FMO DATABASE

FMODB ID: 53J5Z

Calculation Name: 1UWA-AIOT-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 1UWA

Chain ID: AIOT

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	-44054951.388433
FMO2-HF: Nuclear repulsion	43565082.405725
FMO2-HF: Total energy	-489868.982707
FMO2-MP2: Total energy	-491267.147929

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.
-878.653	-879.721	172.770	-88.018	-83.679	-0.695

Interactive mode: IFIE and PIEDA for fragment #1214(A:502:CAP)

Summations of interaction energy for fragment #1214(A:502: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.
-878.653	-879.721	172.77	-88.018	-83.679	0.695

Interaction energy analysis for fragmet #1214(A:502:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.109 / q_NPA : -3.565

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	173	THR	0	0.102	0.038	2.158	-19.011	-15.599	4.360	-3.675	-4.097	-0.018
164	A	174	ILE	0	0.002	-0.005	4.178	7.564	7.780	-0.001	-0.043	-0.172	0.000
165	A	175	LYS	1	0.828	0.913	2.026	-234.254	-232.267	8.686	-4.549	-6.124	0.065
167	A	177	LYS	1	0.761	0.890	4.249	-163.402	-163.040	-0.001	-0.119	-0.242	0.000
191	A	201	KCX	-1	-0.510	-0.803	1.688	177.423	172.693	22.408	-9.303	-8.375	-0.098
193	A	203	ASP	0	0.212	0.043	4.351	5.024	5.187	-0.001	-0.037	-0.125	0.000
194	A	204	GLU	0	0.190	-0.018	3.996	-16.901	-16.533	-0.001	-0.085	-0.281	0.000
285	A	294	HIS	0	0.092	0.025	1.888	-1.392	-1.764	6.834	-2.582	-3.880	0.011
286	A	295	ARG	1	0.786	0.866	1.842	-271.896	-271.344	21.373	-12.709	-9.215	0.178
287	A	296	ALA	0	0.019	0.005	5.067	-0.326	-0.257	-0.001	-0.009	-0.059	0.000
289	A	298	HIS	1	0.852	0.903	3.201	-178.693	-176.312	0.093	-1.258	-1.214	0.012
318	A	327	HIS	0	-0.009	0.000	1.770	-59.067	-58.737	14.963	-8.110	-7.184	0.098
319	A	328	SER	0	0.013	-0.005	4.652	-6.924	-6.760	-0.001	-0.024	-0.139	0.000
320	A	329	GLY	0	0.031	0.018	3.520	-12.135	-10.916	0.037	-0.648	-0.608	0.004
321	A	330	THR	0	0.015	0.002	4.489	-20.962	-20.755	0.000	-0.033	-0.174	0.000
325	A	334	LYS	1	0.768	0.865	1.938	-271.984	-270.340	8.474	-5.360	-4.757	0.074
326	A	335	LEU	0	-0.022	-0.004	2.508	-21.223	-17.882	2.287	-2.223	-3.405	0.021
327	A	336	GLU	-1	-0.775	-0.880	5.479	81.927	81.979	-0.001	0.000	-0.050	0.000
369	A	378	ALA	0	0.039	0.034	4.732	20.210	20.406	-0.001	-0.005	-0.189	0.000
370	A	379	SER	0	-0.003	-0.030	2.084	-30.036	-24.621	4.871	-4.810	-5.477	0.029
371	A	380	GLY	0	0.072	0.039	2.135	9.005	11.907	7.059	-5.167	-4.794	0.025
372	A	381	GLY	0	-0.039	-0.034	1.825	-45.671	-51.152	10.507	-1.295	-3.731	0.059
373	A	382	ILE	0	-0.047	-0.009	3.791	-29.609	-28.870	0.025	-0.327	-0.437	0.003
392	A	401	GLN	0	0.024	-0.009	3.998	-22.699	-22.503	-0.001	-0.023	-0.172	0.000
393	A	402	PHE	0	0.027	0.007	3.727	18.275	19.028	0.015	-0.256	-0.512	0.001
394	A	403	GLY	0	0.074	0.045	1.941	-37.905	-38.102	8.860	-5.037	-3.626	0.063
395	A	404	GLY	0	0.047	0.002	1.877	-51.312	-55.651	9.445	-1.614	-3.492	0.056
396	A	405	GLY	0	-0.028	-0.012	3.740	-28.571	-27.923	0.036	-0.297	-0.387	0.004
659	O	60	GLU	-1	-0.786	-0.897	5.395	183.587	183.640	-0.001	-0.021	-0.031	0.000
664	O	65	THR	0	-0.055	-0.081	1.475	-15.885	-34.413	37.596	-14.706	-4.363	0.079
665	O	66	TRP	0	0.023	0.019	2.338	-51.762	-49.384	3.446	-2.409	-3.414	0.034
722	O	123	ASN	0	0.098	0.025	2.720	4.696	7.433	1.406	-1.280	-2.863	-0.005
723	O	124	VAL	0	0.006	0.003	5.027	3.878	3.973	-0.001	-0.004	-0.090	0.000
1	A	11	ALA	0	-0.005	-0.013	50.671	-0.159	-0.159	0.000	0.000	0.000	0.000
2	A	12	GLY	0	0.002	0.007	52.070	0.111	0.111	0.000	0.000	0.000	0.000
3	A	13	PHE	0	-0.001	0.006	47.465	0.319	0.319	0.000	0.000	0.000	0.000
4	A	14	LYS	1	0.933	0.963	49.803	-23.798	-23.798	0.000	0.000	0.000	0.000
5	A	15	ALA	0	0.032	0.022	48.502	0.471	0.471	0.000	0.000	0.000	0.000
6	A	16	GLY	0	0.054	0.019	47.285	-0.390	-0.390	0.000	0.000	0.000	0.000
7	A	17	VAL	0	-0.006	-0.003	42.175	0.302	0.302	0.000	0.000	0.000	0.000
8	A	18	LYS	1	0.878	0.951	43.353	-26.950	-26.950	0.000	0.000	0.000	0.000
9	A	19	ASP	-1	-0.870	-0.928	41.141	28.220	28.220	0.000	0.000	0.000	0.000
10	A	20	TYR	0	-0.039	-0.048	35.603	-0.341	-0.341	0.000	0.000	0.000	0.000
11	A	21	ARG	1	0.955	0.950	38.535	-28.913	-28.913	0.000	0.000	0.000	0.000
12	A	22	LEU	0	-0.065	-0.024	39.405	-0.297	-0.297	0.000	0.000	0.000	0.000
13	A	23	THR	0	-0.067	-0.025	39.810	-0.681	-0.681	0.000	0.000	0.000	0.000
14	A	24	TYR	0	0.038	0.006	35.228	-0.144	-0.144	0.000	0.000	0.000	0.000
15	A	25	TYR	0	-0.004	0.021	35.680	0.570	0.570	0.000	0.000	0.000	0.000
16	A	26	THR	0	-0.067	-0.055	36.818	-0.794	-0.794	0.000	0.000	0.000	0.000
17	A	27	PRO	0	0.032	0.019	37.360	0.501	0.501	0.000	0.000	0.000	0.000
18	A	28	ASP	-1	-0.895	-0.930	38.436	27.795	27.795	0.000	0.000	0.000	0.000
19	A	29	TYR	0	-0.154	-0.094	34.294	-0.801	-0.801	0.000	0.000	0.000	0.000
20	A	30	VAL	0	0.009	0.011	37.112	0.579	0.579	0.000	0.000	0.000	0.000
21	A	31	VAL	0	-0.012	-0.007	31.896	-0.104	-0.104	0.000	0.000	0.000	0.000
22	A	32	ARG	1	0.940	0.971	34.331	-30.848	-30.848	0.000	0.000	0.000	0.000
23	A	33	ASP	-1	-0.877	-0.946	32.429	34.837	34.837	0.000	0.000	0.000	0.000
24	A	34	THR	0	-0.057	-0.043	31.344	0.546	0.546	0.000	0.000	0.000	0.000
25	A	35	ASP	-1	-0.815	-0.887	30.603	34.673	34.673	0.000	0.000	0.000	0.000
26	A	36	ILE	0	0.014	0.013	24.458	0.872	0.872	0.000	0.000	0.000	0.000
27	A	37	LEU	0	-0.041	-0.010	25.922	-1.122	-1.122	0.000	0.000	0.000	0.000
28	A	38	ALA	0	0.016	0.020	23.409	2.124	2.124	0.000	0.000	0.000	0.000
29	A	39	ALA	0	0.014	0.018	22.446	-1.750	-1.750	0.000	0.000	0.000	0.000
30	A	40	PHE	0	0.014	-0.001	22.054	2.582	2.582	0.000	0.000	0.000	0.000
31	A	41	ARG	1	0.838	0.917	19.493	-53.983	-53.983	0.000	0.000	0.000	0.000
32	A	42	MET	0	-0.001	0.001	23.392	0.983	0.983	0.000	0.000	0.000	0.000
33	A	43	THR	0	-0.004	-0.001	25.216	-0.594	-0.594	0.000	0.000	0.000	0.000
34	A	44	PRO	0	0.041	0.019	27.648	0.314	0.314	0.000	0.000	0.000	0.000
35	A	45	GLN	0	-0.015	0.002	31.132	-0.055	-0.055	0.000	0.000	0.000	0.000
36	A	46	PRO	0	0.027	0.006	33.166	-0.474	-0.474	0.000	0.000	0.000	0.000
37	A	47	GLY	0	-0.006	-0.005	36.134	-0.371	-0.371	0.000	0.000	0.000	0.000
38	A	48	VAL	0	-0.039	-0.008	34.690	-0.692	-0.692	0.000	0.000	0.000	0.000
39	A	49	PRO	0	-0.010	-0.004	35.794	0.581	0.581	0.000	0.000	0.000	0.000
40	A	50	PRO	0	0.084	0.035	33.205	0.423	0.423	0.000	0.000	0.000	0.000
41	A	51	GLU	-1	-0.899	-0.958	33.744	31.667	31.667	0.000	0.000	0.000	0.000
42	A	52	GLU	-1	-0.768	-0.883	35.882	30.394	30.394	0.000	0.000	0.000	0.000
43	A	53	CYS	0	-0.016	-0.004	30.361	0.516	0.516	0.000	0.000	0.000	0.000
44	A	54	GLY	0	0.058	0.020	30.656	0.925	0.925	0.000	0.000	0.000	0.000
45	A	55	ALA	0	-0.033	-0.007	31.667	0.433	0.433	0.000	0.000	0.000	0.000
46	A	56	ALA	0	0.014	0.008	32.620	-0.033	-0.033	0.000	0.000	0.000	0.000
47	A	57	VAL	0	0.012	0.006	26.822	0.311	0.311	0.000	0.000	0.000	0.000
48	A	58	ALA	0	0.010	0.017	29.426	0.556	0.556	0.000	0.000	0.000	0.000
49	A	59	ALA	0	-0.009	0.006	31.079	-0.070	-0.070	0.000	0.000	0.000	0.000
50	A	60	GLU	-1	-0.784	-0.894	30.947	33.685	33.685	0.000	0.000	0.000	0.000
51	A	61	SER	0	-0.039	0.011	26.930	0.793	0.793	0.000	0.000	0.000	0.000
52	A	62	SER	0	-0.027	-0.033	28.776	0.023	0.023	0.000	0.000	0.000	0.000
53	A	63	THR	0	-0.018	-0.021	31.521	-0.355	-0.355	0.000	0.000	0.000	0.000
54	A	64	GLY	0	-0.011	0.005	34.573	-0.902	-0.902	0.000	0.000	0.000	0.000
55	A	65	THR	0	-0.044	-0.066	34.872	0.902	0.902	0.000	0.000	0.000	0.000
56	A	66	TRP	0	0.017	0.012	36.952	-0.637	-0.637	0.000	0.000	0.000	0.000
57	A	67	THR	0	0.003	0.001	38.590	-0.778	-0.778	0.000	0.000	0.000	0.000
58	A	68	THR	0	-0.074	-0.021	41.740	0.403	0.403	0.000	0.000	0.000	0.000
59	A	69	VAL	0	0.038	0.011	41.439	-0.410	-0.410	0.000	0.000	0.000	0.000
60	A	70	TRP	0	-0.025	-0.020	44.344	-0.181	-0.181	0.000	0.000	0.000	0.000
61	A	71	THR	0	-0.048	-0.067	42.750	-0.368	-0.368	0.000	0.000	0.000	0.000
62	A	72	ASP	-1	-0.849	-0.931	41.766	28.111	28.111	0.000	0.000	0.000	0.000
63	A	73	GLY	0	-0.050	-0.022	44.035	0.004	0.004	0.000	0.000	0.000	0.000
64	A	74	LEU	0	-0.084	-0.033	45.917	-0.426	-0.426	0.000	0.000	0.000	0.000
65	A	75	THR	0	-0.050	-0.027	41.389	-0.031	-0.031	0.000	0.000	0.000	0.000
66	A	76	SER	0	-0.016	-0.003	42.811	-0.274	-0.274	0.000	0.000	0.000	0.000
67	A	77	LEU	0	0.084	0.020	39.387	0.573	0.573	0.000	0.000	0.000	0.000
68	A	78	ASP	-1	-0.941	-0.961	39.492	27.671	27.671	0.000	0.000	0.000	0.000
69	A	79	ARG	1	0.874	0.957	39.170	-28.202	-28.202	0.000	0.000	0.000	0.000
70	A	80	TYR	0	-0.009	-0.013	36.232	0.269	0.269	0.000	0.000	0.000	0.000
71	A	81	LYS	1	0.856	0.942	34.884	-28.269	-28.269	0.000	0.000	0.000	0.000
72	A	82	GLY	0	0.052	0.022	32.023	0.216	0.216	0.000	0.000	0.000	0.000
73	A	83	ARG	1	0.837	0.911	32.542	-31.450	-31.450	0.000	0.000	0.000	0.000
74	A	84	CYS	0	0.029	0.013	31.955	1.190	1.190	0.000	0.000	0.000	0.000
75	A	85	TYR	0	-0.027	-0.027	29.587	-0.596	-0.596	0.000	0.000	0.000	0.000
76	A	86	ASP	-1	-0.865	-0.933	31.681	34.120	34.120	0.000	0.000	0.000	0.000
77	A	87	ILE	0	-0.050	-0.026	31.194	1.047	1.047	0.000	0.000	0.000	0.000
78	A	88	GLU	-1	-0.822	-0.886	27.906	39.689	39.689	0.000	0.000	0.000	0.000
79	A	89	PRO	0	0.005	0.007	29.629	0.914	0.914	0.000	0.000	0.000	0.000
80	A	90	VAL	0	-0.005	-0.004	24.707	0.835	0.835	0.000	0.000	0.000	0.000
81	A	91	PRO	0	-0.024	-0.009	26.681	-0.747	-0.747	0.000	0.000	0.000	0.000
82	A	92	GLY	0	-0.014	-0.019	26.916	1.416	1.416	0.000	0.000	0.000	0.000
83	A	93	GLU	-1	-0.907	-0.954	24.744	45.407	45.407	0.000	0.000	0.000	0.000
84	A	94	ASP	-1	-0.924	-0.954	28.650	36.124	36.124	0.000	0.000	0.000	0.000
85	A	95	ASN	0	-0.094	-0.062	29.929	-1.638	-1.638	0.000	0.000	0.000	0.000
86	A	96	GLN	0	0.076	0.032	22.899	1.335	1.335	0.000	0.000	0.000	0.000
87	A	97	TYR	0	0.006	-0.003	27.521	-1.113	-1.113	0.000	0.000	0.000	0.000
88	A	98	ILE	0	-0.023	-0.006	23.558	1.655	1.655	0.000	0.000	0.000	0.000
89	A	99	ALA	0	0.011	0.012	26.883	-1.567	-1.567	0.000	0.000	0.000	0.000
90	A	100	TYR	0	-0.037	-0.023	26.356	2.425	2.425	0.000	0.000	0.000	0.000
91	A	101	VAL	0	0.013	0.001	27.583	-1.612	-1.612	0.000	0.000	0.000	0.000
92	A	102	ALA	0	-0.021	-0.001	28.149	1.132	1.132	0.000	0.000	0.000	0.000
93	A	103	TYR	0	-0.019	-0.055	26.081	-0.678	-0.678	0.000	0.000	0.000	0.000
94	A	104	HYP	0	0.012	0.009	30.287	0.285	0.285	0.000	0.000	0.000	0.000
95	A	105	ILE	0	0.055	0.018	29.689	0.422	0.422	0.000	0.000	0.000	0.000
96	A	106	ASP	-1	-0.898	-0.956	31.109	32.095	32.095	0.000	0.000	0.000	0.000
97	A	107	LEU	0	-0.095	-0.051	30.254	-0.389	-0.389	0.000	0.000	0.000	0.000
98	A	108	PHE	0	-0.017	0.004	25.580	0.540	0.540	0.000	0.000	0.000	0.000
99	A	109	GLU	-1	-0.792	-0.888	27.216	37.964	37.964	0.000	0.000	0.000	0.000
100	A	110	GLU	-1	-0.793	-0.894	26.714	37.311	37.311	0.000	0.000	0.000	0.000
101	A	111	GLY	0	0.023	0.020	24.609	-0.117	-0.117	0.000	0.000	0.000	0.000
102	A	112	SER	0	-0.021	-0.006	23.045	2.351	2.351	0.000	0.000	0.000	0.000
103	A	113	VAL	0	0.023	0.010	16.763	-0.774	-0.774	0.000	0.000	0.000	0.000
104	A	114	THR	0	0.004	-0.001	20.153	0.915	0.915	0.000	0.000	0.000	0.000
105	A	115	ASN	0	0.002	0.004	20.996	-0.646	-0.646	0.000	0.000	0.000	0.000
106	A	116	MET	0	-0.002	0.015	19.436	-1.192	-1.192	0.000	0.000	0.000	0.000
107	A	117	PHE	0	0.009	-0.016	15.109	-0.080	-0.080	0.000	0.000	0.000	0.000
108	A	118	THR	0	-0.011	0.020	20.703	0.426	0.426	0.000	0.000	0.000	0.000
109	A	119	SER	0	0.011	0.004	23.517	-1.488	-1.488	0.000	0.000	0.000	0.000
110	A	120	ILE	0	-0.034	-0.008	22.145	-0.558	-0.558	0.000	0.000	0.000	0.000
