FMO DATABASE

FMODB ID: ZYVZN

Calculation Name: 2V67-ABIJ-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 2V67

Chain ID: ABIJ

ChEMBL ID:

UniProt ID: P00877

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI: 10.3390/ijms231911347

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	1214
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-44014274.988238
FMO2-HF: Nuclear repulsion	43525298.957267
FMO2-HF: Total energy	-488976.03097
FMO2-MP2: Total energy	-490371.608434

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.
-919.603	-928.264	184.278	-91.430	-84.175	-0.708

Interactive mode: IFIE and PIEDA for fragment #1213(A:477:CAP)

Summations of interaction energy for fragment #1213(A:477: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.
-919.603	-928.264	184.278	-91.43	-84.175	0.708

Interaction energy analysis for fragmet #1213(A:477:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.173 / q_NPA : -3.577

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].
164	A	173	THR	0	0.105	0.041	2.152	-17.308	-13.799	4.241	-3.690	-4.060	-0.019
165	A	174	ILE	0	-0.006	-0.007	4.206	7.136	7.367	-0.001	-0.044	-0.185	0.000
166	A	175	LYS	1	0.826	0.911	2.111	-230.047	-226.105	6.317	-4.474	-5.785	0.064
168	A	177	LYS	1	0.767	0.890	4.223	-161.096	-160.741	-0.001	-0.118	-0.236	0.000
192	A	201	KCX	-1	-0.542	-0.815	1.622	174.596	166.859	26.260	-10.601	-7.921	-0.098
194	A	203	ASP	0	0.199	0.037	4.365	5.533	5.691	-0.001	-0.035	-0.122	0.000
195	A	204	GLU	0	0.183	-0.020	4.098	-16.680	-16.345	-0.001	-0.062	-0.272	0.000
286	A	294	HIS	0	0.077	0.016	1.923	-3.855	-5.186	8.176	-2.866	-3.979	0.013
287	A	295	ARG	1	0.782	0.855	1.727	-277.939	-280.599	26.203	-14.022	-9.521	0.183
288	A	296	ALA	0	0.019	0.010	5.167	0.099	0.161	-0.001	-0.007	-0.053	0.000
290	A	298	HIS	1	0.839	0.895	3.407	-174.389	-172.589	0.050	-0.915	-0.936	0.008
319	A	327	HIS	0	0.072	0.087	1.796	-59.043	-57.852	13.931	-7.974	-7.147	0.097
320	A	328	SER	0	0.017	-0.004	4.702	-7.489	-7.335	-0.001	-0.024	-0.128	0.000
321	A	329	GLY	0	0.029	0.018	3.658	-10.410	-9.544	0.018	-0.422	-0.461	0.003
322	A	330	THR	0	0.024	0.004	4.611	-20.496	-20.305	-0.001	-0.024	-0.166	0.000
326	A	334	LYS	1	0.771	0.871	1.906	-273.309	-272.348	9.804	-5.804	-4.961	0.076
327	A	335	LEU	0	-0.019	-0.005	2.476	-21.620	-18.456	2.737	-2.340	-3.560	0.023
328	A	336	GLU	-1	-0.777	-0.882	5.564	83.415	83.472	-0.001	0.000	-0.055	0.000
370	A	378	ALA	0	0.028	0.030	4.679	20.572	20.782	-0.001	-0.007	-0.202	0.000
371	A	379	SER	0	0.007	-0.026	2.164	-30.992	-24.403	4.391	-5.128	-5.851	0.032
372	A	380	GLY	0	0.071	0.035	2.105	8.326	10.540	8.700	-5.699	-5.215	0.025
373	A	381	GLY	0	-0.039	-0.031	1.796	-45.233	-53.038	11.804	-0.211	-3.788	0.059
374	A	382	ILE	0	-0.042	-0.008	3.816	-30.049	-29.274	0.025	-0.365	-0.435	0.003
393	A	401	GLN	0	0.034	0.000	3.906	-22.983	-22.755	-0.001	-0.031	-0.196	0.000
394	A	402	PHE	0	0.028	0.004	3.746	18.570	19.319	0.014	-0.241	-0.521	0.001
395	A	403	GLY	0	0.064	0.040	1.968	-38.872	-38.337	7.638	-4.744	-3.429	0.061
396	A	404	GLY	0	0.048	-0.003	1.792	-52.937	-58.649	12.701	-3.176	-3.812	0.061
397	A	405	GLY	0	-0.027	-0.012	3.634	-30.122	-29.453	0.045	-0.259	-0.456	0.005
518	B	60	GLU	-1	-0.770	-0.890	5.511	180.572	180.618	-0.001	-0.017	-0.027	0.000
523	B	65	THR	0	-0.049	-0.075	1.486	-14.885	-33.198	37.037	-14.387	-4.337	0.085
524	B	66	TRP	0	0.013	0.010	2.411	-51.612	-48.888	2.882	-2.343	-3.263	0.031
525	B	67	THR	0	0.003	0.010	5.169	-22.066	-21.980	-0.001	-0.001	-0.084	0.000
581	B	123	ASN	0	0.093	0.018	2.719	4.672	7.672	1.317	-1.395	-2.921	-0.005
582	B	124	VAL	0	0.009	0.007	5.018	4.280	4.376	-0.001	-0.004	-0.090	0.000
1	A	10	GLY	0	-0.016	-0.010	53.305	-0.115	-0.115	0.000	0.000	0.000	0.000
2	A	11	ALA	0	0.025	0.000	51.380	0.238	0.238	0.000	0.000	0.000	0.000
3	A	12	GLY	0	-0.034	-0.010	52.064	0.203	0.203	0.000	0.000	0.000	0.000
4	A	13	PHE	0	0.008	0.007	47.444	0.168	0.168	0.000	0.000	0.000	0.000
5	A	14	LYS	1	0.953	0.976	49.877	-23.737	-23.737	0.000	0.000	0.000	0.000
6	A	15	ALA	0	0.017	0.016	48.557	0.452	0.452	0.000	0.000	0.000	0.000
7	A	16	GLY	0	0.060	0.024	47.327	-0.381	-0.381	0.000	0.000	0.000	0.000
8	A	17	VAL	0	-0.005	-0.002	42.211	0.284	0.284	0.000	0.000	0.000	0.000
9	A	18	LYS	1	0.879	0.951	43.420	-26.948	-26.948	0.000	0.000	0.000	0.000
10	A	19	ASP	-1	-0.859	-0.925	41.253	28.272	28.272	0.000	0.000	0.000	0.000
11	A	20	TYR	0	-0.041	-0.050	35.663	-0.350	-0.350	0.000	0.000	0.000	0.000
12	A	21	ARG	1	0.954	0.958	38.584	-28.908	-28.908	0.000	0.000	0.000	0.000
13	A	22	LEU	0	-0.061	-0.024	39.464	-0.311	-0.311	0.000	0.000	0.000	0.000
14	A	23	THR	0	-0.054	-0.019	39.806	-0.676	-0.676	0.000	0.000	0.000	0.000
15	A	24	TYR	0	0.001	-0.012	35.326	-0.292	-0.292	0.000	0.000	0.000	0.000
16	A	25	TYR	0	-0.002	0.021	35.691	0.580	0.580	0.000	0.000	0.000	0.000
17	A	26	THR	0	-0.065	-0.051	36.927	-0.769	-0.769	0.000	0.000	0.000	0.000
18	A	27	PRO	0	0.032	0.022	37.392	0.482	0.482	0.000	0.000	0.000	0.000
19	A	28	ASP	-1	-0.891	-0.927	38.474	27.873	27.873	0.000	0.000	0.000	0.000
20	A	29	TYR	0	-0.167	-0.109	34.280	-0.789	-0.789	0.000	0.000	0.000	0.000
21	A	30	VAL	0	0.012	0.010	37.254	0.551	0.551	0.000	0.000	0.000	0.000
22	A	31	VAL	0	-0.022	-0.012	31.873	-0.139	-0.139	0.000	0.000	0.000	0.000
23	A	32	ARG	1	0.949	0.974	34.337	-30.637	-30.637	0.000	0.000	0.000	0.000
24	A	33	ASP	-1	-0.874	-0.943	32.359	34.907	34.907	0.000	0.000	0.000	0.000
25	A	34	THR	0	-0.046	-0.040	31.262	0.577	0.577	0.000	0.000	0.000	0.000
26	A	35	ASP	-1	-0.813	-0.874	30.596	34.757	34.757	0.000	0.000	0.000	0.000
27	A	36	ILE	0	0.012	0.013	24.436	0.858	0.858	0.000	0.000	0.000	0.000
28	A	37	LEU	0	-0.043	-0.011	25.916	-1.102	-1.102	0.000	0.000	0.000	0.000
29	A	38	ALA	0	0.020	0.019	23.453	2.099	2.099	0.000	0.000	0.000	0.000
30	A	39	ALA	0	0.020	0.020	22.419	-1.737	-1.737	0.000	0.000	0.000	0.000
31	A	40	PHE	0	0.010	-0.003	22.043	2.725	2.725	0.000	0.000	0.000	0.000
32	A	41	ARG	1	0.834	0.912	19.378	-54.191	-54.191	0.000	0.000	0.000	0.000
33	A	42	MET	0	-0.008	-0.001	23.324	0.901	0.901	0.000	0.000	0.000	0.000
34	A	43	THR	0	0.007	0.003	25.124	-0.498	-0.498	0.000	0.000	0.000	0.000
35	A	44	PRO	0	0.040	0.021	27.570	0.238	0.238	0.000	0.000	0.000	0.000
36	A	45	GLN	0	-0.019	-0.005	31.048	-0.027	-0.027	0.000	0.000	0.000	0.000
37	A	46	PRO	0	0.035	0.003	33.073	-0.491	-0.491	0.000	0.000	0.000	0.000
38	A	47	GLY	0	-0.016	-0.002	36.096	-0.354	-0.354	0.000	0.000	0.000	0.000
39	A	48	VAL	0	-0.033	-0.005	34.640	-0.713	-0.713	0.000	0.000	0.000	0.000
40	A	49	PRO	0	-0.022	-0.010	35.669	0.572	0.572	0.000	0.000	0.000	0.000
41	A	50	PRO	0	0.082	0.036	33.068	0.464	0.464	0.000	0.000	0.000	0.000
42	A	51	GLU	-1	-0.889	-0.955	33.694	31.714	31.714	0.000	0.000	0.000	0.000
43	A	52	GLU	-1	-0.778	-0.897	35.966	30.425	30.425	0.000	0.000	0.000	0.000
44	A	53	CYS	0	-0.026	-0.003	30.426	0.505	0.505	0.000	0.000	0.000	0.000
45	A	54	GLY	0	0.062	0.018	30.787	0.945	0.945	0.000	0.000	0.000	0.000
46	A	55	ALA	0	-0.033	-0.011	31.768	0.446	0.446	0.000	0.000	0.000	0.000
47	A	56	ALA	0	0.018	0.009	32.717	-0.071	-0.071	0.000	0.000	0.000	0.000
48	A	57	VAL	0	0.006	0.009	26.915	0.333	0.333	0.000	0.000	0.000	0.000
49	A	58	ALA	0	0.012	0.022	29.433	0.613	0.613	0.000	0.000	0.000	0.000
50	A	59	ALA	0	-0.010	0.010	31.208	-0.059	-0.059	0.000	0.000	0.000	0.000
51	A	60	GLU	-1	-0.776	-0.886	30.983	33.719	33.719	0.000	0.000	0.000	0.000
52	A	61	SER	0	-0.035	-0.001	27.030	0.821	0.821	0.000	0.000	0.000	0.000
53	A	62	SER	0	-0.037	-0.043	28.896	0.049	0.049	0.000	0.000	0.000	0.000
54	A	63	THR	0	-0.003	-0.010	31.643	-0.112	-0.112	0.000	0.000	0.000	0.000
55	A	64	GLY	0	0.000	0.012	34.719	-0.892	-0.892	0.000	0.000	0.000	0.000
56	A	65	THR	0	-0.048	-0.064	34.984	0.899	0.899	0.000	0.000	0.000	0.000
57	A	66	TRP	0	0.017	0.011	37.059	-0.626	-0.626	0.000	0.000	0.000	0.000
58	A	67	THR	0	-0.007	0.003	38.679	-0.762	-0.762	0.000	0.000	0.000	0.000
59	A	68	THR	0	-0.054	-0.021	41.823	0.444	0.444	0.000	0.000	0.000	0.000
60	A	69	VAL	0	0.035	0.012	41.456	-0.415	-0.415	0.000	0.000	0.000	0.000
61	A	70	TRP	0	-0.042	-0.033	44.389	-0.193	-0.193	0.000	0.000	0.000	0.000
62	A	71	THR	0	-0.049	-0.076	42.766	-0.394	-0.394	0.000	0.000	0.000	0.000
63	A	72	ASP	-1	-0.840	-0.926	41.877	28.075	28.075	0.000	0.000	0.000	0.000
64	A	73	GLY	0	-0.052	-0.022	44.073	0.004	0.004	0.000	0.000	0.000	0.000
65	A	74	LEU	0	-0.094	-0.037	45.921	-0.431	-0.431	0.000	0.000	0.000	0.000
66	A	75	THR	0	-0.042	-0.025	41.364	-0.040	-0.040	0.000	0.000	0.000	0.000
67	A	76	SER	0	-0.011	0.000	42.807	-0.231	-0.231	0.000	0.000	0.000	0.000
68	A	77	LEU	0	0.073	0.015	39.431	0.610	0.610	0.000	0.000	0.000	0.000
69	A	78	ASP	-1	-0.929	-0.958	39.534	27.723	27.723	0.000	0.000	0.000	0.000
70	A	79	ARG	1	0.862	0.947	39.088	-28.316	-28.316	0.000	0.000	0.000	0.000
71	A	80	TYR	0	-0.015	-0.017	36.210	0.309	0.309	0.000	0.000	0.000	0.000
72	A	81	LYS	1	0.851	0.935	34.914	-28.283	-28.283	0.000	0.000	0.000	0.000
73	A	82	GLY	0	0.057	0.026	32.085	0.205	0.205	0.000	0.000	0.000	0.000
74	A	83	ARG	1	0.846	0.921	32.588	-31.493	-31.493	0.000	0.000	0.000	0.000
75	A	84	CYS	0	0.023	0.015	32.015	1.187	1.187	0.000	0.000	0.000	0.000
76	A	85	TYR	0	-0.021	-0.026	29.603	-0.612	-0.612	0.000	0.000	0.000	0.000
77	A	86	ASP	-1	-0.852	-0.928	31.603	34.207	34.207	0.000	0.000	0.000	0.000
78	A	87	ILE	0	-0.060	-0.028	31.086	1.054	1.054	0.000	0.000	0.000	0.000
79	A	88	GLU	-1	-0.830	-0.901	27.924	39.443	39.443	0.000	0.000	0.000	0.000
80	A	89	PRO	0	0.009	0.007	29.493	0.964	0.964	0.000	0.000	0.000	0.000
81	A	90	VAL	0	-0.011	-0.005	24.577	0.776	0.776	0.000	0.000	0.000	0.000
82	A	91	PRO	0	-0.023	-0.008	26.535	-0.732	-0.732	0.000	0.000	0.000	0.000
83	A	92	GLY	0	-0.014	-0.019	26.777	1.417	1.417	0.000	0.000	0.000	0.000
84	A	93	GLU	-1	-0.895	-0.945	24.493	45.865	45.865	0.000	0.000	0.000	0.000
85	A	94	ASP	-1	-0.924	-0.950	28.418	35.912	35.912	0.000	0.000	0.000	0.000
86	A	95	ASN	0	-0.086	-0.063	29.783	-1.527	-1.527	0.000	0.000	0.000	0.000
87	A	96	GLN	0	0.067	0.028	22.823	1.415	1.415	0.000	0.000	0.000	0.000
88	A	97	TYR	0	0.017	0.001	27.407	-1.135	-1.135	0.000	0.000	0.000	0.000
89	A	98	ILE	0	-0.028	-0.006	23.447	1.719	1.719	0.000	0.000	0.000	0.000
90	A	99	ALA	0	0.011	0.010	26.759	-1.588	-1.588	0.000	0.000	0.000	0.000
91	A	100	TYR	0	-0.042	-0.020	26.092	2.418	2.418	0.000	0.000	0.000	0.000
92	A	101	VAL	0	0.011	-0.002	27.693	-1.600	-1.600	0.000	0.000	0.000	0.000
93	A	102	ALA	0	-0.020	-0.004	28.199	1.143	1.143	0.000	0.000	0.000	0.000
