.038	0.018	20.699	0.008	0.008	0.000	0.000	0.000	0.000
432	A	443	PRO	0	-0.011	-0.016	19.849	0.694	0.694	0.000	0.000	0.000	0.000
433	A	444	GLU	-1	-0.975	-0.988	20.874	44.198	44.198	0.000	0.000	0.000	0.000
434	A	445	ILE	0	0.005	0.006	21.868	-1.126	-1.126	0.000	0.000	0.000	0.000
435	A	446	LEU	0	0.021	0.006	16.456	-0.483	-0.483	0.000	0.000	0.000	0.000
436	A	447	ARG	1	0.971	0.987	20.150	-51.227	-51.227	0.000	0.000	0.000	0.000
437	A	448	ALA	0	-0.052	-0.029	22.603	-1.409	-1.409	0.000	0.000	0.000	0.000
438	A	449	ALA	0	0.019	0.012	21.122	-1.462	-1.462	0.000	0.000	0.000	0.000
439	A	450	ALA	0	0.010	0.003	20.842	-0.047	-0.047	0.000	0.000	0.000	0.000
440	A	451	LYS	1	0.910	0.972	22.366	-44.347	-44.347	0.000	0.000	0.000	0.000
441	A	452	TRP	0	0.004	0.000	22.691	-1.234	-1.234	0.000	0.000	0.000	0.000
442	A	453	CYS	0	-0.046	0.007	19.483	0.238	0.238	0.000	0.000	0.000	0.000
443	A	454	LYS	1	1.012	0.987	21.625	-43.023	-43.023	0.000	0.000	0.000	0.000
444	A	455	PRO	0	0.008	-0.007	17.398	0.725	0.725	0.000	0.000	0.000	0.000
445	A	456	LEU	0	0.032	0.011	15.737	3.619	3.619	0.000	0.000	0.000	0.000
446	A	457	GLU	-1	-0.944	-0.969	17.078	49.796	49.796	0.000	0.000	0.000	0.000
447	A	458	ALA	0	0.013	0.016	17.549	0.533	0.533	0.000	0.000	0.000	0.000
448	A	459	ALA	0	-0.024	-0.008	12.821	2.136	2.136	0.000	0.000	0.000	0.000
449	A	460	LEU	0	-0.032	-0.024	13.743	3.945	3.945	0.000	0.000	0.000	0.000
450	A	461	ASP	-1	-0.914	-0.943	16.059	55.104	55.104	0.000	0.000	0.000	0.000
451	A	462	THR	0	-0.120	-0.057	12.491	-0.975	-0.975	0.000	0.000	0.000	0.000
452	A	463	TRP	0	-0.067	-0.044	9.144	3.448	3.448	0.000	0.000	0.000	0.000
453	A	464	GLY	0	0.063	0.046	13.032	1.071	1.071	0.000	0.000	0.000	0.000
454	A	465	ASN	0	-0.019	-0.023	15.970	-0.759	-0.759	0.000	0.000	0.000	0.000
455	A	466	ILE	0	-0.051	-0.018	9.857	-0.310	-0.310	0.000	0.000	0.000	0.000
456	A	467	THR	0	0.010	0.008	11.480	3.786	3.786	0.000	0.000	0.000	0.000
457	A	468	PHE	0	0.010	0.006	6.745	-1.630	-1.630	0.000	0.000	0.000	0.000
458	A	469	ASN	0	0.006	0.005	11.094	4.689	4.689	0.000	0.000	0.000	0.000
459	A	470	TYR	0	0.005	-0.018	12.042	-0.980	-0.980	0.000	0.000	0.000	0.000
460	A	471	THR	0	-0.007	-0.004	14.876	0.987	0.987	0.000	0.000	0.000	0.000
461	A	472	SER	0	0.018	0.014	12.884	3.415	3.415	0.000	0.000	0.000	0.000
462	A	473	THR	0	-0.029	-0.017	12.136	-3.519	-3.519	0.000	0.000	0.000	0.000
463	A	474	ASP	-1	-0.874	-0.938	11.354	71.724	71.724	0.000	0.000	0.000	0.000
464	A	475	THR	0	-0.044	-0.027	13.351	1.576	1.576	0.000	0.000	0.000	0.000
465	A	476	SER	0	0.056	0.031	16.122	-2.067	-2.067	0.000	0.000	0.000	0.000
466	A	477	ASP	-1	-0.818	-0.903	18.827	51.930	51.930	0.000	0.000	0.000	0.000
467	A	478	PHE	0	-0.017	-0.013	22.271	-2.543	-2.543	0.000	0.000	0.000	0.000
468	A	479	VAL	0	-0.002	0.008	20.954	-0.407	-0.407	0.000	0.000	0.000	0.000
469	I	1	MET	0	-0.033	-0.011	28.642	0.329	0.329	0.000	0.000	0.000	0.000
470	I	2	ARG	1	0.943	0.954	26.730	-43.047	-43.047	0.000	0.000	0.000	0.000
471	I	3	ILE	0	0.015	0.023	26.321	1.643	1.643	0.000	0.000	0.000	0.000
472	I	4	THR	0	-0.051	-0.030	21.825	-1.416	-1.416	0.000	0.000	0.000	0.000
473	I	5	GLN	0	0.002	0.000	23.269	1.298	1.298	0.000	0.000	0.000	0.000
474	I	6	GLY	0	0.038	0.026	23.774	-1.822	-1.822	0.000	0.000	0.000	0.000
475	I	7	CYS	0	-0.069	-0.024	21.490	1.755	1.755	0.000	0.000	0.000	0.000
476	I	8	PHE	0	0.004	-0.030	22.661	-1.547	-1.547	0.000	0.000	0.000	0.000
477	I	9	SER	0	-0.018	0.012	22.916	-2.376	-2.376	0.000	0.000	0.000	0.000
478	I	10	PHE	0	-0.051	-0.036	19.471	-0.943	-0.943	0.000	0.000	0.000	0.000
479	I	11	LEU	0	-0.074	-0.023	22.513	-0.619	-0.619	0.000	0.000	0.000	0.000
480	I	12	PRO	0	-0.045	-0.026	24.579	-0.815	-0.815	0.000	0.000	0.000	0.000
481	I	13	ASP	-1	-0.916	-0.956	28.269	38.362	38.362	0.000	0.000	0.000	0.000
482	I	14	LEU	0	-0.011	0.000	27.992	-0.524	-0.524	0.000	0.000	0.000	0.000
483	I	15	THR	0	0.041	0.020	31.701	-0.693	-0.693	0.000	0.000	0.000	0.000
484	I	16	ASP	-1	-0.829	-0.936	34.723	32.208	32.208	0.000	0.000	0.000	0.000
485	I	17	GLU	-1	-0.967	-0.990	36.550	31.511	31.511	0.000	0.000	0.000	0.000
486	I	18	GLN	0	-0.003	-0.007	29.313	-0.164	-0.164	0.000	0.000	0.000	0.000
487	I	19	ILE	0	-0.007	0.000	32.202	1.020	1.020	0.000	0.000	0.000	0.000
488	I	20	SER	0	0.031	0.005	33.792	0.036	0.036	0.000	0.000	0.000	0.000
489	I	21	ALA	0	-0.020	-0.002	32.414	-0.144	-0.144	0.000	0.000	0.000	0.000
490	I	22	GLN	0	0.034	0.014	27.491	1.854	1.854	0.000	0.000	0.000	0.000
491	I	23	VAL	0	0.016	0.002	31.227	0.714	0.714	0.000	0.000	0.000	0.000
492	I	24	ASP	-1	-0.925	-0.963	34.076	34.737	34.737	0.000	0.000	0.000	0.000
493	I	25	TYR	0	0.007	0.017	25.030	0.715	0.715	0.000	0.000	0.000	0.000
494	I	26	CYS	0	-0.076	-0.045	30.736	0.838	0.838	0.000	0.000	0.000	0.000
495	I	27	LEU	0	0.004	0.002	31.710	-0.128	-0.128	0.000	0.000	0.000	0.000
496	I	28	GLY	0	-0.028	0.001	33.514	-0.692	-0.692	0.000	0.000	0.000	0.000
497	I	29	ARG	1	0.852	0.923	23.744	-47.250	-47.250	0.000	0.000	0.000	0.000
498	I	30	GLY	0	-0.032	0.010	31.149	0.059	0.059	0.000	0.000	0.000	0.000
499	I	31	TRP	0	-0.034	-0.026	25.836	1.205	1.205	0.000	0.000	0.000	0.000
500	I	32	ALA	0	0.007	0.012	32.896	-0.820	-0.820	0.000	0.000	0.000	0.000
501	I	33	VAL	0	0.011	0.013	34.332	1.049	1.049	0.000	0.000	0.000	0.000
502	I	34	SER	0	0.026	0.008	35.337	-1.609	-1.609	0.000	0.000	0.000	0.000
503	I	35	LEU	0	0.012	0.020	35.753	1.123	1.123	0.000	0.000	0.000	0.000
504	I	36	GLU	-1	-0.843	-0.919	34.520	36.143	36.143	0.000	0.000	0.000	0.000
505	I	37	HIS	0	0.024	-0.006	36.318	0.350	0.350	0.000	0.000	0.000	0.000
506	I	38	THR	0	0.010	0.003	34.864	-0.825	-0.825	0.000	0.000	0.000	0.000
507	I	39	ASP	-1	-0.944	-0.987	37.439	30.783	30.783	0.000	0.000	0.000	0.000
508	I	40	ASP	-1	-0.887	-0.938	35.761	34.694	34.694	0.000	0.000	0.000	0.000
509	I	41	PRO	0	-0.045	-0.022	31.524	0.543	0.543	0.000	0.000	0.000	0.000
510	I	42	HIS	0	0.011	0.000	30.102	1.205	1.205	0.000	0.000	0.000	0.000
511	I	43	PRO	0	0.021	0.003	25.676	0.418	0.418	0.000	0.000	0.000	0.000
512	I	44	ARG	1	0.944	0.967	25.810	-45.418	-45.418	0.000	0.000	0.000	0.000
513	I	45	ASN	0	-0.051	0.001	27.506	-1.081	-1.081	0.000	0.000	0.000	0.000
514	I	46	THR	0	0.035	0.016	29.616	0.067	0.067	0.000	0.000	0.000	0.000
515	I	47	TYR	0	-0.030	-0.024	31.463	0.194	0.194	0.000	0.000	0.000	0.000
516	I	48	TRP	0	-0.061	-0.017	30.952	-0.649	-0.649	0.000	0.000	0.000	0.000
517	I	49	GLU	-1	-0.942	-0.975	36.476	29.653	29.653	0.000	0.000	0.000	0.000
518	I	50	MET	0	-0.006	-0.004	36.826	0.087	0.087	0.000	0.000	0.000	0.000
519	I	51	TRP	0	-0.050	-0.015	40.439	-0.822	-0.822	0.000	0.000	0.000	0.000
520	I	52	GLY	0	-0.004	0.003	42.586	0.020	0.020	0.000	0.000	0.000	0.000
521	I	53	MET	0	-0.039	-0.035	42.453	0.191	0.191	0.000	0.000	0.000	0.000
522	I	54	PRO	0	0.012	0.005	37.645	-0.065	-0.065	0.000	0.000	0.000	0.000
523	I	55	MET	0	-0.006	0.003	39.402	-0.835	-0.835	0.000	0.000	0.000	0.000
524	I	56	PHE	0	-0.011	-0.016	36.974	0.718	0.718	0.000	0.000	0.000	0.000
525	I	57	ASP	-1	-0.959	-0.975	38.980	29.790	29.790	0.000	0.000	0.000	0.000
526	I	58	LEU	0	0.006	0.003	40.492	-0.901	-0.901	0.000	0.000	0.000	0.000