111	A	121	VAL	0	-0.027	-0.027	18.465	-0.013	-0.013	0.000	0.000	0.000	0.000
112	A	122	GLY	0	0.017	0.030	21.821	0.855	0.855	0.000	0.000	0.000	0.000
113	A	123	ASN	0	0.119	0.030	23.918	1.537	1.537	0.000	0.000	0.000	0.000
114	A	124	VAL	0	0.001	0.000	24.635	-0.104	-0.104	0.000	0.000	0.000	0.000
115	A	125	PHE	0	0.027	0.017	19.763	-0.853	-0.853	0.000	0.000	0.000	0.000
116	A	126	GLY	0	0.035	0.014	24.066	0.542	0.542	0.000	0.000	0.000	0.000
117	A	127	PHE	0	-0.014	0.001	26.390	-1.302	-1.302	0.000	0.000	0.000	0.000
118	A	128	LYS	1	0.824	0.923	29.401	-32.325	-32.325	0.000	0.000	0.000	0.000
119	A	129	ALA	0	-0.011	0.003	31.827	-0.014	-0.014	0.000	0.000	0.000	0.000
120	A	130	LEU	0	-0.020	-0.008	26.177	-0.309	-0.309	0.000	0.000	0.000	0.000
121	A	131	ARG	1	0.831	0.904	27.927	-38.272	-38.272	0.000	0.000	0.000	0.000
122	A	132	ALA	0	-0.013	-0.007	22.798	1.399	1.399	0.000	0.000	0.000	0.000
123	A	133	LEU	0	-0.024	-0.008	22.537	-1.744	-1.744	0.000	0.000	0.000	0.000
124	A	134	ARG	1	0.831	0.911	13.378	-66.450	-66.450	0.000	0.000	0.000	0.000
125	A	135	LEU	0	-0.022	0.011	18.175	-1.866	-1.866	0.000	0.000	0.000	0.000
126	A	136	GLU	-1	-0.785	-0.895	17.344	63.286	63.286	0.000	0.000	0.000	0.000
127	A	137	ASP	-1	-0.788	-0.911	17.588	58.324	58.324	0.000	0.000	0.000	0.000
128	A	138	LEU	0	0.000	-0.013	19.053	-1.998	-1.998	0.000	0.000	0.000	0.000
129	A	139	ARG	1	0.845	0.942	21.063	-38.552	-38.552	0.000	0.000	0.000	0.000
130	A	140	ILE	0	0.013	-0.011	20.403	-1.746	-1.746	0.000	0.000	0.000	0.000
131	A	141	PRO	0	0.008	0.025	23.711	0.222	0.222	0.000	0.000	0.000	0.000
132	A	142	PRO	0	0.131	0.046	26.749	0.458	0.458	0.000	0.000	0.000	0.000
133	A	143	ALA	0	-0.017	-0.017	28.103	0.061	0.061	0.000	0.000	0.000	0.000
134	A	144	TYR	0	-0.005	-0.017	23.635	0.096	0.096	0.000	0.000	0.000	0.000
135	A	145	VAL	0	0.036	0.031	22.927	0.439	0.439	0.000	0.000	0.000	0.000
136	A	146	LYS	1	0.931	0.956	24.934	-38.794	-38.794	0.000	0.000	0.000	0.000
137	A	147	THR	0	-0.096	-0.050	26.559	-0.553	-0.553	0.000	0.000	0.000	0.000
138	A	148	PHE	0	-0.018	-0.009	21.579	0.164	0.164	0.000	0.000	0.000	0.000
139	A	149	VAL	0	-0.007	0.001	22.944	-0.572	-0.572	0.000	0.000	0.000	0.000
140	A	150	GLY	0	0.009	0.013	19.991	-0.296	-0.296	0.000	0.000	0.000	0.000
141	A	151	HYP	0	-0.072	-0.042	16.874	1.418	1.418	0.000	0.000	0.000	0.000
142	A	152	PRO	0	-0.002	0.020	17.591	-2.747	-2.747	0.000	0.000	0.000	0.000
143	A	153	HIS	0	-0.057	-0.038	19.226	-5.396	-5.396	0.000	0.000	0.000	0.000
144	A	154	GLY	0	0.060	0.030	17.690	-2.085	-2.085	0.000	0.000	0.000	0.000
145	A	155	ILE	0	-0.032	-0.017	15.237	-1.050	-1.050	0.000	0.000	0.000	0.000
146	A	156	GLN	0	-0.046	-0.016	18.116	0.267	0.267	0.000	0.000	0.000	0.000
147	A	157	VAL	0	0.065	0.032	21.812	-0.631	-0.631	0.000	0.000	0.000	0.000
148	A	158	GLU	-1	-0.804	-0.889	15.400	73.548	73.548	0.000	0.000	0.000	0.000
149	A	159	ARG	1	0.805	0.888	17.567	-63.134	-63.134	0.000	0.000	0.000	0.000
150	A	160	ASP	-1	-0.810	-0.898	20.882	45.466	45.466	0.000	0.000	0.000	0.000
151	A	161	LYS	1	0.809	0.924	22.263	-50.287	-50.287	0.000	0.000	0.000	0.000
152	A	162	LEU	0	-0.028	-0.016	17.253	-0.924	-0.924	0.000	0.000	0.000	0.000
153	A	163	ASN	0	-0.022	-0.007	21.688	-1.150	-1.150	0.000	0.000	0.000	0.000
154	A	164	LYS	1	0.744	0.881	17.914	-61.603	-61.603	0.000	0.000	0.000	0.000
155	A	165	TYR	0	-0.005	-0.025	21.375	1.244	1.244	0.000	0.000	0.000	0.000
156	A	166	GLY	0	0.015	0.019	22.260	-0.415	-0.415	0.000	0.000	0.000	0.000
157	A	167	ARG	1	0.787	0.885	15.809	-65.932	-65.932	0.000	0.000	0.000	0.000
158	A	168	GLY	0	0.047	0.042	15.151	0.153	0.153	0.000	0.000	0.000	0.000
159	A	169	LEU	0	-0.025	-0.018	13.547	-2.048	-2.048	0.000	0.000	0.000	0.000
160	A	170	LEU	0	0.003	0.010	10.307	6.111	6.111	0.000	0.000	0.000	0.000
161	A	171	GLY	0	0.048	0.005	8.723	-5.825	-5.825	0.000	0.000	0.000	0.000
162	A	172	CYS	0	-0.049	-0.014	5.347	4.297	4.297	0.000	0.000	0.000	0.000
166	A	176	PRO	0	0.055	0.040	7.019	-8.918	-8.918	0.000	0.000	0.000	0.000
168	A	178	LEU	0	-0.019	-0.007	7.432	-6.364	-6.364	0.000	0.000	0.000	0.000
169	A	179	GLY	0	0.052	0.020	10.993	-0.051	-0.051	0.000	0.000	0.000	0.000
170	A	180	LEU	0	-0.051	-0.012	11.443	-5.744	-5.744	0.000	0.000	0.000	0.000
171	A	181	SER	0	0.043	0.020	14.486	0.080	0.080	0.000	0.000	0.000	0.000
172	A	182	ALA	0	0.080	0.031	16.146	2.442	2.442	0.000	0.000	0.000	0.000
173	A	183	LYS	1	0.962	0.987	17.021	-46.886	-46.886	0.000	0.000	0.000	0.000
174	A	184	ASN	0	-0.008	-0.026	15.915	-1.387	-1.387	0.000	0.000	0.000	0.000
175	A	185	TYR	0	0.099	0.046	8.232	1.726	1.726	0.000	0.000	0.000	0.000
176	A	186	GLY	0	0.059	0.034	13.526	2.696	2.696	0.000	0.000	0.000	0.000
177	A	187	ARG	1	0.896	0.949	16.067	-55.449	-55.449	0.000	0.000	0.000	0.000
178	A	188	ALA	0	0.003	-0.001	11.660	-0.406	-0.406	0.000	0.000	0.000	0.000
179	A	189	VAL	0	0.048	0.026	11.376	2.112	2.112	0.000	0.000	0.000	0.000
180	A	190	TYR	0	-0.060	-0.066	13.311	-0.326	-0.326	0.000	0.000	0.000	0.000
181	A	191	GLU	-1	-0.920	-0.962	14.980	57.886	57.886	0.000	0.000	0.000	0.000
182	A	192	CYS	0	-0.030	-0.016	9.416	-0.338	-0.338	0.000	0.000	0.000	0.000
183	A	193	LEU	0	0.021	0.012	12.748	-1.373	-1.373	0.000	0.000	0.000	0.000
184	A	194	ARG	1	0.731	0.826	14.859	-56.663	-56.663	0.000	0.000	0.000	0.000
185	A	195	GLY	0	-0.024	-0.008	15.773	-2.750	-2.750	0.000	0.000	0.000	0.000
186	A	196	GLY	0	0.026	0.012	15.936	-0.576	-0.576	0.000	0.000	0.000	0.000
187	A	197	LEU	0	-0.051	-0.017	9.415	0.316	0.316	0.000	0.000	0.000	0.000
188	A	198	ASP	-1	-0.758	-0.850	13.024	67.255	67.255	0.000	0.000	0.000	0.000
189	A	199	PHE	0	0.013	-0.001	10.623	-3.832	-3.832	0.000	0.000	0.000	0.000
190	A	200	THR	0	-0.036	-0.042	8.617	3.168	3.168	0.000	0.000	0.000	0.000
192	A	202	ASP	-1	-0.712	-0.839	6.800	85.972	85.972	0.000	0.000	0.000	0.000
196	A	205	ASN	0	-0.006	-0.012	5.604	-4.073	-4.073	0.000	0.000	0.000	0.000
197	A	206	VAL	0	-0.060	-0.010	8.299	-9.072	-9.072	0.000	0.000	0.000	0.000
198	A	207	ASN	0	-0.024	-0.010	10.270	-2.612	-2.612	0.000	0.000	0.000	0.000
199	A	208	SER	0	0.039	0.007	13.071	-1.950	-1.950	0.000	0.000	0.000	0.000
200	A	209	GLN	0	0.004	-0.002	12.420	-1.323	-1.323	0.000	0.000	0.000	0.000
201	A	210	PRO	0	0.003	0.002	17.558	-1.134	-1.134	0.000	0.000	0.000	0.000
202	A	211	PHE	0	-0.032	-0.002	12.958	-1.556	-1.556	0.000	0.000	0.000	0.000
203	A	212	MET	0	-0.074	-0.023	12.169	-0.956	-0.956	0.000	0.000	0.000	0.000
204	A	213	ARG	1	0.843	0.929	16.826	-50.363	-50.363	0.000	0.000	0.000	0.000
205	A	214	TRP	0	0.066	0.010	16.718	0.334	0.334	0.000	0.000	0.000	0.000
206	A	215	ARG	1	0.971	0.995	17.689	-44.015	-44.015	0.000	0.000	0.000	0.000
207	A	216	ASP	-1	-0.893	-0.949	20.017	48.360	48.360	0.000	0.000	0.000	0.000
208	A	217	ARG	1	0.784	0.860	12.401	-75.015	-75.015	0.000	0.000	0.000	0.000
209	A	218	PHE	0	-0.001	-0.009	14.871	0.414	0.414	0.000	0.000	0.000	0.000
210	A	219	LEU	0	0.025	0.015	17.903	-0.530	-0.530	0.000	0.000	0.000	0.000
211	A	220	PHE	0	0.004	-0.008	18.390	-1.066	-1.066	0.000	0.000	0.000	0.000
212	A	221	VAL	0	-0.009	0.002	13.690	0.218	0.218	0.000	0.000	0.000	0.000
213	A	222	ALA	0	0.011	0.011	16.673	0.283	0.283	0.000	0.000	0.000	0.000
214	A	223	GLU	-1	-0.988	-0.991	19.521	46.330	46.330	0.000	0.000	0.000	0.000
215	A	224	ALA	0	-0.028	-0.017	16.782	-0.905	-0.905	0.000	0.000	0.000	0.000
216	A	225	ILE	0	0.021	0.000	15.609	0.092	0.092	0.000	0.000	0.000	0.000
217	A	226	TYR	0	-0.031	-0.020	18.264	-0.708	-0.708	0.000	0.000	0.000	0.000
218	A	227	LYS	1	0.913	0.975	21.372	-48.646	-48.646	0.000	0.000	0.000	0.000
219	A	228	ALA	0	0.034	0.008	18.419	-1.343	-1.343	0.000	0.000	0.000	0.000
220	A	229	GLN	0	0.021	0.031	20.361	1.487	1.487	0.000	0.000	0.000	0.000
221	A	230	ALA	0	-0.019	-0.005	21.939	-1.461	-1.461	0.000	0.000	0.000	0.000
222	A	231	GLU	-1	-0.826	-0.886	22.035	49.644	49.644	0.000	0.000	0.000	0.000
223	A	232	THR	0	-0.020	-0.029	19.433	-0.855	-0.855	0.000	0.000	0.000	0.000
224	A	233	GLY	0	-0.004	0.008	22.924	-0.919	-0.919	0.000	0.000	0.000	0.000
225	A	234	GLU	-1	-0.785	-0.866	19.533	56.364	56.364	0.000	0.000	0.000	0.000
226	A	235	VAL	0	0.022	0.004	19.461	0.585	0.585	0.000	0.000	0.000	0.000
227	A	236	LYS	1	0.865	0.954	16.526	-61.018	-61.018	0.000	0.000	0.000	0.000
228	A	237	GLY	0	0.022	-0.001	15.209	-2.900	-2.900	0.000	0.000	0.000	0.000
229	A	238	HIS	0	-0.019	-0.007	9.630	3.479	3.479	0.000	0.000	0.000	0.000
230	A	239	TYR	0	-0.017	-0.015	7.432	-8.125	-8.125	0.000	0.000	0.000	0.000
231	A	240	LEU	0	-0.017	-0.001	10.181	4.065	4.065	0.000	0.000	0.000	0.000
232	A	241	ASN	0	0.010	-0.010	8.502	-5.592	-5.592	0.000	0.000	0.000	0.000
233	A	242	ALA	0	-0.023	-0.008	11.415	-4.255	-4.255	0.000	0.000	0.000	0.000
234	A	243	THR	0	-0.012	0.001	10.090	-5.209	-5.209	0.000	0.000	0.000	0.000
235	A	244	ALA	0	-0.003	-0.001	13.210	-0.722	-0.722	0.000	0.000	0.000	0.000
236	A	245	GLY	0	0.041	0.021	16.313	0.752	0.752	0.000	0.000	0.000	0.000
237	A	246	THR	0	0.017	0.010	18.956	-0.535	-0.535	0.000	0.000	0.000	0.000
238	O	247	CYS	0	0.076	0.005	20.316	1.183	1.183	0.000	0.000	0.000	0.000
239	A	248	GLU	-1	-0.826	-0.896	21.797	44.786	44.786	0.000	0.000	0.000	0.000
240	A	249	GLU	-1	-0.839	-0.907	19.888	48.842	48.842	0.000	0.000	0.000	0.000
241	A	250	MET	0	-0.013	0.014	16.437	1.237	1.237	0.000	0.000	0.000	0.000
242	A	251	MET	0	-0.010	-0.008	18.699	1.205	1.205	0.000	0.000	0.000	0.000
243	A	252	LYS	1	0.850	0.916	21.448	-45.405	-45.405	0.000	0.000	0.000	0.000
244	A	253	ARG	1	0.741	0.858	15.807	-59.292	-59.292	0.000	0.000	0.000	0.000
245	A	254	ALA	0	0.032	0.018	18.466	0.708	0.708	0.000	0.000	0.000	0.000
246	A	255	VAL	0	0.003	0.004	19.304	-0.471	-0.471	0.000	0.000	0.000	0.000
247	A	256	SMC	0	-0.054	-0.013	20.955	-0.368	-0.368	0.000	0.000	0.000	0.000
248	A	257	ALA	0	0.036	0.009	17.935	-0.502	-0.502	0.000	0.000	0.000	0.000
249	A	258	LYS	1	0.909	0.946	19.959	-43.079	-43.079	0.000	0.000	0.000	0.000
250	A	259	GLU	-1	-1.020	-1.011	22.757	40.242	40.242	0.000	0.000	0.000	0.000
251	A	260	LEU	0	-0.066	-0.029	20.741	-1.160	-1.160	0.000	0.000	0.000	0.000
252	A	261	GLY	0	0.014	0.018	23.485	0.006	0.006	0.000	0.000	0.000	0.000
253	A	262	VAL	0	-0.038	-0.015	18.012	0.552	0.552	0.000	0.000	0.000	0.000
254	A	263	PRO	0	0.024	0.008	16.960	-0.251	-0.251	0.000	0.000	0.000	0.000
255	A	264	ILE	0	-0.042	-0.017	12.610	-0.062	-0.062	0.000	0.000	0.000	0.000
256	A	265	ILE	0	0.015	0.020	13.364	0.097	0.097	0.000	0.000	0.000	0.000
257	A	266	MET	0	-0.043	-0.008	5.421	2.277	2.277	0.000	0.000	0.000	0.000
258	A	267	HIS	0	-0.030	-0.026	10.109	-6.468	-6.468	0.000	0.000	0.000	0.000
259	A	268	ASP	-1	-0.772	-0.900	7.626	110.994	110.994	0.000	0.000	0.000	0.000
260	A	269	TYR	0	-0.058	-0.041	7.531	-2.659	-2.659	0.000	0.000	0.000	0.000
261	A	270	LEU	0	-0.017	0.006	7.889	-5.936	-5.936	0.000	0.000	0.000	0.000
262	A	271	THR	0	-0.037	-0.027	9.919	-4.137	-4.137	0.000	0.000	0.000	0.000
263	A	272	GLY	0	0.016	0.018	12.412	-4.555	-4.555	0.000	0.000	0.000	0.000
264	A	273	GLY	0	0.003	-0.007	13.859	-4.871	-4.871	0.000	0.000	0.000	0.000
265	A	274	PHE	0	0.051	0.002	13.568	0.536	0.536	0.000	0.000	0.000	0.000
266	A	275	THR	0	0.003	0.026	16.754	-0.718	-0.718	0.000	0.000	0.000	0.000
267	A	276	ALA	0	0.036	-0.001	17.559	-1.421	-1.421	0.000	0.000	0.000	0.000
268	A	277	ASN	0	0.025	0.009	13.893	3.221	3.221	0.000	0.000	0.000	0.000
269	A	278	THR	0	0.018	0.016	16.577	0.349	0.349	0.000	0.000	0.000	0.000
270	A	279	SER	0	-0.004	-0.022	19.400	-1.303	-1.303	0.000	0.000	0.000	0.000
271	A	280	LEU	0	-0.007	0.001	15.072	-1.497	-1.497	0.000	0.000	0.000	0.000