94	A	103	TYR	0	-0.019	-0.043	26.190	-0.732	-0.732	0.000	0.000	0.000	0.000
95	A	104	HYP	0	0.006	0.006	30.392	0.191	0.191	0.000	0.000	0.000	0.000
96	A	105	ILE	0	0.059	0.018	29.658	0.523	0.523	0.000	0.000	0.000	0.000
97	A	106	ASP	-1	-0.906	-0.962	31.090	32.196	32.196	0.000	0.000	0.000	0.000
98	A	107	LEU	0	-0.091	-0.049	30.316	-0.380	-0.380	0.000	0.000	0.000	0.000
99	A	108	PHE	0	-0.021	0.003	25.545	0.572	0.572	0.000	0.000	0.000	0.000
100	A	109	GLU	-1	-0.785	-0.880	27.233	37.976	37.976	0.000	0.000	0.000	0.000
101	A	110	GLU	-1	-0.795	-0.889	26.694	37.369	37.369	0.000	0.000	0.000	0.000
102	A	111	GLY	0	0.034	0.027	24.582	-0.158	-0.158	0.000	0.000	0.000	0.000
103	A	112	SER	0	-0.020	-0.006	23.006	2.359	2.359	0.000	0.000	0.000	0.000
104	A	113	VAL	0	0.032	0.014	16.813	-0.821	-0.821	0.000	0.000	0.000	0.000
105	A	114	THR	0	0.002	0.002	20.188	1.034	1.034	0.000	0.000	0.000	0.000
106	A	115	ASN	0	-0.001	0.003	21.022	-0.717	-0.717	0.000	0.000	0.000	0.000
107	A	116	MET	0	-0.008	0.011	19.378	-1.135	-1.135	0.000	0.000	0.000	0.000
108	A	117	PHE	0	0.004	-0.016	15.177	-0.102	-0.102	0.000	0.000	0.000	0.000
109	A	118	THR	0	-0.007	0.018	20.746	0.351	0.351	0.000	0.000	0.000	0.000
110	A	119	SER	0	0.007	0.004	23.587	-1.492	-1.492	0.000	0.000	0.000	0.000
111	A	120	ILE	0	-0.035	-0.005	22.223	-0.561	-0.561	0.000	0.000	0.000	0.000
112	A	121	VAL	0	-0.020	-0.024	18.614	-0.087	-0.087	0.000	0.000	0.000	0.000
113	A	122	GLY	0	0.018	0.028	21.914	0.917	0.917	0.000	0.000	0.000	0.000
114	A	123	ASN	0	0.101	0.020	24.003	1.480	1.480	0.000	0.000	0.000	0.000
115	A	124	VAL	0	0.005	0.004	24.691	-0.183	-0.183	0.000	0.000	0.000	0.000
116	A	125	PHE	0	0.020	0.015	19.884	-0.804	-0.804	0.000	0.000	0.000	0.000
117	A	126	GLY	0	0.035	0.009	24.163	0.542	0.542	0.000	0.000	0.000	0.000
118	A	127	PHE	0	-0.018	0.002	26.499	-1.296	-1.296	0.000	0.000	0.000	0.000
119	A	128	LYS	1	0.813	0.906	29.506	-32.393	-32.393	0.000	0.000	0.000	0.000
120	A	129	ALA	0	-0.008	0.003	31.955	0.037	0.037	0.000	0.000	0.000	0.000
121	A	130	LEU	0	-0.028	-0.008	26.219	-0.352	-0.352	0.000	0.000	0.000	0.000
122	A	131	ARG	1	0.831	0.899	27.895	-38.271	-38.271	0.000	0.000	0.000	0.000
123	A	132	ALA	0	-0.010	-0.009	22.711	1.356	1.356	0.000	0.000	0.000	0.000
124	A	133	LEU	0	-0.022	-0.005	22.535	-1.755	-1.755	0.000	0.000	0.000	0.000
125	A	134	ARG	1	0.836	0.916	13.262	-66.663	-66.663	0.000	0.000	0.000	0.000
126	A	135	LEU	0	-0.028	0.012	18.293	-1.921	-1.921	0.000	0.000	0.000	0.000
127	A	136	GLU	-1	-0.789	-0.901	17.405	63.450	63.450	0.000	0.000	0.000	0.000
128	A	137	ASP	-1	-0.795	-0.915	17.468	58.624	58.624	0.000	0.000	0.000	0.000
129	A	138	LEU	0	0.007	-0.005	18.950	-2.029	-2.029	0.000	0.000	0.000	0.000
130	A	139	ARG	1	0.848	0.950	21.073	-38.549	-38.549	0.000	0.000	0.000	0.000
131	A	140	ILE	0	0.022	-0.010	20.434	-1.734	-1.734	0.000	0.000	0.000	0.000
132	A	141	PRO	0	0.011	0.029	23.697	0.230	0.230	0.000	0.000	0.000	0.000
133	A	142	PRO	0	0.130	0.047	26.645	0.500	0.500	0.000	0.000	0.000	0.000
134	A	143	ALA	0	-0.023	-0.016	28.035	0.084	0.084	0.000	0.000	0.000	0.000
135	A	144	TYR	0	-0.007	-0.019	23.565	0.075	0.075	0.000	0.000	0.000	0.000
136	A	145	VAL	0	0.030	0.022	22.890	0.553	0.553	0.000	0.000	0.000	0.000
137	A	146	LYS	1	0.939	0.957	24.841	-38.908	-38.908	0.000	0.000	0.000	0.000
138	A	147	THR	0	-0.095	-0.040	26.432	-0.608	-0.608	0.000	0.000	0.000	0.000
139	A	148	PHE	0	-0.014	-0.008	21.543	0.161	0.161	0.000	0.000	0.000	0.000
140	A	149	VAL	0	-0.016	0.001	22.861	-0.621	-0.621	0.000	0.000	0.000	0.000
141	A	150	GLY	0	0.016	0.013	19.857	-0.361	-0.361	0.000	0.000	0.000	0.000
142	A	151	HYP	0	-0.036	-0.033	16.662	1.544	1.544	0.000	0.000	0.000	0.000
143	A	152	PRO	0	-0.038	0.003	17.436	-2.936	-2.936	0.000	0.000	0.000	0.000
144	A	153	HIS	0	-0.044	-0.030	19.188	-5.363	-5.363	0.000	0.000	0.000	0.000
145	A	154	GLY	0	0.052	0.024	17.749	-2.108	-2.108	0.000	0.000	0.000	0.000
146	A	155	ILE	0	-0.026	-0.017	15.397	-0.847	-0.847	0.000	0.000	0.000	0.000
147	A	156	GLN	0	-0.041	-0.015	18.093	0.145	0.145	0.000	0.000	0.000	0.000
148	A	157	VAL	0	0.061	0.032	21.793	-0.675	-0.675	0.000	0.000	0.000	0.000
149	A	158	GLU	-1	-0.815	-0.883	15.401	73.788	73.788	0.000	0.000	0.000	0.000
150	A	159	ARG	1	0.799	0.884	17.524	-63.257	-63.257	0.000	0.000	0.000	0.000
151	A	160	ASP	-1	-0.802	-0.889	20.850	45.809	45.809	0.000	0.000	0.000	0.000
152	A	161	LYS	1	0.814	0.926	21.862	-50.225	-50.225	0.000	0.000	0.000	0.000
153	A	162	LEU	0	-0.035	-0.023	17.179	-0.929	-0.929	0.000	0.000	0.000	0.000
154	A	163	ASN	0	-0.016	-0.003	21.627	-0.907	-0.907	0.000	0.000	0.000	0.000
155	A	164	LYS	1	0.763	0.892	17.722	-61.588	-61.588	0.000	0.000	0.000	0.000
156	A	165	TYR	0	-0.008	-0.030	21.298	1.202	1.202	0.000	0.000	0.000	0.000
157	A	166	GLY	0	0.021	0.022	22.109	-0.365	-0.365	0.000	0.000	0.000	0.000
158	A	167	ARG	1	0.774	0.871	15.796	-66.060	-66.060	0.000	0.000	0.000	0.000
159	A	168	GLY	0	0.047	0.036	15.062	0.115	0.115	0.000	0.000	0.000	0.000
160	A	169	LEU	0	-0.026	-0.016	13.472	-1.908	-1.908	0.000	0.000	0.000	0.000
161	A	170	LEU	0	0.002	0.006	10.267	6.206	6.206	0.000	0.000	0.000	0.000
162	A	171	GLY	0	0.047	0.004	8.756	-5.774	-5.774	0.000	0.000	0.000	0.000
163	A	172	CYS	0	-0.053	-0.018	5.383	3.761	3.761	0.000	0.000	0.000	0.000
167	A	176	PRO	0	0.052	0.050	7.114	-8.790	-8.790	0.000	0.000	0.000	0.000
169	A	178	LEU	0	-0.021	-0.008	7.429	-6.189	-6.189	0.000	0.000	0.000	0.000
170	A	179	GLY	0	0.062	0.025	10.980	-0.017	-0.017	0.000	0.000	0.000	0.000
171	A	180	LEU	0	-0.054	-0.005	11.417	-5.659	-5.659	0.000	0.000	0.000	0.000
172	A	181	SER	0	0.045	0.020	14.537	-0.054	-0.054	0.000	0.000	0.000	0.000
173	A	182	ALA	0	0.089	0.032	16.214	2.389	2.389	0.000	0.000	0.000	0.000
174	A	183	LYS	1	0.955	0.986	17.082	-46.748	-46.748	0.000	0.000	0.000	0.000
175	A	184	ASN	0	-0.006	-0.027	16.047	-1.372	-1.372	0.000	0.000	0.000	0.000
176	A	185	TYR	0	0.090	0.048	8.283	1.703	1.703	0.000	0.000	0.000	0.000
177	A	186	GLY	0	0.058	0.031	13.643	2.662	2.662	0.000	0.000	0.000	0.000
178	A	187	ARG	1	0.902	0.950	16.147	-55.283	-55.283	0.000	0.000	0.000	0.000
179	A	188	ALA	0	0.002	-0.002	11.752	-0.420	-0.420	0.000	0.000	0.000	0.000
180	A	189	VAL	0	0.055	0.024	11.410	2.100	2.100	0.000	0.000	0.000	0.000
181	A	190	TYR	0	-0.070	-0.068	13.317	-0.327	-0.327	0.000	0.000	0.000	0.000
182	A	191	GLU	-1	-0.917	-0.963	14.994	57.804	57.804	0.000	0.000	0.000	0.000
183	A	192	CYS	0	-0.032	-0.017	9.540	-0.380	-0.380	0.000	0.000	0.000	0.000
184	A	193	LEU	0	0.030	0.021	12.864	-1.353	-1.353	0.000	0.000	0.000	0.000
185	A	194	ARG	1	0.736	0.847	14.967	-56.719	-56.719	0.000	0.000	0.000	0.000
186	A	195	GLY	0	-0.030	-0.011	15.788	-2.727	-2.727	0.000	0.000	0.000	0.000
187	A	196	GLY	0	0.031	0.016	15.986	-0.647	-0.647	0.000	0.000	0.000	0.000
188	A	197	LEU	0	-0.045	-0.014	9.390	0.107	0.107	0.000	0.000	0.000	0.000
189	A	198	ASP	-1	-0.767	-0.843	13.087	67.277	67.277	0.000	0.000	0.000	0.000
190	A	199	PHE	0	0.019	-0.002	10.645	-3.717	-3.717	0.000	0.000	0.000	0.000
191	A	200	THR	0	-0.040	-0.052	8.672	2.722	2.722	0.000	0.000	0.000	0.000
193	A	202	ASP	-1	-0.703	-0.838	6.763	86.320	86.320	0.000	0.000	0.000	0.000
197	A	205	ASN	0	0.000	-0.006	5.744	-4.216	-4.216	0.000	0.000	0.000	0.000
198	A	206	VAL	0	-0.055	-0.007	8.355	-8.972	-8.972	0.000	0.000	0.000	0.000
199	A	207	ASN	0	-0.020	-0.003	10.285	-2.552	-2.552	0.000	0.000	0.000	0.000
200	A	208	SER	0	0.031	0.006	13.152	-1.943	-1.943	0.000	0.000	0.000	0.000
201	A	209	GLN	0	0.002	-0.012	12.472	-1.313	-1.313	0.000	0.000	0.000	0.000
202	A	210	PRO	0	-0.003	0.001	17.511	-1.124	-1.124	0.000	0.000	0.000	0.000
203	A	211	PHE	0	-0.023	0.003	12.905	-1.290	-1.290	0.000	0.000	0.000	0.000
204	A	212	MET	0	-0.071	-0.024	12.219	-0.892	-0.892	0.000	0.000	0.000	0.000
205	A	213	ARG	1	0.848	0.931	16.850	-50.270	-50.270	0.000	0.000	0.000	0.000
206	A	214	TRP	0	0.056	0.009	16.749	0.371	0.371	0.000	0.000	0.000	0.000
207	A	215	ARG	1	0.969	0.992	17.750	-43.959	-43.959	0.000	0.000	0.000	0.000
208	A	216	ASP	-1	-0.888	-0.947	20.003	48.501	48.501	0.000	0.000	0.000	0.000
209	A	217	ARG	1	0.783	0.863	12.383	-74.650	-74.650	0.000	0.000	0.000	0.000
210	A	218	PHE	0	0.006	-0.010	14.945	0.725	0.725	0.000	0.000	0.000	0.000
211	A	219	LEU	0	0.016	0.011	17.943	-0.588	-0.588	0.000	0.000	0.000	0.000
212	A	220	PHE	0	0.001	-0.008	18.437	-0.987	-0.987	0.000	0.000	0.000	0.000
213	A	221	VAL	0	-0.011	0.000	13.749	0.232	0.232	0.000	0.000	0.000	0.000
214	A	222	ALA	0	0.018	0.017	16.699	0.307	0.307	0.000	0.000	0.000	0.000
215	A	223	GLU	-1	-0.983	-0.987	19.567	46.410	46.410	0.000	0.000	0.000	0.000
216	A	224	ALA	0	-0.030	-0.021	16.827	-0.971	-0.971	0.000	0.000	0.000	0.000
217	A	225	ILE	0	0.020	0.007	15.637	0.083	0.083	0.000	0.000	0.000	0.000
218	A	226	TYR	0	-0.034	-0.033	18.299	-0.606	-0.606	0.000	0.000	0.000	0.000
219	A	227	LYS	1	0.917	0.976	21.356	-48.615	-48.615	0.000	0.000	0.000	0.000
220	A	228	ALA	0	0.028	0.004	18.495	-1.346	-1.346	0.000	0.000	0.000	0.000
221	A	229	GLN	0	0.024	0.025	20.417	1.520	1.520	0.000	0.000	0.000	0.000
222	A	230	ALA	0	-0.026	-0.009	21.960	-1.494	-1.494	0.000	0.000	0.000	0.000
223	A	231	GLU	-1	-0.835	-0.891	22.129	49.480	49.480	0.000	0.000	0.000	0.000
224	A	232	THR	0	-0.024	-0.024	19.561	-0.889	-0.889	0.000	0.000	0.000	0.000
225	A	233	GLY	0	-0.007	0.008	23.001	-0.910	-0.910	0.000	0.000	0.000	0.000
226	A	234	GLU	-1	-0.765	-0.873	19.591	56.431	56.431	0.000	0.000	0.000	0.000
227	A	235	VAL	0	0.014	0.005	19.505	0.451	0.451	0.000	0.000	0.000	0.000
228	A	236	LYS	1	0.836	0.930	16.665	-61.320	-61.320	0.000	0.000	0.000	0.000
229	A	237	GLY	0	0.021	-0.002	15.242	-2.889	-2.889	0.000	0.000	0.000	0.000
230	A	238	HIS	0	-0.016	0.000	9.736	3.634	3.634	0.000	0.000	0.000	0.000
231	A	239	TYR	0	-0.014	-0.013	7.338	-8.215	-8.215	0.000	0.000	0.000	0.000
232	A	240	LEU	0	-0.021	-0.004	10.159	4.001	4.001	0.000	0.000	0.000	0.000
233	A	241	ASN	0	0.009	-0.004	8.573	-6.007	-6.007	0.000	0.000	0.000	0.000
234	A	242	ALA	0	-0.016	-0.006	11.435	-4.121	-4.121	0.000	0.000	0.000	0.000
235	A	243	THR	0	-0.015	-0.003	10.313	-4.816	-4.816	0.000	0.000	0.000	0.000
236	A	244	ALA	0	-0.005	-0.005	13.312	-0.740	-0.740	0.000	0.000	0.000	0.000
237	A	245	GLY	0	0.034	0.013	16.424	0.765	0.765	0.000	0.000	0.000	0.000
238	A	246	THR	0	0.027	0.020	19.072	-0.511	-0.511	0.000	0.000	0.000	0.000
239	B	247	CYS	0	0.061	-0.011	20.410	1.119	1.119	0.000	0.000	0.000	0.000
240	A	248	GLU	-1	-0.829	-0.907	21.886	44.527	44.527	0.000	0.000	0.000	0.000