527	I	59	ARG	1	0.933	0.960	39.141	-30.031	-30.031	0.000	0.000	0.000	0.000
528	I	60	ASP	-1	-0.862	-0.950	41.418	28.591	28.591	0.000	0.000	0.000	0.000
529	I	61	PRO	0	0.038	0.026	38.135	-0.045	-0.045	0.000	0.000	0.000	0.000
530	I	62	LYS	1	0.936	0.957	39.934	-27.933	-27.933	0.000	0.000	0.000	0.000
531	I	63	GLY	0	0.021	0.007	42.810	-0.357	-0.357	0.000	0.000	0.000	0.000
532	I	64	VAL	0	0.014	0.007	37.661	-0.253	-0.253	0.000	0.000	0.000	0.000
533	I	65	MET	0	-0.013	-0.007	37.981	0.311	0.311	0.000	0.000	0.000	0.000
534	I	66	ILE	0	-0.014	0.009	41.346	-0.351	-0.351	0.000	0.000	0.000	0.000
535	I	67	GLU	-1	-0.870	-0.942	42.632	27.410	27.410	0.000	0.000	0.000	0.000
536	I	68	LEU	0	-0.026	-0.008	37.423	0.216	0.216	0.000	0.000	0.000	0.000
537	I	69	ASP	-1	-0.925	-0.974	41.097	29.133	29.133	0.000	0.000	0.000	0.000
538	I	70	GLU	-1	-0.990	-0.997	43.675	25.778	25.778	0.000	0.000	0.000	0.000
539	I	71	CYS	0	-0.038	-0.002	41.495	-0.114	-0.114	0.000	0.000	0.000	0.000
540	I	72	ARG	1	0.932	0.962	36.715	-31.980	-31.980	0.000	0.000	0.000	0.000
541	I	73	LYS	1	0.898	0.953	42.859	-25.972	-25.972	0.000	0.000	0.000	0.000
542	I	74	ALA	0	-0.020	0.009	45.946	-0.481	-0.481	0.000	0.000	0.000	0.000
543	I	75	TRP	0	-0.037	-0.023	42.346	-0.346	-0.346	0.000	0.000	0.000	0.000
544	I	76	PRO	0	0.036	0.023	42.124	0.694	0.694	0.000	0.000	0.000	0.000
545	I	77	GLY	0	-0.019	-0.008	40.673	0.660	0.660	0.000	0.000	0.000	0.000
546	I	78	ARG	1	0.866	0.924	38.715	-30.045	-30.045	0.000	0.000	0.000	0.000
547	I	79	TYR	0	0.023	0.009	31.737	-0.019	-0.019	0.000	0.000	0.000	0.000
548	I	80	ILE	0	0.005	0.008	35.482	-0.070	-0.070	0.000	0.000	0.000	0.000
549	I	81	ARG	1	0.861	0.936	29.655	-38.781	-38.781	0.000	0.000	0.000	0.000
550	I	82	ILE	0	0.034	0.023	32.097	-1.148	-1.148	0.000	0.000	0.000	0.000
551	I	83	ASN	0	-0.015	-0.020	30.131	0.806	0.806	0.000	0.000	0.000	0.000
552	I	84	ALA	0	0.014	0.012	29.619	-1.291	-1.291	0.000	0.000	0.000	0.000
553	I	85	PHE	0	-0.011	-0.008	29.707	1.542	1.542	0.000	0.000	0.000	0.000
554	I	86	ASP	-1	-0.839	-0.935	27.281	41.819	41.819	0.000	0.000	0.000	0.000
555	I	87	SER	0	-0.028	-0.017	30.059	-0.658	-0.658	0.000	0.000	0.000	0.000
556	I	88	THR	0	-0.011	-0.005	28.439	-0.355	-0.355	0.000	0.000	0.000	0.000
557	I	89	ARG	1	0.963	0.971	29.197	-38.339	-38.339	0.000	0.000	0.000	0.000
558	I	90	GLY	0	-0.026	-0.023	26.020	0.059	0.059	0.000	0.000	0.000	0.000
559	I	91	PHE	0	-0.047	-0.020	21.898	1.050	1.050	0.000	0.000	0.000	0.000
560	I	92	GLU	-1	-0.934	-0.960	26.334	38.380	38.380	0.000	0.000	0.000	0.000
561	I	93	THR	0	0.002	0.002	24.908	-0.198	-0.198	0.000	0.000	0.000	0.000
562	I	94	VAL	0	-0.010	0.002	27.622	-0.650	-0.650	0.000	0.000	0.000	0.000
563	I	95	THR	0	-0.007	-0.004	24.839	1.668	1.668	0.000	0.000	0.000	0.000
564	I	96	MET	0	-0.036	-0.024	24.724	2.085	2.085	0.000	0.000	0.000	0.000
565	I	97	SER	0	0.039	0.013	26.333	-2.209	-2.209	0.000	0.000	0.000	0.000
566	I	98	PHE	0	0.012	0.008	26.233	1.926	1.926	0.000	0.000	0.000	0.000
567	I	99	ILE	0	-0.005	0.005	28.256	-1.492	-1.492	0.000	0.000	0.000	0.000
568	I	100	VAL	0	-0.010	-0.002	30.452	0.417	0.417	0.000	0.000	0.000	0.000
569	I	101	ASN	0	-0.046	-0.015	33.182	-0.469	-0.469	0.000	0.000	0.000	0.000
570	I	102	ARG	1	0.930	0.962	27.618	-40.385	-40.385	0.000	0.000	0.000	0.000
571	I	103	PRO	0	-0.024	-0.010	34.732	-0.633	-0.633	0.000	0.000	0.000	0.000
572	I	104	GLU	-1	-0.935	-0.961	36.291	29.066	29.066	0.000	0.000	0.000	0.000
573	I	105	VAL	0	-0.034	-0.015	36.267	0.308	0.308	0.000	0.000	0.000	0.000
574	I	106	GLU	-1	-0.915	-0.953	31.130	36.510	36.510	0.000	0.000	0.000	0.000
575	I	107	PRO	0	-0.036	-0.014	33.921	-0.279	-0.279	0.000	0.000	0.000	0.000
576	I	108	SER	0	-0.006	-0.006	31.919	0.938	0.938	0.000	0.000	0.000	0.000
577	I	109	LEU	0	0.044	0.010	28.767	-0.777	-0.777	0.000	0.000	0.000	0.000
578	I	110	ARG	1	0.899	0.954	31.286	-31.379	-31.379	0.000	0.000	0.000	0.000
579	I	111	MET	0	-0.006	0.007	26.278	0.587	0.587	0.000	0.000	0.000	0.000
580	I	112	GLU	-1	-0.974	-0.979	31.298	32.190	32.190	0.000	0.000	0.000	0.000
581	I	113	ARG	1	0.921	0.951	28.150	-38.682	-38.682	0.000	0.000	0.000	0.000
582	I	114	THR	0	0.031	0.022	32.432	-1.262	-1.262	0.000	0.000	0.000	0.000
583	I	115	GLU	-1	-0.965	-0.986	32.639	35.059	35.059	0.000	0.000	0.000	0.000
584	I	116	VAL	0	-0.021	-0.013	32.100	-0.848	-0.848	0.000	0.000	0.000	0.000
585	I	117	ASP	-1	-0.884	-0.930	32.498	33.392	33.392	0.000	0.000	0.000	0.000
586	I	118	GLY	0	-0.042	-0.024	31.032	1.300	1.300	0.000	0.000	0.000	0.000
587	I	119	ARG	1	0.920	0.934	27.916	-37.954	-37.954	0.000	0.000	0.000	0.000
588	I	120	SER	0	0.009	0.019	27.409	1.436	1.436	0.000	0.000	0.000	0.000
589	I	121	ILE	0	0.011	0.013	27.417	-1.397	-1.397	0.000	0.000	0.000	0.000
590	I	122	ARG	1	0.867	0.935	27.458	-38.677	-38.677	0.000	0.000	0.000	0.000
591	I	123	TYR	0	0.031	-0.007	25.325	-1.033	-1.033	0.000	0.000	0.000	0.000
592	I	124	THR	0	0.027	0.018	29.503	0.141	0.141	0.000	0.000	0.000	0.000
593	I	125	HIS	0	-0.058	-0.020	26.004	-0.993	-0.993	0.000	0.000	0.000	0.000
594	I	126	SER	0	0.051	0.029	31.156	-0.431	-0.431	0.000	0.000	0.000	0.000
595	I	127	ILE	0	0.023	0.008	32.949	0.513	0.513	0.000	0.000	0.000	0.000
596	I	128	VAL	0	-0.078	-0.037	35.523	-0.986	-0.986	0.000	0.000	0.000	0.000
597	I	129	ARG	1	0.968	1.007	37.882	-31.771	-31.771	0.000	0.000	0.000	0.000
598	E	13	ARG	1	0.898	0.950	15.560	-63.540	-63.540	0.000	0.000	0.000	0.000
599	E	14	TYR	0	0.037	-0.003	14.163	0.464	0.464	0.000	0.000	0.000	0.000
600	E	15	LYS	1	0.936	0.976	14.880	-50.099	-50.099	0.000	0.000	0.000	0.000
601	E	16	ALA	0	0.061	0.040	12.527	1.988	1.988	0.000	0.000	0.000	0.000
602	E	17	GLY	0	0.051	0.021	11.649	-4.718	-4.718	0.000	0.000	0.000	0.000
603	E	18	VAL	0	-0.021	0.000	9.296	3.544	3.544	0.000	0.000	0.000	0.000
604	E	19	LEU	0	-0.033	-0.019	11.217	-7.232	-7.232	0.000	0.000	0.000	0.000
605	E	20	LYS	1	0.971	0.992	11.834	-57.194	-57.194	0.000	0.000	0.000	0.000
606	E	21	TYR	0	0.074	0.033	6.966	-2.363	-2.363	0.000	0.000	0.000	0.000
607	E	22	ALA	0	0.029	0.009	13.577	-2.194	-2.194	0.000	0.000	0.000	0.000
608	E	23	GLN	0	-0.045	-0.026	16.643	-0.626	-0.626	0.000	0.000	0.000	0.000
609	E	24	MET	0	-0.035	-0.006	9.184	-4.164	-4.164	0.000	0.000	0.000	0.000
610	E	25	GLY	0	-0.034	-0.019	15.045	-0.990	-0.990	0.000	0.000	0.000	0.000
611	E	26	TYR	0	-0.012	-0.023	11.358	1.472	1.472	0.000	0.000	0.000	0.000
612	E	27	TRP	0	-0.026	-0.009	16.902	0.027	0.027	0.000	0.000	0.000	0.000
613	E	28	ASP	-1	-0.899	-0.966	20.076	46.968	46.968	0.000	0.000	0.000	0.000
614	E	29	GLY	0	-0.001	0.005	23.429	-0.067	-0.067	0.000	0.000	0.000	0.000
615	E	30	ASP	-1	-0.926	-0.956	26.593	39.426	39.426	0.000	0.000	0.000	0.000
616	E	31	TYR	0	-0.065	-0.025	24.201	-0.771	-0.771	0.000	0.000	0.000	0.000
617	E	32	VAL	0	-0.013	-0.013	27.068	-0.147	-0.147	0.000	0.000	0.000	0.000
618	E	33	PRO	0	-0.047	-0.016	25.608	0.375	0.375	0.000	0.000	0.000	0.000
619	E	34	LYS	1	0.969	0.989	26.938	-44.657	-44.657	0.000	0.000	0.000	0.000
620	E	35	ASP	-1	-0.884	-0.952	27.835	38.511	38.511	0.000	0.000	0.000	0.000
621	E	36	THR	0	-0.122	-0.065	26.681	-0.329	-0.329	0.000	0.000	0.000	0.000