272	A	281	ALA	0	0.028	0.010	17.521	-0.516	-0.516	0.000	0.000	0.000	0.000
273	A	282	ILE	0	-0.001	-0.001	19.190	-1.220	-1.220	0.000	0.000	0.000	0.000
274	A	283	TYR	0	0.055	0.030	20.878	-1.177	-1.177	0.000	0.000	0.000	0.000
275	A	284	CYS	0	-0.051	-0.026	18.118	-0.366	-0.366	0.000	0.000	0.000	0.000
276	A	285	ARG	1	0.843	0.908	20.746	-48.621	-48.621	0.000	0.000	0.000	0.000
277	A	286	ASP	-1	-0.944	-0.969	23.415	41.209	41.209	0.000	0.000	0.000	0.000
278	A	287	ASN	0	-0.114	-0.059	23.491	-2.935	-2.935	0.000	0.000	0.000	0.000
279	A	288	GLY	0	-0.023	0.010	23.416	-0.166	-0.166	0.000	0.000	0.000	0.000
280	A	289	LEU	0	-0.017	-0.010	18.038	0.513	0.513	0.000	0.000	0.000	0.000
281	A	290	PHE	0	-0.028	-0.006	15.671	0.105	0.105	0.000	0.000	0.000	0.000
282	A	291	LEU	0	0.011	-0.003	13.184	0.824	0.824	0.000	0.000	0.000	0.000
283	A	292	HIS	0	-0.011	-0.020	5.549	-7.295	-7.295	0.000	0.000	0.000	0.000
284	A	293	ILE	0	0.004	0.004	8.346	-0.494	-0.494	0.000	0.000	0.000	0.000
288	A	297	MET	0	0.001	-0.010	5.971	-12.250	-12.250	0.000	0.000	0.000	0.000
290	A	299	ALA	0	0.009	0.026	6.641	-8.450	-8.450	0.000	0.000	0.000	0.000
291	A	300	VAL	0	-0.052	-0.018	8.286	-8.043	-8.043	0.000	0.000	0.000	0.000
292	A	301	ILE	0	-0.017	-0.013	10.631	-6.430	-6.430	0.000	0.000	0.000	0.000
293	A	302	ASP	-1	-0.800	-0.893	8.115	109.174	109.174	0.000	0.000	0.000	0.000
294	A	303	ARG	1	0.786	0.901	9.279	-95.208	-95.208	0.000	0.000	0.000	0.000
295	A	304	GLN	0	-0.023	-0.025	11.250	-4.812	-4.812	0.000	0.000	0.000	0.000
296	A	305	ARG	1	0.866	0.942	15.018	-53.872	-53.872	0.000	0.000	0.000	0.000
297	A	306	ASN	0	-0.021	-0.026	17.146	0.407	0.407	0.000	0.000	0.000	0.000
298	A	307	HIS	0	-0.001	-0.007	18.233	-3.562	-3.562	0.000	0.000	0.000	0.000
299	A	308	GLY	0	0.054	0.044	15.812	2.951	2.951	0.000	0.000	0.000	0.000
300	A	309	ILE	0	-0.034	-0.026	14.182	-3.880	-3.880	0.000	0.000	0.000	0.000
301	A	310	HIS	0	0.015	0.017	12.063	4.346	4.346	0.000	0.000	0.000	0.000
302	A	311	PHE	0	0.075	0.016	6.895	1.623	1.623	0.000	0.000	0.000	0.000
303	A	312	ARG	1	0.906	0.943	10.520	-64.696	-64.696	0.000	0.000	0.000	0.000
304	A	313	VAL	0	-0.027	0.005	13.025	-2.390	-2.390	0.000	0.000	0.000	0.000
305	A	314	LEU	0	-0.009	-0.008	9.536	-1.799	-1.799	0.000	0.000	0.000	0.000
306	A	315	ALA	0	0.014	0.023	10.198	0.824	0.824	0.000	0.000	0.000	0.000
307	A	316	LYS	1	0.826	0.921	11.481	-57.986	-57.986	0.000	0.000	0.000	0.000
308	A	317	ALA	0	0.023	0.007	14.182	-2.535	-2.535	0.000	0.000	0.000	0.000
309	A	318	LEU	0	0.008	0.005	10.481	-2.297	-2.297	0.000	0.000	0.000	0.000
310	A	319	ARG	1	0.761	0.890	13.391	-60.550	-60.550	0.000	0.000	0.000	0.000
311	A	320	MET	0	-0.016	-0.013	15.644	-2.340	-2.340	0.000	0.000	0.000	0.000
312	A	321	SER	0	-0.061	-0.023	15.597	-0.894	-0.894	0.000	0.000	0.000	0.000
313	A	322	GLY	0	0.039	0.003	16.183	-2.494	-2.494	0.000	0.000	0.000	0.000
314	A	323	GLY	0	0.026	-0.015	13.387	2.807	2.807	0.000	0.000	0.000	0.000
315	A	324	ASP	-1	-0.722	-0.853	14.395	61.732	61.732	0.000	0.000	0.000	0.000
316	A	325	HIS	1	0.746	0.858	9.502	-88.102	-88.102	0.000	0.000	0.000	0.000
317	A	326	LEU	0	0.040	0.019	7.091	-1.443	-1.443	0.000	0.000	0.000	0.000
322	A	331	VAL	0	0.030	0.049	7.140	-11.702	-11.702	0.000	0.000	0.000	0.000
323	A	332	VAL	0	-0.022	-0.029	9.229	-3.540	-3.540	0.000	0.000	0.000	0.000
324	A	333	GLY	0	0.009	0.017	7.086	-3.811	-3.811	0.000	0.000	0.000	0.000
328	A	337	GLY	0	0.028	0.003	5.892	12.750	12.750	0.000	0.000	0.000	0.000
329	A	338	GLU	-1	-0.833	-0.914	8.151	67.858	67.858	0.000	0.000	0.000	0.000
330	A	339	ARG	1	0.904	0.941	11.749	-63.953	-63.953	0.000	0.000	0.000	0.000
331	A	340	GLU	-1	-0.850	-0.920	13.516	60.973	60.973	0.000	0.000	0.000	0.000
332	A	341	VAL	0	-0.034	-0.019	11.348	-1.013	-1.013	0.000	0.000	0.000	0.000
333	A	342	THR	0	-0.049	-0.038	9.147	3.963	3.963	0.000	0.000	0.000	0.000
334	A	343	LEU	0	-0.023	-0.016	11.356	0.410	0.410	0.000	0.000	0.000	0.000
335	A	344	GLY	0	0.053	0.041	14.541	-2.348	-2.348	0.000	0.000	0.000	0.000
336	A	345	PHE	0	-0.023	-0.024	7.956	-1.660	-1.660	0.000	0.000	0.000	0.000
337	A	346	VAL	0	0.007	-0.004	10.644	1.562	1.562	0.000	0.000	0.000	0.000
338	A	347	ASP	-1	-0.862	-0.919	13.016	59.676	59.676	0.000	0.000	0.000	0.000
339	A	348	LEU	0	-0.089	-0.043	15.376	-2.115	-2.115	0.000	0.000	0.000	0.000
340	A	349	MET	0	-0.057	-0.010	9.280	0.981	0.981	0.000	0.000	0.000	0.000
341	A	350	ARG	1	0.822	0.906	14.075	-72.467	-72.467	0.000	0.000	0.000	0.000
342	A	351	ASP	-1	-0.858	-0.914	16.523	54.226	54.226	0.000	0.000	0.000	0.000
343	A	352	ASP	-1	-0.906	-0.954	20.022	45.227	45.227	0.000	0.000	0.000	0.000
344	A	353	TYR	0	-0.013	-0.012	23.165	-1.071	-1.071	0.000	0.000	0.000	0.000
345	A	354	VAL	0	0.018	0.022	19.535	0.539	0.539	0.000	0.000	0.000	0.000
346	A	355	GLU	-1	-0.933	-0.970	22.951	39.154	39.154	0.000	0.000	0.000	0.000
347	A	356	LYS	1	0.925	0.959	23.675	-39.044	-39.044	0.000	0.000	0.000	0.000
348	A	357	ASP	-1	-0.789	-0.892	21.953	48.262	48.262	0.000	0.000	0.000	0.000
349	A	358	ARG	1	0.860	0.916	21.522	-43.437	-43.437	0.000	0.000	0.000	0.000
350	A	359	SER	0	-0.100	-0.043	21.458	1.453	1.453	0.000	0.000	0.000	0.000
351	A	360	ARG	1	0.983	0.981	17.580	-55.755	-55.755	0.000	0.000	0.000	0.000
352	A	361	GLY	0	-0.050	-0.032	17.100	3.099	3.099	0.000	0.000	0.000	0.000
353	A	362	ILE	0	-0.023	0.007	18.373	0.961	0.961	0.000	0.000	0.000	0.000
354	A	363	TYR	0	-0.049	-0.045	19.504	-3.095	-3.095	0.000	0.000	0.000	0.000
355	A	364	PHE	0	-0.060	-0.035	22.472	-2.678	-2.678	0.000	0.000	0.000	0.000
356	A	365	THR	0	0.045	0.026	23.203	1.770	1.770	0.000	0.000	0.000	0.000
357	A	366	GLN	0	-0.049	-0.021	20.267	-0.046	-0.046	0.000	0.000	0.000	0.000
358	A	367	ASP	-1	-0.826	-0.920	23.508	41.833	41.833	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.041	-0.037	17.621	-0.009	-0.009	0.000	0.000	0.000	0.000
360	A	369	SMC	0	-0.043	-0.012	23.549	-0.475	-0.475	0.000	0.000	0.000	0.000
361	A	370	SER	0	-0.030	-0.030	25.598	-1.376	-1.376	0.000	0.000	0.000	0.000
362	A	371	MET	0	-0.062	0.000	20.528	0.935	0.935	0.000	0.000	0.000	0.000
363	A	372	PRO	0	0.031	0.021	19.925	1.079	1.079	0.000	0.000	0.000	0.000
364	A	373	GLY	0	0.056	0.038	17.688	1.170	1.170	0.000	0.000	0.000	0.000
365	A	374	VAL	0	-0.046	-0.032	11.658	0.090	0.090	0.000	0.000	0.000	0.000
366	A	375	MET	0	0.015	0.005	11.524	0.632	0.632	0.000	0.000	0.000	0.000
367	A	376	PRO	0	0.002	0.005	8.896	6.207	6.207	0.000	0.000	0.000	0.000
368	A	377	VAL	0	-0.019	-0.009	5.230	-5.028	-5.028	0.000	0.000	0.000	0.000
374	A	383	HIS	0	0.005	-0.029	5.767	6.913	6.913	0.000	0.000	0.000	0.000
375	A	384	VAL	0	0.061	0.022	8.510	-4.213	-4.213	0.000	0.000	0.000	0.000
376	A	385	TRP	0	-0.073	-0.036	11.798	-6.963	-6.963	0.000	0.000	0.000	0.000
377	A	386	HIS	0	0.031	0.021	8.956	1.058	1.058	0.000	0.000	0.000	0.000
378	A	387	MET	0	-0.032	0.010	10.937	0.326	0.326	0.000	0.000	0.000	0.000
379	A	388	PRO	0	0.011	-0.002	13.369	-1.045	-1.045	0.000	0.000	0.000	0.000
380	A	389	ALA	0	0.021	0.005	14.681	-1.569	-1.569	0.000	0.000	0.000	0.000
381	A	390	LEU	0	0.002	0.011	9.501	0.547	0.547	0.000	0.000	0.000	0.000
382	A	391	VAL	0	0.016	-0.003	13.349	-0.515	-0.515	0.000	0.000	0.000	0.000
383	A	392	GLU	-1	-0.920	-0.950	16.088	61.111	61.111	0.000	0.000	0.000	0.000
384	A	393	ILE	0	-0.033	-0.005	12.183	-1.713	-1.713	0.000	0.000	0.000	0.000
385	A	394	PHE	0	-0.033	-0.017	8.571	-0.018	-0.018	0.000	0.000	0.000	0.000
386	A	395	GLY	0	0.031	0.030	13.893	-3.141	-3.141	0.000	0.000	0.000	0.000
387	A	396	ASP	-1	-0.826	-0.923	15.572	63.333	63.333	0.000	0.000	0.000	0.000
388	A	397	ASP	-1	-0.912	-0.949	15.782	63.079	63.079	0.000	0.000	0.000	0.000
389	A	398	ALA	0	0.039	0.007	10.749	2.419	2.419	0.000	0.000	0.000	0.000
390	A	399	CYS	0	-0.064	-0.012	9.494	-3.333	-3.333	0.000	0.000	0.000	0.000
391	A	400	LEU	0	0.003	-0.001	8.710	9.441	9.441	0.000	0.000	0.000	0.000
397	A	406	THR	0	-0.064	-0.044	6.127	-21.008	-21.008	0.000	0.000	0.000	0.000
398	A	407	LEU	0	-0.018	-0.027	6.365	-12.426	-12.426	0.000	0.000	0.000	0.000
399	A	408	GLY	0	0.037	0.018	7.481	-6.262	-6.262	0.000	0.000	0.000	0.000
400	A	409	HIS	0	-0.029	0.002	8.603	-5.606	-5.606	0.000	0.000	0.000	0.000
401	A	410	PRO	0	0.000	-0.014	11.608	-2.007	-2.007	0.000	0.000	0.000	0.000
402	A	411	TRP	0	-0.027	-0.038	14.838	-3.284	-3.284	0.000	0.000	0.000	0.000
403	A	412	GLY	0	0.029	0.030	13.640	-2.903	-2.903	0.000	0.000	0.000	0.000
404	A	413	ASN	0	0.017	0.004	11.268	3.451	3.451	0.000	0.000	0.000	0.000
405	A	414	ALA	0	0.047	0.047	12.846	2.079	2.079	0.000	0.000	0.000	0.000
406	A	415	PRO	0	-0.006	-0.021	15.368	0.021	0.021	0.000	0.000	0.000	0.000
407	A	416	GLY	0	0.036	0.016	11.542	0.070	0.070	0.000	0.000	0.000	0.000
408	A	417	ALA	0	-0.023	-0.003	11.370	3.320	3.320	0.000	0.000	0.000	0.000
409	A	418	ALA	0	0.013	0.016	12.316	0.057	0.057	0.000	0.000	0.000	0.000
410	A	419	ALA	0	-0.027	-0.007	13.171	-1.657	-1.657	0.000	0.000	0.000	0.000
411	A	420	ASN	0	0.010	-0.008	8.509	-1.438	-1.438	0.000	0.000	0.000	0.000
412	A	421	ARG	1	0.758	0.865	12.092	-62.372	-62.372	0.000	0.000	0.000	0.000
413	A	422	VAL	0	-0.034	-0.014	14.843	-2.576	-2.576	0.000	0.000	0.000	0.000
414	A	423	ALA	0	0.002	0.001	13.861	-2.033	-2.033	0.000	0.000	0.000	0.000
415	A	424	LEU	0	0.025	0.004	13.779	-1.776	-1.776	0.000	0.000	0.000	0.000
416	A	425	GLU	-1	-0.746	-0.879	15.659	53.500	53.500	0.000	0.000	0.000	0.000
417	A	426	ALA	0	0.020	0.015	19.064	-2.723	-2.723	0.000	0.000	0.000	0.000
418	A	427	CYS	0	-0.058	-0.027	17.571	-1.735	-1.735	0.000	0.000	0.000	0.000
419	A	428	THR	0	-0.003	0.000	18.524	-1.360	-1.360	0.000	0.000	0.000	0.000
420	A	429	GLN	0	-0.008	-0.007	20.907	-1.138	-1.138	0.000	0.000	0.000	0.000
421	A	430	ALA	0	0.000	0.003	22.979	-1.772	-1.772	0.000	0.000	0.000	0.000
422	A	431	ARG	1	0.823	0.896	19.881	-57.760	-57.760	0.000	0.000	0.000	0.000
423	A	432	ASN	0	-0.013	-0.011	24.509	-0.159	-0.159	0.000	0.000	0.000	0.000
424	A	433	GLU	-1	-0.962	-0.985	26.821	41.007	41.007	0.000	0.000	0.000	0.000
425	A	434	GLY	0	-0.015	0.003	28.161	-1.587	-1.587	0.000	0.000	0.000	0.000
426	A	435	ARG	1	0.845	0.934	25.886	-45.764	-45.764	0.000	0.000	0.000	0.000
427	A	436	ASP	-1	-0.823	-0.912	24.808	51.167	51.167	0.000	0.000	0.000	0.000
428	A	437	LEU	0	-0.009	-0.018	19.475	0.470	0.470	0.000	0.000	0.000	0.000
429	A	438	ALA	0	0.009	0.009	21.353	1.979	1.979	0.000	0.000	0.000	0.000
430	A	439	ARG	1	0.863	0.939	22.356	-47.905	-47.905	0.000	0.000	0.000	0.000
431	A	440	GLU	-1	-0.840	-0.933	24.701	43.832	43.832	0.000	0.000	0.000	0.000
432	A	441	GLY	0	0.047	0.029	20.370	0.160	0.160	0.000	0.000	0.000	0.000
433	A	442	GLY	0	-0.007	-0.020	20.296	1.167	1.167	0.000	0.000	0.000	0.000
434	A	443	ASP	-1	-0.869	-0.935	21.286	46.259	46.259	0.000	0.000	0.000	0.000
435	A	444	VAL	0	-0.026	0.001	20.595	-1.036	-1.036	0.000	0.000	0.000	0.000
436	A	445	ILE	0	0.048	0.021	16.285	-0.697	-0.697	0.000	0.000	0.000	0.000
437	A	446	ARG	1	0.899	0.932	19.568	-52.007	-52.007	0.000	0.000	0.000	0.000
438	A	447	SER	0	-0.082	-0.039	22.267	-1.968	-1.968	0.000	0.000	0.000	0.000
439	A	448	ALA	0	0.041	0.026	19.804	-1.285	-1.285	0.000	0.000	0.000	0.000
440	A	449	CYS	0	-0.133	-0.076	14.199	2.656	2.656	0.000	0.000	0.000	0.000
441	A	450	LYS	1	0.903	0.951	20.915	-45.526	-45.526	0.000	0.000	0.000	0.000
442	A	451	TRP	0	-0.020	0.008	21.806	-1.123	-1.123	0.000	0.000	0.000	0.000
443	A	452	SER	0	0.007	0.015	19.949	0.039	0.039	0.000	0.000	0.000	0.000
444	A	453	PRO	0	0.034	0.008	20.813	1.610	1.610	0.000	0.000	0.000	0.000
445	A	454	GLU	-1	-0.805	-0.904	16.939	54.258	54.258	0.000	0.000	0.000	0.000