241	A	249	GLU	-1	-0.841	-0.909	20.018	48.628	48.628	0.000	0.000	0.000	0.000
242	A	250	MET	0	-0.014	0.012	16.539	1.227	1.227	0.000	0.000	0.000	0.000
243	A	251	MET	0	-0.004	-0.005	18.784	1.199	1.199	0.000	0.000	0.000	0.000
244	A	252	LYS	1	0.840	0.910	21.531	-45.634	-45.634	0.000	0.000	0.000	0.000
245	A	253	ARG	1	0.743	0.862	15.866	-59.266	-59.266	0.000	0.000	0.000	0.000
246	A	254	ALA	0	0.046	0.020	18.549	0.695	0.695	0.000	0.000	0.000	0.000
247	A	255	VAL	0	-0.002	0.003	19.374	-0.559	-0.559	0.000	0.000	0.000	0.000
248	A	256	SMC	0	-0.063	-0.018	20.856	-0.296	-0.296	0.000	0.000	0.000	0.000
249	A	257	ALA	0	0.042	0.012	17.983	-0.509	-0.509	0.000	0.000	0.000	0.000
250	A	258	LYS	1	0.901	0.939	20.020	-43.067	-43.067	0.000	0.000	0.000	0.000
251	A	259	GLU	-1	-1.020	-1.014	22.862	40.195	40.195	0.000	0.000	0.000	0.000
252	A	260	LEU	0	-0.057	-0.020	20.716	-1.133	-1.133	0.000	0.000	0.000	0.000
253	A	261	GLY	0	0.016	0.025	23.596	-0.028	-0.028	0.000	0.000	0.000	0.000
254	A	262	VAL	0	-0.034	-0.012	18.125	0.629	0.629	0.000	0.000	0.000	0.000
255	A	263	PRO	0	0.029	0.007	16.977	-0.299	-0.299	0.000	0.000	0.000	0.000
256	A	264	ILE	0	-0.040	-0.014	12.561	0.028	0.028	0.000	0.000	0.000	0.000
257	A	265	ILE	0	0.011	0.016	13.331	0.173	0.173	0.000	0.000	0.000	0.000
258	A	266	MET	0	-0.050	-0.010	5.295	2.107	2.107	0.000	0.000	0.000	0.000
259	A	267	HIS	0	-0.032	-0.031	10.134	-6.507	-6.507	0.000	0.000	0.000	0.000
260	A	268	ASP	-1	-0.764	-0.896	7.719	110.785	110.785	0.000	0.000	0.000	0.000
261	A	269	TYR	0	-0.057	-0.039	7.537	-2.482	-2.482	0.000	0.000	0.000	0.000
262	A	270	LEU	0	-0.022	-0.001	7.992	-5.847	-5.847	0.000	0.000	0.000	0.000
263	A	271	THR	0	-0.030	-0.018	10.085	-3.934	-3.934	0.000	0.000	0.000	0.000
264	A	272	GLY	0	0.009	0.014	12.499	-4.585	-4.585	0.000	0.000	0.000	0.000
265	A	273	GLY	0	-0.007	-0.006	13.895	-4.805	-4.805	0.000	0.000	0.000	0.000
266	A	274	PHE	0	0.064	0.007	13.567	0.702	0.702	0.000	0.000	0.000	0.000
267	A	275	THR	0	0.009	0.031	16.824	-0.642	-0.642	0.000	0.000	0.000	0.000
268	A	276	ALA	0	0.021	-0.009	17.580	-1.325	-1.325	0.000	0.000	0.000	0.000
269	A	277	ASN	0	0.033	0.012	13.826	3.307	3.307	0.000	0.000	0.000	0.000
270	A	278	THR	0	0.013	0.015	16.562	0.253	0.253	0.000	0.000	0.000	0.000
271	A	279	SER	0	-0.009	-0.021	19.375	-1.279	-1.279	0.000	0.000	0.000	0.000
272	A	280	LEU	0	-0.008	0.002	15.119	-1.461	-1.461	0.000	0.000	0.000	0.000
273	A	281	ALA	0	0.032	0.015	17.475	-0.497	-0.497	0.000	0.000	0.000	0.000
274	A	282	ILE	0	0.015	0.004	19.151	-1.218	-1.218	0.000	0.000	0.000	0.000
275	A	283	TYR	0	0.046	0.024	20.863	-1.210	-1.210	0.000	0.000	0.000	0.000
276	A	284	CYS	0	-0.046	-0.019	18.065	-0.380	-0.380	0.000	0.000	0.000	0.000
277	A	285	ARG	1	0.854	0.919	20.715	-48.593	-48.593	0.000	0.000	0.000	0.000
278	A	286	ASP	-1	-0.941	-0.966	23.347	41.133	41.133	0.000	0.000	0.000	0.000
279	A	287	ASN	0	-0.117	-0.061	23.397	-2.932	-2.932	0.000	0.000	0.000	0.000
280	A	288	GLY	0	-0.025	0.006	23.326	-0.102	-0.102	0.000	0.000	0.000	0.000
281	A	289	LEU	0	-0.037	-0.016	18.142	0.569	0.569	0.000	0.000	0.000	0.000
282	A	290	LEU	0	-0.013	-0.010	15.749	0.094	0.094	0.000	0.000	0.000	0.000
283	A	291	LEU	0	0.010	-0.006	13.256	0.973	0.973	0.000	0.000	0.000	0.000
284	A	292	HIS	0	-0.003	-0.015	5.444	-7.293	-7.293	0.000	0.000	0.000	0.000
285	A	293	ILE	0	0.002	0.006	8.311	-0.682	-0.682	0.000	0.000	0.000	0.000
289	A	297	MET	0	0.009	-0.010	6.102	-12.016	-12.016	0.000	0.000	0.000	0.000
291	A	299	ALA	0	0.017	0.029	6.587	-7.810	-7.810	0.000	0.000	0.000	0.000
292	A	300	VAL	0	-0.044	-0.007	8.432	-8.010	-8.010	0.000	0.000	0.000	0.000
293	A	301	ILE	0	-0.025	-0.015	10.848	-6.425	-6.425	0.000	0.000	0.000	0.000
294	A	302	ASP	-1	-0.791	-0.890	8.311	108.161	108.161	0.000	0.000	0.000	0.000
295	A	303	ARG	1	0.792	0.899	9.207	-94.883	-94.883	0.000	0.000	0.000	0.000
296	A	304	GLN	0	-0.029	-0.022	11.181	-5.174	-5.174	0.000	0.000	0.000	0.000
297	A	305	ARG	1	0.853	0.931	14.939	-54.047	-54.047	0.000	0.000	0.000	0.000
298	A	306	ASN	0	-0.019	-0.025	17.024	0.255	0.255	0.000	0.000	0.000	0.000
299	A	307	HIS	0	-0.019	-0.028	18.164	-3.660	-3.660	0.000	0.000	0.000	0.000
300	A	308	GLY	0	0.051	0.042	15.954	2.961	2.961	0.000	0.000	0.000	0.000
301	A	309	ILE	0	-0.035	-0.027	14.237	-3.785	-3.785	0.000	0.000	0.000	0.000
302	A	310	HIS	0	0.027	0.023	11.874	4.682	4.682	0.000	0.000	0.000	0.000
303	A	311	PHE	0	0.074	0.016	6.972	1.568	1.568	0.000	0.000	0.000	0.000
304	A	312	ARG	1	0.905	0.946	10.557	-65.058	-65.058	0.000	0.000	0.000	0.000
305	A	313	VAL	0	-0.021	0.004	13.056	-2.302	-2.302	0.000	0.000	0.000	0.000
306	A	314	LEU	0	-0.005	-0.006	9.652	-1.962	-1.962	0.000	0.000	0.000	0.000
307	A	315	ALA	0	0.008	0.018	10.321	0.757	0.757	0.000	0.000	0.000	0.000
308	A	316	LYS	1	0.813	0.901	11.524	-58.067	-58.067	0.000	0.000	0.000	0.000
309	A	317	ALA	0	0.027	0.009	14.091	-2.537	-2.537	0.000	0.000	0.000	0.000
310	A	318	LEU	0	0.012	0.015	10.434	-2.295	-2.295	0.000	0.000	0.000	0.000
311	A	319	ARG	1	0.769	0.895	13.366	-60.963	-60.963	0.000	0.000	0.000	0.000
312	A	320	MET	0	-0.015	-0.012	15.605	-2.383	-2.383	0.000	0.000	0.000	0.000
313	A	321	SER	0	-0.065	-0.038	15.590	-1.015	-1.015	0.000	0.000	0.000	0.000
314	A	322	GLY	0	0.029	0.004	16.061	-2.334	-2.334	0.000	0.000	0.000	0.000
315	A	323	GLY	0	0.028	-0.016	13.262	2.588	2.588	0.000	0.000	0.000	0.000
316	A	324	ASP	-1	-0.736	-0.855	14.277	62.282	62.282	0.000	0.000	0.000	0.000
317	A	325	HIS	1	0.744	0.859	9.533	-88.047	-88.047	0.000	0.000	0.000	0.000
318	A	326	LEU	0	0.045	0.019	6.947	-1.589	-1.589	0.000	0.000	0.000	0.000
323	A	331	VAL	0	0.042	0.050	7.192	-11.134	-11.134	0.000	0.000	0.000	0.000
324	A	332	VAL	0	-0.024	-0.027	9.496	-3.635	-3.635	0.000	0.000	0.000	0.000
325	A	333	GLY	0	0.007	0.018	7.018	-3.417	-3.417	0.000	0.000	0.000	0.000
329	A	337	GLY	0	0.029	0.000	6.017	11.178	11.178	0.000	0.000	0.000	0.000
330	A	338	GLU	-1	-0.885	-0.945	8.160	68.462	68.462	0.000	0.000	0.000	0.000
331	A	339	ARG	1	0.883	0.913	11.702	-64.318	-64.318	0.000	0.000	0.000	0.000
332	A	340	GLU	-1	-0.849	-0.919	13.339	61.327	61.327	0.000	0.000	0.000	0.000
333	A	341	VAL	0	-0.039	-0.013	11.190	-1.225	-1.225	0.000	0.000	0.000	0.000
334	A	342	ILE	0	-0.047	-0.023	7.293	1.487	1.487	0.000	0.000	0.000	0.000
335	A	343	LEU	0	-0.016	-0.013	11.041	-0.223	-0.223	0.000	0.000	0.000	0.000
336	A	344	GLY	0	0.045	0.041	14.331	-2.486	-2.486	0.000	0.000	0.000	0.000
337	A	345	PHE	0	-0.020	-0.027	7.800	-1.659	-1.659	0.000	0.000	0.000	0.000
338	A	346	VAL	0	0.012	-0.002	10.644	1.340	1.340	0.000	0.000	0.000	0.000
339	A	347	ASP	-1	-0.855	-0.915	13.029	59.741	59.741	0.000	0.000	0.000	0.000
340	A	348	LEU	0	-0.090	-0.042	15.402	-2.098	-2.098	0.000	0.000	0.000	0.000
341	A	349	MET	0	-0.070	-0.012	9.444	1.122	1.122	0.000	0.000	0.000	0.000
342	A	350	ARG	1	0.822	0.904	14.076	-72.567	-72.567	0.000	0.000	0.000	0.000
343	A	351	ASP	-1	-0.864	-0.918	16.608	54.329	54.329	0.000	0.000	0.000	0.000
344	A	352	ASP	-1	-0.898	-0.952	20.066	45.542	45.542	0.000	0.000	0.000	0.000
345	A	353	TYR	0	0.000	-0.005	23.197	-1.020	-1.020	0.000	0.000	0.000	0.000
346	A	354	VAL	0	0.015	0.017	19.589	0.523	0.523	0.000	0.000	0.000	0.000
347	A	355	GLU	-1	-0.936	-0.971	22.968	39.415	39.415	0.000	0.000	0.000	0.000
348	A	356	LYS	1	0.926	0.960	23.452	-39.055	-39.055	0.000	0.000	0.000	0.000
349	A	357	ASP	-1	-0.780	-0.884	21.762	48.631	48.631	0.000	0.000	0.000	0.000
350	A	358	ARG	1	0.866	0.930	21.292	-43.620	-43.620	0.000	0.000	0.000	0.000
351	A	359	SER	0	-0.099	-0.048	21.211	1.584	1.584	0.000	0.000	0.000	0.000
352	A	360	ARG	1	0.990	0.986	17.485	-56.458	-56.458	0.000	0.000	0.000	0.000
353	A	361	GLY	0	-0.053	-0.033	16.868	3.197	3.197	0.000	0.000	0.000	0.000
354	A	362	ILE	0	-0.026	0.006	18.233	1.072	1.072	0.000	0.000	0.000	0.000
355	A	363	TYR	0	-0.051	-0.049	19.281	-3.236	-3.236	0.000	0.000	0.000	0.000
356	A	364	PHE	0	-0.058	-0.034	22.401	-2.695	-2.695	0.000	0.000	0.000	0.000
357	A	365	THR	0	0.046	0.026	23.081	1.780	1.780	0.000	0.000	0.000	0.000
358	A	366	GLN	0	-0.056	-0.023	20.270	-0.048	-0.048	0.000	0.000	0.000	0.000
359	A	367	ASP	-1	-0.827	-0.915	23.460	41.846	41.846	0.000	0.000	0.000	0.000
360	A	368	TRP	0	-0.039	-0.036	17.642	-0.026	-0.026	0.000	0.000	0.000	0.000
361	A	369	SMC	0	-0.051	-0.021	23.527	-0.451	-0.451	0.000	0.000	0.000	0.000
362	A	370	SER	0	-0.027	-0.025	25.607	-1.403	-1.403	0.000	0.000	0.000	0.000
363	A	371	MET	0	-0.064	0.000	20.393	0.931	0.931	0.000	0.000	0.000	0.000
364	A	372	PRO	0	0.025	0.020	19.994	1.079	1.079	0.000	0.000	0.000	0.000
365	A	373	GLY	0	0.056	0.037	17.787	1.274	1.274	0.000	0.000	0.000	0.000
366	A	374	VAL	0	-0.031	-0.028	11.700	0.029	0.029	0.000	0.000	0.000	0.000
367	A	375	MET	0	0.016	0.005	11.875	0.262	0.262	0.000	0.000	0.000	0.000
368	A	376	PRO	0	0.000	0.006	8.946	5.967	5.967	0.000	0.000	0.000	0.000
369	A	377	VAL	0	-0.024	-0.012	5.248	-4.392	-4.392	0.000	0.000	0.000	0.000
375	A	383	HIS	0	0.013	-0.022	5.722	7.125	7.125	0.000	0.000	0.000	0.000
376	A	384	VAL	0	0.054	0.016	8.462	-4.453	-4.453	0.000	0.000	0.000	0.000
377	A	385	TRP	0	-0.082	-0.040	11.809	-7.068	-7.068	0.000	0.000	0.000	0.000
378	A	386	HIS	0	0.032	0.021	8.974	1.141	1.141	0.000	0.000	0.000	0.000
379	A	387	MET	0	-0.035	0.007	10.904	0.453	0.453	0.000	0.000	0.000	0.000
380	A	388	PRO	0	0.017	0.000	13.423	-1.284	-1.284	0.000	0.000	0.000	0.000
381	A	389	ALA	0	0.020	0.013	14.648	-1.719	-1.719	0.000	0.000	0.000	0.000
382	A	390	LEU	0	0.005	0.008	9.497	0.129	0.129	0.000	0.000	0.000	0.000
383	A	391	VAL	0	0.016	-0.002	13.287	-0.562	-0.562	0.000	0.000	0.000	0.000
384	A	392	GLU	-1	-0.885	-0.925	16.080	62.037	62.037	0.000	0.000	0.000	0.000
385	A	393	ILE	0	-0.037	-0.006	12.177	-1.544	-1.544	0.000	0.000	0.000	0.000
386	A	394	PHE	0	-0.033	-0.018	8.535	-0.096	-0.096	0.000	0.000	0.000	0.000
387	A	395	GLY	0	0.027	0.029	13.926	-2.953	-2.953	0.000	0.000	0.000	0.000
388	A	396	ASP	-1	-0.826	-0.918	15.542	63.367	63.367	0.000	0.000	0.000	0.000
389	A	397	ASP	-1	-0.888	-0.938	15.787	63.613	63.613	0.000	0.000	0.000	0.000
390	A	398	ALA	0	0.045	0.011	10.770	2.318	2.318	0.000	0.000	0.000	0.000
391	A	399	CYS	0	-0.064	-0.008	9.344	-3.492	-3.492	0.000	0.000	0.000	0.000
392	A	400	LEU	0	0.009	0.003	8.591	9.959	9.959	0.000	0.000	0.000	0.000
398	A	406	THR	0	-0.057	-0.042	6.078	-21.069	-21.069	0.000	0.000	0.000	0.000
399	A	407	LEU	0	-0.020	-0.028	6.398	-12.512	-12.512	0.000	0.000	0.000	0.000
400	A	408	GLY	0	0.043	0.021	7.387	-6.805	-6.805	0.000	0.000	0.000	0.000
401	A	409	HIS	0	-0.021	0.004	8.527	-5.959	-5.959	0.000	0.000	0.000	0.000