622	E	37	ASP	-1	-0.779	-0.900	23.268	51.086	51.086	0.000	0.000	0.000	0.000
623	E	38	VAL	0	-0.044	-0.017	18.985	-1.782	-1.782	0.000	0.000	0.000	0.000
624	E	39	LEU	0	-0.046	-0.005	20.464	2.087	2.087	0.000	0.000	0.000	0.000
625	E	40	ALA	0	0.027	0.013	17.814	-0.361	-0.361	0.000	0.000	0.000	0.000
626	E	41	LEU	0	0.006	0.014	19.759	0.522	0.522	0.000	0.000	0.000	0.000
627	E	42	PHE	0	-0.026	-0.020	14.068	2.252	2.252	0.000	0.000	0.000	0.000
628	E	43	ARG	1	0.749	0.853	18.885	-49.602	-49.602	0.000	0.000	0.000	0.000
629	E	44	ILE	0	0.019	-0.008	16.621	2.263	2.263	0.000	0.000	0.000	0.000
630	E	45	THR	0	-0.003	0.000	18.082	-4.335	-4.335	0.000	0.000	0.000	0.000
631	E	46	PRO	0	0.011	-0.001	17.659	3.877	3.877	0.000	0.000	0.000	0.000
632	E	47	GLN	0	-0.015	-0.009	15.882	-0.599	-0.599	0.000	0.000	0.000	0.000
633	E	48	GLU	-1	-0.932	-0.973	18.883	49.271	49.271	0.000	0.000	0.000	0.000
634	E	49	GLY	0	-0.001	0.004	21.334	0.717	0.717	0.000	0.000	0.000	0.000
635	E	50	VAL	0	-0.105	-0.043	16.365	0.370	0.370	0.000	0.000	0.000	0.000
636	E	51	ASP	-1	-0.843	-0.927	19.126	50.902	50.902	0.000	0.000	0.000	0.000
637	E	52	PRO	0	0.026	0.001	19.278	3.586	3.586	0.000	0.000	0.000	0.000
638	E	53	VAL	0	0.020	0.022	20.292	1.780	1.780	0.000	0.000	0.000	0.000
639	E	54	GLU	-1	-0.862	-0.956	14.299	75.873	75.873	0.000	0.000	0.000	0.000
640	E	55	ALA	0	-0.028	-0.019	15.306	4.846	4.846	0.000	0.000	0.000	0.000
641	E	56	ALA	0	0.032	0.015	15.605	3.597	3.597	0.000	0.000	0.000	0.000
642	E	57	ALA	0	-0.013	-0.007	15.551	2.273	2.273	0.000	0.000	0.000	0.000
643	E	58	ALA	0	-0.008	0.005	11.430	3.818	3.818	0.000	0.000	0.000	0.000
644	E	59	VAL	0	-0.006	0.005	11.149	7.898	7.898	0.000	0.000	0.000	0.000
645	E	60	ALA	0	-0.007	0.006	12.490	2.713	2.713	0.000	0.000	0.000	0.000
646	E	61	GLY	0	0.023	0.009	11.292	-0.414	-0.414	0.000	0.000	0.000	0.000
648	E	63	SER	0	-0.029	-0.020	8.243	3.443	3.443	0.000	0.000	0.000	0.000
649	E	64	SER	0	0.036	0.028	10.256	-5.071	-5.071	0.000	0.000	0.000	0.000
650	E	65	THR	0	-0.030	-0.016	9.684	4.060	4.060	0.000	0.000	0.000	0.000
651	E	66	ALA	0	-0.017	-0.003	8.121	-5.927	-5.927	0.000	0.000	0.000	0.000
654	E	69	THR	0	0.003	0.003	5.316	-21.738	-21.738	0.000	0.000	0.000	0.000
655	E	70	VAL	0	-0.018	-0.002	6.855	5.473	5.473	0.000	0.000	0.000	0.000
656	E	71	VAL	0	0.032	0.020	6.990	-0.805	-0.805	0.000	0.000	0.000	0.000
657	E	72	TRP	0	0.025	-0.006	9.772	-6.431	-6.431	0.000	0.000	0.000	0.000
658	E	73	THR	0	-0.030	-0.048	10.258	-4.664	-4.664	0.000	0.000	0.000	0.000
659	E	74	ASP	-1	-0.836	-0.935	10.681	87.272	87.272	0.000	0.000	0.000	0.000
660	E	75	ARG	1	0.846	0.925	13.246	-57.486	-57.486	0.000	0.000	0.000	0.000
661	E	76	LEU	0	-0.076	-0.011	15.014	-3.323	-3.323	0.000	0.000	0.000	0.000
662	E	77	THR	0	-0.017	-0.001	14.531	-3.134	-3.134	0.000	0.000	0.000	0.000
663	E	78	ALA	0	0.048	0.027	17.428	0.489	0.489	0.000	0.000	0.000	0.000
664	E	79	CYS	0	-0.005	-0.026	14.308	1.763	1.763	0.000	0.000	0.000	0.000
665	E	80	ASP	-1	-0.987	-0.987	16.746	54.036	54.036	0.000	0.000	0.000	0.000
666	E	81	SER	0	0.007	0.007	19.639	-1.607	-1.607	0.000	0.000	0.000	0.000
667	E	82	TYR	0	-0.017	-0.010	15.090	0.139	0.139	0.000	0.000	0.000	0.000
668	E	83	ARG	1	0.894	0.965	13.025	-70.875	-70.875	0.000	0.000	0.000	0.000
669	E	84	ALA	0	0.011	0.024	15.131	-3.943	-3.943	0.000	0.000	0.000	0.000
670	E	85	LYS	1	0.930	0.965	16.753	-52.999	-52.999	0.000	0.000	0.000	0.000
671	E	86	ALA	0	-0.013	-0.001	18.770	-1.329	-1.329	0.000	0.000	0.000	0.000
672	E	87	TYR	0	0.044	0.009	20.540	-1.452	-1.452	0.000	0.000	0.000	0.000
673	E	88	ARG	1	0.861	0.930	24.279	-44.430	-44.430	0.000	0.000	0.000	0.000
674	E	89	VAL	0	0.004	-0.012	22.237	1.626	1.626	0.000	0.000	0.000	0.000
675	E	90	GLU	-1	-0.863	-0.915	24.974	40.343	40.343	0.000	0.000	0.000	0.000
676	E	91	PRO	0	0.000	-0.017	26.540	1.568	1.568	0.000	0.000	0.000	0.000
677	E	92	VAL	0	-0.010	0.004	25.124	-1.086	-1.086	0.000	0.000	0.000	0.000
678	E	93	PRO	0	0.007	0.012	28.359	-0.421	-0.421	0.000	0.000	0.000	0.000
679	E	94	GLY	0	0.025	0.012	31.127	0.152	0.152	0.000	0.000	0.000	0.000
680	E	95	THR	0	-0.064	-0.030	26.437	-0.039	-0.039	0.000	0.000	0.000	0.000
681	E	96	PRO	0	0.006	-0.006	28.342	0.263	0.263	0.000	0.000	0.000	0.000
682	E	97	GLY	0	0.010	0.008	25.448	0.077	0.077	0.000	0.000	0.000	0.000
683	E	98	GLN	0	-0.022	-0.017	21.753	0.785	0.785	0.000	0.000	0.000	0.000
684	E	99	TYR	0	0.018	0.006	22.419	-2.417	-2.417	0.000	0.000	0.000	0.000
685	E	100	PHE	0	0.027	0.026	22.288	2.326	2.326	0.000	0.000	0.000	0.000
686	E	101	CYS	0	-0.050	-0.017	19.468	-0.245	-0.245	0.000	0.000	0.000	0.000
687	E	102	TYR	0	0.032	0.021	20.466	1.237	1.237	0.000	0.000	0.000	0.000
688	E	103	VAL	0	-0.015	-0.011	16.121	-0.073	-0.073	0.000	0.000	0.000	0.000
689	E	104	ALA	0	-0.004	-0.005	19.476	-1.352	-1.352	0.000	0.000	0.000	0.000
690	E	105	TYR	0	-0.026	-0.039	13.674	1.523	1.523	0.000	0.000	0.000	0.000
691	E	106	ASP	-1	-0.745	-0.875	18.758	49.815	49.815	0.000	0.000	0.000	0.000
692	E	107	LEU	0	-0.038	-0.050	19.093	2.288	2.288	0.000	0.000	0.000	0.000
693	E	108	ILE	0	-0.053	-0.008	18.112	0.545	0.545	0.000	0.000	0.000	0.000
694	E	109	LEU	0	-0.045	-0.030	14.081	2.135	2.135	0.000	0.000	0.000	0.000
695	E	110	PHE	0	-0.022	-0.012	15.127	3.460	3.460	0.000	0.000	0.000	0.000
696	E	111	GLU	-1	-0.915	-0.969	17.089	57.344	57.344	0.000	0.000	0.000	0.000
697	E	112	GLU	-1	-0.967	-0.991	18.799	45.666	45.666	0.000	0.000	0.000	0.000
698	E	113	GLY	0	0.020	0.022	22.459	-0.494	-0.494	0.000	0.000	0.000	0.000
699	E	114	SER	0	0.012	-0.008	17.585	0.512	0.512	0.000	0.000	0.000	0.000
700	E	115	ILE	0	0.016	0.013	17.647	1.414	1.414	0.000	0.000	0.000	0.000
701	E	116	ALA	0	0.001	-0.002	14.623	2.755	2.755	0.000	0.000	0.000	0.000
702	E	117	ASN	0	0.031	0.012	13.154	1.939	1.939	0.000	0.000	0.000	0.000
703	E	118	LEU	0	-0.008	-0.001	13.294	3.478	3.478	0.000	0.000	0.000	0.000
704	E	119	THR	0	-0.037	-0.036	12.651	3.109	3.109	0.000	0.000	0.000	0.000
705	E	120	ALA	0	0.025	0.017	9.197	4.625	4.625	0.000	0.000	0.000	0.000
706	E	121	SER	0	-0.031	-0.009	8.381	9.432	9.432	0.000	0.000	0.000	0.000
707	E	122	ILE	0	-0.032	-0.007	9.947	5.002	5.002	0.000	0.000	0.000	0.000
708	E	123	ILE	0	-0.061	-0.035	10.690	1.657	1.657	0.000	0.000	0.000	0.000
709	E	124	GLY	0	0.047	0.039	6.898	2.811	2.811	0.000	0.000	0.000	0.000
712	E	127	PHE	0	-0.021	-0.008	8.837	-3.774	-3.774	0.000	0.000	0.000	0.000
714	E	129	PHE	0	0.036	0.017	6.757	6.725	6.725	0.000	0.000	0.000	0.000
715	E	130	LYS	1	0.870	0.955	8.964	-114.752	-114.752	0.000	0.000	0.000	0.000
716	E	131	PRO	0	-0.021	0.001	10.942	-6.889	-6.889	0.000	0.000	0.000	0.000
717	E	132	LEU	0	-0.008	-0.008	12.231	-7.295	-7.295	0.000	0.000	0.000	0.000
718	E	133	LYS	1	0.950	0.992	13.267	-59.960	-59.960	0.000	0.000	0.000	0.000
719	E	134	ALA	0	-0.035	-0.033	14.679	1.389	1.389	0.000	0.000	0.000	0.000
720	E	135	ALA	0	0.027	0.026	13.628	-2.243	-2.243	0.000	0.000	0.000	0.000
721	E	136	ARG	1	0.846	0.935	15.253	-50.398	-50.398	0.000	0.000	0.000	0.000
722	E	137	LEU	0	-0.012	0.020	15.758	-1.194	-1.194	0.000	0.000	0.000	0.000
723	E	138	GLU	-1	-0.822	-0.912	18.122	47.670	47.670	0.000	0.000	0.000	0.000