446	A	455	LEU	0	0.028	0.009	15.196	3.486	3.486	0.000	0.000	0.000	0.000
447	A	456	ALA	0	-0.010	-0.007	16.757	2.438	2.438	0.000	0.000	0.000	0.000
448	A	457	ALA	0	-0.006	0.000	17.262	0.753	0.753	0.000	0.000	0.000	0.000
449	A	458	ALA	0	0.011	0.006	12.608	1.955	1.955	0.000	0.000	0.000	0.000
450	A	460	GLU	-1	-0.939	-0.976	16.280	54.662	54.662	0.000	0.000	0.000	0.000
451	A	461	VAL	0	-0.025	0.006	12.437	-0.195	-0.195	0.000	0.000	0.000	0.000
452	A	462	TRP	0	-0.024	-0.024	8.680	1.822	1.822	0.000	0.000	0.000	0.000
453	A	463	LYS	1	0.927	0.975	13.017	-52.197	-52.197	0.000	0.000	0.000	0.000
454	A	464	GLU	-1	-0.933	-0.974	15.936	58.407	58.407	0.000	0.000	0.000	0.000
455	A	465	ILE	0	-0.071	-0.011	9.487	0.765	0.765	0.000	0.000	0.000	0.000
456	A	466	LYS	1	0.987	0.987	12.024	-63.759	-63.759	0.000	0.000	0.000	0.000
457	A	467	PHE	0	-0.003	0.002	7.228	1.401	1.401	0.000	0.000	0.000	0.000
458	A	468	GLU	-1	-0.962	-0.980	11.708	71.529	71.529	0.000	0.000	0.000	0.000
459	A	469	PHE	0	0.031	0.006	12.297	-2.277	-2.277	0.000	0.000	0.000	0.000
460	A	470	ASP	-1	-0.863	-0.933	14.898	61.401	61.401	0.000	0.000	0.000	0.000
461	A	471	THR	0	-0.038	-0.015	12.181	2.908	2.908	0.000	0.000	0.000	0.000
462	A	472	ILE	0	-0.015	-0.021	12.764	-5.025	-5.025	0.000	0.000	0.000	0.000
463	A	473	ASP	-1	-0.822	-0.891	11.376	73.528	73.528	0.000	0.000	0.000	0.000
464	A	474	LYS	1	0.873	0.946	13.410	-59.041	-59.041	0.000	0.000	0.000	0.000
465	A	475	LEU	0	0.022	0.016	16.260	-3.438	-3.438	0.000	0.000	0.000	0.000
466	I	1	MET	0	0.002	0.003	19.235	0.619	0.619	0.000	0.000	0.000	0.000
467	I	2	MET	0	-0.081	-0.029	21.101	-2.092	-2.092	0.000	0.000	0.000	0.000
468	I	3	VAL	0	0.024	-0.002	20.691	2.365	2.365	0.000	0.000	0.000	0.000
469	I	4	TRP	0	0.073	0.040	19.314	-1.797	-1.797	0.000	0.000	0.000	0.000
470	I	5	THR	0	0.001	0.005	21.441	-0.050	-0.050	0.000	0.000	0.000	0.000
471	I	6	PRO	0	0.025	0.019	23.628	0.741	0.741	0.000	0.000	0.000	0.000
472	I	7	VAL	0	-0.044	-0.022	24.698	-0.870	-0.870	0.000	0.000	0.000	0.000
473	I	8	ASN	0	-0.054	-0.031	28.335	0.102	0.102	0.000	0.000	0.000	0.000
474	I	9	ASN	0	0.033	0.005	23.227	-1.667	-1.667	0.000	0.000	0.000	0.000
475	I	10	LYS	1	0.920	0.984	24.507	-40.254	-40.254	0.000	0.000	0.000	0.000
476	I	11	MET	0	-0.098	-0.033	21.480	-0.962	-0.962	0.000	0.000	0.000	0.000
477	I	12	PHE	0	-0.025	-0.045	24.324	-1.100	-1.100	0.000	0.000	0.000	0.000
478	I	13	GLU	-1	-0.754	-0.863	20.715	56.505	56.505	0.000	0.000	0.000	0.000
479	I	14	THR	0	-0.032	-0.021	21.514	1.108	1.108	0.000	0.000	0.000	0.000
480	I	15	PHE	0	-0.010	0.002	21.778	-2.288	-2.288	0.000	0.000	0.000	0.000
481	I	16	SER	0	-0.067	-0.034	22.864	-1.325	-1.325	0.000	0.000	0.000	0.000
482	I	17	TYR	0	0.015	-0.017	18.538	-0.345	-0.345	0.000	0.000	0.000	0.000
483	I	18	LEU	0	-0.035	-0.011	21.202	0.601	0.601	0.000	0.000	0.000	0.000
484	I	19	PRO	0	-0.059	-0.041	23.842	-1.150	-1.150	0.000	0.000	0.000	0.000
485	I	20	PRO	0	-0.029	-0.020	27.447	0.331	0.331	0.000	0.000	0.000	0.000
486	I	21	LEU	0	0.014	0.021	27.433	-0.400	-0.400	0.000	0.000	0.000	0.000
487	I	22	THR	0	0.009	0.005	30.945	-1.090	-1.090	0.000	0.000	0.000	0.000
488	I	23	ASP	-1	-0.861	-0.945	34.139	32.287	32.287	0.000	0.000	0.000	0.000
489	I	24	GLU	-1	-0.996	-0.994	35.484	33.725	33.725	0.000	0.000	0.000	0.000
490	I	25	GLN	0	0.057	0.026	29.387	-0.060	-0.060	0.000	0.000	0.000	0.000
491	I	26	ILE	0	-0.012	-0.009	31.781	0.962	0.962	0.000	0.000	0.000	0.000
492	I	27	ALA	0	-0.008	-0.014	33.464	0.324	0.324	0.000	0.000	0.000	0.000
493	I	28	ALA	0	0.065	0.046	31.943	-0.028	-0.028	0.000	0.000	0.000	0.000
494	I	29	GLN	0	0.029	0.011	27.056	1.490	1.490	0.000	0.000	0.000	0.000
495	I	30	VAL	0	-0.040	-0.024	31.194	0.265	0.265	0.000	0.000	0.000	0.000
496	I	31	ASP	-1	-0.905	-0.958	34.445	33.918	33.918	0.000	0.000	0.000	0.000
497	I	32	TYR	0	-0.016	0.004	24.526	-0.048	-0.048	0.000	0.000	0.000	0.000
498	I	33	ILE	0	-0.006	-0.010	30.956	0.355	0.355	0.000	0.000	0.000	0.000
499	I	34	VAL	0	-0.040	-0.018	32.017	-0.283	-0.283	0.000	0.000	0.000	0.000
500	I	35	ALA	0	-0.051	-0.026	32.249	-0.504	-0.504	0.000	0.000	0.000	0.000
501	I	36	ASN	0	-0.063	-0.035	28.196	0.590	0.590	0.000	0.000	0.000	0.000
502	I	37	GLY	0	-0.071	-0.014	31.040	0.157	0.157	0.000	0.000	0.000	0.000
503	I	38	TRP	0	0.017	0.011	25.657	-0.146	-0.146	0.000	0.000	0.000	0.000
504	I	39	ILE	0	-0.038	-0.029	32.049	-1.285	-1.285	0.000	0.000	0.000	0.000
505	I	40	PRO	0	0.026	0.032	33.464	0.865	0.865	0.000	0.000	0.000	0.000
506	I	41	CYS	0	-0.017	-0.009	34.620	-1.379	-1.379	0.000	0.000	0.000	0.000
507	I	42	LEU	0	0.004	0.018	35.064	0.777	0.777	0.000	0.000	0.000	0.000
508	I	43	GLU	-1	-0.855	-0.911	32.616	37.693	37.693	0.000	0.000	0.000	0.000
509	I	44	PHE	0	-0.003	-0.021	35.766	0.304	0.304	0.000	0.000	0.000	0.000
510	I	45	ALA	0	0.045	0.023	35.193	-0.139	-0.139	0.000	0.000	0.000	0.000
511	I	46	GLU	-1	-0.923	-0.956	37.269	29.895	29.895	0.000	0.000	0.000	0.000
512	I	47	ALA	0	0.022	-0.015	36.210	0.795	0.795	0.000	0.000	0.000	0.000
513	I	48	ASP	-1	-0.903	-0.947	35.438	32.134	32.134	0.000	0.000	0.000	0.000
514	I	49	LYS	1	0.871	0.938	35.293	-31.771	-31.771	0.000	0.000	0.000	0.000
515	I	50	ALA	0	-0.024	0.008	32.487	0.692	0.692	0.000	0.000	0.000	0.000
516	I	51	TYR	0	0.016	-0.002	27.447	1.452	1.452	0.000	0.000	0.000	0.000
517	I	52	VAL	0	0.014	0.020	25.117	-0.985	-0.985	0.000	0.000	0.000	0.000
518	I	53	SER	0	-0.089	-0.088	28.298	0.184	0.184	0.000	0.000	0.000	0.000
519	I	54	ASN	0	0.032	-0.003	27.143	1.295	1.295	0.000	0.000	0.000	0.000
520	I	55	GLU	-1	-0.844	-0.866	30.551	35.038	35.038	0.000	0.000	0.000	0.000
521	I	56	SER	0	-0.033	-0.048	33.871	-1.271	-1.271	0.000	0.000	0.000	0.000
522	I	57	ALA	0	0.011	0.001	30.786	-0.466	-0.466	0.000	0.000	0.000	0.000
523	I	58	ILE	0	-0.053	-0.012	32.839	-0.196	-0.196	0.000	0.000	0.000	0.000
524	I	59	ARG	1	0.893	0.941	35.844	-30.837	-30.837	0.000	0.000	0.000	0.000
525	I	60	PHE	0	-0.066	-0.011	30.674	-0.390	-0.390	0.000	0.000	0.000	0.000
526	I	61	GLY	0	0.054	0.033	33.643	-0.518	-0.518	0.000	0.000	0.000	0.000
527	I	62	SER	0	0.004	-0.010	28.508	0.139	0.139	0.000	0.000	0.000	0.000
528	I	63	VAL	0	-0.017	-0.031	27.993	1.014	1.014	0.000	0.000	0.000	0.000
529	I	64	SER	0	0.033	0.020	26.299	-0.114	-0.114	0.000	0.000	0.000	0.000
530	I	65	CYS	0	-0.024	0.019	21.703	0.323	0.323	0.000	0.000	0.000	0.000
531	I	66	LEU	0	-0.033	-0.003	19.655	-0.628	-0.628	0.000	0.000	0.000	0.000
532	I	67	TYR	0	-0.111	-0.056	23.741	-0.973	-0.973	0.000	0.000	0.000	0.000
533	I	68	TYR	0	0.029	-0.006	21.836	1.096	1.096	0.000	0.000	0.000	0.000
534	I	69	ASP	-1	-0.771	-0.848	28.232	35.852	35.852	0.000	0.000	0.000	0.000
535	I	70	ASN	0	-0.022	-0.039	30.178	0.231	0.231	0.000	0.000	0.000	0.000
536	I	71	ARG	1	0.892	0.956	25.519	-44.090	-44.090	0.000	0.000	0.000	0.000
537	I	72	TYR	0	-0.010	0.000	29.791	0.131	0.131	0.000	0.000	0.000	0.000
538	I	73	TRP	0	-0.028	-0.011	31.276	-0.381	-0.381	0.000	0.000	0.000	0.000
539	I	74	THR	0	-0.036	-0.019	35.164	-0.548	-0.548	0.000	0.000	0.000	0.000
540	I	75	MET	0	0.033	0.026	36.872	-0.003	-0.003	0.000	0.000	0.000	0.000
541	I	76	TRP	0	-0.028	-0.024	39.175	-1.168	-1.168	0.000	0.000	0.000	0.000
542	I	77	LYS	1	0.770	0.877	41.266	-27.408	-27.408	0.000	0.000	0.000	0.000
543	I	78	LEU	0	0.029	0.004	40.925	0.126	0.126	0.000	0.000	0.000	0.000
544	I	79	PRO	0	0.028	0.000	36.383	0.018	0.018	0.000	0.000	0.000	0.000
545	I	80	MET	0	-0.031	-0.010	38.139	-0.671	-0.671	0.000	0.000	0.000	0.000
546	I	81	PHE	0	0.033	-0.001	36.549	0.423	0.423	0.000	0.000	0.000	0.000
547	I	82	GLY	0	-0.007	-0.003	38.911	-0.751	-0.751	0.000	0.000	0.000	0.000
548	I	83	CYS	0	-0.069	-0.012	39.291	-0.587	-0.587	0.000	0.000	0.000	0.000
549	I	84	ARG	1	0.986	0.983	36.942	-31.512	-31.512	0.000	0.000	0.000	0.000
550	I	85	ASP	-1	-0.869	-0.947	40.235	28.437	28.437	0.000	0.000	0.000	0.000
551	I	86	PRO	0	0.127	0.060	38.629	-0.121	-0.121	0.000	0.000	0.000	0.000
552	I	87	MET	0	0.000	-0.004	40.109	0.174	0.174	0.000	0.000	0.000	0.000
553	I	88	GLN	0	-0.050	-0.032	42.851	-0.287	-0.287	0.000	0.000	0.000	0.000
554	I	89	VAL	0	0.030	0.020	36.970	-0.231	-0.231	0.000	0.000	0.000	0.000
555	I	90	LEU	0	0.033	0.014	37.892	-0.061	-0.061	0.000	0.000	0.000	0.000
556	I	91	ARG	1	0.931	0.960	40.906	-27.471	-27.471	0.000	0.000	0.000	0.000
557	I	92	GLU	-1	-0.776	-0.868	41.575	27.646	27.646	0.000	0.000	0.000	0.000
558	I	93	ILE	0	0.049	0.040	36.654	-0.058	-0.058	0.000	0.000	0.000	0.000
559	I	94	VAL	0	-0.020	0.014	40.348	-0.286	-0.286	0.000	0.000	0.000	0.000
560	I	95	ALA	0	-0.052	-0.033	43.411	-0.417	-0.417	0.000	0.000	0.000	0.000
561	I	96	CYS	0	-0.037	-0.010	40.671	-0.161	-0.161	0.000	0.000	0.000	0.000
562	I	97	THR	0	0.022	-0.020	39.347	-0.372	-0.372	0.000	0.000	0.000	0.000
563	I	98	LYS	1	0.917	0.968	42.077	-25.392	-25.392	0.000	0.000	0.000	0.000
564	I	99	ALA	0	-0.064	-0.031	45.605	-0.532	-0.532	0.000	0.000	0.000	0.000
565	I	100	PHE	0	-0.017	-0.008	42.184	-0.401	-0.401	0.000	0.000	0.000	0.000
566	I	101	PRO	0	0.025	0.020	41.917	0.772	0.772	0.000	0.000	0.000	0.000
567	I	102	ASP	-1	-0.981	-0.991	41.565	28.301	28.301	0.000	0.000	0.000	0.000
568	I	103	ALA	0	-0.032	-0.011	39.022	0.368	0.368	0.000	0.000	0.000	0.000
569	I	104	TYR	0	0.007	-0.003	32.094	-0.121	-0.121	0.000	0.000	0.000	0.000
570	I	105	VAL	0	0.013	0.004	35.108	-0.408	-0.408	0.000	0.000	0.000	0.000
571	I	106	ARG	1	0.860	0.932	29.722	-39.469	-39.469	0.000	0.000	0.000	0.000
572	I	107	LEU	0	-0.017	0.006	32.025	-1.214	-1.214	0.000	0.000	0.000	0.000
573	I	108	VAL	0	0.030	0.015	30.189	1.425	1.425	0.000	0.000	0.000	0.000
574	I	109	ALA	0	0.013	-0.005	29.715	-1.444	-1.444	0.000	0.000	0.000	0.000
575	I	110	PHE	0	-0.020	-0.008	29.030	1.491	1.491	0.000	0.000	0.000	0.000
576	I	111	ASP	-1	-0.782	-0.893	26.545	42.334	42.334	0.000	0.000	0.000	0.000
577	I	112	ASN	0	-0.036	-0.043	28.856	0.880	0.880	0.000	0.000	0.000	0.000
578	I	113	GLN	0	-0.031	-0.003	28.226	-1.536	-1.536	0.000	0.000	0.000	0.000
579	I	114	LYS	1	0.964	0.987	20.687	-52.814	-52.814	0.000	0.000	0.000	0.000
580	I	115	GLN	0	-0.061	-0.017	25.829	0.656	0.656	0.000	0.000	0.000	0.000
581	I	116	VAL	0	0.032	0.016	23.035	0.690	0.690	0.000	0.000	0.000	0.000
582	I	117	GLN	0	-0.005	-0.005	26.337	-0.425	-0.425	0.000	0.000	0.000	0.000
583	I	118	ILE	0	-0.031	-0.016	23.606	2.081	2.081	0.000	0.000	0.000	0.000
584	I	119	MET	0	0.008	-0.015	24.465	1.465	1.465	0.000	0.000	0.000	0.000
585	I	120	GLY	0	0.040	0.017	26.479	-1.340	-1.340	0.000	0.000	0.000	0.000
586	I	121	PHE	0	-0.012	0.005	26.143	1.543	1.543	0.000	0.000	0.000	0.000
587	I	122	LEU	0	-0.038	-0.015	28.082	-1.575	-1.575	0.000	0.000	0.000	0.000
588	I	123	VAL	0	-0.014	-0.021	30.409	0.144	0.144	0.000	0.000	0.000	0.000
589	I	124	GLN	0	-0.039	-0.021	33.658	-1.296	-1.296	0.000	0.000	0.000	0.000
590	I	125	ARG	1	0.945	0.983	28.692	-38.088	-38.088	0.000	0.000	0.000	0.000
591	I	126	PRO	0	0.057	0.045	35.220	-0.680	-0.680	0.000	0.000	0.000	0.000
592	I	127	LYS	1	1.008	0.992	37.352	-26.763	-26.763	0.000	0.000	0.000	0.000
593	I	128	SER	0	-0.047	-0.030	39.421	0.261	0.261	0.000	0.000	0.000	0.000
594	I	129	ALA	0	0.050	0.042	34.253	-0.044	-0.044	0.000	0.000	0.000	0.000
595	I	130	ARG	1	0.835	0.894	35.287	-31.358	-31.358	0.000	0.000	0.000	0.000
596	I	131	ASP	-1	-0.855	-0.925	30.917	37.497	37.497	0.000	0.000	0.000	0.000
597	I	132	TRP	0	-0.006	0.004	28.765	1.612	1.612	0.000	0.000	0.000	0.000
598	I	133	GLN	0	0.020	-0.007	27.040	-1.729	-1.729	0.000	0.000	0.000	0.000
599	I	134	PRO	0	-0.032	-0.011	28.263	0.648	0.648	0.000	0.000	0.000	0.000