402	A	410	PRO	0	0.011	-0.005	11.523	-2.359	-2.359	0.000	0.000	0.000	0.000
403	A	411	TRP	0	-0.055	-0.057	14.751	-3.918	-3.918	0.000	0.000	0.000	0.000
404	A	412	GLY	0	0.035	0.034	13.669	-3.180	-3.180	0.000	0.000	0.000	0.000
405	A	413	ASN	0	0.032	0.008	11.254	3.201	3.201	0.000	0.000	0.000	0.000
406	A	414	ALA	0	0.046	0.046	12.792	2.160	2.160	0.000	0.000	0.000	0.000
407	A	415	PRO	0	-0.012	-0.027	15.469	-0.149	-0.149	0.000	0.000	0.000	0.000
408	A	416	GLY	0	0.032	0.018	11.634	-0.019	-0.019	0.000	0.000	0.000	0.000
409	A	417	ALA	0	-0.011	0.001	11.423	3.519	3.519	0.000	0.000	0.000	0.000
410	A	418	ALA	0	0.013	0.014	12.373	-0.144	-0.144	0.000	0.000	0.000	0.000
411	A	419	ALA	0	-0.036	-0.013	13.150	-1.817	-1.817	0.000	0.000	0.000	0.000
412	A	420	ASN	0	0.014	-0.006	8.549	-2.139	-2.139	0.000	0.000	0.000	0.000
413	A	421	ARG	1	0.756	0.871	12.129	-62.314	-62.314	0.000	0.000	0.000	0.000
414	A	422	VAL	0	-0.020	-0.010	14.884	-2.603	-2.603	0.000	0.000	0.000	0.000
415	A	423	ALA	0	-0.005	-0.001	13.926	-2.241	-2.241	0.000	0.000	0.000	0.000
416	A	424	LEU	0	0.032	0.012	13.855	-1.829	-1.829	0.000	0.000	0.000	0.000
417	A	425	GLU	-1	-0.743	-0.870	15.710	53.555	53.555	0.000	0.000	0.000	0.000
418	A	426	ALA	0	0.000	0.003	19.092	-2.756	-2.756	0.000	0.000	0.000	0.000
419	A	427	CYS	0	-0.053	-0.026	17.564	-1.788	-1.788	0.000	0.000	0.000	0.000
420	A	428	THR	0	0.010	0.000	18.523	-1.074	-1.074	0.000	0.000	0.000	0.000
421	A	429	GLN	0	-0.025	-0.013	20.922	-3.254	-3.254	0.000	0.000	0.000	0.000
422	A	430	ALA	0	-0.007	-0.006	22.944	-1.738	-1.738	0.000	0.000	0.000	0.000
423	A	431	ARG	1	0.827	0.899	19.869	-57.819	-57.819	0.000	0.000	0.000	0.000
424	A	432	ASN	0	-0.020	-0.020	24.463	-0.024	-0.024	0.000	0.000	0.000	0.000
425	A	433	GLU	-1	-0.964	-0.984	26.828	41.126	41.126	0.000	0.000	0.000	0.000
426	A	434	GLY	0	-0.013	0.006	28.192	-1.548	-1.548	0.000	0.000	0.000	0.000
427	A	435	ARG	1	0.863	0.944	25.984	-45.865	-45.865	0.000	0.000	0.000	0.000
428	A	436	ASP	-1	-0.835	-0.918	24.789	51.150	51.150	0.000	0.000	0.000	0.000
429	A	437	LEU	0	-0.022	-0.022	19.423	0.395	0.395	0.000	0.000	0.000	0.000
430	A	438	ALA	0	0.018	0.016	21.370	2.067	2.067	0.000	0.000	0.000	0.000
431	A	439	ARG	1	0.875	0.942	22.356	-46.448	-46.448	0.000	0.000	0.000	0.000
432	A	440	GLU	-1	-0.840	-0.940	24.860	43.872	43.872	0.000	0.000	0.000	0.000
433	A	441	GLY	0	0.046	0.030	20.449	0.154	0.154	0.000	0.000	0.000	0.000
434	A	442	GLY	0	-0.010	-0.021	20.318	1.116	1.116	0.000	0.000	0.000	0.000
435	A	443	ASP	-1	-0.874	-0.937	21.318	46.192	46.192	0.000	0.000	0.000	0.000
436	A	444	VAL	0	-0.026	-0.004	20.829	-1.037	-1.037	0.000	0.000	0.000	0.000
437	A	445	ILE	0	0.050	0.024	16.315	-0.656	-0.656	0.000	0.000	0.000	0.000
438	A	446	ARG	1	0.892	0.934	19.629	-52.026	-52.026	0.000	0.000	0.000	0.000
439	A	447	SER	0	-0.073	-0.035	22.261	-1.933	-1.933	0.000	0.000	0.000	0.000
440	A	448	ALA	0	0.042	0.030	19.818	-1.267	-1.267	0.000	0.000	0.000	0.000
441	A	449	CYS	0	-0.119	-0.077	14.046	2.529	2.529	0.000	0.000	0.000	0.000
442	A	450	LYS	1	0.902	0.953	20.792	-45.939	-45.939	0.000	0.000	0.000	0.000
443	A	451	TRP	0	-0.015	0.009	21.869	-1.132	-1.132	0.000	0.000	0.000	0.000
444	A	452	SER	0	0.009	0.019	19.911	0.090	0.090	0.000	0.000	0.000	0.000
445	A	453	PRO	0	0.038	0.006	20.823	1.564	1.564	0.000	0.000	0.000	0.000
446	A	454	GLU	-1	-0.817	-0.914	16.994	54.224	54.224	0.000	0.000	0.000	0.000
447	A	455	LEU	0	0.032	0.011	15.251	3.470	3.470	0.000	0.000	0.000	0.000
448	A	456	ALA	0	-0.011	-0.010	16.780	2.345	2.345	0.000	0.000	0.000	0.000
449	A	457	ALA	0	-0.039	-0.015	17.133	0.580	0.580	0.000	0.000	0.000	0.000
450	A	458	ALA	0	0.018	0.009	12.639	1.883	1.883	0.000	0.000	0.000	0.000
451	A	460	GLU	-1	-0.957	-0.975	16.246	57.436	57.436	0.000	0.000	0.000	0.000
452	A	461	VAL	0	0.020	0.021	12.159	-0.149	-0.149	0.000	0.000	0.000	0.000
453	A	462	TRP	0	-0.028	-0.027	8.454	1.539	1.539	0.000	0.000	0.000	0.000
454	A	463	LYS	1	0.923	0.972	13.051	-52.445	-52.445	0.000	0.000	0.000	0.000
455	A	464	GLU	-1	-0.934	-0.974	15.963	58.490	58.490	0.000	0.000	0.000	0.000
456	A	465	ILE	0	-0.069	-0.012	9.534	0.716	0.716	0.000	0.000	0.000	0.000
457	A	466	LYS	1	0.960	0.978	12.065	-65.806	-65.806	0.000	0.000	0.000	0.000
458	A	467	PHE	0	-0.001	0.002	7.089	1.411	1.411	0.000	0.000	0.000	0.000
459	A	468	GLU	-1	-0.950	-0.977	11.656	72.151	72.151	0.000	0.000	0.000	0.000
460	A	469	PHE	0	0.032	0.006	12.271	-2.356	-2.356	0.000	0.000	0.000	0.000
461	A	470	ASP	-1	-0.836	-0.908	14.913	61.513	61.513	0.000	0.000	0.000	0.000
462	A	471	THR	0	-0.031	-0.008	12.097	3.040	3.040	0.000	0.000	0.000	0.000
463	A	472	ILE	0	-0.012	-0.010	12.765	-5.326	-5.326	0.000	0.000	0.000	0.000
464	A	473	ASP	-1	-0.821	-0.894	11.331	73.596	73.596	0.000	0.000	0.000	0.000
465	A	474	LYS	1	0.821	0.912	13.371	-59.865	-59.865	0.000	0.000	0.000	0.000
466	A	475	LEU	0	0.031	0.023	16.153	-3.533	-3.533	0.000	0.000	0.000	0.000
467	B	9	ALA	0	-0.021	-0.023	26.383	-0.284	-0.284	0.000	0.000	0.000	0.000
468	B	10	GLY	0	0.025	0.015	25.258	-0.125	-0.125	0.000	0.000	0.000	0.000
469	B	11	ALA	0	-0.011	-0.006	20.158	0.409	0.409	0.000	0.000	0.000	0.000
470	B	12	GLY	0	0.032	0.018	19.655	0.193	0.193	0.000	0.000	0.000	0.000
471	B	13	PHE	0	-0.056	-0.018	11.447	0.170	0.170	0.000	0.000	0.000	0.000
472	B	14	LYS	1	0.956	0.976	15.312	-61.060	-61.060	0.000	0.000	0.000	0.000
473	B	15	ALA	0	0.013	0.012	12.245	2.802	2.802	0.000	0.000	0.000	0.000
474	B	16	GLY	0	0.062	0.025	11.134	-4.602	-4.602	0.000	0.000	0.000	0.000
475	B	17	VAL	0	-0.005	0.001	9.164	3.527	3.527	0.000	0.000	0.000	0.000
476	B	18	LYS	1	0.884	0.951	11.352	-79.329	-79.329	0.000	0.000	0.000	0.000
477	B	19	ASP	-1	-0.867	-0.926	12.259	72.358	72.358	0.000	0.000	0.000	0.000
478	B	20	TYR	0	-0.030	-0.042	6.778	-3.937	-3.937	0.000	0.000	0.000	0.000
479	B	21	ARG	1	0.932	0.955	13.245	-59.844	-59.844	0.000	0.000	0.000	0.000
480	B	22	LEU	0	-0.060	-0.024	16.129	-3.383	-3.383	0.000	0.000	0.000	0.000
481	B	23	THR	0	-0.062	-0.027	13.908	-3.684	-3.684	0.000	0.000	0.000	0.000
482	B	24	TYR	0	-0.007	-0.020	11.102	-0.914	-0.914	0.000	0.000	0.000	0.000
483	B	25	TYR	0	0.025	0.027	16.088	-0.493	-0.493	0.000	0.000	0.000	0.000
484	B	26	THR	0	-0.078	-0.057	19.351	-0.966	-0.966	0.000	0.000	0.000	0.000
485	B	27	PRO	0	0.025	0.025	22.178	-0.297	-0.297	0.000	0.000	0.000	0.000
486	B	28	ASP	-1	-0.887	-0.927	25.328	41.108	41.108	0.000	0.000	0.000	0.000
487	B	29	TYR	0	-0.161	-0.100	23.732	-0.761	-0.761	0.000	0.000	0.000	0.000
488	B	30	VAL	0	0.011	0.010	26.043	-0.451	-0.451	0.000	0.000	0.000	0.000
489	B	31	VAL	0	-0.031	-0.016	24.886	0.601	0.601	0.000	0.000	0.000	0.000
490	B	32	ARG	1	0.956	0.976	24.959	-46.909	-46.909	0.000	0.000	0.000	0.000
491	B	33	ASP	-1	-0.877	-0.943	26.817	40.010	40.010	0.000	0.000	0.000	0.000
492	B	34	THR	0	-0.040	-0.039	24.910	-0.552	-0.552	0.000	0.000	0.000	0.000
493	B	35	ASP	-1	-0.821	-0.880	22.534	52.091	52.091	0.000	0.000	0.000	0.000
494	B	36	ILE	0	0.011	0.015	18.706	-2.081	-2.081	0.000	0.000	0.000	0.000
495	B	37	LEU	0	-0.050	-0.012	20.364	1.924	1.924	0.000	0.000	0.000	0.000
496	B	38	ALA	0	0.028	0.025	17.522	-0.400	-0.400	0.000	0.000	0.000	0.000
497	B	39	ALA	0	0.016	0.018	19.480	-0.370	-0.370	0.000	0.000	0.000	0.000
498	B	40	PHE	0	0.008	-0.005	13.647	0.459	0.459	0.000	0.000	0.000	0.000
499	B	41	ARG	1	0.836	0.915	18.618	-50.863	-50.863	0.000	0.000	0.000	0.000
500	B	42	MET	0	-0.003	0.008	16.400	3.961	3.961	0.000	0.000	0.000	0.000
501	B	43	THR	0	0.017	0.007	17.502	-4.406	-4.406	0.000	0.000	0.000	0.000
502	B	44	PRO	0	0.027	0.019	17.151	4.268	4.268	0.000	0.000	0.000	0.000
503	B	45	GLN	0	-0.011	0.001	13.824	-7.885	-7.885	0.000	0.000	0.000	0.000
504	B	46	PRO	0	0.030	-0.003	18.023	-1.179	-1.179	0.000	0.000	0.000	0.000
505	B	47	GLY	0	-0.008	0.002	20.434	1.562	1.562	0.000	0.000	0.000	0.000
506	B	48	VAL	0	-0.036	-0.005	16.072	1.191	1.191	0.000	0.000	0.000	0.000
507	B	49	PRO	0	-0.023	-0.011	18.628	-1.325	-1.325	0.000	0.000	0.000	0.000
508	B	50	PRO	0	0.077	0.033	19.183	3.700	3.700	0.000	0.000	0.000	0.000
509	B	51	GLU	-1	-0.867	-0.945	19.449	55.052	55.052	0.000	0.000	0.000	0.000
510	B	52	GLU	-1	-0.772	-0.897	13.897	78.946	78.946	0.000	0.000	0.000	0.000
511	B	53	CYS	0	-0.029	-0.007	15.044	5.846	5.846	0.000	0.000	0.000	0.000
512	B	54	GLY	0	0.043	0.009	14.601	4.004	4.004	0.000	0.000	0.000	0.000
513	B	55	ALA	0	-0.021	-0.011	15.460	1.878	1.878	0.000	0.000	0.000	0.000
514	B	56	ALA	0	0.005	0.008	11.115	3.786	3.786	0.000	0.000	0.000	0.000
515	B	57	VAL	0	0.014	0.012	10.605	8.082	8.082	0.000	0.000	0.000	0.000
516	B	58	ALA	0	0.020	0.028	11.402	3.270	3.270	0.000	0.000	0.000	0.000
517	B	59	ALA	0	-0.009	0.008	10.054	1.338	1.338	0.000	0.000	0.000	0.000
519	B	61	SER	0	-0.039	0.003	7.123	4.652	4.652	0.000	0.000	0.000	0.000
520	B	62	SER	0	-0.026	-0.039	9.777	-6.761	-6.761	0.000	0.000	0.000	0.000
521	B	63	THR	0	-0.012	-0.007	9.855	1.989	1.989	0.000	0.000	0.000	0.000
522	B	64	GLY	0	-0.003	0.009	8.020	2.163	2.163	0.000	0.000	0.000	0.000
526	B	68	THR	0	-0.055	-0.023	6.673	4.568	4.568	0.000	0.000	0.000	0.000
527	B	69	VAL	0	0.034	0.011	5.849	1.046	1.046	0.000	0.000	0.000	0.000
528	B	70	TRP	0	-0.047	-0.038	8.893	-8.758	-8.758	0.000	0.000	0.000	0.000
529	B	71	THR	0	-0.046	-0.078	9.668	-5.375	-5.375	0.000	0.000	0.000	0.000
530	B	72	ASP	-1	-0.850	-0.935	10.718	86.128	86.128	0.000	0.000	0.000	0.000
531	B	73	GLY	0	-0.053	-0.022	13.033	-3.581	-3.581	0.000	0.000	0.000	0.000
532	B	74	LEU	0	-0.089	-0.036	15.265	-3.739	-3.739	0.000	0.000	0.000	0.000
533	B	75	THR	0	-0.047	-0.030	14.395	-3.362	-3.362	0.000	0.000	0.000	0.000
534	B	76	SER	0	-0.007	0.000	17.380	-1.215	-1.215	0.000	0.000	0.000	0.000
535	B	77	LEU	0	0.069	0.015	12.003	-0.668	-0.668	0.000	0.000	0.000	0.000
536	B	78	ASP	-1	-0.933	-0.959	16.103	55.325	55.325	0.000	0.000	0.000	0.000
537	B	79	ARG	1	0.867	0.946	19.385	-52.298	-52.298	0.000	0.000	0.000	0.000
538	B	80	TYR	0	-0.014	-0.012	15.071	-1.158	-1.158	0.000	0.000	0.000	0.000
539	B	81	LYS	1	0.861	0.946	14.526	-59.566	-59.566	0.000	0.000	0.000	0.000
540	B	82	GLY	0	0.059	0.028	14.488	-3.937	-3.937	0.000	0.000	0.000	0.000
541	B	83	ARG	1	0.842	0.920	16.068	-54.004	-54.004	0.000	0.000	0.000	0.000
542	B	84	CYS	0	0.020	0.010	17.651	-1.343	-1.343	0.000	0.000	0.000	0.000
543	B	85	TYR	0	-0.015	-0.021	19.309	-0.481	-0.481	0.000	0.000	0.000	0.000
544	B	86	ASP	-1	-0.851	-0.929	22.607	43.112	43.112	0.000	0.000	0.000	0.000
545	B	87	ILE	0	-0.066	-0.031	20.809	2.908	2.908	0.000	0.000	0.000	0.000