724	E	139	ASP	-1	-0.768	-0.918	21.759	43.875	43.875	0.000	0.000	0.000	0.000
725	E	140	MET	0	0.000	0.007	16.675	2.139	2.139	0.000	0.000	0.000	0.000
726	E	141	ARG	1	0.890	0.970	22.038	-46.150	-46.150	0.000	0.000	0.000	0.000
727	E	142	PHE	0	0.000	-0.018	20.237	1.955	1.955	0.000	0.000	0.000	0.000
728	E	143	PRO	0	0.022	0.017	23.934	-1.781	-1.781	0.000	0.000	0.000	0.000
729	E	144	VAL	0	0.099	0.026	27.164	0.494	0.494	0.000	0.000	0.000	0.000
730	E	145	ALA	0	-0.027	-0.022	27.543	-0.319	-0.319	0.000	0.000	0.000	0.000
731	E	146	TYR	0	0.023	0.023	19.469	0.387	0.387	0.000	0.000	0.000	0.000
732	E	147	VAL	0	0.039	0.021	25.489	0.666	0.666	0.000	0.000	0.000	0.000
733	E	148	LYS	1	0.942	0.971	27.412	-35.510	-35.510	0.000	0.000	0.000	0.000
734	E	149	THR	0	-0.053	-0.015	25.250	-0.386	-0.386	0.000	0.000	0.000	0.000
735	E	150	TYR	0	-0.021	-0.006	20.780	0.599	0.599	0.000	0.000	0.000	0.000
736	E	151	LYS	1	0.957	0.968	27.233	-39.593	-39.593	0.000	0.000	0.000	0.000
737	E	152	GLY	0	0.029	0.020	28.885	-1.300	-1.300	0.000	0.000	0.000	0.000
738	E	153	PRO	0	-0.041	-0.016	30.252	0.057	0.057	0.000	0.000	0.000	0.000
739	E	154	PRO	0	-0.037	-0.007	31.478	-0.843	-0.843	0.000	0.000	0.000	0.000
740	E	155	THR	0	-0.020	-0.027	34.500	-1.028	-1.028	0.000	0.000	0.000	0.000
741	E	156	GLY	0	-0.017	-0.015	35.965	-0.451	-0.451	0.000	0.000	0.000	0.000
742	E	157	ILE	0	-0.030	-0.016	36.931	-0.395	-0.395	0.000	0.000	0.000	0.000
743	E	158	VAL	0	-0.018	-0.008	39.472	-0.390	-0.390	0.000	0.000	0.000	0.000
744	E	159	GLY	0	0.053	0.029	40.743	-0.479	-0.479	0.000	0.000	0.000	0.000
745	E	160	GLU	-1	-0.856	-0.917	38.943	30.410	30.410	0.000	0.000	0.000	0.000
746	E	161	ARG	1	0.856	0.906	41.648	-27.861	-27.861	0.000	0.000	0.000	0.000
747	E	162	GLU	-1	-0.843	-0.920	44.727	26.085	26.085	0.000	0.000	0.000	0.000
748	E	163	ARG	1	0.857	0.946	39.910	-29.533	-29.533	0.000	0.000	0.000	0.000
749	E	164	LEU	0	-0.062	-0.037	42.436	-0.355	-0.355	0.000	0.000	0.000	0.000
750	E	165	ASP	-1	-0.898	-0.934	46.865	23.655	23.655	0.000	0.000	0.000	0.000
751	E	166	LYS	1	0.777	0.907	46.748	-25.907	-25.907	0.000	0.000	0.000	0.000
752	E	167	PHE	0	0.025	-0.008	47.412	0.561	0.561	0.000	0.000	0.000	0.000
753	E	168	GLY	0	0.036	0.019	48.514	-0.424	-0.424	0.000	0.000	0.000	0.000
754	E	169	LYS	0	-0.004	0.007	47.973	-0.346	-0.346	0.000	0.000	0.000	0.000
755	E	170	PRO	0	-0.020	-0.003	43.071	0.286	0.286	0.000	0.000	0.000	0.000
756	E	171	LEU	0	0.016	0.026	41.503	-0.508	-0.508	0.000	0.000	0.000	0.000
757	E	172	LEU	0	-0.005	-0.007	42.369	0.582	0.582	0.000	0.000	0.000	0.000
758	E	173	GLY	0	0.048	0.012	40.606	-0.025	-0.025	0.000	0.000	0.000	0.000
759	E	174	ALA	0	-0.019	-0.013	40.973	-0.238	-0.238	0.000	0.000	0.000	0.000
760	E	175	THR	0	0.078	0.003	35.654	-0.223	-0.223	0.000	0.000	0.000	0.000
761	E	176	THR	0	-0.037	-0.023	38.758	-0.934	-0.934	0.000	0.000	0.000	0.000
762	E	177	LYS	1	0.902	0.986	36.153	-31.145	-31.145	0.000	0.000	0.000	0.000
763	E	178	PRO	0	0.002	-0.001	39.403	-0.788	-0.788	0.000	0.000	0.000	0.000
764	E	179	LYS	1	0.769	0.894	32.004	-35.543	-35.543	0.000	0.000	0.000	0.000
765	E	180	LEU	0	0.043	0.023	32.073	-0.114	-0.114	0.000	0.000	0.000	0.000
766	E	181	GLY	0	0.028	0.007	36.525	-0.498	-0.498	0.000	0.000	0.000	0.000
767	E	182	LEU	0	-0.065	-0.022	39.709	-0.747	-0.747	0.000	0.000	0.000	0.000
768	E	183	SER	0	0.085	0.044	40.973	0.354	0.354	0.000	0.000	0.000	0.000
769	E	184	GLY	0	0.085	0.022	42.946	-0.141	-0.141	0.000	0.000	0.000	0.000
770	E	185	LYS	1	0.949	0.977	43.773	-23.229	-23.229	0.000	0.000	0.000	0.000
771	E	186	ASN	0	-0.067	-0.061	45.999	-0.798	-0.798	0.000	0.000	0.000	0.000
772	E	187	TYR	0	0.046	0.023	37.949	-0.294	-0.294	0.000	0.000	0.000	0.000
773	E	188	GLY	0	0.075	0.038	43.928	0.117	0.117	0.000	0.000	0.000	0.000
774	E	189	ARG	1	0.913	0.961	45.945	-23.695	-23.695	0.000	0.000	0.000	0.000
775	E	190	VAL	0	0.017	0.006	44.370	-0.410	-0.410	0.000	0.000	0.000	0.000
776	E	191	VAL	0	0.019	0.014	42.872	-0.109	-0.109	0.000	0.000	0.000	0.000
777	E	192	TYR	0	-0.080	-0.062	45.624	-0.253	-0.253	0.000	0.000	0.000	0.000
778	E	193	GLU	-1	-0.933	-0.977	49.301	22.240	22.240	0.000	0.000	0.000	0.000
779	E	194	GLY	0	-0.003	-0.003	46.908	-0.229	-0.229	0.000	0.000	0.000	0.000
780	E	195	LEU	0	0.003	-0.013	44.850	-0.206	-0.206	0.000	0.000	0.000	0.000
781	E	196	LYS	1	0.914	0.968	48.560	-21.584	-21.584	0.000	0.000	0.000	0.000
782	E	197	GLY	0	-0.035	-0.015	51.372	-0.398	-0.398	0.000	0.000	0.000	0.000
783	E	198	GLY	0	0.032	0.016	50.737	-0.321	-0.321	0.000	0.000	0.000	0.000
784	E	199	LEU	0	-0.032	0.006	44.475	0.116	0.116	0.000	0.000	0.000	0.000
785	E	200	ASP	-1	-0.818	-0.906	44.661	25.380	25.380	0.000	0.000	0.000	0.000
786	E	201	PHE	0	-0.012	-0.011	40.620	0.117	0.117	0.000	0.000	0.000	0.000
787	E	202	MET	0	-0.042	0.007	41.559	-0.298	-0.298	0.000	0.000	0.000	0.000
788	E	203	KCX	-1	-0.577	-0.845	33.368	35.328	35.328	0.000	0.000	0.000	0.000
789	E	204	ASP	-1	-0.753	-0.880	34.618	31.030	31.030	0.000	0.000	0.000	0.000
790	E	205	ASP	0	0.179	0.053	33.637	0.382	0.382	0.000	0.000	0.000	0.000
791	E	206	GLU	0	0.070	-0.068	27.952	-0.058	-0.058	0.000	0.000	0.000	0.000
792	E	1002	merge:E:AS	-1	-1.411	-0.989	28.081	36.044	36.044	0.000	0.000	0.000	0.000
793	E	207	ASN	0	0.019	0.017	28.510	-0.018	-0.018	0.000	0.000	0.000	0.000
794	E	208	ILE	0	-0.014	0.010	29.537	-0.119	-0.119	0.000	0.000	0.000	0.000
795	E	209	ASN	0	0.000	0.006	28.181	1.411	1.411	0.000	0.000	0.000	0.000
796	E	210	SER	0	-0.023	-0.022	31.422	-1.554	-1.554	0.000	0.000	0.000	0.000
797	E	211	GLN	0	0.036	0.037	30.754	-0.499	-0.499	0.000	0.000	0.000	0.000
798	E	212	PRO	0	0.034	0.013	33.428	-0.862	-0.862	0.000	0.000	0.000	0.000
799	E	213	PHE	0	-0.019	0.005	35.349	-0.841	-0.841	0.000	0.000	0.000	0.000
800	E	214	MET	0	-0.072	-0.034	37.629	-1.298	-1.298	0.000	0.000	0.000	0.000
801	E	215	HIS	0	0.073	0.058	36.048	0.259	0.259	0.000	0.000	0.000	0.000
802	E	216	TRP	0	0.046	0.005	34.442	-0.779	-0.779	0.000	0.000	0.000	0.000
803	E	217	ARG	1	0.938	0.973	36.838	-29.408	-29.408	0.000	0.000	0.000	0.000
804	E	218	ASP	-1	-0.909	-0.950	39.515	26.775	26.775	0.000	0.000	0.000	0.000
805	E	219	ARG	1	0.854	0.927	34.416	-32.919	-32.919	0.000	0.000	0.000	0.000
806	E	220	PHE	0	0.023	-0.011	35.022	-0.521	-0.521	0.000	0.000	0.000	0.000
807	E	221	LEU	0	-0.015	0.002	40.821	-0.387	-0.387	0.000	0.000	0.000	0.000
808	E	222	TYR	0	-0.017	-0.012	44.375	-0.801	-0.801	0.000	0.000	0.000	0.000
809	E	223	VAL	0	-0.012	-0.001	41.037	-0.516	-0.516	0.000	0.000	0.000	0.000
810	E	224	MET	0	0.024	0.017	43.109	-0.138	-0.138	0.000	0.000	0.000	0.000
811	E	225	GLU	-1	-0.971	-0.966	45.655	22.897	22.897	0.000	0.000	0.000	0.000
812	E	226	ALA	0	-0.032	-0.021	46.890	-0.510	-0.510	0.000	0.000	0.000	0.000
813	E	227	VAL	0	0.027	0.010	44.352	-0.299	-0.299	0.000	0.000	0.000	0.000
814	E	228	ASN	0	0.012	-0.010	47.743	-0.535	-0.535	0.000	0.000	0.000	0.000
815	E	229	LEU	0	-0.034	-0.020	50.725	-0.537	-0.537	0.000	0.000	0.000	0.000
816	E	230	ALA	0	0.024	0.018	50.020	-0.424	-0.424	0.000	0.000	0.000	0.000
817	E	231	SER	0	-0.054	-0.007	50.451	-0.269	-0.269	0.000	0.000	0.000	0.000
818	E	232	ALA	0	0.014	0.002	52.330	-0.270	-0.270	0.000	0.000	0.000	0.000