600	I	135	ALA	0	0.079	0.027	25.826	0.682	0.682	0.000	0.000	0.000	0.000
601	I	136	ASN	0	-0.033	-0.016	25.764	0.908	0.908	0.000	0.000	0.000	0.000
602	I	137	LYS	1	0.900	0.956	28.104	-35.991	-35.991	0.000	0.000	0.000	0.000
603	I	138	ARG	1	0.892	0.977	22.741	-47.691	-47.691	0.000	0.000	0.000	0.000
604	I	139	SER	0	-0.018	-0.016	22.211	0.574	0.574	0.000	0.000	0.000	0.000
605	I	140	VAL	0	-0.038	-0.001	24.231	-2.040	-2.040	0.000	0.000	0.000	0.000
606	O	7	THR	0	0.057	0.013	32.762	-0.593	-0.593	0.000	0.000	0.000	0.000
607	O	8	LYS	1	0.911	0.958	29.283	-37.533	-37.533	0.000	0.000	0.000	0.000
608	O	9	ALA	0	0.008	0.007	25.703	0.243	0.243	0.000	0.000	0.000	0.000
609	O	10	GLY	0	0.029	0.017	25.163	-0.269	-0.269	0.000	0.000	0.000	0.000
610	O	11	ALA	0	-0.024	-0.017	19.771	0.274	0.274	0.000	0.000	0.000	0.000
611	O	12	GLY	0	0.033	0.024	19.904	0.068	0.068	0.000	0.000	0.000	0.000
612	O	13	PHE	0	-0.031	-0.008	11.607	0.410	0.410	0.000	0.000	0.000	0.000
613	O	14	LYS	1	0.932	0.963	15.278	-62.402	-62.402	0.000	0.000	0.000	0.000
614	O	15	ALA	0	0.031	0.022	12.370	2.956	2.956	0.000	0.000	0.000	0.000
615	O	16	GLY	0	0.050	0.015	11.264	-4.728	-4.728	0.000	0.000	0.000	0.000
616	O	17	VAL	0	0.000	0.000	9.170	3.104	3.104	0.000	0.000	0.000	0.000
617	O	18	LYS	1	0.879	0.950	11.433	-79.581	-79.581	0.000	0.000	0.000	0.000
618	O	19	ASP	-1	-0.869	-0.927	12.332	71.928	71.928	0.000	0.000	0.000	0.000
619	O	20	TYR	0	-0.040	-0.044	6.778	-4.330	-4.330	0.000	0.000	0.000	0.000
620	O	21	ARG	1	0.954	0.957	13.280	-58.926	-58.926	0.000	0.000	0.000	0.000
621	O	22	LEU	0	-0.059	-0.022	16.166	-3.317	-3.317	0.000	0.000	0.000	0.000
622	O	23	THR	0	-0.068	-0.028	13.930	-3.588	-3.588	0.000	0.000	0.000	0.000
623	O	24	TYR	0	0.031	0.008	10.963	0.558	0.558	0.000	0.000	0.000	0.000
624	O	25	TYR	0	0.024	0.028	16.088	-0.496	-0.496	0.000	0.000	0.000	0.000
625	O	26	THR	0	-0.079	-0.052	19.343	-0.786	-0.786	0.000	0.000	0.000	0.000
626	O	27	PRO	0	0.023	0.014	22.159	-0.361	-0.361	0.000	0.000	0.000	0.000
627	O	28	ASP	-1	-0.883	-0.926	25.334	41.107	41.107	0.000	0.000	0.000	0.000
628	O	29	TYR	0	-0.158	-0.098	23.640	-0.794	-0.794	0.000	0.000	0.000	0.000
629	O	30	VAL	0	0.014	0.013	25.984	-0.389	-0.389	0.000	0.000	0.000	0.000
630	O	31	VAL	0	-0.029	-0.011	24.948	0.658	0.658	0.000	0.000	0.000	0.000
631	O	32	ARG	1	0.947	0.970	25.300	-46.619	-46.619	0.000	0.000	0.000	0.000
632	O	33	ASP	-1	-0.866	-0.940	26.876	39.993	39.993	0.000	0.000	0.000	0.000
633	O	34	THR	0	-0.055	-0.042	25.099	-0.532	-0.532	0.000	0.000	0.000	0.000
634	O	35	ASP	-1	-0.825	-0.890	22.559	52.193	52.193	0.000	0.000	0.000	0.000
635	O	36	ILE	0	0.008	0.009	18.573	-2.003	-2.003	0.000	0.000	0.000	0.000
636	O	37	LEU	0	-0.040	-0.007	20.406	1.776	1.776	0.000	0.000	0.000	0.000
637	O	38	ALA	0	0.023	0.020	17.566	-0.551	-0.551	0.000	0.000	0.000	0.000
638	O	39	ALA	0	0.017	0.021	19.484	-0.299	-0.299	0.000	0.000	0.000	0.000
639	O	40	PHE	0	-0.001	-0.009	13.671	0.518	0.518	0.000	0.000	0.000	0.000
640	O	41	ARG	1	0.835	0.913	18.588	-51.208	-51.208	0.000	0.000	0.000	0.000
641	O	42	MET	0	-0.004	-0.003	16.646	3.933	3.933	0.000	0.000	0.000	0.000
642	O	43	THR	0	0.001	0.002	17.500	-4.423	-4.423	0.000	0.000	0.000	0.000
643	O	44	PRO	0	0.022	0.009	17.081	4.333	4.333	0.000	0.000	0.000	0.000
644	O	45	GLN	0	-0.009	0.004	13.778	-7.776	-7.776	0.000	0.000	0.000	0.000
645	O	46	PRO	0	0.022	0.000	18.003	-1.241	-1.241	0.000	0.000	0.000	0.000
646	O	47	GLY	0	-0.008	-0.004	20.554	1.470	1.470	0.000	0.000	0.000	0.000
647	O	48	VAL	0	-0.036	-0.004	16.118	1.418	1.418	0.000	0.000	0.000	0.000
648	O	49	PRO	0	-0.016	-0.009	18.599	-1.557	-1.557	0.000	0.000	0.000	0.000
649	O	50	PRO	0	0.082	0.031	19.255	3.663	3.663	0.000	0.000	0.000	0.000
650	O	51	GLU	-1	-0.893	-0.954	19.534	54.657	54.657	0.000	0.000	0.000	0.000
651	O	52	GLU	-1	-0.767	-0.885	13.900	79.020	79.020	0.000	0.000	0.000	0.000
652	O	53	CYS	0	-0.013	0.004	15.034	5.737	5.737	0.000	0.000	0.000	0.000
653	O	54	GLY	0	0.048	0.014	14.673	3.985	3.985	0.000	0.000	0.000	0.000
654	O	55	ALA	0	-0.033	-0.013	15.472	2.039	2.039	0.000	0.000	0.000	0.000
655	O	56	ALA	0	0.011	0.008	11.111	3.806	3.806	0.000	0.000	0.000	0.000
656	O	57	VAL	0	0.005	0.009	10.704	7.804	7.804	0.000	0.000	0.000	0.000
657	O	58	ALA	0	0.011	0.012	11.528	3.013	3.013	0.000	0.000	0.000	0.000
658	O	59	ALA	0	-0.003	0.004	9.956	1.060	1.060	0.000	0.000	0.000	0.000
660	O	61	SER	0	-0.018	0.029	7.116	5.156	5.156	0.000	0.000	0.000	0.000
661	O	62	SER	0	-0.020	-0.028	9.818	-7.103	-7.103	0.000	0.000	0.000	0.000
662	O	63	THR	0	-0.029	-0.024	9.830	-0.597	-0.597	0.000	0.000	0.000	0.000
663	O	64	GLY	0	-0.007	0.008	7.951	1.662	1.662	0.000	0.000	0.000	0.000
666	O	67	THR	0	0.007	0.004	5.272	-21.961	-21.961	0.000	0.000	0.000	0.000
667	O	68	THR	0	-0.063	-0.017	6.738	4.060	4.060	0.000	0.000	0.000	0.000
668	O	69	VAL	0	0.038	0.012	5.800	1.261	1.261	0.000	0.000	0.000	0.000
669	O	70	TRP	0	-0.038	-0.035	8.898	-8.739	-8.739	0.000	0.000	0.000	0.000
670	O	71	THR	0	-0.051	-0.073	9.699	-5.481	-5.481	0.000	0.000	0.000	0.000
671	O	72	ASP	-1	-0.848	-0.932	10.629	86.850	86.850	0.000	0.000	0.000	0.000
672	O	73	GLY	0	-0.055	-0.025	12.953	-3.623	-3.623	0.000	0.000	0.000	0.000
673	O	74	LEU	0	-0.084	-0.034	15.347	-3.749	-3.749	0.000	0.000	0.000	0.000
674	O	75	THR	0	-0.048	-0.019	14.373	-3.334	-3.334	0.000	0.000	0.000	0.000
675	O	76	SER	0	-0.008	-0.002	17.355	-1.210	-1.210	0.000	0.000	0.000	0.000
676	O	77	LEU	0	0.078	0.019	11.928	-0.830	-0.830	0.000	0.000	0.000	0.000
677	O	78	ASP	-1	-0.939	-0.961	16.017	55.348	55.348	0.000	0.000	0.000	0.000
678	O	79	ARG	1	0.880	0.955	19.285	-52.449	-52.449	0.000	0.000	0.000	0.000
679	O	80	TYR	0	-0.007	-0.013	15.118	-0.983	-0.983	0.000	0.000	0.000	0.000
680	O	81	LYS	1	0.850	0.939	14.412	-59.932	-59.932	0.000	0.000	0.000	0.000
681	O	82	GLY	0	0.053	0.026	14.515	-3.937	-3.937	0.000	0.000	0.000	0.000
682	O	83	ARG	1	0.839	0.913	16.120	-54.389	-54.389	0.000	0.000	0.000	0.000
683	O	84	CYS	0	-0.018	0.000	17.694	-1.687	-1.687	0.000	0.000	0.000	0.000
684	O	85	TYR	0	0.000	-0.020	19.343	-0.499	-0.499	0.000	0.000	0.000	0.000
685	O	86	ASP	-1	-0.863	-0.933	22.664	42.925	42.925	0.000	0.000	0.000	0.000
686	O	87	ILE	0	-0.053	-0.028	20.893	2.809	2.809	0.000	0.000	0.000	0.000
687	O	88	GLU	-1	-0.814	-0.884	24.253	41.763	41.763	0.000	0.000	0.000	0.000
688	O	89	PRO	0	-0.002	0.005	25.616	1.868	1.868	0.000	0.000	0.000	0.000
689	O	90	VAL	0	-0.001	-0.002	25.065	-0.909	-0.909	0.000	0.000	0.000	0.000
690	O	91	PRO	0	-0.012	-0.005	28.204	-0.477	-0.477	0.000	0.000	0.000	0.000
691	O	92	GLY	0	-0.015	-0.018	31.016	0.028	0.028	0.000	0.000	0.000	0.000
692	O	93	GLU	-1	-0.910	-0.955	26.368	44.570	44.570	0.000	0.000	0.000	0.000
693	O	94	ASP	-1	-0.922	-0.955	27.705	41.524	41.524	0.000	0.000	0.000	0.000
694	O	95	ASN	0	-0.094	-0.058	20.965	0.367	0.367	0.000	0.000	0.000	0.000
695	O	96	GLN	0	0.076	0.036	22.077	1.756	1.756	0.000	0.000	0.000	0.000
696	O	97	TYR	0	0.012	-0.004	21.722	-2.439	-2.439	0.000	0.000	0.000	0.000
697	O	98	ILE	0	-0.033	-0.011	21.682	2.524	2.524	0.000	0.000	0.000	0.000
698	O	99	ALA	0	0.009	0.008	18.533	-1.146	-1.146	0.000	0.000	0.000	0.000
699	O	100	TYR	0	-0.023	-0.016	19.885	1.557	1.557	0.000	0.000	0.000	0.000
700	O	101	VAL	0	0.008	0.000	15.602	0.784	0.784	0.000	0.000	0.000	0.000
701	O	102	ALA	0	-0.013	0.002	18.967	-1.623	-1.623	0.000	0.000	0.000	0.000
702	O	103	TYR	0	-0.023	-0.065	13.319	1.000	1.000	0.000	0.000	0.000	0.000
703	O	104	HYP	0	0.004	0.004	17.359	-2.938	-2.938	0.000	0.000	0.000	0.000
704	O	105	ILE	0	0.039	0.015	18.599	2.349	2.349	0.000	0.000	0.000	0.000
705	O	106	ASP	-1	-0.888	-0.955	18.626	53.803	53.803	0.000	0.000	0.000	0.000
706	O	107	LEU	0	-0.087	-0.045	13.672	1.899	1.899	0.000	0.000	0.000	0.000
707	O	108	PHE	0	-0.023	0.002	14.578	4.345	4.345	0.000	0.000	0.000	0.000
708	O	109	GLU	-1	-0.788	-0.883	16.102	58.471	58.471	0.000	0.000	0.000	0.000
709	O	110	GLU	-1	-0.795	-0.888	17.781	51.526	51.526	0.000	0.000	0.000	0.000
710	O	111	GLY	0	0.031	0.023	21.169	0.264	0.264	0.000	0.000	0.000	0.000
711	O	112	SER	0	-0.013	0.000	16.271	-0.011	-0.011	0.000	0.000	0.000	0.000
712	O	113	VAL	0	0.031	0.012	17.514	2.114	2.114	0.000	0.000	0.000	0.000
713	O	114	THR	0	-0.003	-0.005	13.518	2.122	2.122	0.000	0.000	0.000	0.000
714	O	115	ASN	0	0.010	0.008	12.259	2.220	2.220	0.000	0.000	0.000	0.000
715	O	116	MET	0	-0.005	0.012	12.692	3.531	3.531	0.000	0.000	0.000	0.000
716	O	117	PHE	0	0.009	-0.014	12.642	2.071	2.071	0.000	0.000	0.000	0.000
717	O	118	THR	0	0.001	0.020	7.897	3.572	3.572	0.000	0.000	0.000	0.000
718	O	119	SER	0	0.000	0.006	8.243	11.995	11.995	0.000	0.000	0.000	0.000
719	O	120	ILE	0	-0.030	0.000	9.621	5.220	5.220	0.000	0.000	0.000	0.000
720	O	121	VAL	0	-0.024	-0.033	10.450	-0.046	-0.046	0.000	0.000	0.000	0.000
721	O	122	GLY	0	0.022	0.035	6.584	2.874	2.874	0.000	0.000	0.000	0.000
724	O	125	PHE	0	0.021	0.013	8.368	-3.669	-3.669	0.000	0.000	0.000	0.000
725	O	126	GLY	0	0.035	0.007	5.947	-6.683	-6.683	0.000	0.000	0.000	0.000
726	O	127	PHE	0	-0.022	0.000	5.298	3.827	3.827	0.000	0.000	0.000	0.000
727	O	128	LYS	1	0.840	0.928	8.348	-118.679	-118.679	0.000	0.000	0.000	0.000
728	O	129	ALA	0	-0.010	0.004	10.304	-7.695	-7.695	0.000	0.000	0.000	0.000
729	O	130	LEU	0	-0.031	-0.015	11.386	-6.561	-6.561	0.000	0.000	0.000	0.000
730	O	131	ARG	1	0.838	0.906	12.878	-58.508	-58.508	0.000	0.000	0.000	0.000
731	O	132	ALA	0	-0.004	-0.003	14.646	-0.274	-0.274	0.000	0.000	0.000	0.000
732	O	133	LEU	0	-0.024	-0.010	12.470	-0.589	-0.589	0.000	0.000	0.000	0.000
733	O	134	ARG	1	0.847	0.919	15.389	-51.106	-51.106	0.000	0.000	0.000	0.000
734	O	135	LEU	0	-0.031	0.010	15.498	-1.473	-1.473	0.000	0.000	0.000	0.000
735	O	136	GLU	-1	-0.783	-0.894	17.648	48.496	48.496	0.000	0.000	0.000	0.000
736	O	137	ASP	-1	-0.788	-0.915	20.837	44.297	44.297	0.000	0.000	0.000	0.000
737	O	138	LEU	0	-0.014	-0.018	17.332	2.672	2.672	0.000	0.000	0.000	0.000
738	O	139	ARG	1	0.861	0.951	21.477	-47.633	-47.633	0.000	0.000	0.000	0.000
739	O	140	ILE	0	0.004	-0.019	21.224	1.810	1.810	0.000	0.000	0.000	0.000
740	O	141	PRO	0	0.012	0.026	23.366	-2.067	-2.067	0.000	0.000	0.000	0.000
741	O	142	PRO	0	0.131	0.053	26.468	0.845	0.845	0.000	0.000	0.000	0.000
742	O	143	ALA	0	-0.034	-0.023	26.847	-0.072	-0.072	0.000	0.000	0.000	0.000
743	O	144	TYR	0	0.005	-0.016	18.809	0.613	0.613	0.000	0.000	0.000	0.000
744	O	145	VAL	0	0.046	0.036	24.591	0.465	0.465	0.000	0.000	0.000	0.000
745	O	146	LYS	1	0.926	0.955	26.654	-36.434	-36.434	0.000	0.000	0.000	0.000
746	O	147	THR	0	-0.104	-0.060	23.912	-0.093	-0.093	0.000	0.000	0.000	0.000
747	O	148	PHE	0	-0.017	-0.007	20.559	0.736	0.736	0.000	0.000	0.000	0.000
748	O	149	VAL	0	-0.017	-0.001	26.242	-1.268	-1.268	0.000	0.000	0.000	0.000
749	O	150	GLY	0	0.018	0.017	27.623	-1.334	-1.334	0.000	0.000	0.000	0.000
750	O	151	HYP	0	-0.076	-0.051	28.832	-0.048	-0.048	0.000	0.000	0.000	0.000
751	O	152	PRO	0	-0.007	0.018	30.552	-0.685	-0.685	0.000	0.000	0.000	0.000
752	O	153	HIS	0	-0.055	-0.029	33.373	-1.561	-1.561	0.000	0.000	0.000	0.000
753	O	154	GLY	0	0.042	0.022	35.126	-0.216	-0.216	0.000	0.000	0.000	0.000
754	O	155	ILE	0	-0.020	-0.013	35.930	-0.848	-0.848	0.000	0.000	0.000	0.000
755	O	156	GLN	0	-0.040	-0.007	38.542	-0.318	-0.318	0.000	0.000	0.000	0.000
756	O	157	VAL	0	0.062	0.027	39.446	-0.627	-0.627	0.000	0.000	0.000	0.000
757	O	158	GLU	-1	-0.823	-0.900	38.064	30.619	30.619	0.000	0.000	0.000	0.000
758	O	159	ARG	1	0.836	0.892	40.927	-28.105	-28.105	0.000	0.000	0.000	0.000