546	B	88	GLU	-1	-0.827	-0.904	24.137	41.613	41.613	0.000	0.000	0.000	0.000
547	B	89	PRO	0	0.006	0.008	25.501	1.871	1.871	0.000	0.000	0.000	0.000
548	B	90	VAL	0	-0.010	-0.004	25.102	-0.943	-0.943	0.000	0.000	0.000	0.000
549	B	91	PRO	0	-0.013	-0.003	28.113	-0.462	-0.462	0.000	0.000	0.000	0.000
550	B	92	GLY	0	-0.014	-0.019	30.981	0.058	0.058	0.000	0.000	0.000	0.000
551	B	93	GLU	-1	-0.905	-0.949	26.300	44.409	44.409	0.000	0.000	0.000	0.000
552	B	94	ASP	-1	-0.919	-0.950	27.550	41.290	41.290	0.000	0.000	0.000	0.000
553	B	95	ASN	0	-0.089	-0.061	20.960	0.274	0.274	0.000	0.000	0.000	0.000
554	B	96	GLN	0	0.069	0.032	22.061	1.856	1.856	0.000	0.000	0.000	0.000
555	B	97	TYR	0	0.012	-0.004	21.616	-2.369	-2.369	0.000	0.000	0.000	0.000
556	B	98	ILE	0	-0.031	-0.009	21.602	2.467	2.467	0.000	0.000	0.000	0.000
557	B	99	ALA	0	0.009	0.009	18.435	-1.209	-1.209	0.000	0.000	0.000	0.000
558	B	100	TYR	0	-0.028	-0.013	19.850	1.436	1.436	0.000	0.000	0.000	0.000
559	B	101	VAL	0	0.007	-0.003	15.542	0.684	0.684	0.000	0.000	0.000	0.000
560	B	102	ALA	0	-0.018	-0.002	18.916	-1.540	-1.540	0.000	0.000	0.000	0.000
561	B	103	TYR	0	-0.020	-0.052	13.293	0.807	0.807	0.000	0.000	0.000	0.000
562	B	104	HYP	0	-0.001	0.003	17.192	-3.192	-3.192	0.000	0.000	0.000	0.000
563	B	105	ILE	0	0.059	0.017	18.569	2.258	2.258	0.000	0.000	0.000	0.000
564	B	106	ASP	-1	-0.898	-0.958	18.649	53.706	53.706	0.000	0.000	0.000	0.000
565	B	107	LEU	0	-0.085	-0.045	13.634	1.845	1.845	0.000	0.000	0.000	0.000
566	B	108	PHE	0	-0.023	0.006	14.590	4.317	4.317	0.000	0.000	0.000	0.000
567	B	109	GLU	-1	-0.796	-0.885	16.195	58.350	58.350	0.000	0.000	0.000	0.000
568	B	110	GLU	-1	-0.788	-0.884	17.882	51.567	51.567	0.000	0.000	0.000	0.000
569	B	111	GLY	0	0.034	0.025	21.324	0.254	0.254	0.000	0.000	0.000	0.000
570	B	112	SER	0	-0.014	-0.002	16.364	0.120	0.120	0.000	0.000	0.000	0.000
571	B	113	VAL	0	0.032	0.014	17.546	2.124	2.124	0.000	0.000	0.000	0.000
572	B	114	THR	0	0.003	0.001	13.565	1.990	1.990	0.000	0.000	0.000	0.000
573	B	115	ASN	0	-0.001	0.002	12.368	2.471	2.471	0.000	0.000	0.000	0.000
574	B	116	MET	0	-0.006	0.010	12.845	3.439	3.439	0.000	0.000	0.000	0.000
575	B	117	PHE	0	-0.003	-0.017	12.706	2.204	2.204	0.000	0.000	0.000	0.000
576	B	118	THR	0	0.000	0.016	8.030	3.289	3.289	0.000	0.000	0.000	0.000
577	B	119	SER	0	0.001	0.002	8.330	11.858	11.858	0.000	0.000	0.000	0.000
578	B	120	ILE	0	-0.030	-0.001	9.714	5.223	5.223	0.000	0.000	0.000	0.000
579	B	121	VAL	0	-0.014	-0.022	10.497	0.051	0.051	0.000	0.000	0.000	0.000
580	B	122	GLY	0	0.022	0.030	6.678	2.870	2.870	0.000	0.000	0.000	0.000
583	B	125	PHE	0	0.018	0.013	8.267	-3.554	-3.554	0.000	0.000	0.000	0.000
584	B	126	GLY	0	0.033	0.009	5.961	-7.211	-7.211	0.000	0.000	0.000	0.000
585	B	127	PHE	0	-0.010	0.010	5.118	4.388	4.388	0.000	0.000	0.000	0.000
586	B	128	LYS	1	0.833	0.917	8.387	-119.874	-119.874	0.000	0.000	0.000	0.000
587	B	129	ALA	0	-0.004	0.006	10.388	-7.523	-7.523	0.000	0.000	0.000	0.000
588	B	130	LEU	0	-0.041	-0.017	11.497	-6.751	-6.751	0.000	0.000	0.000	0.000
589	B	131	ARG	1	0.831	0.895	12.928	-58.760	-58.760	0.000	0.000	0.000	0.000
590	B	132	ALA	0	-0.002	-0.004	14.700	-0.073	-0.073	0.000	0.000	0.000	0.000
591	B	133	LEU	0	-0.019	-0.007	12.405	-0.430	-0.430	0.000	0.000	0.000	0.000
592	B	134	ARG	1	0.838	0.922	15.404	-51.021	-51.021	0.000	0.000	0.000	0.000
593	B	135	LEU	0	-0.042	0.003	15.557	-1.493	-1.493	0.000	0.000	0.000	0.000
594	B	136	GLU	-1	-0.789	-0.908	17.683	48.614	48.614	0.000	0.000	0.000	0.000
595	B	137	ASP	-1	-0.791	-0.915	20.994	44.275	44.275	0.000	0.000	0.000	0.000
596	B	138	LEU	0	-0.004	-0.009	17.413	2.614	2.614	0.000	0.000	0.000	0.000
597	B	139	ARG	1	0.863	0.954	21.561	-47.668	-47.668	0.000	0.000	0.000	0.000
598	B	140	ILE	0	0.012	-0.017	21.251	1.771	1.771	0.000	0.000	0.000	0.000
599	B	141	PRO	0	0.015	0.033	23.466	-2.085	-2.085	0.000	0.000	0.000	0.000
600	B	142	PRO	0	0.123	0.047	26.531	0.835	0.835	0.000	0.000	0.000	0.000
601	B	143	ALA	0	-0.029	-0.017	26.850	-0.099	-0.099	0.000	0.000	0.000	0.000
602	B	144	TYR	0	-0.004	-0.025	18.842	0.483	0.483	0.000	0.000	0.000	0.000
603	B	145	VAL	0	0.025	0.020	24.721	0.501	0.501	0.000	0.000	0.000	0.000
604	B	146	LYS	1	0.935	0.953	26.797	-36.398	-36.398	0.000	0.000	0.000	0.000
605	B	147	THR	0	-0.090	-0.037	23.894	-0.100	-0.100	0.000	0.000	0.000	0.000
606	B	148	PHE	0	-0.010	-0.005	20.660	0.845	0.845	0.000	0.000	0.000	0.000
607	B	149	VAL	0	-0.019	0.001	26.341	-1.281	-1.281	0.000	0.000	0.000	0.000
608	B	150	GLY	0	0.025	0.019	27.614	-1.298	-1.298	0.000	0.000	0.000	0.000
609	B	151	HYP	0	-0.051	-0.045	28.788	-0.015	-0.015	0.000	0.000	0.000	0.000
610	B	152	PRO	0	-0.035	0.000	30.599	-0.648	-0.648	0.000	0.000	0.000	0.000
611	B	153	HIS	0	-0.053	-0.038	33.390	-1.520	-1.520	0.000	0.000	0.000	0.000
612	B	154	GLY	0	0.038	0.020	35.177	-0.196	-0.196	0.000	0.000	0.000	0.000
613	B	155	ILE	0	-0.022	-0.018	36.009	-0.860	-0.860	0.000	0.000	0.000	0.000
614	B	156	GLN	0	-0.045	-0.017	38.582	-0.220	-0.220	0.000	0.000	0.000	0.000
615	B	157	VAL	0	0.059	0.032	39.470	-0.616	-0.616	0.000	0.000	0.000	0.000
616	B	158	GLU	-1	-0.819	-0.888	38.001	30.740	30.740	0.000	0.000	0.000	0.000
617	B	159	ARG	1	0.829	0.896	40.842	-28.137	-28.137	0.000	0.000	0.000	0.000
618	B	160	ASP	-1	-0.821	-0.900	43.956	25.867	25.867	0.000	0.000	0.000	0.000
619	B	161	LYS	1	0.824	0.925	40.684	-29.673	-29.673	0.000	0.000	0.000	0.000
620	B	162	LEU	0	-0.020	-0.013	41.617	-0.514	-0.514	0.000	0.000	0.000	0.000
621	B	163	ASN	0	-0.025	-0.005	45.854	-0.433	-0.433	0.000	0.000	0.000	0.000
622	B	164	LYS	1	0.763	0.891	45.198	-25.952	-25.952	0.000	0.000	0.000	0.000
623	B	165	TYR	0	-0.020	-0.032	46.649	0.447	0.447	0.000	0.000	0.000	0.000
624	B	166	GLY	0	0.022	0.020	48.157	-0.445	-0.445	0.000	0.000	0.000	0.000
625	B	167	ARG	1	0.783	0.884	46.504	-25.652	-25.652	0.000	0.000	0.000	0.000
626	B	168	GLY	0	0.038	0.035	43.542	0.390	0.390	0.000	0.000	0.000	0.000
627	B	169	LEU	0	-0.023	-0.015	40.593	-0.609	-0.609	0.000	0.000	0.000	0.000
628	B	170	LEU	0	0.008	0.002	42.156	0.375	0.375	0.000	0.000	0.000	0.000
629	B	171	GLY	0	0.046	0.004	39.844	-0.116	-0.116	0.000	0.000	0.000	0.000
630	B	172	CYS	0	-0.044	-0.011	39.735	-0.398	-0.398	0.000	0.000	0.000	0.000
631	B	173	THR	0	0.099	0.029	34.584	-0.184	-0.184	0.000	0.000	0.000	0.000
632	B	174	ILE	0	-0.011	-0.008	37.671	-0.695	-0.695	0.000	0.000	0.000	0.000
633	B	175	LYS	1	0.819	0.909	34.675	-32.073	-32.073	0.000	0.000	0.000	0.000
634	B	176	PRO	0	0.049	0.045	38.261	-0.840	-0.840	0.000	0.000	0.000	0.000
635	B	177	LYS	1	0.773	0.890	30.543	-36.419	-36.419	0.000	0.000	0.000	0.000
636	B	178	LEU	0	-0.019	-0.007	30.618	0.055	0.055	0.000	0.000	0.000	0.000
637	B	179	GLY	0	0.053	0.018	35.258	-0.579	-0.579	0.000	0.000	0.000	0.000
638	B	180	LEU	0	-0.041	0.001	38.249	-0.975	-0.975	0.000	0.000	0.000	0.000
639	B	181	SER	0	0.052	0.019	39.707	0.420	0.420	0.000	0.000	0.000	0.000
640	B	182	ALA	0	0.094	0.031	41.179	-0.087	-0.087	0.000	0.000	0.000	0.000
641	B	183	LYS	1	0.942	0.978	42.122	-23.786	-23.786	0.000	0.000	0.000	0.000
642	B	184	ASN	0	-0.004	-0.021	44.402	-0.867	-0.867	0.000	0.000	0.000	0.000
643	B	185	TYR	0	0.091	0.049	36.446	-0.179	-0.179	0.000	0.000	0.000	0.000
644	B	186	GLY	0	0.052	0.028	42.621	-0.033	-0.033	0.000	0.000	0.000	0.000
645	B	187	ARG	1	0.896	0.950	44.955	-24.125	-24.125	0.000	0.000	0.000	0.000
646	B	188	ALA	0	-0.002	-0.001	43.793	-0.377	-0.377	0.000	0.000	0.000	0.000
647	B	189	VAL	0	0.071	0.026	41.949	-0.230	-0.230	0.000	0.000	0.000	0.000
648	B	190	TYR	0	-0.075	-0.074	44.712	-0.284	-0.284	0.000	0.000	0.000	0.000
649	B	191	GLU	-1	-0.912	-0.961	48.288	22.577	22.577	0.000	0.000	0.000	0.000
650	B	192	CYS	0	-0.054	-0.029	43.746	-0.323	-0.323	0.000	0.000	0.000	0.000
651	B	193	LEU	0	0.026	0.017	43.852	-0.314	-0.314	0.000	0.000	0.000	0.000
652	B	194	ARG	1	0.741	0.838	47.514	-22.408	-22.408	0.000	0.000	0.000	0.000
653	B	195	GLY	0	-0.031	-0.014	50.260	-0.464	-0.464	0.000	0.000	0.000	0.000
654	B	196	GLY	0	0.015	0.010	50.075	-0.247	-0.247	0.000	0.000	0.000	0.000
655	B	197	LEU	0	-0.034	-0.009	43.830	0.133	0.133	0.000	0.000	0.000	0.000
656	B	198	ASP	-1	-0.763	-0.849	43.676	25.784	25.784	0.000	0.000	0.000	0.000
657	B	199	PHE	0	0.015	-0.006	39.871	0.037	0.037	0.000	0.000	0.000	0.000
658	B	200	THR	0	-0.027	-0.041	40.495	-0.528	-0.528	0.000	0.000	0.000	0.000
659	B	201	KCX	-1	-0.549	-0.821	32.213	36.210	36.210	0.000	0.000	0.000	0.000
660	B	202	ASP	-1	-0.707	-0.833	33.638	31.953	31.953	0.000	0.000	0.000	0.000
661	B	203	ASP	0	0.191	0.043	32.962	0.362	0.362	0.000	0.000	0.000	0.000
662	B	204	GLU	0	0.154	-0.028	27.333	-0.068	-0.068	0.000	0.000	0.000	0.000
663	B	476	merge:B:AS	-1	-2.081	-1.441	27.165	35.590	35.590	0.000	0.000	0.000	0.000
664	B	205	ASN	0	-0.001	-0.004	27.728	-0.110	-0.110	0.000	0.000	0.000	0.000
665	B	206	VAL	0	-0.044	0.000	28.787	-0.264	-0.264	0.000	0.000	0.000	0.000
666	B	207	ASN	0	-0.030	-0.014	27.034	1.534	1.534	0.000	0.000	0.000	0.000
667	B	208	SER	0	0.026	0.009	30.525	-1.854	-1.854	0.000	0.000	0.000	0.000
668	B	209	GLN	0	0.019	-0.004	30.281	0.366	0.366	0.000	0.000	0.000	0.000
669	B	210	PRO	0	-0.001	0.003	32.863	-1.051	-1.051	0.000	0.000	0.000	0.000
670	B	211	PHE	0	-0.035	-0.004	33.634	-0.976	-0.976	0.000	0.000	0.000	0.000
671	B	212	MET	0	-0.075	-0.018	36.429	-1.244	-1.244	0.000	0.000	0.000	0.000
672	B	213	ARG	1	0.849	0.926	32.878	-32.501	-32.501	0.000	0.000	0.000	0.000
673	B	214	TRP	0	0.039	0.001	33.596	-0.951	-0.951	0.000	0.000	0.000	0.000
674	B	215	ARG	1	0.981	0.995	35.922	-28.969	-28.969	0.000	0.000	0.000	0.000
675	B	216	ASP	-1	-0.891	-0.945	38.757	27.648	27.648	0.000	0.000	0.000	0.000
676	B	217	ARG	1	0.780	0.859	33.571	-33.692	-33.692	0.000	0.000	0.000	0.000
677	B	218	PHE	0	0.006	-0.006	34.211	-0.600	-0.600	0.000	0.000	0.000	0.000
678	B	219	LEU	0	0.022	0.009	40.160	-0.467	-0.467	0.000	0.000	0.000	0.000
679	B	220	PHE	0	-0.004	-0.009	43.702	-0.665	-0.665	0.000	0.000	0.000	0.000
680	B	221	VAL	0	-0.002	0.000	40.264	-0.523	-0.523	0.000	0.000	0.000	0.000
681	B	222	ALA	0	0.018	0.018	43.375	-0.291	-0.291	0.000	0.000	0.000	0.000
682	B	223	GLU	-1	-0.981	-0.987	44.927	23.188	23.188	0.000	0.000	0.000	0.000
683	B	224	ALA	0	-0.029	-0.022	45.701	-0.540	-0.540	0.000	0.000	0.000	0.000
684	B	225	ILE	0	0.012	0.007	42.088	-0.370	-0.370	0.000	0.000	0.000	0.000
685	B	226	TYR	0	-0.031	-0.031	46.077	-0.483	-0.483	0.000	0.000	0.000	0.000
686	B	227	LYS	1	0.912	0.978	49.773	-22.551	-22.551	0.000	0.000	0.000	0.000