819	E	233	GLN	0	-0.023	-0.003	55.426	-0.121	-0.121	0.000	0.000	0.000	0.000
820	E	234	THR	0	0.000	-0.013	53.238	-0.139	-0.139	0.000	0.000	0.000	0.000
821	E	235	GLY	0	0.048	0.029	55.331	-0.227	-0.227	0.000	0.000	0.000	0.000
822	E	236	GLU	-1	-0.823	-0.914	50.752	23.737	23.737	0.000	0.000	0.000	0.000
823	E	237	VAL	0	0.052	0.022	46.708	-0.013	-0.013	0.000	0.000	0.000	0.000
824	E	238	LYS	1	0.836	0.937	46.657	-23.963	-23.963	0.000	0.000	0.000	0.000
825	E	239	GLY	0	0.028	0.006	42.750	0.074	0.074	0.000	0.000	0.000	0.000
826	E	240	HIS	0	-0.047	-0.050	38.627	-0.672	-0.672	0.000	0.000	0.000	0.000
827	E	241	TYR	0	-0.011	-0.001	35.153	0.316	0.316	0.000	0.000	0.000	0.000
828	E	242	LEU	0	-0.003	-0.007	36.053	0.162	0.162	0.000	0.000	0.000	0.000
829	E	243	ASN	0	-0.007	-0.004	29.863	1.336	1.336	0.000	0.000	0.000	0.000
830	E	244	ILE	0	-0.022	-0.016	29.374	-0.645	-0.645	0.000	0.000	0.000	0.000
831	E	245	THR	0	-0.057	-0.023	24.942	0.622	0.622	0.000	0.000	0.000	0.000
832	E	246	ALA	0	-0.010	-0.011	26.136	-1.167	-1.167	0.000	0.000	0.000	0.000
833	E	247	GLY	0	0.034	0.022	23.545	1.584	1.584	0.000	0.000	0.000	0.000
834	E	248	THR	0	0.019	0.013	22.521	1.664	1.664	0.000	0.000	0.000	0.000
835	E	249	MET	0	0.054	0.001	22.915	-0.898	-0.898	0.000	0.000	0.000	0.000
836	E	250	GLU	-1	-0.835	-0.898	25.555	42.091	42.091	0.000	0.000	0.000	0.000
837	E	251	GLU	-1	-0.984	-0.999	27.848	37.556	37.556	0.000	0.000	0.000	0.000
838	E	252	MET	0	-0.006	0.005	26.665	-0.825	-0.825	0.000	0.000	0.000	0.000
839	E	253	TYR	0	-0.006	-0.027	27.298	-1.099	-1.099	0.000	0.000	0.000	0.000
840	E	254	ARG	1	0.954	0.977	31.184	-36.553	-36.553	0.000	0.000	0.000	0.000
841	E	255	ARG	1	0.846	0.929	30.056	-38.267	-38.267	0.000	0.000	0.000	0.000
842	E	256	ALA	0	0.044	0.031	32.321	-0.879	-0.879	0.000	0.000	0.000	0.000
843	E	257	GLU	-1	-0.925	-0.973	34.316	31.858	31.858	0.000	0.000	0.000	0.000
844	E	258	PHE	0	-0.075	-0.040	37.007	-1.100	-1.100	0.000	0.000	0.000	0.000
845	E	259	ALA	0	0.055	0.021	36.766	-0.832	-0.832	0.000	0.000	0.000	0.000
846	E	260	LYS	1	0.915	0.978	38.500	-30.208	-30.208	0.000	0.000	0.000	0.000
847	E	261	SER	0	-0.070	-0.028	40.184	-0.997	-0.997	0.000	0.000	0.000	0.000
848	E	262	LEU	0	-0.017	-0.007	41.297	-0.802	-0.802	0.000	0.000	0.000	0.000
849	E	263	GLY	0	-0.017	0.011	43.113	-0.634	-0.634	0.000	0.000	0.000	0.000
850	E	264	SER	0	-0.065	-0.048	39.699	-0.110	-0.110	0.000	0.000	0.000	0.000
851	E	265	VAL	0	0.024	0.010	41.294	0.184	0.184	0.000	0.000	0.000	0.000
852	E	266	ILE	0	-0.018	-0.013	35.702	0.330	0.330	0.000	0.000	0.000	0.000
853	E	267	VAL	0	-0.009	0.010	33.238	-0.360	-0.360	0.000	0.000	0.000	0.000
854	E	268	MET	0	-0.042	-0.016	30.406	0.162	0.162	0.000	0.000	0.000	0.000
855	E	269	VAL	0	0.018	0.001	25.753	0.090	0.090	0.000	0.000	0.000	0.000
856	E	270	ASP	-1	-0.798	-0.898	24.555	41.495	41.495	0.000	0.000	0.000	0.000
857	E	271	LEU	0	-0.008	-0.029	19.847	0.756	0.756	0.000	0.000	0.000	0.000
858	E	272	ILE	0	-0.050	-0.020	18.817	2.356	2.356	0.000	0.000	0.000	0.000
859	E	273	ILE	0	-0.019	-0.007	18.491	2.673	2.673	0.000	0.000	0.000	0.000
860	E	274	GLY	0	0.065	0.044	17.729	1.536	1.536	0.000	0.000	0.000	0.000
861	E	275	TYR	0	0.017	-0.018	16.023	-3.587	-3.587	0.000	0.000	0.000	0.000
862	E	276	THR	0	0.030	0.028	17.380	-0.789	-0.789	0.000	0.000	0.000	0.000
863	E	277	ALA	0	0.032	0.017	19.530	-2.230	-2.230	0.000	0.000	0.000	0.000
864	E	278	ILE	0	-0.037	-0.024	21.091	-2.301	-2.301	0.000	0.000	0.000	0.000
865	E	279	GLN	0	0.034	0.002	20.887	-0.022	-0.022	0.000	0.000	0.000	0.000
866	E	280	SER	0	0.014	0.014	23.625	-1.207	-1.207	0.000	0.000	0.000	0.000
867	E	281	ILE	0	0.014	0.009	25.764	-1.783	-1.783	0.000	0.000	0.000	0.000
868	E	282	SER	0	-0.005	-0.010	27.680	-1.204	-1.204	0.000	0.000	0.000	0.000
869	E	283	GLU	-1	-0.991	-0.982	28.578	39.148	39.148	0.000	0.000	0.000	0.000
870	E	284	TRP	0	0.022	0.001	30.397	-1.460	-1.460	0.000	0.000	0.000	0.000
871	E	285	CYS	0	-0.052	-0.032	31.885	-1.239	-1.239	0.000	0.000	0.000	0.000
872	E	286	ARG	1	0.847	0.945	33.637	-35.340	-35.340	0.000	0.000	0.000	0.000
873	E	287	GLN	0	-0.040	-0.018	34.627	-0.681	-0.681	0.000	0.000	0.000	0.000
874	E	288	ASN	0	-0.029	-0.006	35.658	-1.589	-1.589	0.000	0.000	0.000	0.000
875	E	289	ASP	-1	-0.904	-0.936	38.544	28.661	28.661	0.000	0.000	0.000	0.000
876	E	290	MET	0	-0.070	-0.030	35.840	-0.657	-0.657	0.000	0.000	0.000	0.000
877	E	291	ILE	0	-0.039	-0.008	36.129	0.550	0.550	0.000	0.000	0.000	0.000
878	E	292	LEU	0	0.015	-0.003	28.367	-0.012	-0.012	0.000	0.000	0.000	0.000
879	E	293	HIS	0	0.034	-0.001	31.509	0.491	0.491	0.000	0.000	0.000	0.000
880	E	294	MET	0	0.003	0.020	25.263	0.966	0.966	0.000	0.000	0.000	0.000
881	E	295	HIS	0	0.200	0.148	27.770	0.105	0.105	0.000	0.000	0.000	0.000
882	E	296	ARG	1	0.830	0.912	24.566	-39.893	-39.893	0.000	0.000	0.000	0.000
883	E	297	ALA	0	0.053	0.033	23.975	-0.370	-0.370	0.000	0.000	0.000	0.000
884	E	298	GLY	0	0.018	0.003	20.717	1.795	1.795	0.000	0.000	0.000	0.000
885	E	299	HIS	0	0.028	0.017	19.579	4.189	4.189	0.000	0.000	0.000	0.000
886	E	300	GLY	0	-0.003	0.011	20.250	1.642	1.642	0.000	0.000	0.000	0.000
887	E	301	THR	0	-0.023	-0.004	16.384	-0.876	-0.876	0.000	0.000	0.000	0.000
888	E	302	TYR	0	0.000	-0.016	15.176	2.556	2.556	0.000	0.000	0.000	0.000
889	E	303	THR	0	0.014	0.004	17.145	0.982	0.982	0.000	0.000	0.000	0.000
890	E	304	ARG	1	0.897	0.965	20.560	-43.171	-43.171	0.000	0.000	0.000	0.000
891	E	305	GLN	0	-0.043	-0.015	19.197	-1.674	-1.674	0.000	0.000	0.000	0.000
892	E	306	LYS	1	0.989	1.007	20.820	-41.214	-41.214	0.000	0.000	0.000	0.000
893	E	307	ASN	0	-0.032	-0.025	19.013	-0.902	-0.902	0.000	0.000	0.000	0.000
894	E	308	HIS	0	-0.034	-0.030	11.842	-0.695	-0.695	0.000	0.000	0.000	0.000
895	E	309	GLY	0	0.020	0.023	15.079	-2.016	-2.016	0.000	0.000	0.000	0.000
896	E	310	ILE	0	-0.022	-0.031	14.196	1.803	1.803	0.000	0.000	0.000	0.000
897	E	311	SER	0	0.040	0.032	18.002	-2.183	-2.183	0.000	0.000	0.000	0.000
898	E	312	PHE	0	0.081	0.014	21.678	0.986	0.986	0.000	0.000	0.000	0.000
899	E	313	ARG	1	0.927	0.982	23.744	-45.001	-45.001	0.000	0.000	0.000	0.000
900	E	314	VAL	0	-0.004	0.004	18.972	-0.775	-0.775	0.000	0.000	0.000	0.000
901	E	315	ILE	0	0.013	0.011	19.486	0.323	0.323	0.000	0.000	0.000	0.000
902	E	316	ALA	0	0.007	-0.002	21.630	-0.540	-0.540	0.000	0.000	0.000	0.000
903	E	317	LYS	1	0.830	0.913	23.380	-46.229	-46.229	0.000	0.000	0.000	0.000
904	E	318	TRP	0	0.021	0.000	15.704	0.204	0.204	0.000	0.000	0.000	0.000
905	E	319	LEU	0	0.029	0.006	22.115	-0.442	-0.442	0.000	0.000	0.000	0.000
906	E	320	ARG	1	0.840	0.949	24.573	-38.528	-38.528	0.000	0.000	0.000	0.000
907	E	321	LEU	0	-0.046	-0.022	22.982	-1.160	-1.160	0.000	0.000	0.000	0.000
908	E	322	ALA	0	-0.042	-0.018	22.952	-0.291	-0.291	0.000	0.000	0.000	0.000
909	E	323	GLY	0	0.030	0.022	24.742	-0.743	-0.743	0.000	0.000	0.000	0.000
910	E	324	VAL	0	-0.015	-0.007	26.792	-0.435	-0.435	0.000	0.000	0.000	0.000
911	E	325	ASP	-1	-0.745	-0.871	29.808	34.162	34.162	0.000	0.000	0.000	0.000
912	E	326	HIS	0	-0.022	-0.028	32.484	0.047	0.047	0.000	0.000	0.000	0.000
913	E	327	LEU	0	0.002	-0.006	26.418	1.379	1.379	0.000	0.000	0.000	0.000