759	O	160	ASP	-1	-0.830	-0.906	44.022	25.828	25.828	0.000	0.000	0.000	0.000
760	O	161	LYS	1	0.814	0.922	40.463	-29.730	-29.730	0.000	0.000	0.000	0.000
761	O	162	LEU	0	-0.021	-0.015	41.637	-0.494	-0.494	0.000	0.000	0.000	0.000
762	O	163	ASN	0	-0.033	-0.010	45.893	-0.460	-0.460	0.000	0.000	0.000	0.000
763	O	164	LYS	1	0.755	0.887	45.296	-25.992	-25.992	0.000	0.000	0.000	0.000
764	O	165	TYR	0	-0.023	-0.031	46.706	0.464	0.464	0.000	0.000	0.000	0.000
765	O	166	GLY	0	0.019	0.014	48.297	-0.430	-0.430	0.000	0.000	0.000	0.000
766	O	167	ARG	1	0.794	0.895	46.479	-25.622	-25.622	0.000	0.000	0.000	0.000
767	O	168	GLY	0	0.044	0.043	43.498	0.405	0.405	0.000	0.000	0.000	0.000
768	O	169	LEU	0	-0.014	-0.009	40.597	-0.621	-0.621	0.000	0.000	0.000	0.000
769	O	170	LEU	0	0.003	0.010	42.110	0.409	0.409	0.000	0.000	0.000	0.000
770	O	171	GLY	0	0.047	0.002	39.753	-0.108	-0.108	0.000	0.000	0.000	0.000
771	O	172	CYS	0	-0.050	-0.020	39.674	-0.343	-0.343	0.000	0.000	0.000	0.000
772	O	173	THR	0	0.090	0.032	34.567	-0.157	-0.157	0.000	0.000	0.000	0.000
773	O	174	ILE	0	0.000	-0.004	37.600	-0.687	-0.687	0.000	0.000	0.000	0.000
774	O	175	LYS	1	0.815	0.913	34.751	-32.009	-32.009	0.000	0.000	0.000	0.000
775	O	176	PRO	0	0.052	0.033	38.165	-0.796	-0.796	0.000	0.000	0.000	0.000
776	O	177	LYS	1	0.766	0.891	30.545	-36.333	-36.333	0.000	0.000	0.000	0.000
777	O	178	LEU	0	-0.024	-0.010	30.608	0.130	0.130	0.000	0.000	0.000	0.000
778	O	179	GLY	0	0.056	0.021	35.268	-0.542	-0.542	0.000	0.000	0.000	0.000
779	O	180	LEU	0	-0.036	-0.002	38.234	-0.952	-0.952	0.000	0.000	0.000	0.000
780	O	181	SER	0	0.048	0.019	39.628	0.440	0.440	0.000	0.000	0.000	0.000
781	O	182	ALA	0	0.094	0.034	41.133	-0.079	-0.079	0.000	0.000	0.000	0.000
782	O	183	LYS	1	0.941	0.979	42.139	-23.729	-23.729	0.000	0.000	0.000	0.000
783	O	184	ASN	0	0.001	-0.021	44.405	-0.865	-0.865	0.000	0.000	0.000	0.000
784	O	185	TYR	0	0.088	0.047	36.414	-0.193	-0.193	0.000	0.000	0.000	0.000
785	O	186	GLY	0	0.053	0.028	42.602	-0.007	-0.007	0.000	0.000	0.000	0.000
786	O	187	ARG	1	0.894	0.950	44.970	-24.119	-24.119	0.000	0.000	0.000	0.000
787	O	188	ALA	0	0.002	-0.002	43.755	-0.369	-0.369	0.000	0.000	0.000	0.000
788	O	189	VAL	0	0.060	0.024	41.942	-0.198	-0.198	0.000	0.000	0.000	0.000
789	O	190	TYR	0	-0.069	-0.068	44.679	-0.274	-0.274	0.000	0.000	0.000	0.000
790	O	191	GLU	-1	-0.898	-0.955	48.262	22.543	22.543	0.000	0.000	0.000	0.000
791	O	192	CYS	0	-0.060	-0.025	43.555	-0.315	-0.315	0.000	0.000	0.000	0.000
792	O	193	LEU	0	0.030	0.017	43.783	-0.280	-0.280	0.000	0.000	0.000	0.000
793	O	194	ARG	1	0.742	0.832	47.507	-22.387	-22.387	0.000	0.000	0.000	0.000
794	O	195	GLY	0	-0.022	-0.004	50.304	-0.439	-0.439	0.000	0.000	0.000	0.000
795	O	196	GLY	0	0.010	0.009	50.129	-0.201	-0.201	0.000	0.000	0.000	0.000
796	O	197	LEU	0	-0.025	-0.005	43.857	0.119	0.119	0.000	0.000	0.000	0.000
797	O	198	ASP	-1	-0.732	-0.828	43.598	25.781	25.781	0.000	0.000	0.000	0.000
798	O	199	PHE	0	0.007	-0.002	39.845	0.060	0.060	0.000	0.000	0.000	0.000
799	O	200	THR	0	-0.036	-0.042	40.463	-0.507	-0.507	0.000	0.000	0.000	0.000
800	O	201	KCX	-1	-0.474	-0.767	32.180	36.187	36.187	0.000	0.000	0.000	0.000
801	O	202	ASP	-1	-0.712	-0.841	33.622	31.888	31.888	0.000	0.000	0.000	0.000
802	O	203	ASP	0	0.183	0.045	32.963	0.409	0.409	0.000	0.000	0.000	0.000
803	O	204	GLU	0	0.158	-0.027	27.312	-0.065	-0.065	0.000	0.000	0.000	0.000
804	O	501	merge:O:AS	-1	-1.641	-0.964	27.082	35.734	35.734	0.000	0.000	0.000	0.000
805	O	205	ASN	0	0.003	0.003	27.738	-0.016	-0.016	0.000	0.000	0.000	0.000
806	O	206	VAL	0	-0.051	-0.003	28.804	-0.297	-0.297	0.000	0.000	0.000	0.000
807	O	207	ASN	0	-0.012	-0.003	27.029	1.551	1.551	0.000	0.000	0.000	0.000
808	O	208	SER	0	0.018	0.003	30.533	-1.873	-1.873	0.000	0.000	0.000	0.000
809	O	209	GLN	0	0.017	0.000	30.357	0.325	0.325	0.000	0.000	0.000	0.000
810	O	210	PRO	0	-0.003	-0.003	32.887	-1.028	-1.028	0.000	0.000	0.000	0.000
811	O	211	PHE	0	-0.027	-0.001	33.746	-0.957	-0.957	0.000	0.000	0.000	0.000
812	O	212	MET	0	-0.087	-0.023	36.362	-1.234	-1.234	0.000	0.000	0.000	0.000
813	O	213	ARG	1	0.856	0.938	32.955	-32.403	-32.403	0.000	0.000	0.000	0.000
814	O	214	TRP	0	0.041	0.004	33.728	-0.961	-0.961	0.000	0.000	0.000	0.000
815	O	215	ARG	1	0.971	0.991	36.044	-28.951	-28.951	0.000	0.000	0.000	0.000
816	O	216	ASP	-1	-0.887	-0.943	38.853	27.551	27.551	0.000	0.000	0.000	0.000
817	O	217	ARG	1	0.782	0.861	33.645	-33.599	-33.599	0.000	0.000	0.000	0.000
818	O	218	PHE	0	0.004	-0.007	34.188	-0.623	-0.623	0.000	0.000	0.000	0.000
819	O	219	LEU	0	0.013	0.008	40.157	-0.455	-0.455	0.000	0.000	0.000	0.000
820	O	220	PHE	0	0.004	-0.007	43.712	-0.661	-0.661	0.000	0.000	0.000	0.000
821	O	221	VAL	0	-0.001	-0.001	40.278	-0.538	-0.538	0.000	0.000	0.000	0.000
822	O	222	ALA	0	0.016	0.014	43.401	-0.318	-0.318	0.000	0.000	0.000	0.000
823	O	223	GLU	-1	-0.978	-0.983	44.917	23.161	23.161	0.000	0.000	0.000	0.000
824	O	224	ALA	0	-0.035	-0.021	45.746	-0.523	-0.523	0.000	0.000	0.000	0.000
825	O	225	ILE	0	0.013	0.001	42.092	-0.374	-0.374	0.000	0.000	0.000	0.000
826	O	226	TYR	0	-0.026	-0.018	46.112	-0.473	-0.473	0.000	0.000	0.000	0.000
827	O	227	LYS	1	0.905	0.973	49.832	-22.524	-22.524	0.000	0.000	0.000	0.000
828	O	228	ALA	0	0.031	0.006	48.975	-0.470	-0.470	0.000	0.000	0.000	0.000
829	O	229	GLN	0	0.025	0.030	48.577	0.173	0.173	0.000	0.000	0.000	0.000
830	O	230	ALA	0	-0.018	-0.003	51.368	-0.359	-0.359	0.000	0.000	0.000	0.000
831	O	231	GLU	-1	-0.848	-0.891	54.327	21.539	21.539	0.000	0.000	0.000	0.000
832	O	232	THR	0	-0.010	-0.028	52.101	-0.258	-0.258	0.000	0.000	0.000	0.000
833	O	233	GLY	0	-0.004	0.006	54.586	-0.282	-0.282	0.000	0.000	0.000	0.000
834	O	234	GLU	-1	-0.780	-0.858	50.479	23.523	23.523	0.000	0.000	0.000	0.000
835	O	235	VAL	0	0.029	0.004	46.025	0.052	0.052	0.000	0.000	0.000	0.000
836	O	236	LYS	1	0.826	0.925	45.934	-24.470	-24.470	0.000	0.000	0.000	0.000
837	O	237	GLY	0	0.023	0.000	42.071	0.136	0.136	0.000	0.000	0.000	0.000
838	O	238	HIS	0	-0.019	-0.006	37.635	-0.833	-0.833	0.000	0.000	0.000	0.000
839	O	239	TYR	0	-0.014	-0.011	34.419	-0.085	-0.085	0.000	0.000	0.000	0.000
840	O	240	LEU	0	-0.018	-0.001	35.491	0.239	0.239	0.000	0.000	0.000	0.000
841	O	241	ASN	0	0.020	-0.004	28.998	1.274	1.274	0.000	0.000	0.000	0.000
842	O	242	ALA	0	-0.030	-0.012	29.961	-0.486	-0.486	0.000	0.000	0.000	0.000
843	O	243	THR	0	-0.003	0.009	24.561	1.261	1.261	0.000	0.000	0.000	0.000
844	O	244	ALA	0	0.000	-0.005	25.300	-1.229	-1.229	0.000	0.000	0.000	0.000
845	O	245	GLY	0	0.033	0.019	23.036	1.708	1.708	0.000	0.000	0.000	0.000
846	O	246	THR	0	0.014	0.009	22.128	1.595	1.595	0.000	0.000	0.000	0.000
847	O	248	GLU	-1	-0.819	-0.901	25.010	43.549	43.549	0.000	0.000	0.000	0.000
848	O	249	GLU	-1	-0.831	-0.903	27.525	34.965	34.965	0.000	0.000	0.000	0.000
849	O	250	MET	0	-0.021	0.013	25.364	-0.976	-0.976	0.000	0.000	0.000	0.000
850	O	251	MET	0	-0.006	-0.006	27.465	-1.644	-1.644	0.000	0.000	0.000	0.000
851	O	252	LYS	1	0.854	0.913	30.733	-36.497	-36.497	0.000	0.000	0.000	0.000
852	O	253	ARG	1	0.738	0.859	29.708	-38.833	-38.833	0.000	0.000	0.000	0.000
853	O	254	ALA	0	0.042	0.027	32.062	-0.969	-0.969	0.000	0.000	0.000	0.000
854	O	255	VAL	0	-0.005	0.000	33.994	-0.974	-0.974	0.000	0.000	0.000	0.000
855	O	256	SMC	0	-0.067	-0.020	36.583	-1.012	-1.012	0.000	0.000	0.000	0.000
856	O	257	ALA	0	0.042	0.015	36.883	-0.830	-0.830	0.000	0.000	0.000	0.000
857	O	258	LYS	1	0.911	0.946	38.191	-30.415	-30.415	0.000	0.000	0.000	0.000
858	O	259	GLU	-1	-0.918	-0.973	39.950	27.940	27.940	0.000	0.000	0.000	0.000
859	O	260	LEU	0	-0.107	-0.045	41.005	-0.797	-0.797	0.000	0.000	0.000	0.000
860	O	261	GLY	0	0.020	0.011	43.230	-0.607	-0.607	0.000	0.000	0.000	0.000
861	O	262	VAL	0	-0.045	-0.016	39.865	-0.308	-0.308	0.000	0.000	0.000	0.000
862	O	263	PRO	0	0.049	0.017	41.082	0.523	0.523	0.000	0.000	0.000	0.000
863	O	264	ILE	0	-0.040	-0.016	35.990	0.442	0.442	0.000	0.000	0.000	0.000
864	O	265	ILE	0	0.009	0.017	31.777	-0.304	-0.304	0.000	0.000	0.000	0.000
865	O	266	MET	0	-0.046	-0.010	29.907	-0.336	-0.336	0.000	0.000	0.000	0.000
866	O	267	HIS	0	-0.033	-0.030	22.874	0.310	0.310	0.000	0.000	0.000	0.000
867	O	268	ASP	-1	-0.774	-0.900	23.966	41.844	41.844	0.000	0.000	0.000	0.000
868	O	269	TYR	0	-0.054	-0.038	21.448	1.386	1.386	0.000	0.000	0.000	0.000
869	O	270	LEU	0	-0.026	-0.002	17.849	2.227	2.227	0.000	0.000	0.000	0.000
870	O	271	THR	0	-0.043	-0.024	17.790	2.445	2.445	0.000	0.000	0.000	0.000
871	O	272	GLY	0	0.024	0.018	19.132	1.057	1.057	0.000	0.000	0.000	0.000
872	O	273	GLY	0	-0.005	-0.008	17.856	2.001	2.001	0.000	0.000	0.000	0.000
873	O	274	PHE	0	0.043	-0.006	16.423	-3.348	-3.348	0.000	0.000	0.000	0.000
874	O	275	THR	0	0.002	0.018	17.194	-0.939	-0.939	0.000	0.000	0.000	0.000
875	O	276	ALA	0	0.027	-0.003	19.490	-2.287	-2.287	0.000	0.000	0.000	0.000
876	O	277	ASN	0	0.036	0.008	21.846	-3.055	-3.055	0.000	0.000	0.000	0.000
877	O	278	THR	0	-0.013	0.008	22.227	-1.208	-1.208	0.000	0.000	0.000	0.000
878	O	279	SER	0	0.002	-0.024	23.819	-0.752	-0.752	0.000	0.000	0.000	0.000
879	O	280	LEU	0	-0.002	0.002	25.646	-1.896	-1.896	0.000	0.000	0.000	0.000
880	O	281	ALA	0	0.019	0.012	27.401	-1.778	-1.778	0.000	0.000	0.000	0.000
881	O	282	ILE	0	0.024	0.004	26.058	-1.316	-1.316	0.000	0.000	0.000	0.000
882	O	283	TYR	0	0.038	0.025	29.805	-1.545	-1.545	0.000	0.000	0.000	0.000
883	O	284	CYS	0	-0.045	-0.023	31.822	-1.408	-1.408	0.000	0.000	0.000	0.000
884	O	285	ARG	1	0.837	0.904	32.829	-36.209	-36.209	0.000	0.000	0.000	0.000
885	O	286	ASP	-1	-0.934	-0.964	33.148	33.924	33.924	0.000	0.000	0.000	0.000
886	O	287	ASN	0	-0.104	-0.055	35.180	-1.771	-1.771	0.000	0.000	0.000	0.000
887	O	288	GLY	0	-0.039	0.002	37.720	-0.754	-0.754	0.000	0.000	0.000	0.000
888	O	289	LEU	0	-0.018	-0.013	35.505	-0.583	-0.583	0.000	0.000	0.000	0.000
889	O	290	PHE	0	-0.029	-0.005	35.968	0.519	0.519	0.000	0.000	0.000	0.000
890	O	291	LEU	0	0.008	-0.006	28.453	0.041	0.041	0.000	0.000	0.000	0.000
891	O	292	HIS	0	-0.012	-0.019	31.402	-0.126	-0.126	0.000	0.000	0.000	0.000
892	O	293	ILE	0	0.001	0.002	25.812	0.628	0.628	0.000	0.000	0.000	0.000
893	O	294	HIS	0	0.097	0.029	27.033	0.505	0.505	0.000	0.000	0.000	0.000
894	O	295	ARG	1	0.774	0.851	24.086	-39.537	-39.537	0.000	0.000	0.000	0.000
895	O	296	ALA	0	0.021	0.006	23.334	1.367	1.367	0.000	0.000	0.000	0.000
896	O	297	MET	0	-0.003	-0.014	14.935	1.671	1.671	0.000	0.000	0.000	0.000
897	O	298	HIS	1	0.849	0.903	19.398	-43.637	-43.637	0.000	0.000	0.000	0.000
898	O	299	ALA	0	0.014	0.029	20.078	1.653	1.653	0.000	0.000	0.000	0.000
899	O	300	VAL	0	-0.029	-0.009	16.011	0.295	0.295	0.000	0.000	0.000	0.000
900	O	301	ILE	0	-0.023	-0.016	14.983	2.793	2.793	0.000	0.000	0.000	0.000
901	O	302	ASP	-1	-0.820	-0.903	17.304	49.494	49.494	0.000	0.000	0.000	0.000
902	O	303	ARG	1	0.797	0.910	20.490	-43.778	-43.778	0.000	0.000	0.000	0.000
903	O	304	GLN	0	-0.033	-0.032	19.970	-2.316	-2.316	0.000	0.000	0.000	0.000
904	O	305	ARG	1	0.867	0.939	21.162	-41.866	-41.866	0.000	0.000	0.000	0.000
905	O	306	ASN	0	-0.013	-0.024	19.309	0.474	0.474	0.000	0.000	0.000	0.000
906	O	307	HIS	0	-0.019	-0.013	12.083	-0.506	-0.506	0.000	0.000	0.000	0.000
907	O	308	GLY	0	0.058	0.041	15.212	-1.921	-1.921	0.000	0.000	0.000	0.000
908	O	309	ILE	0	-0.033	-0.025	13.870	1.982	1.982	0.000	0.000	0.000	0.000
909	O	310	HIS	0	0.021	0.019	17.765	-1.082	-1.082	0.000	0.000	0.000	0.000
910	O	311	PHE	0	0.073	0.020	21.320	0.978	0.978	0.000	0.000	0.000	0.000
911	O	312	ARG	1	0.908	0.946	23.271	-46.021	-46.021	0.000	0.000	0.000	0.000