687	B	228	ALA	0	0.031	0.006	48.976	-0.475	-0.475	0.000	0.000	0.000	0.000
688	B	229	GLN	0	0.018	0.026	48.623	0.153	0.153	0.000	0.000	0.000	0.000
689	B	230	ALA	0	-0.019	-0.006	51.334	-0.362	-0.362	0.000	0.000	0.000	0.000
690	B	231	GLU	-1	-0.843	-0.890	54.294	21.557	21.557	0.000	0.000	0.000	0.000
691	B	232	THR	0	-0.013	-0.023	52.141	-0.250	-0.250	0.000	0.000	0.000	0.000
692	B	233	GLY	0	-0.010	0.007	54.598	-0.293	-0.293	0.000	0.000	0.000	0.000
693	B	234	GLU	-1	-0.776	-0.872	50.467	23.554	23.554	0.000	0.000	0.000	0.000
694	B	235	VAL	0	0.017	0.007	45.994	0.057	0.057	0.000	0.000	0.000	0.000
695	B	236	LYS	1	0.854	0.945	45.943	-24.517	-24.517	0.000	0.000	0.000	0.000
696	B	237	GLY	0	0.021	-0.002	42.043	0.110	0.110	0.000	0.000	0.000	0.000
697	B	238	HIS	0	-0.019	-0.008	37.572	-0.864	-0.864	0.000	0.000	0.000	0.000
698	B	239	TYR	0	-0.018	-0.018	34.463	-0.124	-0.124	0.000	0.000	0.000	0.000
699	B	240	LEU	0	-0.023	-0.004	35.502	0.255	0.255	0.000	0.000	0.000	0.000
700	B	241	ASN	0	0.014	-0.001	28.955	1.216	1.216	0.000	0.000	0.000	0.000
701	B	242	ALA	0	-0.016	-0.006	29.889	-0.480	-0.480	0.000	0.000	0.000	0.000
702	B	243	THR	0	-0.001	0.007	24.437	1.202	1.202	0.000	0.000	0.000	0.000
703	B	244	ALA	0	0.002	-0.004	25.276	-1.275	-1.275	0.000	0.000	0.000	0.000
704	B	245	GLY	0	0.030	0.014	23.058	1.703	1.703	0.000	0.000	0.000	0.000
705	B	246	THR	0	0.021	0.015	22.095	1.629	1.629	0.000	0.000	0.000	0.000
706	B	248	GLU	-1	-0.822	-0.902	25.021	43.586	43.586	0.000	0.000	0.000	0.000
707	B	249	GLU	-1	-0.834	-0.905	27.502	34.923	34.923	0.000	0.000	0.000	0.000
708	B	250	MET	0	-0.018	0.012	25.578	-0.914	-0.914	0.000	0.000	0.000	0.000
709	B	251	MET	0	-0.004	-0.007	27.584	-1.662	-1.662	0.000	0.000	0.000	0.000
710	B	252	LYS	1	0.850	0.912	30.735	-36.404	-36.404	0.000	0.000	0.000	0.000
711	B	253	ARG	1	0.738	0.857	29.727	-38.884	-38.884	0.000	0.000	0.000	0.000
712	B	254	ALA	0	0.042	0.021	32.042	-0.999	-0.999	0.000	0.000	0.000	0.000
713	B	255	VAL	0	-0.002	0.002	33.990	-0.894	-0.894	0.000	0.000	0.000	0.000
714	B	256	SMC	0	-0.054	-0.010	36.588	-1.009	-1.009	0.000	0.000	0.000	0.000
715	B	257	ALA	0	0.044	0.011	36.997	-0.853	-0.853	0.000	0.000	0.000	0.000
716	B	258	LYS	1	0.900	0.943	38.278	-30.533	-30.533	0.000	0.000	0.000	0.000
717	B	259	GLU	-1	-1.016	-1.014	39.979	28.377	28.377	0.000	0.000	0.000	0.000
718	B	260	LEU	0	-0.065	-0.023	41.005	-0.788	-0.788	0.000	0.000	0.000	0.000
719	B	261	GLY	0	0.015	0.021	43.204	-0.628	-0.628	0.000	0.000	0.000	0.000
720	B	262	VAL	0	-0.035	-0.012	39.988	-0.308	-0.308	0.000	0.000	0.000	0.000
721	B	263	PRO	0	0.046	0.017	41.149	0.517	0.517	0.000	0.000	0.000	0.000
722	B	264	ILE	0	-0.030	-0.011	36.063	0.409	0.409	0.000	0.000	0.000	0.000
723	B	265	ILE	0	-0.013	0.007	31.863	-0.322	-0.322	0.000	0.000	0.000	0.000
724	B	266	MET	0	-0.051	-0.015	29.881	-0.397	-0.397	0.000	0.000	0.000	0.000
725	B	267	HIS	0	-0.030	-0.029	22.905	0.373	0.373	0.000	0.000	0.000	0.000
726	B	268	ASP	-1	-0.767	-0.897	24.052	41.843	41.843	0.000	0.000	0.000	0.000
727	B	269	TYR	0	-0.057	-0.045	21.596	1.471	1.471	0.000	0.000	0.000	0.000
728	B	270	LEU	0	-0.024	-0.002	17.898	2.189	2.189	0.000	0.000	0.000	0.000
729	B	271	THR	0	-0.031	-0.017	17.841	2.484	2.484	0.000	0.000	0.000	0.000
730	B	272	GLY	0	0.013	0.015	19.200	1.016	1.016	0.000	0.000	0.000	0.000
731	B	273	GLY	0	0.001	-0.009	17.926	1.957	1.957	0.000	0.000	0.000	0.000
732	B	274	PHE	0	0.069	0.008	16.458	-3.227	-3.227	0.000	0.000	0.000	0.000
733	B	275	THR	0	-0.007	0.022	17.300	-1.335	-1.335	0.000	0.000	0.000	0.000
734	B	276	ALA	0	0.037	-0.001	19.607	-2.277	-2.277	0.000	0.000	0.000	0.000
735	B	277	ASN	0	0.043	0.018	21.936	-3.096	-3.096	0.000	0.000	0.000	0.000
736	B	278	THR	0	0.007	0.017	21.729	-1.875	-1.875	0.000	0.000	0.000	0.000
737	B	279	SER	0	-0.017	-0.017	23.881	-0.698	-0.698	0.000	0.000	0.000	0.000
738	B	280	LEU	0	-0.012	0.000	25.709	-1.884	-1.884	0.000	0.000	0.000	0.000
739	B	281	ALA	0	0.030	0.015	27.432	-1.799	-1.799	0.000	0.000	0.000	0.000
740	B	282	ILE	0	0.014	0.002	26.218	-1.335	-1.335	0.000	0.000	0.000	0.000
741	B	283	TYR	0	0.046	0.024	29.948	-1.576	-1.576	0.000	0.000	0.000	0.000
742	B	284	CYS	0	-0.043	-0.021	31.861	-1.388	-1.388	0.000	0.000	0.000	0.000
743	B	285	ARG	1	0.850	0.922	32.959	-36.249	-36.249	0.000	0.000	0.000	0.000
744	B	286	ASP	-1	-0.928	-0.957	33.313	33.699	33.699	0.000	0.000	0.000	0.000
745	B	287	ASN	0	-0.120	-0.064	35.249	-1.792	-1.792	0.000	0.000	0.000	0.000
746	B	288	GLY	0	-0.028	0.005	37.822	-0.731	-0.731	0.000	0.000	0.000	0.000
747	B	289	LEU	0	-0.021	-0.011	35.746	-0.564	-0.564	0.000	0.000	0.000	0.000
748	B	290	LEU	0	-0.018	-0.011	36.068	0.611	0.611	0.000	0.000	0.000	0.000
749	B	291	LEU	0	0.009	-0.008	28.633	0.018	0.018	0.000	0.000	0.000	0.000
750	B	292	HIS	0	0.004	-0.008	31.611	-0.031	-0.031	0.000	0.000	0.000	0.000
751	B	293	ILE	0	0.025	0.015	25.919	0.644	0.644	0.000	0.000	0.000	0.000
752	B	294	HIS	0	0.591	0.515	27.121	0.567	0.567	0.000	0.000	0.000	0.000
753	B	295	ARG	1	0.774	0.854	24.105	-39.521	-39.521	0.000	0.000	0.000	0.000
754	B	296	ALA	0	0.027	0.011	23.373	1.350	1.350	0.000	0.000	0.000	0.000
755	B	297	MET	0	-0.002	-0.012	14.845	1.450	1.450	0.000	0.000	0.000	0.000
756	B	298	HIS	1	0.847	0.899	19.457	-43.798	-43.798	0.000	0.000	0.000	0.000
757	B	299	ALA	0	0.012	0.027	20.248	1.523	1.523	0.000	0.000	0.000	0.000
758	B	300	VAL	0	-0.027	-0.001	16.090	0.351	0.351	0.000	0.000	0.000	0.000
759	B	301	ILE	0	-0.033	-0.019	15.052	2.684	2.684	0.000	0.000	0.000	0.000
760	B	302	ASP	-1	-0.802	-0.895	17.345	49.810	49.810	0.000	0.000	0.000	0.000
761	B	303	ARG	1	0.808	0.911	20.554	-43.914	-43.914	0.000	0.000	0.000	0.000
762	B	304	GLN	0	-0.034	-0.026	19.900	-2.354	-2.354	0.000	0.000	0.000	0.000
763	B	305	ARG	1	0.854	0.923	21.160	-41.868	-41.868	0.000	0.000	0.000	0.000
764	B	306	ASN	0	-0.014	-0.023	19.104	-0.001	-0.001	0.000	0.000	0.000	0.000
765	B	307	HIS	0	-0.023	-0.024	11.992	-0.491	-0.491	0.000	0.000	0.000	0.000
766	B	308	GLY	0	0.052	0.042	15.236	-1.977	-1.977	0.000	0.000	0.000	0.000
767	B	309	ILE	0	-0.028	-0.028	13.918	1.743	1.743	0.000	0.000	0.000	0.000
768	B	310	HIS	0	0.028	0.024	17.897	-1.064	-1.064	0.000	0.000	0.000	0.000
769	B	311	PHE	0	0.066	0.017	21.459	0.734	0.734	0.000	0.000	0.000	0.000
770	B	312	ARG	1	0.909	0.953	23.367	-46.045	-46.045	0.000	0.000	0.000	0.000
771	B	313	VAL	0	-0.015	0.005	18.309	-0.642	-0.642	0.000	0.000	0.000	0.000
772	B	314	LEU	0	-0.013	-0.007	17.815	0.478	0.478	0.000	0.000	0.000	0.000
773	B	315	ALA	0	0.004	0.019	21.316	-0.552	-0.552	0.000	0.000	0.000	0.000
774	B	316	LYS	1	0.823	0.896	23.011	-46.783	-46.783	0.000	0.000	0.000	0.000
775	B	317	ALA	0	0.029	0.008	19.781	-0.478	-0.478	0.000	0.000	0.000	0.000
776	B	318	LEU	0	-0.013	0.008	21.669	-0.086	-0.086	0.000	0.000	0.000	0.000
777	B	319	ARG	1	0.786	0.899	24.234	-38.411	-38.411	0.000	0.000	0.000	0.000
778	B	320	MET	0	-0.023	-0.010	21.217	-0.771	-0.771	0.000	0.000	0.000	0.000
779	B	321	SER	0	-0.066	-0.040	21.969	-0.672	-0.672	0.000	0.000	0.000	0.000
780	B	322	GLY	0	0.028	0.005	23.924	-0.722	-0.722	0.000	0.000	0.000	0.000
781	B	323	GLY	0	0.027	-0.016	27.388	0.732	0.732	0.000	0.000	0.000	0.000
782	B	324	ASP	-1	-0.731	-0.853	29.678	34.070	34.070	0.000	0.000	0.000	0.000
783	B	325	HIS	1	0.746	0.860	32.383	-33.663	-33.663	0.000	0.000	0.000	0.000
784	B	326	LEU	0	0.039	0.016	26.087	1.181	1.181	0.000	0.000	0.000	0.000
785	B	327	HIS	0	0.022	0.039	28.871	-1.203	-1.203	0.000	0.000	0.000	0.000
786	B	328	SER	0	0.026	-0.001	28.931	1.122	1.122	0.000	0.000	0.000	0.000
787	B	329	GLY	0	0.031	0.021	30.972	0.505	0.505	0.000	0.000	0.000	0.000
788	B	330	THR	0	0.026	0.006	32.052	-0.799	-0.799	0.000	0.000	0.000	0.000
789	B	331	VAL	0	0.037	0.051	34.518	-1.013	-1.013	0.000	0.000	0.000	0.000
790	B	332	VAL	0	-0.018	-0.029	36.086	0.052	0.052	0.000	0.000	0.000	0.000
791	B	333	GLY	0	0.002	0.017	36.705	-0.617	-0.617	0.000	0.000	0.000	0.000
792	B	334	LYS	1	0.778	0.872	32.958	-33.466	-33.466	0.000	0.000	0.000	0.000
793	B	335	LEU	0	-0.017	-0.004	28.865	0.582	0.582	0.000	0.000	0.000	0.000
794	B	336	GLU	-1	-0.771	-0.879	28.023	39.917	39.917	0.000	0.000	0.000	0.000
795	B	337	GLY	0	0.024	-0.003	29.596	1.030	1.030	0.000	0.000	0.000	0.000
796	B	338	GLU	-1	-0.884	-0.944	31.165	33.375	33.375	0.000	0.000	0.000	0.000
797	B	339	ARG	1	0.888	0.916	33.364	-28.926	-28.926	0.000	0.000	0.000	0.000
798	B	340	GLU	-1	-0.843	-0.921	35.108	31.999	31.999	0.000	0.000	0.000	0.000
799	B	341	VAL	0	-0.047	-0.016	28.726	0.670	0.670	0.000	0.000	0.000	0.000
800	B	342	ILE	0	-0.048	-0.023	31.116	0.671	0.671	0.000	0.000	0.000	0.000
801	B	343	LEU	0	-0.015	-0.017	32.524	0.083	0.083	0.000	0.000	0.000	0.000
802	B	344	GLY	0	0.041	0.040	31.944	-0.279	-0.279	0.000	0.000	0.000	0.000
803	B	345	PHE	0	-0.026	-0.026	28.076	0.485	0.485	0.000	0.000	0.000	0.000
804	B	346	VAL	0	0.011	-0.003	30.096	0.306	0.306	0.000	0.000	0.000	0.000
805	B	347	ASP	-1	-0.851	-0.913	33.098	32.873	32.873	0.000	0.000	0.000	0.000
806	B	348	LEU	0	-0.091	-0.041	27.285	0.456	0.456	0.000	0.000	0.000	0.000
807	B	349	MET	0	-0.079	-0.014	29.230	0.718	0.718	0.000	0.000	0.000	0.000
808	B	350	ARG	1	0.839	0.915	31.023	-31.906	-31.906	0.000	0.000	0.000	0.000
809	B	351	ASP	-1	-0.872	-0.920	34.421	31.856	31.856	0.000	0.000	0.000	0.000
810	B	352	ASP	-1	-0.901	-0.957	33.890	34.609	34.609	0.000	0.000	0.000	0.000
811	B	353	TYR	0	0.003	-0.007	34.073	1.199	1.199	0.000	0.000	0.000	0.000
812	B	354	VAL	0	0.017	0.020	31.921	-0.644	-0.644	0.000	0.000	0.000	0.000
813	B	355	GLU	-1	-0.926	-0.967	32.596	33.858	33.858	0.000	0.000	0.000	0.000
814	B	356	LYS	1	0.921	0.958	30.583	-39.025	-39.025	0.000	0.000	0.000	0.000
815	B	357	ASP	-1	-0.790	-0.891	31.941	33.001	33.001	0.000	0.000	0.000	0.000
816	B	358	ARG	1	0.865	0.930	28.367	-41.886	-41.886	0.000	0.000	0.000	0.000
817	B	359	SER	0	-0.099	-0.046	31.958	0.496	0.496	0.000	0.000	0.000	0.000
818	B	360	ARG	1	0.994	0.989	33.044	-32.635	-32.635	0.000	0.000	0.000	0.000
819	B	361	GLY	0	-0.050	-0.036	28.976	0.802	0.802	0.000	0.000	0.000	0.000
820	B	362	ILE	0	-0.030	0.008	27.593	2.008	2.008	0.000	0.000	0.000	0.000
821	B	363	TYR	0	-0.047	-0.045	25.441	-0.932	-0.932	0.000	0.000	0.000	0.000
822	B	364	PHE	0	-0.048	-0.030	22.583	-0.183	-0.183	0.000	0.000	0.000	0.000
823	B	365	THR	0	0.037	0.021	28.060	-0.170	-0.170	0.000	0.000	0.000	0.000
824	B	366	GLN	0	-0.044	-0.016	26.353	2.881	2.881	0.000	0.000	0.000	0.000
825	B	367	ASP	-1	-0.847	-0.922	29.819	34.694	34.694	0.000	0.000	0.000	0.000