914	E	328	HIS	1	0.871	0.961	29.303	-37.721	-37.721	0.000	0.000	0.000	0.000
915	E	329	CYS	0	-0.025	-0.016	28.920	1.598	1.598	0.000	0.000	0.000	0.000
916	E	330	GLY	0	0.046	0.031	30.287	0.754	0.754	0.000	0.000	0.000	0.000
917	E	331	THR	0	-0.032	-0.022	31.954	-1.049	-1.049	0.000	0.000	0.000	0.000
918	E	332	ALA	0	0.001	0.008	34.381	0.439	0.439	0.000	0.000	0.000	0.000
919	E	333	VAL	0	-0.007	-0.013	36.119	0.026	0.026	0.000	0.000	0.000	0.000
920	E	334	GLY	0	0.014	0.025	36.456	-0.542	-0.542	0.000	0.000	0.000	0.000
921	E	335	LYS	1	0.854	0.925	33.469	-33.404	-33.404	0.000	0.000	0.000	0.000
922	E	336	LEU	0	-0.040	-0.015	29.224	0.420	0.420	0.000	0.000	0.000	0.000
923	E	337	GLU	-1	-0.958	-0.993	27.020	40.545	40.545	0.000	0.000	0.000	0.000
924	E	338	GLY	0	0.063	0.027	30.010	0.520	0.520	0.000	0.000	0.000	0.000
925	E	339	ASP	-1	-0.905	-0.945	31.409	33.870	33.870	0.000	0.000	0.000	0.000
926	E	340	PRO	0	0.008	-0.013	33.262	0.457	0.457	0.000	0.000	0.000	0.000
927	E	341	LEU	0	0.015	0.016	35.113	-0.174	-0.174	0.000	0.000	0.000	0.000
928	E	342	THR	0	0.058	0.020	28.604	0.004	0.004	0.000	0.000	0.000	0.000
929	E	343	VAL	0	-0.059	-0.028	30.969	0.860	0.860	0.000	0.000	0.000	0.000
930	E	344	GLN	0	-0.035	-0.034	32.649	0.489	0.489	0.000	0.000	0.000	0.000
931	E	345	GLY	0	0.055	0.045	31.470	-0.282	-0.282	0.000	0.000	0.000	0.000
932	E	346	TYR	0	-0.029	-0.025	26.449	0.980	0.980	0.000	0.000	0.000	0.000
933	E	347	TYR	0	-0.007	-0.015	30.415	-0.245	-0.245	0.000	0.000	0.000	0.000
934	E	348	ASN	0	-0.009	-0.014	33.674	-0.670	-0.670	0.000	0.000	0.000	0.000
935	E	349	VAL	0	-0.004	0.018	27.320	-0.069	-0.069	0.000	0.000	0.000	0.000
936	E	350	CYS	0	-0.055	-0.020	30.264	-0.037	-0.037	0.000	0.000	0.000	0.000
937	E	351	ARG	1	0.917	0.976	31.620	-32.088	-32.088	0.000	0.000	0.000	0.000
938	E	352	GLU	-1	-0.913	-0.961	35.095	31.663	31.663	0.000	0.000	0.000	0.000
939	E	353	PRO	0	-0.070	-0.037	34.296	0.994	0.994	0.000	0.000	0.000	0.000
940	E	354	PHE	0	0.006	-0.012	34.511	0.707	0.707	0.000	0.000	0.000	0.000
941	E	355	ASN	0	-0.003	0.015	31.147	-0.031	-0.031	0.000	0.000	0.000	0.000
942	E	356	THR	0	0.069	0.026	33.417	0.484	0.484	0.000	0.000	0.000	0.000
943	E	357	VAL	0	-0.036	-0.015	31.546	0.368	0.368	0.000	0.000	0.000	0.000
944	E	358	ASP	-1	-0.872	-0.948	32.921	32.162	32.162	0.000	0.000	0.000	0.000
945	E	359	LEU	0	0.021	0.004	31.115	0.755	0.755	0.000	0.000	0.000	0.000
946	E	360	PRO	0	-0.027	-0.010	32.564	0.848	0.848	0.000	0.000	0.000	0.000
947	E	361	ARG	1	0.938	0.975	33.521	-31.728	-31.728	0.000	0.000	0.000	0.000
948	E	362	GLY	0	-0.040	-0.014	29.482	0.738	0.738	0.000	0.000	0.000	0.000
949	E	363	ILE	0	-0.045	-0.009	28.149	1.792	1.792	0.000	0.000	0.000	0.000
950	E	364	PHE	0	0.002	-0.012	26.312	-0.588	-0.588	0.000	0.000	0.000	0.000
951	E	365	PHE	0	-0.056	-0.034	23.367	-0.191	-0.191	0.000	0.000	0.000	0.000
952	E	366	GLU	-1	-0.924	-0.955	28.566	34.620	34.620	0.000	0.000	0.000	0.000
953	E	367	GLN	0	-0.055	-0.017	26.737	2.126	2.126	0.000	0.000	0.000	0.000
954	E	368	ASP	-1	-0.866	-0.950	30.228	33.709	33.709	0.000	0.000	0.000	0.000
955	E	369	TRP	0	-0.066	-0.039	26.447	1.477	1.477	0.000	0.000	0.000	0.000
956	E	370	ALA	0	-0.011	0.001	31.676	0.338	0.338	0.000	0.000	0.000	0.000
957	E	371	ASP	-1	-0.949	-0.974	34.264	31.765	31.765	0.000	0.000	0.000	0.000
958	E	372	LEU	0	0.002	0.017	29.254	0.078	0.078	0.000	0.000	0.000	0.000
959	E	373	ARG	1	0.910	0.945	33.559	-32.236	-32.236	0.000	0.000	0.000	0.000
960	E	374	LYS	1	0.925	0.969	33.391	-29.864	-29.864	0.000	0.000	0.000	0.000
961	E	375	VAL	0	0.022	0.013	30.051	-0.442	-0.442	0.000	0.000	0.000	0.000
962	E	376	MET	0	0.013	0.021	33.478	-0.408	-0.408	0.000	0.000	0.000	0.000
963	E	377	PRO	0	-0.047	-0.012	33.548	0.696	0.696	0.000	0.000	0.000	0.000
964	E	378	VAL	0	-0.007	-0.011	33.547	-1.033	-1.033	0.000	0.000	0.000	0.000
965	E	379	ALA	0	-0.019	-0.007	33.935	1.047	1.047	0.000	0.000	0.000	0.000
966	E	380	SER	0	0.014	-0.019	34.176	-1.158	-1.158	0.000	0.000	0.000	0.000
967	E	381	GLY	0	0.084	0.052	34.314	0.822	0.822	0.000	0.000	0.000	0.000
968	E	382	GLY	0	-0.045	-0.018	35.461	0.072	0.072	0.000	0.000	0.000	0.000
969	E	383	ILE	0	-0.014	-0.002	38.307	-0.313	-0.313	0.000	0.000	0.000	0.000
970	E	384	HIS	0	0.032	0.000	41.074	-0.477	-0.477	0.000	0.000	0.000	0.000
971	E	385	ALA	0	0.075	0.024	44.816	0.115	0.115	0.000	0.000	0.000	0.000
972	E	386	GLY	0	0.000	0.008	47.807	-0.306	-0.306	0.000	0.000	0.000	0.000
973	E	387	GLN	0	-0.027	-0.018	42.477	-0.480	-0.480	0.000	0.000	0.000	0.000
974	E	388	MET	0	-0.008	0.005	44.710	0.618	0.618	0.000	0.000	0.000	0.000
975	E	389	HIS	0	-0.006	-0.011	46.682	0.284	0.284	0.000	0.000	0.000	0.000
976	E	390	GLN	0	0.021	0.010	43.246	0.176	0.176	0.000	0.000	0.000	0.000
977	E	391	LEU	0	-0.017	-0.004	40.034	0.585	0.585	0.000	0.000	0.000	0.000
978	E	392	LEU	0	-0.017	-0.005	42.621	0.434	0.434	0.000	0.000	0.000	0.000
979	E	393	SER	0	-0.009	-0.004	45.290	0.158	0.158	0.000	0.000	0.000	0.000
980	E	394	LEU	0	-0.017	0.008	39.222	0.262	0.262	0.000	0.000	0.000	0.000
981	E	395	PHE	0	-0.011	-0.001	36.656	0.651	0.651	0.000	0.000	0.000	0.000
982	E	396	GLY	0	0.042	0.012	40.785	0.065	0.065	0.000	0.000	0.000	0.000
983	E	397	ASP	-1	-0.820	-0.899	43.686	25.778	25.778	0.000	0.000	0.000	0.000
984	E	398	ASP	-1	-0.938	-0.965	40.485	28.469	28.469	0.000	0.000	0.000	0.000
985	E	399	VAL	0	-0.027	-0.031	38.274	0.987	0.987	0.000	0.000	0.000	0.000
986	E	400	VAL	0	0.035	0.021	37.660	-0.715	-0.715	0.000	0.000	0.000	0.000
987	E	401	LEU	0	-0.013	0.003	38.315	0.740	0.740	0.000	0.000	0.000	0.000
988	E	402	GLN	0	0.009	-0.006	35.155	-0.447	-0.447	0.000	0.000	0.000	0.000
989	E	403	PHE	0	0.006	-0.010	39.570	0.285	0.285	0.000	0.000	0.000	0.000
990	E	404	GLY	0	0.016	0.021	39.314	-0.518	-0.518	0.000	0.000	0.000	0.000
991	E	405	GLY	0	0.012	0.000	40.329	-0.569	-0.569	0.000	0.000	0.000	0.000
992	E	406	GLY	0	-0.021	-0.024	42.193	-0.643	-0.643	0.000	0.000	0.000	0.000
993	E	407	THR	0	-0.029	-0.011	44.283	-0.722	-0.722	0.000	0.000	0.000	0.000
994	E	408	ILE	0	0.003	-0.014	42.820	-0.658	-0.658	0.000	0.000	0.000	0.000
995	E	409	GLY	0	-0.012	0.006	45.779	-0.396	-0.396	0.000	0.000	0.000	0.000
996	E	410	HIS	0	-0.001	-0.009	47.009	-0.282	-0.282	0.000	0.000	0.000	0.000
997	E	411	PRO	0	-0.008	-0.013	50.338	-0.102	-0.102	0.000	0.000	0.000	0.000
998	E	412	MET	0	-0.072	-0.024	53.349	-0.277	-0.277	0.000	0.000	0.000	0.000
999	E	413	GLY	0	0.012	0.003	52.810	-0.306	-0.306	0.000	0.000	0.000	0.000
1000	E	414	ILE	0	0.011	0.017	47.743	0.300	0.300	0.000	0.000	0.000	0.000
1001	E	415	GLN	0	0.069	0.026	50.425	0.213	0.213	0.000	0.000	0.000	0.000
1002	E	416	ALA	0	-0.011	0.011	52.921	-0.043	-0.043	0.000	0.000	0.000	0.000
1003	E	417	GLY	0	0.037	0.020	49.970	-0.045	-0.045	0.000	0.000	0.000	0.000
1004	E	418	ALA	0	-0.002	0.000	48.885	0.289	0.289	0.000	0.000	0.000	0.000
1005	E	419	THR	0	-0.010	-0.017	49.850	-0.026	-0.026	0.000	0.000	0.000	0.000
1006	E	420	ALA	0	-0.034	-0.018	51.536	-0.123	-0.123	0.000	0.000	0.000	0.000
1007	E	421	ASN	0	-0.015	-0.012	46.766	-0.120	-0.120	0.000	0.000	0.000	0.000