912	O	313	VAL	0	-0.026	0.000	18.284	-0.544	-0.544	0.000	0.000	0.000	0.000
913	O	314	LEU	0	-0.022	-0.011	17.727	0.596	0.596	0.000	0.000	0.000	0.000
914	O	315	ALA	0	0.005	0.017	21.235	-0.474	-0.474	0.000	0.000	0.000	0.000
915	O	316	LYS	1	0.841	0.916	22.932	-46.834	-46.834	0.000	0.000	0.000	0.000
916	O	317	ALA	0	0.026	0.009	19.678	-0.500	-0.500	0.000	0.000	0.000	0.000
917	O	318	LEU	0	-0.007	0.006	21.612	-0.079	-0.079	0.000	0.000	0.000	0.000
918	O	319	ARG	1	0.774	0.892	24.136	-38.555	-38.555	0.000	0.000	0.000	0.000
919	O	320	MET	0	-0.017	-0.017	21.058	-0.806	-0.806	0.000	0.000	0.000	0.000
920	O	321	SER	0	-0.050	-0.013	21.965	-1.148	-1.148	0.000	0.000	0.000	0.000
921	O	322	GLY	0	0.050	0.015	23.905	-0.676	-0.676	0.000	0.000	0.000	0.000
922	O	323	GLY	0	0.033	-0.012	27.283	0.787	0.787	0.000	0.000	0.000	0.000
923	O	324	ASP	-1	-0.725	-0.854	29.625	33.966	33.966	0.000	0.000	0.000	0.000
924	O	325	HIS	1	0.757	0.865	32.275	-33.577	-33.577	0.000	0.000	0.000	0.000
925	O	326	LEU	0	0.031	0.013	26.082	1.162	1.162	0.000	0.000	0.000	0.000
926	O	327	HIS	0	-0.025	-0.005	28.802	-1.187	-1.187	0.000	0.000	0.000	0.000
927	O	328	SER	0	0.019	-0.006	28.846	1.181	1.181	0.000	0.000	0.000	0.000
928	O	329	GLY	0	0.031	0.021	30.889	0.361	0.361	0.000	0.000	0.000	0.000
929	O	330	THR	0	0.022	0.006	31.848	-0.750	-0.750	0.000	0.000	0.000	0.000
930	O	331	VAL	0	0.025	0.045	34.169	-1.044	-1.044	0.000	0.000	0.000	0.000
931	O	332	VAL	0	-0.022	-0.034	35.626	0.034	0.034	0.000	0.000	0.000	0.000
932	O	333	GLY	0	-0.002	0.012	36.588	-0.639	-0.639	0.000	0.000	0.000	0.000
933	O	334	LYS	1	0.780	0.874	32.975	-33.372	-33.372	0.000	0.000	0.000	0.000
934	O	335	LEU	0	-0.017	-0.007	28.671	0.611	0.611	0.000	0.000	0.000	0.000
935	O	336	GLU	-1	-0.784	-0.887	28.031	39.683	39.683	0.000	0.000	0.000	0.000
936	O	337	GLY	0	0.033	0.004	29.632	0.904	0.904	0.000	0.000	0.000	0.000
937	O	338	GLU	-1	-0.831	-0.910	30.984	33.894	33.894	0.000	0.000	0.000	0.000
938	O	339	ARG	1	0.905	0.943	33.019	-29.169	-29.169	0.000	0.000	0.000	0.000
939	O	340	GLU	-1	-0.868	-0.936	34.836	31.970	31.970	0.000	0.000	0.000	0.000
940	O	341	VAL	0	-0.043	-0.026	28.544	0.601	0.601	0.000	0.000	0.000	0.000
941	O	342	THR	0	-0.059	-0.043	30.915	0.947	0.947	0.000	0.000	0.000	0.000
942	O	343	LEU	0	-0.020	-0.016	32.392	0.035	0.035	0.000	0.000	0.000	0.000
943	O	344	GLY	0	0.041	0.035	31.864	-0.222	-0.222	0.000	0.000	0.000	0.000
944	O	345	PHE	0	-0.031	-0.025	28.177	0.468	0.468	0.000	0.000	0.000	0.000
945	O	346	VAL	0	0.009	-0.002	30.057	0.351	0.351	0.000	0.000	0.000	0.000
946	O	347	ASP	-1	-0.852	-0.912	33.038	32.845	32.845	0.000	0.000	0.000	0.000
947	O	348	LEU	0	-0.092	-0.046	27.269	0.446	0.446	0.000	0.000	0.000	0.000
948	O	349	MET	0	-0.073	-0.016	29.108	0.735	0.735	0.000	0.000	0.000	0.000
949	O	350	ARG	1	0.851	0.924	30.920	-31.960	-31.960	0.000	0.000	0.000	0.000
950	O	351	ASP	-1	-0.870	-0.920	34.303	31.812	31.812	0.000	0.000	0.000	0.000
951	O	352	ASP	-1	-0.902	-0.959	33.679	34.725	34.725	0.000	0.000	0.000	0.000
952	O	353	TYR	0	-0.008	-0.007	34.033	1.127	1.127	0.000	0.000	0.000	0.000
953	O	354	VAL	0	0.014	0.021	31.871	-0.648	-0.648	0.000	0.000	0.000	0.000
954	O	355	GLU	-1	-0.919	-0.967	32.544	33.906	33.906	0.000	0.000	0.000	0.000
955	O	356	LYS	1	0.919	0.955	30.338	-39.034	-39.034	0.000	0.000	0.000	0.000
956	O	357	ASP	-1	-0.794	-0.887	31.893	32.892	32.892	0.000	0.000	0.000	0.000
957	O	358	ARG	1	0.848	0.913	28.365	-41.964	-41.964	0.000	0.000	0.000	0.000
958	O	359	SER	0	-0.096	-0.047	31.965	0.454	0.454	0.000	0.000	0.000	0.000
959	O	360	ARG	1	1.010	0.995	33.057	-32.595	-32.595	0.000	0.000	0.000	0.000
960	O	361	GLY	0	-0.046	-0.029	28.984	0.770	0.770	0.000	0.000	0.000	0.000
961	O	362	ILE	0	-0.025	0.010	27.607	1.975	1.975	0.000	0.000	0.000	0.000
962	O	363	TYR	0	-0.044	-0.043	25.385	-0.814	-0.814	0.000	0.000	0.000	0.000
963	O	364	PHE	0	-0.046	-0.028	22.522	-0.250	-0.250	0.000	0.000	0.000	0.000
964	O	365	THR	0	0.044	0.023	28.048	-0.202	-0.202	0.000	0.000	0.000	0.000
965	O	366	GLN	0	-0.043	-0.015	26.281	2.925	2.925	0.000	0.000	0.000	0.000
966	O	367	ASP	-1	-0.843	-0.924	29.731	34.719	34.719	0.000	0.000	0.000	0.000
967	O	368	TRP	0	-0.035	-0.035	25.671	2.162	2.162	0.000	0.000	0.000	0.000
968	O	369	SMC	0	-0.046	-0.015	31.233	0.177	0.177	0.000	0.000	0.000	0.000
969	O	370	SER	0	-0.020	-0.022	33.527	-0.311	-0.311	0.000	0.000	0.000	0.000
970	O	371	MET	0	-0.065	0.000	27.166	-0.090	-0.090	0.000	0.000	0.000	0.000
971	O	372	PRO	0	0.029	0.018	32.525	-0.235	-0.235	0.000	0.000	0.000	0.000
972	O	373	GLY	0	0.056	0.039	32.496	1.167	1.167	0.000	0.000	0.000	0.000
973	O	374	VAL	0	-0.034	-0.028	29.484	-0.468	-0.468	0.000	0.000	0.000	0.000
974	O	375	MET	0	0.003	-0.003	32.868	-0.311	-0.311	0.000	0.000	0.000	0.000
975	O	376	PRO	0	-0.004	0.002	33.062	0.724	0.724	0.000	0.000	0.000	0.000
976	O	377	VAL	0	-0.014	-0.008	32.958	-1.201	-1.201	0.000	0.000	0.000	0.000
977	O	378	ALA	0	0.034	0.031	33.330	0.949	0.949	0.000	0.000	0.000	0.000
978	O	379	SER	0	0.000	-0.029	33.452	-1.245	-1.245	0.000	0.000	0.000	0.000
979	O	380	GLY	0	0.074	0.036	33.617	0.909	0.909	0.000	0.000	0.000	0.000
980	O	381	GLY	0	-0.046	-0.034	35.013	0.029	0.029	0.000	0.000	0.000	0.000
981	O	382	ILE	0	-0.049	-0.010	37.753	-0.422	-0.422	0.000	0.000	0.000	0.000
982	O	383	HIS	0	0.016	-0.022	40.295	-0.575	-0.575	0.000	0.000	0.000	0.000
983	O	384	VAL	0	0.058	0.017	44.031	0.070	0.070	0.000	0.000	0.000	0.000
984	O	385	TRP	0	-0.081	-0.043	46.964	-0.398	-0.398	0.000	0.000	0.000	0.000
985	O	386	HIS	0	0.033	0.025	41.730	-0.120	-0.120	0.000	0.000	0.000	0.000
986	O	387	MET	0	-0.026	0.011	44.090	0.524	0.524	0.000	0.000	0.000	0.000
987	O	388	PRO	0	0.010	-0.002	45.477	0.203	0.203	0.000	0.000	0.000	0.000
988	O	389	ALA	0	0.034	0.015	42.880	0.110	0.110	0.000	0.000	0.000	0.000
989	O	390	LEU	0	-0.004	0.005	39.299	0.508	0.508	0.000	0.000	0.000	0.000
990	O	391	VAL	0	0.017	-0.004	41.829	0.436	0.436	0.000	0.000	0.000	0.000
991	O	392	GLU	-1	-0.922	-0.952	43.818	27.867	27.867	0.000	0.000	0.000	0.000
992	O	393	ILE	0	-0.043	-0.009	37.838	0.259	0.259	0.000	0.000	0.000	0.000
993	O	394	PHE	0	-0.020	-0.009	34.993	0.538	0.538	0.000	0.000	0.000	0.000
994	O	395	GLY	0	0.020	0.024	40.090	0.174	0.174	0.000	0.000	0.000	0.000
995	O	396	ASP	-1	-0.815	-0.919	42.814	26.044	26.044	0.000	0.000	0.000	0.000
996	O	397	ASP	-1	-0.906	-0.944	39.614	28.884	28.884	0.000	0.000	0.000	0.000
997	O	398	ALA	0	0.040	0.005	38.132	0.997	0.997	0.000	0.000	0.000	0.000
998	O	399	CYS	0	-0.069	-0.013	37.297	-0.983	-0.983	0.000	0.000	0.000	0.000
999	O	400	LEU	0	0.008	-0.001	37.760	0.726	0.726	0.000	0.000	0.000	0.000
1000	O	401	GLN	0	0.029	0.001	34.649	-0.767	-0.767	0.000	0.000	0.000	0.000
1001	O	402	PHE	0	0.016	0.005	38.891	0.265	0.265	0.000	0.000	0.000	0.000
1002	O	403	GLY	0	0.078	0.039	38.782	-0.532	-0.532	0.000	0.000	0.000	0.000
1003	O	404	GLY	0	0.038	-0.003	39.381	-0.806	-0.806	0.000	0.000	0.000	0.000
1004	O	405	GLY	0	-0.035	-0.013	41.320	-0.671	-0.671	0.000	0.000	0.000	0.000
1005	O	406	THR	0	-0.052	-0.038	43.356	-0.825	-0.825	0.000	0.000	0.000	0.000
1006	O	407	LEU	0	-0.017	-0.028	41.445	-0.644	-0.644	0.000	0.000	0.000	0.000
1007	O	408	GLY	0	0.024	0.014	44.872	-0.208	-0.208	0.000	0.000	0.000	0.000
1008	O	409	HIS	0	-0.034	0.001	45.870	-0.297	-0.297	0.000	0.000	0.000	0.000
1009	O	410	PRO	0	-0.008	-0.015	49.165	-0.062	-0.062	0.000	0.000	0.000	0.000
1010	O	411	TRP	0	-0.030	-0.041	52.160	-0.309	-0.309	0.000	0.000	0.000	0.000
1011	O	412	GLY	0	0.033	0.033	50.327	-0.260	-0.260	0.000	0.000	0.000	0.000
1012	O	413	ASN	0	0.025	-0.001	45.788	0.021	0.021	0.000	0.000	0.000	0.000
1013	O	414	ALA	0	0.038	0.042	48.887	0.142	0.142	0.000	0.000	0.000	0.000
1014	O	415	PRO	0	-0.003	-0.020	51.474	-0.011	-0.011	0.000	0.000	0.000	0.000
1015	O	416	GLY	0	0.061	0.027	48.722	-0.030	-0.030	0.000	0.000	0.000	0.000
1016	O	417	ALA	0	-0.037	-0.011	47.653	0.265	0.265	0.000	0.000	0.000	0.000
1017	O	418	ALA	0	0.010	0.016	48.646	0.113	0.113	0.000	0.000	0.000	0.000
1018	O	419	ALA	0	-0.024	-0.004	50.349	-0.120	-0.120	0.000	0.000	0.000	0.000
1019	O	420	ASN	0	-0.011	-0.012	45.655	-0.008	-0.008	0.000	0.000	0.000	0.000
1020	O	421	ARG	1	0.746	0.852	48.239	-23.714	-23.714	0.000	0.000	0.000	0.000
1021	O	422	VAL	0	-0.002	0.001	49.845	-0.125	-0.125	0.000	0.000	0.000	0.000
1022	O	423	ALA	0	-0.029	-0.016	49.137	-0.124	-0.124	0.000	0.000	0.000	0.000
1023	O	424	LEU	0	0.027	0.007	45.626	-0.004	-0.004	0.000	0.000	0.000	0.000
1024	O	425	GLU	-1	-0.759	-0.887	48.874	22.893	22.893	0.000	0.000	0.000	0.000
1025	O	426	ALA	0	0.036	0.018	51.996	-0.248	-0.248	0.000	0.000	0.000	0.000
1026	O	427	CYS	0	-0.054	-0.025	49.420	-0.151	-0.151	0.000	0.000	0.000	0.000
1027	O	428	THR	0	-0.006	-0.001	49.403	0.147	0.147	0.000	0.000	0.000	0.000
1028	O	429	GLN	0	-0.008	-0.008	51.076	-0.045	-0.045	0.000	0.000	0.000	0.000
1029	O	430	ALA	0	-0.010	-0.002	53.717	-0.210	-0.210	0.000	0.000	0.000	0.000
1030	O	431	ARG	1	0.827	0.901	47.134	-25.262	-25.262	0.000	0.000	0.000	0.000
1031	O	432	ASN	0	-0.012	-0.015	52.347	0.343	0.343	0.000	0.000	0.000	0.000
1032	O	433	GLU	-1	-0.960	-0.980	54.565	20.533	20.533	0.000	0.000	0.000	0.000
1033	O	434	GLY	0	-0.026	-0.004	55.851	-0.362	-0.362	0.000	0.000	0.000	0.000
1034	O	435	ARG	1	0.855	0.940	55.144	-21.392	-21.392	0.000	0.000	0.000	0.000
1035	O	436	ASP	-1	-0.824	-0.912	50.768	24.794	24.794	0.000	0.000	0.000	0.000
1036	O	437	LEU	0	-0.008	-0.022	48.239	-0.118	-0.118	0.000	0.000	0.000	0.000
1037	O	438	ALA	0	0.008	0.006	47.440	0.135	0.135	0.000	0.000	0.000	0.000
1038	O	439	ARG	1	0.861	0.941	48.739	-24.437	-24.437	0.000	0.000	0.000	0.000
1039	O	440	GLU	-1	-0.838	-0.929	52.172	21.461	21.461	0.000	0.000	0.000	0.000
1040	O	441	GLY	0	0.035	0.022	50.419	-0.241	-0.241	0.000	0.000	0.000	0.000
1041	O	442	GLY	0	0.008	-0.013	51.466	-0.078	-0.078	0.000	0.000	0.000	0.000
1042	O	443	ASP	-1	-0.879	-0.941	52.907	21.212	21.212	0.000	0.000	0.000	0.000
1043	O	444	VAL	0	-0.030	-0.002	53.176	-0.390	-0.390	0.000	0.000	0.000	0.000
1044	O	445	ILE	0	0.049	0.023	50.081	-0.267	-0.267	0.000	0.000	0.000	0.000
1045	O	446	ARG	1	0.897	0.936	53.616	-22.358	-22.358	0.000	0.000	0.000	0.000
1046	O	447	SER	0	-0.077	-0.038	56.679	-0.489	-0.489	0.000	0.000	0.000	0.000
1047	O	448	ALA	0	0.026	0.026	54.969	-0.324	-0.324	0.000	0.000	0.000	0.000
1048	O	449	CYS	0	-0.108	-0.072	50.460	0.256	0.256	0.000	0.000	0.000	0.000
1049	O	450	LYS	1	0.904	0.949	57.053	-20.270	-20.270	0.000	0.000	0.000	0.000
1050	O	451	TRP	0	-0.029	0.005	57.647	-0.262	-0.262	0.000	0.000	0.000	0.000
1051	O	452	SER	0	0.000	0.016	56.806	-0.072	-0.072	0.000	0.000	0.000	0.000
1052	O	453	PRO	0	0.043	0.010	57.803	0.235	0.235	0.000	0.000	0.000	0.000
1053	O	454	GLU	-1	-0.815	-0.920	54.217	21.161	21.161	0.000	0.000	0.000	0.000
1054	O	455	LEU	0	0.035	0.008	51.670	0.382	0.382	0.000	0.000	0.000	0.000
1055	O	456	ALA	0	-0.012	-0.005	53.631	0.311	0.311	0.000	0.000	0.000	0.000
1056	O	457	ALA	0	-0.007	0.004	54.625	0.151	0.151	0.000	0.000	0.000	0.000
1057	O	458	ALA	0	0.012	0.003	49.632	0.261	0.261	0.000	0.000	0.000	0.000
1058	O	460	GLU	-1	-0.934	-0.969	51.989	21.674	21.674	0.000	0.000	0.000	0.000
1059	O	461	VAL	0	-0.020	0.004	48.523	0.113	0.113	0.000	0.000	0.000	0.000
1060	O	462	TRP	0	-0.017	-0.021	45.328	0.218	0.218	0.000	0.000	0.000	0.000
1061	O	463	LYS	1	0.922	0.976	47.634	-21.723	-21.723	0.000	0.000	0.000	0.000
1062	O	464	GLU	-1	-0.941	-0.978	48.768	23.563	23.563	0.000	0.000	0.000	0.000
1063	O	465	ILE	0	-0.065	-0.011	42.666	0.425	0.425	0.000	0.000	0.000	0.000