826	B	368	TRP	0	-0.022	-0.027	25.747	2.101	2.101	0.000	0.000	0.000	0.000
827	B	369	SMC	0	-0.051	-0.021	31.293	0.100	0.100	0.000	0.000	0.000	0.000
828	B	370	SER	0	-0.023	-0.025	33.599	-0.266	-0.266	0.000	0.000	0.000	0.000
829	B	371	MET	0	-0.057	0.005	27.248	-0.132	-0.132	0.000	0.000	0.000	0.000
830	B	372	PRO	0	0.023	0.021	32.648	-0.271	-0.271	0.000	0.000	0.000	0.000
831	B	373	GLY	0	0.057	0.036	32.613	1.149	1.149	0.000	0.000	0.000	0.000
832	B	374	VAL	0	-0.025	-0.024	29.591	-0.538	-0.538	0.000	0.000	0.000	0.000
833	B	375	MET	0	0.004	-0.001	32.951	-0.368	-0.368	0.000	0.000	0.000	0.000
834	B	376	PRO	0	-0.001	0.008	33.143	0.793	0.793	0.000	0.000	0.000	0.000
835	B	377	VAL	0	-0.021	-0.014	33.024	-1.230	-1.230	0.000	0.000	0.000	0.000
836	B	378	ALA	0	0.037	0.030	33.407	0.956	0.956	0.000	0.000	0.000	0.000
837	B	379	SER	0	-0.007	-0.033	33.436	-1.221	-1.221	0.000	0.000	0.000	0.000
838	B	380	GLY	0	0.081	0.038	33.812	0.829	0.829	0.000	0.000	0.000	0.000
839	B	381	GLY	0	-0.036	-0.029	35.115	0.038	0.038	0.000	0.000	0.000	0.000
840	B	382	ILE	0	-0.044	-0.007	37.932	-0.471	-0.471	0.000	0.000	0.000	0.000
841	B	383	HIS	0	0.016	-0.022	40.405	-0.569	-0.569	0.000	0.000	0.000	0.000
842	B	384	VAL	0	0.056	0.016	44.118	0.064	0.064	0.000	0.000	0.000	0.000
843	B	385	TRP	0	-0.082	-0.042	47.111	-0.431	-0.431	0.000	0.000	0.000	0.000
844	B	386	HIS	0	0.028	0.022	41.789	-0.104	-0.104	0.000	0.000	0.000	0.000
845	B	387	MET	0	-0.021	0.011	44.272	0.515	0.515	0.000	0.000	0.000	0.000
846	B	388	PRO	0	0.018	0.002	45.788	0.153	0.153	0.000	0.000	0.000	0.000
847	B	389	ALA	0	0.026	0.015	43.026	0.090	0.090	0.000	0.000	0.000	0.000
848	B	390	LEU	0	-0.005	0.005	39.458	0.468	0.468	0.000	0.000	0.000	0.000
849	B	391	VAL	0	0.008	-0.008	42.108	0.405	0.405	0.000	0.000	0.000	0.000
850	B	392	GLU	-1	-0.884	-0.925	44.166	27.871	27.871	0.000	0.000	0.000	0.000
851	B	393	ILE	0	-0.041	-0.004	38.093	0.250	0.250	0.000	0.000	0.000	0.000
852	B	394	PHE	0	-0.025	-0.013	35.248	0.520	0.520	0.000	0.000	0.000	0.000
853	B	395	GLY	0	0.022	0.024	40.344	0.162	0.162	0.000	0.000	0.000	0.000
854	B	396	ASP	-1	-0.831	-0.925	43.010	26.010	26.010	0.000	0.000	0.000	0.000
855	B	397	ASP	-1	-0.885	-0.936	39.668	28.943	28.943	0.000	0.000	0.000	0.000
856	B	398	ALA	0	0.047	0.008	38.225	0.978	0.978	0.000	0.000	0.000	0.000
857	B	399	CYS	0	-0.071	-0.010	37.255	-1.028	-1.028	0.000	0.000	0.000	0.000
858	B	400	LEU	0	0.012	0.007	37.820	0.698	0.698	0.000	0.000	0.000	0.000
859	B	401	GLN	0	0.038	0.007	34.575	-0.702	-0.702	0.000	0.000	0.000	0.000
860	B	402	PHE	0	0.020	0.004	38.854	0.291	0.291	0.000	0.000	0.000	0.000
861	B	403	GLY	0	0.064	0.034	38.849	-0.562	-0.562	0.000	0.000	0.000	0.000
862	B	404	GLY	0	0.040	-0.006	39.439	-0.790	-0.790	0.000	0.000	0.000	0.000
863	B	405	GLY	0	-0.034	-0.014	41.368	-0.695	-0.695	0.000	0.000	0.000	0.000
864	B	406	THR	0	-0.040	-0.031	43.402	-0.821	-0.821	0.000	0.000	0.000	0.000
865	B	407	LEU	0	-0.018	-0.027	41.546	-0.667	-0.667	0.000	0.000	0.000	0.000
866	B	408	GLY	0	0.033	0.018	44.941	-0.223	-0.223	0.000	0.000	0.000	0.000
867	B	409	HIS	0	-0.032	-0.002	45.932	-0.348	-0.348	0.000	0.000	0.000	0.000
868	B	410	PRO	0	0.003	-0.007	49.220	-0.092	-0.092	0.000	0.000	0.000	0.000
869	B	411	TRP	0	-0.055	-0.059	52.191	-0.400	-0.400	0.000	0.000	0.000	0.000
870	B	412	GLY	0	0.035	0.035	50.335	-0.279	-0.279	0.000	0.000	0.000	0.000
871	B	413	ASN	0	0.039	0.011	45.943	-0.011	-0.011	0.000	0.000	0.000	0.000
872	B	414	ALA	0	0.046	0.045	48.893	0.147	0.147	0.000	0.000	0.000	0.000
873	B	415	PRO	0	-0.010	-0.024	51.501	-0.017	-0.017	0.000	0.000	0.000	0.000
874	B	416	GLY	0	0.042	0.019	48.798	-0.018	-0.018	0.000	0.000	0.000	0.000
875	B	417	ALA	0	-0.026	-0.002	47.728	0.269	0.269	0.000	0.000	0.000	0.000
876	B	418	ALA	0	0.020	0.017	48.714	0.103	0.103	0.000	0.000	0.000	0.000
877	B	419	ALA	0	-0.043	-0.012	50.407	-0.132	-0.132	0.000	0.000	0.000	0.000
878	B	420	ASN	0	0.011	-0.005	45.766	-0.036	-0.036	0.000	0.000	0.000	0.000
879	B	421	ARG	1	0.742	0.861	48.313	-23.725	-23.725	0.000	0.000	0.000	0.000
880	B	422	VAL	0	-0.008	-0.007	49.896	-0.142	-0.142	0.000	0.000	0.000	0.000
881	B	423	ALA	0	-0.019	-0.009	49.252	-0.154	-0.154	0.000	0.000	0.000	0.000
882	B	424	LEU	0	0.042	0.014	45.726	-0.038	-0.038	0.000	0.000	0.000	0.000
883	B	425	GLU	-1	-0.753	-0.870	48.947	22.900	22.900	0.000	0.000	0.000	0.000
884	B	426	ALA	0	0.011	0.008	52.086	-0.263	-0.263	0.000	0.000	0.000	0.000
885	B	427	CYS	0	-0.051	-0.028	49.504	-0.171	-0.171	0.000	0.000	0.000	0.000
886	B	428	THR	0	0.004	-0.008	49.499	0.164	0.164	0.000	0.000	0.000	0.000
887	B	429	GLN	0	-0.025	-0.016	51.143	-0.375	-0.375	0.000	0.000	0.000	0.000
888	B	430	ALA	0	-0.011	-0.008	53.733	-0.216	-0.216	0.000	0.000	0.000	0.000
889	B	431	ARG	1	0.835	0.910	47.331	-25.205	-25.205	0.000	0.000	0.000	0.000
890	B	432	ASN	0	-0.018	-0.020	52.440	0.355	0.355	0.000	0.000	0.000	0.000
891	B	433	GLU	-1	-0.961	-0.978	54.619	20.559	20.559	0.000	0.000	0.000	0.000
892	B	434	GLY	0	-0.016	-0.001	55.772	-0.362	-0.362	0.000	0.000	0.000	0.000
893	B	435	ARG	1	0.864	0.946	55.330	-21.375	-21.375	0.000	0.000	0.000	0.000
894	B	436	ASP	-1	-0.834	-0.916	50.960	24.672	24.672	0.000	0.000	0.000	0.000
895	B	437	LEU	0	-0.020	-0.025	48.507	-0.129	-0.129	0.000	0.000	0.000	0.000
896	B	438	ALA	0	0.020	0.017	47.793	0.131	0.131	0.000	0.000	0.000	0.000
897	B	439	ARG	1	0.887	0.941	49.040	-23.410	-23.410	0.000	0.000	0.000	0.000
898	B	440	GLU	-1	-0.851	-0.933	52.429	21.379	21.379	0.000	0.000	0.000	0.000
899	B	441	GLY	0	0.034	0.022	50.617	-0.236	-0.236	0.000	0.000	0.000	0.000
900	B	442	GLY	0	-0.008	-0.020	51.649	-0.102	-0.102	0.000	0.000	0.000	0.000
901	B	443	ASP	-1	-0.866	-0.937	53.098	21.121	21.121	0.000	0.000	0.000	0.000
902	B	444	VAL	0	-0.040	-0.007	53.332	-0.404	-0.404	0.000	0.000	0.000	0.000
903	B	445	ILE	0	0.054	0.025	50.199	-0.276	-0.276	0.000	0.000	0.000	0.000
904	B	446	ARG	1	0.892	0.936	53.785	-22.332	-22.332	0.000	0.000	0.000	0.000
905	B	447	SER	0	-0.070	-0.031	56.800	-0.489	-0.489	0.000	0.000	0.000	0.000
906	B	448	ALA	0	0.032	0.025	55.105	-0.314	-0.314	0.000	0.000	0.000	0.000
907	B	449	CYS	0	-0.099	-0.066	50.602	0.233	0.233	0.000	0.000	0.000	0.000
908	B	450	LYS	1	0.900	0.952	57.040	-20.377	-20.377	0.000	0.000	0.000	0.000
909	B	451	TRP	0	-0.021	0.006	57.764	-0.243	-0.243	0.000	0.000	0.000	0.000
910	B	452	SER	0	0.009	0.019	56.790	-0.056	-0.056	0.000	0.000	0.000	0.000
911	B	453	PRO	0	0.050	0.009	57.885	0.220	0.220	0.000	0.000	0.000	0.000
912	B	454	GLU	-1	-0.819	-0.913	54.320	21.130	21.130	0.000	0.000	0.000	0.000
913	B	455	LEU	0	0.032	0.011	51.751	0.378	0.378	0.000	0.000	0.000	0.000
914	B	456	ALA	0	-0.008	-0.004	53.689	0.307	0.307	0.000	0.000	0.000	0.000
915	B	457	ALA	0	-0.048	-0.021	54.705	0.121	0.121	0.000	0.000	0.000	0.000
916	B	458	ALA	0	0.017	0.008	49.727	0.247	0.247	0.000	0.000	0.000	0.000
917	B	460	GLU	-1	-0.957	-0.975	52.038	22.135	22.135	0.000	0.000	0.000	0.000
918	B	461	VAL	0	0.021	0.021	48.515	0.109	0.109	0.000	0.000	0.000	0.000
919	B	462	TRP	0	-0.024	-0.026	45.353	0.201	0.201	0.000	0.000	0.000	0.000
920	B	463	LYS	1	0.920	0.973	47.708	-21.744	-21.744	0.000	0.000	0.000	0.000
921	B	464	GLU	-1	-0.935	-0.974	48.879	23.574	23.574	0.000	0.000	0.000	0.000
922	B	465	ILE	0	-0.065	-0.010	42.763	0.414	0.414	0.000	0.000	0.000	0.000
923	B	466	LYS	1	0.955	0.976	42.713	-25.989	-25.989	0.000	0.000	0.000	0.000
924	B	467	PHE	0	0.003	0.002	37.183	0.252	0.252	0.000	0.000	0.000	0.000
925	B	468	GLU	-1	-0.947	-0.975	38.464	28.438	28.438	0.000	0.000	0.000	0.000
926	B	469	PHE	0	0.030	0.003	34.571	-0.168	-0.168	0.000	0.000	0.000	0.000
927	B	470	ASP	-1	-0.832	-0.908	32.572	35.927	35.927	0.000	0.000	0.000	0.000
928	B	471	THR	0	-0.026	-0.003	30.587	0.483	0.483	0.000	0.000	0.000	0.000
929	B	472	ILE	0	-0.013	-0.010	25.398	-0.233	-0.233	0.000	0.000	0.000	0.000
930	B	473	ASP	-1	-0.816	-0.894	25.401	46.433	46.433	0.000	0.000	0.000	0.000
931	B	474	LYS	1	0.808	0.904	27.155	-37.791	-37.791	0.000	0.000	0.000	0.000
932	B	475	LEU	0	0.035	0.028	28.051	1.731	1.731	0.000	0.000	0.000	0.000
933	I	1	MME	1	0.822	0.908	19.213	-49.371	-49.371	0.000	0.000	0.000	0.000
934	I	2	MET	0	0.017	0.030	20.996	-1.869	-1.869	0.000	0.000	0.000	0.000
935	I	3	VAL	0	0.039	0.014	20.696	2.360	2.360	0.000	0.000	0.000	0.000
936	I	4	TRP	0	0.074	0.051	19.503	-1.860	-1.860	0.000	0.000	0.000	0.000
937	I	5	THR	0	0.010	0.002	21.602	0.022	0.022	0.000	0.000	0.000	0.000
938	I	6	PRO	0	0.025	0.020	23.687	0.756	0.756	0.000	0.000	0.000	0.000
939	I	7	VAL	0	-0.036	-0.016	24.788	-0.867	-0.867	0.000	0.000	0.000	0.000
940	I	8	ASN	0	-0.052	-0.030	28.440	0.114	0.114	0.000	0.000	0.000	0.000
941	I	9	ASN	0	0.022	-0.006	23.408	-1.695	-1.695	0.000	0.000	0.000	0.000
942	I	10	LYS	1	0.936	0.994	24.624	-39.743	-39.743	0.000	0.000	0.000	0.000
943	I	11	MET	0	-0.085	-0.034	21.458	-0.919	-0.919	0.000	0.000	0.000	0.000
944	I	12	PHE	0	-0.025	-0.045	24.260	-1.324	-1.324	0.000	0.000	0.000	0.000
945	I	13	GLU	-1	-0.773	-0.868	20.714	56.589	56.589	0.000	0.000	0.000	0.000
946	I	14	THR	0	-0.021	-0.013	21.516	1.220	1.220	0.000	0.000	0.000	0.000
947	I	15	PHE	0	-0.015	-0.006	21.789	-2.172	-2.172	0.000	0.000	0.000	0.000
948	I	16	SER	0	-0.060	-0.027	22.817	-1.278	-1.278	0.000	0.000	0.000	0.000
949	I	17	TYR	0	0.023	-0.015	18.629	-0.381	-0.381	0.000	0.000	0.000	0.000
950	I	18	LEU	0	-0.041	-0.015	21.211	0.508	0.508	0.000	0.000	0.000	0.000
951	I	19	PRO	0	-0.056	-0.037	23.898	-1.116	-1.116	0.000	0.000	0.000	0.000
952	I	20	PRO	0	-0.035	-0.021	27.475	0.307	0.307	0.000	0.000	0.000	0.000
953	I	21	LEU	0	0.027	0.029	27.403	-0.450	-0.450	0.000	0.000	0.000	0.000
954	I	22	THR	0	-0.005	-0.002	31.001	-1.431	-1.431	0.000	0.000	0.000	0.000
955	I	23	ASP	-1	-0.869	-0.951	34.190	32.354	32.354	0.000	0.000	0.000	0.000
956	I	24	GLU	-1	-0.985	-0.988	35.470	33.797	33.797	0.000	0.000	0.000	0.000
957	I	25	GLN	0	0.059	0.030	29.361	-0.188	-0.188	0.000	0.000	0.000	0.000
958	I	26	ILE	0	-0.007	-0.006	31.780	0.970	0.970	0.000	0.000	0.000	0.000
959	I	27	ALA	0	-0.015	-0.019	33.476	0.301	0.301	0.000	0.000	0.000	0.000
960	I	28	ALA	0	0.059	0.041	31.870	-0.046	-0.046	0.000	0.000	0.000	0.000
961	I	29	GLN	0	0.038	0.020	27.108	1.547	1.547	0.000	0.000	0.000	0.000
962	I	30	VAL	0	-0.029	-0.019	31.217	0.247	0.247	0.000	0.000	0.000	0.000
963	I	31	ASP	-1	-0.898	-0.950	34.483	34.052	34.052	0.000	0.000	0.000	0.000
964	I	32	TYR	0	-0.012	0.006	24.427	0.022	0.022	0.000	0.000	0.000	0.000
965	I	33	ILE	0	-0.020	-0.015	30.852	0.378	0.378	0.000	0.000	0.000	0.000