1008	E	422	ARG	1	0.837	0.926	49.477	-23.544	-23.544	0.000	0.000	0.000	0.000
1009	E	423	VAL	0	0.028	0.000	51.015	-0.114	-0.114	0.000	0.000	0.000	0.000
1010	E	424	ALA	0	-0.030	-0.012	50.485	-0.173	-0.173	0.000	0.000	0.000	0.000
1011	E	425	LEU	0	0.014	-0.002	46.588	-0.015	-0.015	0.000	0.000	0.000	0.000
1012	E	426	GLU	-1	-0.764	-0.912	50.278	22.465	22.465	0.000	0.000	0.000	0.000
1013	E	427	ALA	0	-0.001	0.004	53.368	-0.289	-0.289	0.000	0.000	0.000	0.000
1014	E	428	MET	0	-0.065	-0.021	50.241	-0.294	-0.294	0.000	0.000	0.000	0.000
1015	E	429	VAL	0	0.015	0.005	49.838	-0.013	-0.013	0.000	0.000	0.000	0.000
1016	E	430	LEU	0	0.000	0.009	52.462	-0.104	-0.104	0.000	0.000	0.000	0.000
1017	E	431	ALA	0	-0.006	-0.002	55.145	-0.272	-0.272	0.000	0.000	0.000	0.000
1018	E	432	ARG	1	0.834	0.899	47.589	-25.134	-25.134	0.000	0.000	0.000	0.000
1019	E	433	ASN	0	-0.050	-0.030	53.084	0.314	0.314	0.000	0.000	0.000	0.000
1020	E	434	GLU	-1	-0.925	-0.960	55.491	20.207	20.207	0.000	0.000	0.000	0.000
1021	E	435	GLY	0	0.006	0.017	57.168	-0.289	-0.289	0.000	0.000	0.000	0.000
1022	E	436	ARG	1	0.836	0.928	57.288	-20.943	-20.943	0.000	0.000	0.000	0.000
1023	E	437	ASN	0	0.028	0.006	52.475	0.728	0.728	0.000	0.000	0.000	0.000
1024	E	438	ILE	0	0.023	-0.004	48.419	-0.173	-0.173	0.000	0.000	0.000	0.000
1025	E	439	ASP	-1	-0.961	-0.975	47.655	25.719	25.719	0.000	0.000	0.000	0.000
1026	E	440	VAL	0	-0.022	-0.007	50.266	-0.008	-0.008	0.000	0.000	0.000	0.000
1027	E	441	GLU	-1	-0.860	-0.943	53.400	20.921	20.921	0.000	0.000	0.000	0.000
1028	E	442	GLY	0	0.040	0.018	51.874	-0.225	-0.225	0.000	0.000	0.000	0.000
1029	E	443	PRO	0	-0.011	-0.016	51.633	-0.170	-0.170	0.000	0.000	0.000	0.000
1030	E	444	GLU	-1	-0.976	-0.989	53.807	20.242	20.242	0.000	0.000	0.000	0.000
1031	E	445	ILE	0	0.004	0.006	54.667	-0.377	-0.377	0.000	0.000	0.000	0.000
1032	E	446	LEU	0	0.020	0.005	50.727	-0.230	-0.230	0.000	0.000	0.000	0.000
1033	E	447	ARG	1	0.970	0.987	55.229	-21.901	-21.901	0.000	0.000	0.000	0.000
1034	E	448	ALA	0	-0.051	-0.028	58.229	-0.366	-0.366	0.000	0.000	0.000	0.000
1035	E	449	ALA	0	0.019	0.011	57.218	-0.327	-0.327	0.000	0.000	0.000	0.000
1036	E	450	ALA	0	0.010	0.003	57.780	-0.088	-0.088	0.000	0.000	0.000	0.000
1037	E	451	LYS	1	0.910	0.972	59.501	-19.892	-19.892	0.000	0.000	0.000	0.000
1038	E	452	TRP	0	0.004	0.000	58.848	-0.344	-0.344	0.000	0.000	0.000	0.000
1039	E	453	CYS	0	-0.047	0.007	56.822	-0.029	-0.029	0.000	0.000	0.000	0.000
1040	E	454	LYS	1	1.011	0.987	59.476	-19.130	-19.130	0.000	0.000	0.000	0.000
1041	E	455	PRO	0	0.009	-0.006	55.508	0.101	0.101	0.000	0.000	0.000	0.000
1042	E	456	LEU	0	0.028	0.008	53.061	0.393	0.393	0.000	0.000	0.000	0.000
1043	E	457	GLU	-1	-0.939	-0.966	54.676	20.308	20.308	0.000	0.000	0.000	0.000
1044	E	458	ALA	0	0.012	0.016	55.766	0.105	0.105	0.000	0.000	0.000	0.000
1045	E	459	ALA	0	-0.024	-0.008	50.688	0.279	0.279	0.000	0.000	0.000	0.000
1046	E	460	LEU	0	-0.035	-0.025	50.922	0.460	0.460	0.000	0.000	0.000	0.000
1047	E	461	ASP	-1	-0.910	-0.942	52.569	21.546	21.546	0.000	0.000	0.000	0.000
1048	E	462	THR	0	-0.120	-0.056	49.300	0.031	0.031	0.000	0.000	0.000	0.000
1049	E	463	TRP	0	-0.067	-0.045	46.485	0.341	0.341	0.000	0.000	0.000	0.000
1050	E	464	GLY	0	0.062	0.046	48.563	0.134	0.134	0.000	0.000	0.000	0.000
1051	E	465	ASN	0	-0.019	-0.023	48.882	0.100	0.100	0.000	0.000	0.000	0.000
1052	E	466	ILE	0	-0.051	-0.018	43.290	0.370	0.370	0.000	0.000	0.000	0.000
1053	E	467	THR	0	0.011	0.008	42.750	0.228	0.228	0.000	0.000	0.000	0.000
1054	E	468	PHE	0	0.008	0.006	37.259	0.173	0.173	0.000	0.000	0.000	0.000
1055	E	469	ASN	0	0.006	0.005	38.422	0.794	0.794	0.000	0.000	0.000	0.000
1056	E	470	TYR	0	0.004	-0.019	34.132	-0.191	-0.191	0.000	0.000	0.000	0.000
1057	E	471	THR	0	-0.007	-0.004	32.245	-0.304	-0.304	0.000	0.000	0.000	0.000
1058	E	472	SER	0	0.019	0.015	31.079	0.678	0.678	0.000	0.000	0.000	0.000
1059	E	473	THR	0	-0.033	-0.020	25.890	-0.213	-0.213	0.000	0.000	0.000	0.000
1060	E	474	ASP	-1	-0.873	-0.937	25.630	45.853	45.853	0.000	0.000	0.000	0.000
1061	E	475	THR	0	-0.043	-0.026	27.029	-1.283	-1.283	0.000	0.000	0.000	0.000
1062	E	476	SER	0	0.057	0.031	28.638	1.308	1.308	0.000	0.000	0.000	0.000
1063	E	477	ASP	-1	-0.817	-0.901	27.907	42.950	42.950	0.000	0.000	0.000	0.000
1064	E	478	PHE	0	-0.014	-0.014	29.690	-0.343	-0.343	0.000	0.000	0.000	0.000
1065	E	479	VAL	0	-0.003	0.007	34.233	-0.809	-0.809	0.000	0.000	0.000	0.000
1066	M	1	MET	0	-0.032	-0.011	60.183	0.083	0.083	0.000	0.000	0.000	0.000
1067	M	2	ARG	1	0.943	0.954	60.850	-20.099	-20.099	0.000	0.000	0.000	0.000
1068	M	3	ILE	0	0.014	0.023	57.665	0.323	0.323	0.000	0.000	0.000	0.000
1069	M	4	THR	0	-0.052	-0.032	54.016	-0.304	-0.304	0.000	0.000	0.000	0.000
1070	M	5	GLN	0	0.002	0.000	53.979	0.357	0.357	0.000	0.000	0.000	0.000
1071	M	6	GLY	0	0.040	0.027	53.507	-0.333	-0.333	0.000	0.000	0.000	0.000
1072	M	7	CYS	0	-0.071	-0.025	52.495	0.075	0.075	0.000	0.000	0.000	0.000
1073	M	8	PHE	0	0.004	-0.031	54.148	-0.327	-0.327	0.000	0.000	0.000	0.000
1074	M	9	SER	0	-0.018	0.012	55.765	-0.523	-0.523	0.000	0.000	0.000	0.000
1075	M	10	PHE	0	-0.052	-0.036	53.825	-0.339	-0.339	0.000	0.000	0.000	0.000
1076	M	11	LEU	0	-0.076	-0.024	56.950	-0.289	-0.289	0.000	0.000	0.000	0.000
1077	M	12	PRO	0	-0.045	-0.026	59.582	-0.120	-0.120	0.000	0.000	0.000	0.000
1078	M	13	ASP	-1	-0.916	-0.956	62.961	19.189	19.189	0.000	0.000	0.000	0.000
1079	M	14	LEU	0	-0.011	0.000	60.093	-0.156	-0.156	0.000	0.000	0.000	0.000
1080	M	15	THR	0	0.041	0.020	64.628	-0.115	-0.115	0.000	0.000	0.000	0.000
1081	M	16	ASP	-1	-0.830	-0.936	66.572	18.130	18.130	0.000	0.000	0.000	0.000
1082	M	17	GLU	-1	-0.967	-0.991	67.701	17.801	17.801	0.000	0.000	0.000	0.000
1083	M	18	GLN	0	-0.003	-0.007	62.793	0.033	0.033	0.000	0.000	0.000	0.000
1084	M	19	ILE	0	-0.007	0.000	62.592	0.398	0.398	0.000	0.000	0.000	0.000
1085	M	20	SER	0	0.030	0.006	62.749	0.182	0.182	0.000	0.000	0.000	0.000
1086	M	21	ALA	0	-0.019	-0.002	61.818	0.129	0.129	0.000	0.000	0.000	0.000
1087	M	22	GLN	0	0.033	0.014	56.931	0.735	0.735	0.000	0.000	0.000	0.000
1088	M	23	VAL	0	0.016	0.002	58.172	0.393	0.393	0.000	0.000	0.000	0.000
1089	M	24	ASP	-1	-0.924	-0.962	59.563	20.476	20.476	0.000	0.000	0.000	0.000
1090	M	25	TYR	0	0.007	0.017	50.453	0.461	0.461	0.000	0.000	0.000	0.000
1091	M	26	CYS	0	-0.075	-0.045	55.052	0.474	0.474	0.000	0.000	0.000	0.000
1092	M	27	LEU	0	0.003	0.001	55.727	0.235	0.235	0.000	0.000	0.000	0.000
1093	M	28	GLY	0	-0.027	0.001	56.978	0.001	0.001	0.000	0.000	0.000	0.000
1094	M	29	ARG	1	0.853	0.923	46.581	-24.984	-24.984	0.000	0.000	0.000	0.000
1095	M	30	GLY	0	-0.033	0.011	52.401	0.348	0.348	0.000	0.000	0.000	0.000
1096	M	31	TRP	0	-0.034	-0.026	49.190	0.300	0.300	0.000	0.000	0.000	0.000
1097	M	32	ALA	0	0.007	0.013	54.740	-0.424	-0.424	0.000	0.000	0.000	0.000
1098	M	33	VAL	0	0.010	0.012	56.801	0.245	0.245	0.000	0.000	0.000	0.000
1099	M	34	SER	0	0.025	0.007	58.751	-0.427	-0.427	0.000	0.000	0.000	0.000
1100	M	35	LEU	0	0.011	0.019	60.250	0.200	0.200	0.000	0.000	0.000	0.000
1101	M	36	GLU	-1	-0.844	-0.919	57.868	21.441	21.441	0.000	0.000	0.000	0.000
1102	M	37	HIS	0	0.024	-0.006	62.214	-0.093	-0.093	0.000	0.000	0.000	0.000