1064	O	466	LYS	1	0.981	0.987	42.626	-25.690	-25.690	0.000	0.000	0.000	0.000
1065	O	467	PHE	0	0.001	0.003	37.054	0.289	0.289	0.000	0.000	0.000	0.000
1066	O	468	GLU	-1	-0.955	-0.977	38.376	28.407	28.407	0.000	0.000	0.000	0.000
1067	O	469	PHE	0	0.028	0.003	34.493	-0.152	-0.152	0.000	0.000	0.000	0.000
1068	O	470	ASP	-1	-0.863	-0.934	32.649	35.918	35.918	0.000	0.000	0.000	0.000
1069	O	471	THR	0	-0.032	-0.010	30.457	0.467	0.467	0.000	0.000	0.000	0.000
1070	O	472	ILE	0	-0.028	-0.025	25.533	-0.173	-0.173	0.000	0.000	0.000	0.000
1071	O	473	ASP	-1	-0.815	-0.889	25.341	46.393	46.393	0.000	0.000	0.000	0.000
1072	O	474	LYS	1	0.877	0.947	27.091	-37.555	-37.555	0.000	0.000	0.000	0.000
1073	O	475	LEU	0	0.016	0.015	28.067	1.616	1.616	0.000	0.000	0.000	0.000
1074	T	1	MET	0	0.019	0.013	56.346	0.122	0.122	0.000	0.000	0.000	0.000
1075	T	2	MET	0	-0.086	-0.033	58.701	-0.274	-0.274	0.000	0.000	0.000	0.000
1076	T	3	VAL	0	0.029	0.006	57.877	0.395	0.395	0.000	0.000	0.000	0.000
1077	T	4	TRP	0	0.062	0.032	55.585	-0.409	-0.409	0.000	0.000	0.000	0.000
1078	T	5	THR	0	0.003	0.003	57.737	0.150	0.150	0.000	0.000	0.000	0.000
1079	T	6	PRO	0	0.028	0.021	57.479	0.140	0.140	0.000	0.000	0.000	0.000
1080	T	7	VAL	0	-0.034	-0.019	58.809	-0.014	-0.014	0.000	0.000	0.000	0.000
1081	T	8	ASN	0	-0.066	-0.036	62.267	0.057	0.057	0.000	0.000	0.000	0.000
1082	T	9	ASN	0	0.025	0.006	58.592	-0.406	-0.406	0.000	0.000	0.000	0.000
1083	T	10	LYS	1	0.918	0.985	57.920	-20.267	-20.267	0.000	0.000	0.000	0.000
1084	T	11	MET	0	-0.076	-0.023	55.105	-0.346	-0.346	0.000	0.000	0.000	0.000
1085	T	12	PHE	0	-0.031	-0.050	56.349	-0.072	-0.072	0.000	0.000	0.000	0.000
1086	T	13	GLU	-1	-0.767	-0.874	50.154	24.426	24.426	0.000	0.000	0.000	0.000
1087	T	14	THR	0	-0.034	-0.012	51.200	-0.158	-0.158	0.000	0.000	0.000	0.000
1088	T	15	PHE	0	-0.017	-0.009	53.196	-0.381	-0.381	0.000	0.000	0.000	0.000
1089	T	16	SER	0	-0.073	-0.036	55.265	-0.435	-0.435	0.000	0.000	0.000	0.000
1090	T	17	TYR	0	0.028	-0.007	53.096	-0.330	-0.330	0.000	0.000	0.000	0.000
1091	T	18	LEU	0	-0.028	-0.007	55.303	-0.109	-0.109	0.000	0.000	0.000	0.000
1092	T	19	PRO	0	-0.056	-0.041	58.435	-0.217	-0.217	0.000	0.000	0.000	0.000
1093	T	20	PRO	0	-0.036	-0.020	61.707	0.147	0.147	0.000	0.000	0.000	0.000
1094	T	21	LEU	0	0.028	0.027	59.435	-0.120	-0.120	0.000	0.000	0.000	0.000
1095	T	22	THR	0	0.002	0.001	63.487	-0.228	-0.228	0.000	0.000	0.000	0.000
1096	T	23	ASP	-1	-0.864	-0.946	65.650	18.088	18.088	0.000	0.000	0.000	0.000
1097	T	24	GLU	-1	-0.995	-0.998	66.230	18.527	18.527	0.000	0.000	0.000	0.000
1098	T	25	GLN	0	0.066	0.032	62.127	0.083	0.083	0.000	0.000	0.000	0.000
1099	T	26	ILE	0	-0.014	-0.006	61.822	0.398	0.398	0.000	0.000	0.000	0.000
1100	T	27	ALA	0	-0.011	-0.011	62.428	0.255	0.255	0.000	0.000	0.000	0.000
1101	T	28	ALA	0	0.077	0.049	60.885	0.164	0.164	0.000	0.000	0.000	0.000
1102	T	29	GLN	0	0.014	0.006	56.440	0.724	0.724	0.000	0.000	0.000	0.000
1103	T	30	VAL	0	-0.046	-0.026	58.271	0.305	0.305	0.000	0.000	0.000	0.000
1104	T	31	ASP	-1	-0.907	-0.959	59.980	19.903	19.903	0.000	0.000	0.000	0.000
1105	T	32	TYR	0	-0.007	0.007	50.370	0.293	0.293	0.000	0.000	0.000	0.000
1106	T	33	ILE	0	-0.013	-0.011	55.481	0.383	0.383	0.000	0.000	0.000	0.000
1107	T	34	VAL	0	-0.044	-0.023	56.128	0.200	0.200	0.000	0.000	0.000	0.000
1108	T	35	ALA	0	-0.052	-0.025	56.445	0.090	0.090	0.000	0.000	0.000	0.000
1109	T	36	ASN	0	-0.065	-0.037	51.392	0.588	0.588	0.000	0.000	0.000	0.000
1110	T	37	GLY	0	-0.047	-0.003	52.569	0.344	0.344	0.000	0.000	0.000	0.000
1111	T	38	TRP	0	0.003	0.005	48.987	-0.014	-0.014	0.000	0.000	0.000	0.000
1112	T	39	ILE	0	-0.048	-0.033	53.198	-0.501	-0.501	0.000	0.000	0.000	0.000
1113	T	40	PRO	0	0.033	0.034	55.986	0.181	0.181	0.000	0.000	0.000	0.000
1114	T	41	CYS	0	-0.021	-0.011	57.646	-0.194	-0.194	0.000	0.000	0.000	0.000
1115	T	42	LEU	0	0.005	0.019	59.446	0.047	0.047	0.000	0.000	0.000	0.000
1116	T	43	GLU	-1	-0.851	-0.917	56.389	22.011	22.011	0.000	0.000	0.000	0.000
1117	T	44	PHE	0	-0.014	-0.022	60.935	-0.138	-0.138	0.000	0.000	0.000	0.000
1118	T	45	ALA	0	0.051	0.025	61.450	0.154	0.154	0.000	0.000	0.000	0.000
1119	T	46	GLU	-1	-0.918	-0.956	63.584	18.358	18.358	0.000	0.000	0.000	0.000
1120	T	47	ALA	0	0.015	-0.018	64.362	0.287	0.287	0.000	0.000	0.000	0.000
1121	T	48	ASP	-1	-0.909	-0.951	63.804	18.859	18.859	0.000	0.000	0.000	0.000
1122	T	49	LYS	1	0.879	0.944	61.247	-19.616	-19.616	0.000	0.000	0.000	0.000
1123	T	50	ALA	0	-0.024	0.010	60.076	0.299	0.299	0.000	0.000	0.000	0.000
1124	T	51	TYR	0	0.015	-0.002	56.973	0.366	0.366	0.000	0.000	0.000	0.000
1125	T	52	VAL	0	0.005	0.013	51.510	-0.104	-0.104	0.000	0.000	0.000	0.000
1126	T	53	SER	0	-0.087	-0.090	54.773	-0.141	-0.141	0.000	0.000	0.000	0.000
1127	T	54	ASN	0	0.034	-0.001	51.883	0.644	0.644	0.000	0.000	0.000	0.000
1128	T	55	GLU	-1	-0.842	-0.863	54.332	21.302	21.302	0.000	0.000	0.000	0.000
1129	T	56	SER	0	-0.034	-0.045	54.635	-0.248	-0.248	0.000	0.000	0.000	0.000
1130	T	57	ALA	0	-0.003	-0.004	51.434	0.129	0.129	0.000	0.000	0.000	0.000
1131	T	58	ILE	0	-0.045	-0.013	52.819	0.184	0.184	0.000	0.000	0.000	0.000
1132	T	59	ARG	1	0.888	0.939	54.639	-21.675	-21.675	0.000	0.000	0.000	0.000
1133	T	60	PHE	0	-0.060	-0.008	49.150	0.186	0.186	0.000	0.000	0.000	0.000
1134	T	61	GLY	0	0.043	0.027	47.785	-0.193	-0.193	0.000	0.000	0.000	0.000
1135	T	62	SER	0	-0.006	-0.005	43.894	-0.440	-0.440	0.000	0.000	0.000	0.000
1136	T	63	VAL	0	-0.041	-0.039	43.244	0.729	0.729	0.000	0.000	0.000	0.000
1137	T	64	SER	0	0.035	0.018	45.064	-0.040	-0.040	0.000	0.000	0.000	0.000
1138	T	65	CYS	0	-0.032	0.018	41.566	-0.202	-0.202	0.000	0.000	0.000	0.000
1139	T	66	LEU	0	-0.024	0.003	40.706	0.026	0.026	0.000	0.000	0.000	0.000
1140	T	67	TYR	0	-0.123	-0.063	44.863	-0.099	-0.099	0.000	0.000	0.000	0.000
1141	T	68	TYR	0	0.033	-0.005	46.236	0.082	0.082	0.000	0.000	0.000	0.000
1142	T	69	ASP	-1	-0.767	-0.846	51.250	22.402	22.402	0.000	0.000	0.000	0.000
1143	T	70	ASN	0	-0.008	-0.030	54.768	-0.023	-0.023	0.000	0.000	0.000	0.000
1144	T	71	ARG	1	0.887	0.958	47.018	-25.129	-25.129	0.000	0.000	0.000	0.000
1145	T	72	TYR	0	-0.004	-0.001	50.872	-0.009	-0.009	0.000	0.000	0.000	0.000
1146	T	73	TRP	0	-0.022	-0.007	55.582	-0.373	-0.373	0.000	0.000	0.000	0.000
1147	T	74	THR	0	-0.032	-0.016	58.894	0.078	0.078	0.000	0.000	0.000	0.000
1148	T	75	MET	0	0.021	0.021	57.583	-0.094	-0.094	0.000	0.000	0.000	0.000
1149	T	76	TRP	0	-0.035	-0.024	61.431	-0.462	-0.462	0.000	0.000	0.000	0.000
1150	T	77	LYS	1	0.792	0.892	63.734	-17.972	-17.972	0.000	0.000	0.000	0.000
1151	T	78	LEU	0	0.028	0.006	60.798	0.191	0.191	0.000	0.000	0.000	0.000
1152	T	79	PRO	0	0.022	0.002	57.198	-0.161	-0.161	0.000	0.000	0.000	0.000
1153	T	80	MET	0	-0.031	-0.007	59.555	-0.163	-0.163	0.000	0.000	0.000	0.000
1154	T	81	PHE	0	0.042	0.002	55.431	0.145	0.145	0.000	0.000	0.000	0.000
1155	T	82	GLY	0	0.000	0.000	58.678	-0.323	-0.323	0.000	0.000	0.000	0.000
1156	T	83	CYS	0	-0.075	-0.016	60.388	-0.316	-0.316	0.000	0.000	0.000	0.000
1157	T	84	ARG	1	0.988	0.984	59.545	-20.324	-20.324	0.000	0.000	0.000	0.000
1158	T	85	ASP	-1	-0.876	-0.952	62.310	18.297	18.297	0.000	0.000	0.000	0.000
1159	T	86	PRO	0	0.131	0.057	63.293	-0.055	-0.055	0.000	0.000	0.000	0.000
1160	T	87	MET	0	0.004	0.000	64.899	-0.076	-0.076	0.000	0.000	0.000	0.000
1161	T	88	GLN	0	-0.045	-0.028	66.285	-0.124	-0.124	0.000	0.000	0.000	0.000
1162	T	89	VAL	0	0.030	0.023	62.129	-0.094	-0.094	0.000	0.000	0.000	0.000
1163	T	90	LEU	0	0.037	0.014	65.216	-0.104	-0.104	0.000	0.000	0.000	0.000
1164	T	91	ARG	1	0.922	0.953	67.665	-17.808	-17.808	0.000	0.000	0.000	0.000
1165	T	92	GLU	-1	-0.786	-0.880	66.245	18.026	18.026	0.000	0.000	0.000	0.000
1166	T	93	ILE	0	0.041	0.034	63.963	-0.048	-0.048	0.000	0.000	0.000	0.000
1167	T	94	VAL	0	-0.003	0.018	67.484	-0.171	-0.171	0.000	0.000	0.000	0.000
1168	T	95	ALA	0	-0.051	-0.032	70.631	-0.196	-0.196	0.000	0.000	0.000	0.000
1169	T	96	CYS	0	-0.041	-0.010	66.775	-0.077	-0.077	0.000	0.000	0.000	0.000
1170	T	97	THR	0	0.021	-0.020	68.195	-0.164	-0.164	0.000	0.000	0.000	0.000
1171	T	98	LYS	1	0.911	0.966	70.347	-16.366	-16.366	0.000	0.000	0.000	0.000
1172	T	99	ALA	0	-0.066	-0.031	71.577	-0.224	-0.224	0.000	0.000	0.000	0.000
1173	T	100	PHE	0	-0.014	-0.008	69.259	-0.096	-0.096	0.000	0.000	0.000	0.000
1174	T	101	PRO	0	0.026	0.021	70.374	0.216	0.216	0.000	0.000	0.000	0.000
1175	T	102	ASP	-1	-0.978	-0.991	71.473	16.931	16.931	0.000	0.000	0.000	0.000
1176	T	103	ALA	0	-0.039	-0.013	66.643	0.144	0.144	0.000	0.000	0.000	0.000
1177	T	104	TYR	0	0.026	0.001	62.577	-0.095	-0.095	0.000	0.000	0.000	0.000
1178	T	105	VAL	0	0.003	-0.001	63.500	0.051	0.051	0.000	0.000	0.000	0.000
1179	T	106	ARG	1	0.845	0.925	55.587	-21.936	-21.936	0.000	0.000	0.000	0.000
1180	T	107	LEU	0	-0.008	0.009	58.962	-0.158	-0.158	0.000	0.000	0.000	0.000
1181	T	108	VAL	0	0.023	0.011	54.587	0.270	0.270	0.000	0.000	0.000	0.000
1182	T	109	ALA	0	0.022	-0.002	54.084	-0.370	-0.370	0.000	0.000	0.000	0.000
1183	T	110	PHE	0	-0.019	-0.008	51.196	0.452	0.452	0.000	0.000	0.000	0.000
1184	T	111	ASP	-1	-0.793	-0.895	46.820	25.738	25.738	0.000	0.000	0.000	0.000
1185	T	112	ASN	0	-0.031	-0.043	48.280	0.323	0.323	0.000	0.000	0.000	0.000
1186	T	113	GLN	0	-0.026	0.003	44.983	-0.222	-0.222	0.000	0.000	0.000	0.000
1187	T	114	LYS	1	0.956	0.985	42.046	-27.583	-27.583	0.000	0.000	0.000	0.000
1188	T	115	GLN	0	-0.066	-0.022	43.690	0.663	0.663	0.000	0.000	0.000	0.000
1189	T	116	VAL	0	0.034	0.015	44.544	0.275	0.275	0.000	0.000	0.000	0.000
1190	T	117	GLN	0	-0.016	-0.007	46.954	-0.545	-0.545	0.000	0.000	0.000	0.000
1191	T	118	ILE	0	-0.021	-0.015	46.551	0.505	0.505	0.000	0.000	0.000	0.000
1192	T	119	MET	0	0.005	-0.016	49.338	-0.056	-0.056	0.000	0.000	0.000	0.000
1193	T	120	GLY	0	0.042	0.019	52.221	-0.107	-0.107	0.000	0.000	0.000	0.000
1194	T	121	PHE	0	-0.020	0.001	54.540	0.152	0.152	0.000	0.000	0.000	0.000
1195	T	122	LEU	0	-0.036	-0.015	57.248	-0.272	-0.272	0.000	0.000	0.000	0.000
1196	T	123	VAL	0	-0.014	-0.019	60.342	-0.072	-0.072	0.000	0.000	0.000	0.000
1197	T	124	GLN	0	-0.031	-0.016	63.699	-0.496	-0.496	0.000	0.000	0.000	0.000
1198	T	125	ARG	1	0.940	0.986	61.597	-19.237	-19.237	0.000	0.000	0.000	0.000
1199	T	126	PRO	0	0.054	0.040	66.131	-0.282	-0.282	0.000	0.000	0.000	0.000
1200	T	127	LYS	1	0.992	0.981	69.333	-16.281	-16.281	0.000	0.000	0.000	0.000
1201	T	128	SER	0	-0.066	-0.033	71.791	-0.022	-0.022	0.000	0.000	0.000	0.000
1202	T	129	ALA	0	0.025	0.024	66.361	-0.028	-0.028	0.000	0.000	0.000	0.000
1203	T	130	ARG	1	0.920	0.941	67.896	-17.171	-17.171	0.000	0.000	0.000	0.000
1204	T	131	ASP	-1	-0.886	-0.943	63.052	19.357	19.357	0.000	0.000	0.000	0.000
1205	T	132	TRP	0	0.000	0.004	62.531	0.398	0.398	0.000	0.000	0.000	0.000
1206	T	133	GLN	0	0.010	-0.003	62.538	-0.529	-0.529	0.000	0.000	0.000	0.000
1207	T	134	PRO	0	-0.001	0.000	63.391	0.221	0.221	0.000	0.000	0.000	0.000
1208	T	135	ALA	0	0.063	0.019	62.029	0.090	0.090	0.000	0.000	0.000	0.000
1209	T	136	ASN	0	-0.025	-0.021	62.412	0.203	0.203	0.000	0.000	0.000	0.000
1210	T	137	LYS	1	0.899	0.956	64.898	-17.919	-17.919	0.000	0.000	0.000	0.000
1211	T	138	ARG	1	0.905	0.987	58.730	-20.588	-20.588	0.000	0.000	0.000	0.000
1212	T	139	SER	0	-0.013	-0.005	59.262	0.179	0.179	0.000	0.000	0.000	0.000
1213	T	140	VAL	0	-0.045	-0.001	61.162	-0.414	-0.414	0.000	0.000	0.000	0.000
1215	O	502	CAP	-4	-3.131	-3.584	28.252	140.490	140.490	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1214(A:502:CAP)