1103	M	38	THR	0	0.010	0.004	61.145	-0.118	-0.118	0.000	0.000	0.000	0.000
1104	M	39	ASP	-1	-0.943	-0.986	64.431	18.427	18.427	0.000	0.000	0.000	0.000
1105	M	40	ASP	-1	-0.888	-0.939	61.014	20.060	20.060	0.000	0.000	0.000	0.000
1106	M	41	PRO	0	-0.044	-0.022	60.120	0.296	0.296	0.000	0.000	0.000	0.000
1107	M	42	HIS	0	0.012	0.000	54.703	0.110	0.110	0.000	0.000	0.000	0.000
1108	M	43	PRO	0	0.021	0.003	52.800	0.166	0.166	0.000	0.000	0.000	0.000
1109	M	44	ARG	1	0.943	0.966	47.398	-24.946	-24.946	0.000	0.000	0.000	0.000
1110	M	45	ASN	0	-0.052	0.000	52.082	0.272	0.272	0.000	0.000	0.000	0.000
1111	M	46	THR	0	0.036	0.017	51.974	-0.091	-0.091	0.000	0.000	0.000	0.000
1112	M	47	TYR	0	-0.030	-0.024	52.299	0.038	0.038	0.000	0.000	0.000	0.000
1113	M	48	TRP	0	-0.061	-0.017	57.375	-0.447	-0.447	0.000	0.000	0.000	0.000
1114	M	49	GLU	-1	-0.944	-0.976	60.487	19.275	19.275	0.000	0.000	0.000	0.000
1115	M	50	MET	0	-0.007	-0.004	58.309	-0.051	-0.051	0.000	0.000	0.000	0.000
1116	M	51	TRP	0	-0.048	-0.013	63.363	-0.316	-0.316	0.000	0.000	0.000	0.000
1117	M	52	GLY	0	-0.004	0.003	65.874	0.004	0.004	0.000	0.000	0.000	0.000
1118	M	53	MET	0	-0.039	-0.034	63.243	0.173	0.173	0.000	0.000	0.000	0.000
1119	M	54	PRO	0	0.013	0.005	58.827	-0.144	-0.144	0.000	0.000	0.000	0.000
1120	M	55	MET	0	-0.006	0.003	61.253	-0.098	-0.098	0.000	0.000	0.000	0.000
1121	M	56	PHE	0	-0.010	-0.016	55.742	0.246	0.246	0.000	0.000	0.000	0.000
1122	M	57	ASP	-1	-0.959	-0.975	59.483	20.417	20.417	0.000	0.000	0.000	0.000
1123	M	58	LEU	0	0.006	0.003	61.771	-0.424	-0.424	0.000	0.000	0.000	0.000
1124	M	59	ARG	1	0.933	0.959	58.922	-20.446	-20.446	0.000	0.000	0.000	0.000
1125	M	60	ASP	-1	-0.862	-0.949	63.711	18.127	18.127	0.000	0.000	0.000	0.000
1126	M	61	PRO	0	0.038	0.027	63.851	-0.010	-0.010	0.000	0.000	0.000	0.000
1127	M	62	LYS	1	0.935	0.956	65.355	-17.599	-17.599	0.000	0.000	0.000	0.000
1128	M	63	GLY	0	0.022	0.007	68.319	-0.200	-0.200	0.000	0.000	0.000	0.000
1129	M	64	VAL	0	0.015	0.007	63.200	-0.075	-0.075	0.000	0.000	0.000	0.000
1130	M	65	MET	0	-0.012	-0.008	66.506	0.068	0.068	0.000	0.000	0.000	0.000
1131	M	66	ILE	0	-0.014	0.010	68.792	-0.220	-0.220	0.000	0.000	0.000	0.000
1132	M	67	GLU	-1	-0.871	-0.943	67.938	17.720	17.720	0.000	0.000	0.000	0.000
1133	M	68	LEU	0	-0.026	-0.009	65.895	0.055	0.055	0.000	0.000	0.000	0.000
1134	M	69	ASP	-1	-0.924	-0.973	68.727	17.305	17.305	0.000	0.000	0.000	0.000
1135	M	70	GLU	-1	-0.991	-0.998	72.180	16.839	16.839	0.000	0.000	0.000	0.000
1136	M	71	CYS	0	-0.038	-0.002	68.377	-0.065	-0.065	0.000	0.000	0.000	0.000
1137	M	72	ARG	1	0.933	0.962	67.626	-18.131	-18.131	0.000	0.000	0.000	0.000
1138	M	73	LYS	1	0.898	0.954	72.084	-16.362	-16.362	0.000	0.000	0.000	0.000
1139	M	74	ALA	0	-0.019	0.009	72.918	-0.205	-0.205	0.000	0.000	0.000	0.000
1140	M	75	TRP	0	-0.036	-0.023	70.249	-0.149	-0.149	0.000	0.000	0.000	0.000
1141	M	76	PRO	0	0.036	0.023	71.335	0.195	0.195	0.000	0.000	0.000	0.000
1142	M	77	GLY	0	-0.019	-0.008	71.283	0.144	0.144	0.000	0.000	0.000	0.000
1143	M	78	ARG	1	0.867	0.924	67.168	-18.251	-18.251	0.000	0.000	0.000	0.000
1144	M	79	TYR	0	0.022	0.009	62.559	-0.095	-0.095	0.000	0.000	0.000	0.000
1145	M	80	ILE	0	0.005	0.008	63.906	0.130	0.130	0.000	0.000	0.000	0.000
1146	M	81	ARG	1	0.862	0.936	55.301	-21.751	-21.751	0.000	0.000	0.000	0.000
1147	M	82	ILE	0	0.034	0.023	58.589	-0.185	-0.185	0.000	0.000	0.000	0.000
1148	M	83	ASN	0	-0.014	-0.019	54.654	0.109	0.109	0.000	0.000	0.000	0.000
1149	M	84	ALA	0	0.014	0.011	53.937	-0.270	-0.270	0.000	0.000	0.000	0.000
1150	M	85	PHE	0	-0.013	-0.008	50.847	0.456	0.456	0.000	0.000	0.000	0.000
1151	M	86	ASP	-1	-0.837	-0.935	47.412	25.255	25.255	0.000	0.000	0.000	0.000
1152	M	87	SER	0	-0.028	-0.018	49.835	-0.010	-0.010	0.000	0.000	0.000	0.000
1153	M	88	THR	0	-0.011	-0.006	45.497	0.100	0.100	0.000	0.000	0.000	0.000
1154	M	89	ARG	1	0.961	0.970	39.614	-29.974	-29.974	0.000	0.000	0.000	0.000
1155	M	90	GLY	0	-0.023	-0.022	41.162	0.351	0.351	0.000	0.000	0.000	0.000
1156	M	91	PHE	0	-0.048	-0.020	41.954	0.507	0.507	0.000	0.000	0.000	0.000
1157	M	92	GLU	-1	-0.935	-0.961	44.281	26.751	26.751	0.000	0.000	0.000	0.000
1158	M	93	THR	0	0.002	0.002	45.436	-0.296	-0.296	0.000	0.000	0.000	0.000
1159	M	94	VAL	0	-0.011	0.002	48.337	-0.323	-0.323	0.000	0.000	0.000	0.000
1160	M	95	THR	0	-0.006	-0.004	47.731	0.398	0.398	0.000	0.000	0.000	0.000
1161	M	96	MET	0	-0.035	-0.024	49.825	0.196	0.196	0.000	0.000	0.000	0.000
1162	M	97	SER	0	0.039	0.014	52.742	-0.424	-0.424	0.000	0.000	0.000	0.000
1163	M	98	PHE	0	0.012	0.007	54.768	0.247	0.247	0.000	0.000	0.000	0.000
1164	M	99	ILE	0	-0.005	0.004	57.562	-0.284	-0.284	0.000	0.000	0.000	0.000
1165	M	100	VAL	0	-0.010	-0.002	60.669	-0.038	-0.038	0.000	0.000	0.000	0.000
1166	M	101	ASN	0	-0.045	-0.014	63.846	-0.348	-0.348	0.000	0.000	0.000	0.000
1167	M	102	ARG	1	0.929	0.961	59.618	-19.848	-19.848	0.000	0.000	0.000	0.000
1168	M	103	PRO	0	-0.023	-0.008	65.901	-0.235	-0.235	0.000	0.000	0.000	0.000
1169	M	104	GLU	-1	-0.933	-0.962	68.828	16.644	16.644	0.000	0.000	0.000	0.000
1170	M	105	VAL	0	-0.033	-0.014	69.400	-0.007	-0.007	0.000	0.000	0.000	0.000
1171	M	106	GLU	-1	-0.918	-0.955	63.675	18.911	18.911	0.000	0.000	0.000	0.000
1172	M	107	PRO	0	-0.034	-0.013	64.459	-0.119	-0.119	0.000	0.000	0.000	0.000
1173	M	108	SER	0	-0.008	-0.007	62.808	0.278	0.278	0.000	0.000	0.000	0.000
1174	M	109	LEU	0	0.044	0.010	57.176	-0.082	-0.082	0.000	0.000	0.000	0.000
1175	M	110	ARG	1	0.896	0.952	60.716	-18.439	-18.439	0.000	0.000	0.000	0.000
1176	M	111	MET	0	-0.005	0.008	54.037	0.263	0.263	0.000	0.000	0.000	0.000
1177	M	112	GLU	-1	-0.977	-0.980	58.434	19.644	19.644	0.000	0.000	0.000	0.000
1178	M	113	ARG	1	0.928	0.954	55.005	-21.084	-21.084	0.000	0.000	0.000	0.000
1179	M	114	THR	0	0.023	0.018	55.256	-0.409	-0.409	0.000	0.000	0.000	0.000
1180	M	115	GLU	-1	-0.963	-0.985	53.965	21.888	21.888	0.000	0.000	0.000	0.000
1181	M	116	VAL	0	-0.018	-0.013	50.633	-0.174	-0.174	0.000	0.000	0.000	0.000
1182	M	117	ASP	-1	-0.885	-0.930	48.464	24.069	24.069	0.000	0.000	0.000	0.000
1183	M	118	GLY	0	-0.043	-0.025	47.913	0.477	0.477	0.000	0.000	0.000	0.000
1184	M	119	ARG	1	0.920	0.934	47.793	-23.801	-23.801	0.000	0.000	0.000	0.000
1185	M	120	SER	0	0.009	0.018	45.936	0.082	0.082	0.000	0.000	0.000	0.000
1186	M	121	ILE	0	0.009	0.013	48.466	-0.462	-0.462	0.000	0.000	0.000	0.000
1187	M	122	ARG	1	0.864	0.933	46.506	-24.747	-24.747	0.000	0.000	0.000	0.000
1188	M	123	TYR	0	0.033	-0.004	49.339	-0.638	-0.638	0.000	0.000	0.000	0.000
1189	M	124	THR	0	0.027	0.015	53.445	0.363	0.363	0.000	0.000	0.000	0.000
1190	M	125	HIS	0	-0.050	-0.014	52.266	-0.339	-0.339	0.000	0.000	0.000	0.000
1191	M	126	SER	0	0.048	0.027	57.373	-0.043	-0.043	0.000	0.000	0.000	0.000
1192	M	127	ILE	0	0.023	0.009	59.997	-0.056	-0.056	0.000	0.000	0.000	0.000
1193	M	128	VAL	0	-0.076	-0.037	63.292	-0.240	-0.240	0.000	0.000	0.000	0.000
1194	M	129	ARG	1	0.968	1.007	66.588	-18.270	-18.270	0.000	0.000	0.000	0.000
1196	E	1001	CAP	-4	-3.553	-3.872	29.156	139.678	139.678	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1195(A:1001:CAP)