966	I	34	VAL	0	-0.039	-0.020	31.888	-0.260	-0.260	0.000	0.000	0.000	0.000
967	I	35	ALA	0	-0.049	-0.023	32.045	-0.474	-0.474	0.000	0.000	0.000	0.000
968	I	36	ASN	0	-0.070	-0.042	28.171	0.547	0.547	0.000	0.000	0.000	0.000
969	I	37	GLY	0	-0.036	0.002	30.919	0.218	0.218	0.000	0.000	0.000	0.000
970	I	38	TRP	0	-0.010	0.002	25.625	-0.206	-0.206	0.000	0.000	0.000	0.000
971	I	39	ILE	0	-0.033	-0.026	31.962	-1.303	-1.303	0.000	0.000	0.000	0.000
972	I	40	PRO	0	0.019	0.025	33.421	0.834	0.834	0.000	0.000	0.000	0.000
973	I	41	CYS	0	-0.026	-0.010	34.546	-1.379	-1.379	0.000	0.000	0.000	0.000
974	I	42	LEU	0	0.008	0.021	35.019	0.751	0.751	0.000	0.000	0.000	0.000
975	I	43	GLU	-1	-0.855	-0.916	32.618	37.720	37.720	0.000	0.000	0.000	0.000
976	I	44	PHE	0	-0.015	-0.024	35.708	0.296	0.296	0.000	0.000	0.000	0.000
977	I	45	ALA	0	0.046	0.023	35.191	-0.147	-0.147	0.000	0.000	0.000	0.000
978	I	46	GLU	-1	-0.916	-0.956	37.263	29.900	29.900	0.000	0.000	0.000	0.000
979	I	47	ALA	0	0.024	-0.014	36.169	0.815	0.815	0.000	0.000	0.000	0.000
980	I	48	ASP	-1	-0.912	-0.949	35.427	32.226	32.226	0.000	0.000	0.000	0.000
981	I	49	LYS	1	0.872	0.937	35.367	-31.839	-31.839	0.000	0.000	0.000	0.000
982	I	50	ALA	0	-0.019	0.009	32.511	0.670	0.670	0.000	0.000	0.000	0.000
983	I	51	TYR	0	0.007	-0.007	27.549	1.456	1.456	0.000	0.000	0.000	0.000
984	I	52	VAL	0	0.001	0.012	25.084	-0.976	-0.976	0.000	0.000	0.000	0.000
985	I	53	SER	0	-0.076	-0.082	28.282	0.158	0.158	0.000	0.000	0.000	0.000
986	I	54	ASN	0	0.029	-0.002	27.058	1.265	1.265	0.000	0.000	0.000	0.000
987	I	55	GLU	-1	-0.839	-0.866	30.480	35.193	35.193	0.000	0.000	0.000	0.000
988	I	56	SER	0	-0.032	-0.053	33.784	-1.227	-1.227	0.000	0.000	0.000	0.000
989	I	57	ALA	0	0.010	0.002	30.782	-0.498	-0.498	0.000	0.000	0.000	0.000
990	I	58	ILE	0	-0.048	-0.010	32.852	-0.208	-0.208	0.000	0.000	0.000	0.000
991	I	59	ARG	1	0.888	0.937	35.840	-30.798	-30.798	0.000	0.000	0.000	0.000
992	I	60	PHE	0	-0.061	-0.006	30.561	-0.384	-0.384	0.000	0.000	0.000	0.000
993	I	61	GLY	0	0.048	0.030	33.531	-0.518	-0.518	0.000	0.000	0.000	0.000
994	I	62	SER	0	0.006	-0.009	28.400	0.107	0.107	0.000	0.000	0.000	0.000
995	I	63	VAL	0	-0.024	-0.033	27.928	1.043	1.043	0.000	0.000	0.000	0.000
996	I	64	SER	0	0.040	0.022	26.210	-0.097	-0.097	0.000	0.000	0.000	0.000
997	I	65	CYS	0	-0.030	0.023	21.671	0.259	0.259	0.000	0.000	0.000	0.000
998	I	66	LEU	0	-0.020	-0.001	19.594	-0.584	-0.584	0.000	0.000	0.000	0.000
999	I	67	TYR	0	-0.108	-0.055	23.498	-0.992	-0.992	0.000	0.000	0.000	0.000
1000	I	68	TYR	0	0.031	-0.008	21.722	1.178	1.178	0.000	0.000	0.000	0.000
1001	I	69	ASP	-1	-0.767	-0.840	28.137	35.914	35.914	0.000	0.000	0.000	0.000
1002	I	70	ASN	0	-0.009	-0.030	30.156	0.261	0.261	0.000	0.000	0.000	0.000
1003	I	71	ARG	1	0.880	0.948	25.345	-44.202	-44.202	0.000	0.000	0.000	0.000
1004	I	72	TYR	0	-0.015	-0.002	29.690	0.115	0.115	0.000	0.000	0.000	0.000
1005	I	73	TRP	0	-0.033	-0.011	31.268	-0.395	-0.395	0.000	0.000	0.000	0.000
1006	I	74	THR	0	-0.033	-0.013	35.122	-0.509	-0.509	0.000	0.000	0.000	0.000
1007	I	75	MET	0	0.033	0.026	36.839	0.106	0.106	0.000	0.000	0.000	0.000
1008	I	76	TRP	0	-0.029	-0.027	39.111	-1.175	-1.175	0.000	0.000	0.000	0.000
1009	I	77	LYS	1	0.785	0.890	41.076	-27.394	-27.394	0.000	0.000	0.000	0.000
1010	I	78	LEU	0	0.028	0.004	40.833	0.096	0.096	0.000	0.000	0.000	0.000
1011	I	79	PRO	0	0.032	0.005	36.270	0.032	0.032	0.000	0.000	0.000	0.000
1012	I	80	MET	0	-0.036	-0.008	38.068	-0.720	-0.720	0.000	0.000	0.000	0.000
1013	I	81	PHE	0	0.049	0.005	36.407	0.428	0.428	0.000	0.000	0.000	0.000
1014	I	82	GLY	0	-0.019	-0.005	38.780	-0.794	-0.794	0.000	0.000	0.000	0.000
1015	I	83	CYS	0	-0.072	-0.022	39.125	-0.727	-0.727	0.000	0.000	0.000	0.000
1016	I	84	ARG	1	0.998	0.990	38.572	-29.239	-29.239	0.000	0.000	0.000	0.000
1017	I	85	ASP	-1	-0.888	-0.950	40.103	28.630	28.630	0.000	0.000	0.000	0.000
1018	I	86	PRO	0	0.121	0.053	38.468	-0.119	-0.119	0.000	0.000	0.000	0.000
1019	I	87	MET	0	0.005	-0.002	39.969	0.171	0.171	0.000	0.000	0.000	0.000
1020	I	88	GLN	0	-0.048	-0.032	42.759	-0.233	-0.233	0.000	0.000	0.000	0.000
1021	I	89	VAL	0	0.041	0.025	36.933	-0.264	-0.264	0.000	0.000	0.000	0.000
1022	I	90	LEU	0	0.034	0.012	37.750	-0.070	-0.070	0.000	0.000	0.000	0.000
1023	I	91	ARG	1	0.928	0.958	40.765	-27.593	-27.593	0.000	0.000	0.000	0.000
1024	I	92	GLU	-1	-0.785	-0.882	41.502	27.754	27.754	0.000	0.000	0.000	0.000
1025	I	93	ILE	0	0.035	0.032	36.614	-0.063	-0.063	0.000	0.000	0.000	0.000
1026	I	94	VAL	0	-0.019	0.006	40.289	-0.261	-0.261	0.000	0.000	0.000	0.000
1027	I	95	ALA	0	-0.043	-0.026	43.322	-0.429	-0.429	0.000	0.000	0.000	0.000
1028	I	96	CYS	0	-0.037	-0.008	40.556	-0.167	-0.167	0.000	0.000	0.000	0.000
1029	I	97	THR	0	0.016	-0.018	39.265	-0.405	-0.405	0.000	0.000	0.000	0.000
1030	I	98	LYS	1	0.914	0.968	41.993	-25.333	-25.333	0.000	0.000	0.000	0.000
1031	I	99	ALA	0	-0.063	-0.028	45.480	-0.545	-0.545	0.000	0.000	0.000	0.000
1032	I	100	PHE	0	-0.011	-0.008	42.176	-0.411	-0.411	0.000	0.000	0.000	0.000
1033	I	101	PRO	0	0.026	0.023	41.899	0.792	0.792	0.000	0.000	0.000	0.000
1034	I	102	ASP	-1	-0.977	-0.989	41.617	28.274	28.274	0.000	0.000	0.000	0.000
1035	I	103	ALA	0	-0.031	-0.008	39.117	0.396	0.396	0.000	0.000	0.000	0.000
1036	I	104	TYR	0	0.014	0.002	32.219	-0.092	-0.092	0.000	0.000	0.000	0.000
1037	I	105	VAL	0	0.003	-0.004	35.129	-0.412	-0.412	0.000	0.000	0.000	0.000
1038	I	106	ARG	1	0.865	0.934	29.648	-39.587	-39.587	0.000	0.000	0.000	0.000
1039	I	107	LEU	0	-0.010	0.006	32.055	-1.236	-1.236	0.000	0.000	0.000	0.000
1040	I	108	VAL	0	0.029	0.014	30.161	1.465	1.465	0.000	0.000	0.000	0.000
1041	I	109	ALA	0	0.013	-0.003	29.634	-1.463	-1.463	0.000	0.000	0.000	0.000
1042	I	110	PHE	0	-0.016	-0.006	28.910	1.573	1.573	0.000	0.000	0.000	0.000
1043	I	111	ASP	-1	-0.765	-0.883	26.458	42.690	42.690	0.000	0.000	0.000	0.000
1044	I	112	ASN	0	-0.030	-0.041	28.735	0.897	0.897	0.000	0.000	0.000	0.000
1045	I	113	GLN	0	-0.022	-0.001	28.099	-1.537	-1.537	0.000	0.000	0.000	0.000
1046	I	114	LYS	1	0.917	0.967	20.619	-53.578	-53.578	0.000	0.000	0.000	0.000
1047	I	115	GLN	0	-0.053	-0.016	25.741	0.521	0.521	0.000	0.000	0.000	0.000
1048	I	116	VAL	0	0.028	0.014	23.044	0.733	0.733	0.000	0.000	0.000	0.000
1049	I	117	GLN	0	-0.014	-0.008	26.312	-0.461	-0.461	0.000	0.000	0.000	0.000
1050	I	118	ILE	0	-0.023	-0.014	23.452	2.151	2.151	0.000	0.000	0.000	0.000
1051	I	119	MET	0	0.002	-0.009	24.424	1.427	1.427	0.000	0.000	0.000	0.000
1052	I	120	GLY	0	0.042	0.014	26.439	-1.304	-1.304	0.000	0.000	0.000	0.000
1053	I	121	PHE	0	-0.014	0.002	26.182	1.531	1.531	0.000	0.000	0.000	0.000
1054	I	122	LEU	0	-0.041	-0.015	28.124	-1.581	-1.581	0.000	0.000	0.000	0.000
1055	I	123	VAL	0	-0.009	-0.014	30.471	0.126	0.126	0.000	0.000	0.000	0.000
1056	I	124	GLN	0	-0.058	-0.039	33.689	-1.269	-1.269	0.000	0.000	0.000	0.000
1057	I	125	ARG	1	0.949	0.991	29.038	-37.971	-37.971	0.000	0.000	0.000	0.000
1058	I	126	PRO	0	0.043	0.039	35.248	-0.633	-0.633	0.000	0.000	0.000	0.000
1059	I	127	LYS	1	0.979	0.961	37.488	-28.082	-28.082	0.000	0.000	0.000	0.000
1060	I	128	THR	0	-0.027	-0.008	39.690	0.184	0.184	0.000	0.000	0.000	0.000
1061	I	129	ALA	0	0.007	0.021	34.376	-0.026	-0.026	0.000	0.000	0.000	0.000
1062	I	130	ARG	1	0.930	0.945	35.403	-30.230	-30.230	0.000	0.000	0.000	0.000
1063	I	131	ASP	-1	-0.877	-0.938	31.012	37.560	37.560	0.000	0.000	0.000	0.000
1064	I	132	PHE	0	0.010	0.007	28.849	1.352	1.352	0.000	0.000	0.000	0.000
1065	I	133	GLN	0	0.023	-0.001	27.049	-1.768	-1.768	0.000	0.000	0.000	0.000
1066	I	134	PRO	0	-0.035	-0.013	28.545	0.464	0.464	0.000	0.000	0.000	0.000
1067	I	135	ALA	0	0.063	0.017	25.701	0.866	0.866	0.000	0.000	0.000	0.000
1068	I	136	ASN	0	-0.021	-0.017	25.538	1.247	1.247	0.000	0.000	0.000	0.000
1069	I	137	LYS	1	0.922	0.972	27.802	-36.049	-36.049	0.000	0.000	0.000	0.000
1070	I	138	ARG	1	0.869	0.976	22.772	-47.546	-47.546	0.000	0.000	0.000	0.000
1071	I	139	SER	0	-0.015	-0.014	22.233	0.513	0.513	0.000	0.000	0.000	0.000
1072	I	140	VAL	0	-0.043	-0.013	24.203	-1.950	-1.950	0.000	0.000	0.000	0.000
1073	J	1	MME	1	0.828	0.911	56.661	-20.359	-20.359	0.000	0.000	0.000	0.000
1074	J	2	MET	0	0.019	0.028	58.593	-0.297	-0.297	0.000	0.000	0.000	0.000
1075	J	3	VAL	0	0.043	0.015	57.874	0.387	0.387	0.000	0.000	0.000	0.000
1076	J	4	TRP	0	0.084	0.047	55.671	-0.419	-0.419	0.000	0.000	0.000	0.000
1077	J	5	THR	0	0.002	0.006	57.729	0.147	0.147	0.000	0.000	0.000	0.000
1078	J	6	PRO	0	0.023	0.018	57.366	0.145	0.145	0.000	0.000	0.000	0.000
1079	J	7	VAL	0	-0.032	-0.017	58.759	-0.006	-0.006	0.000	0.000	0.000	0.000
1080	J	8	ASN	0	-0.053	-0.025	62.194	0.045	0.045	0.000	0.000	0.000	0.000
1081	J	9	ASN	0	0.037	0.009	58.634	-0.430	-0.430	0.000	0.000	0.000	0.000
1082	J	10	LYS	1	0.921	0.986	58.018	-20.333	-20.333	0.000	0.000	0.000	0.000
1083	J	11	MET	0	-0.088	-0.037	55.030	-0.343	-0.343	0.000	0.000	0.000	0.000
1084	J	12	PHE	0	-0.028	-0.046	56.343	-0.113	-0.113	0.000	0.000	0.000	0.000
1085	J	13	GLU	-1	-0.771	-0.866	50.133	24.469	24.469	0.000	0.000	0.000	0.000
1086	J	14	THR	0	-0.030	-0.012	51.147	-0.164	-0.164	0.000	0.000	0.000	0.000
1087	J	15	PHE	0	-0.005	-0.002	53.151	-0.361	-0.361	0.000	0.000	0.000	0.000
1088	J	16	SER	0	-0.059	-0.029	55.143	-0.436	-0.436	0.000	0.000	0.000	0.000
1089	J	17	TYR	0	0.007	-0.018	53.053	-0.364	-0.364	0.000	0.000	0.000	0.000
1090	J	18	LEU	0	-0.045	-0.014	55.360	-0.104	-0.104	0.000	0.000	0.000	0.000
1091	J	19	PRO	0	-0.060	-0.038	58.451	-0.215	-0.215	0.000	0.000	0.000	0.000
1092	J	20	PRO	0	-0.039	-0.021	61.748	0.131	0.131	0.000	0.000	0.000	0.000
1093	J	21	LEU	0	0.029	0.030	59.529	-0.138	-0.138	0.000	0.000	0.000	0.000
1094	J	22	THR	0	-0.005	-0.002	63.582	-0.322	-0.322	0.000	0.000	0.000	0.000
1095	J	23	ASP	-1	-0.873	-0.951	65.731	18.102	18.102	0.000	0.000	0.000	0.000
1096	J	24	GLU	-1	-0.985	-0.991	66.279	18.538	18.538	0.000	0.000	0.000	0.000
1097	J	25	GLN	0	0.059	0.029	62.158	0.048	0.048	0.000	0.000	0.000	0.000
1098	J	26	ILE	0	-0.014	-0.009	61.906	0.395	0.395	0.000	0.000	0.000	0.000
1099	J	27	ALA	0	-0.010	-0.015	62.457	0.250	0.250	0.000	0.000	0.000	0.000
1100	J	28	ALA	0	0.068	0.047	61.033	0.149	0.149	0.000	0.000	0.000	0.000
1101	J	29	GLN	0	0.027	0.014	56.476	0.724	0.724	0.000	0.000	0.000	0.000
1102	J	30	VAL	0	-0.041	-0.022	58.290	0.308	0.308	0.000	0.000	0.000	0.000
1103	J	31	ASP	-1	-0.887	-0.949	59.937	19.959	19.959	0.000	0.000	0.000	0.000
1104	J	32	TYR	0	-0.006	0.010	50.362	0.293	0.293	0.000	0.000	0.000	0.000
1105	J	33	ILE	0	-0.029	-0.018	55.449	0.380	0.380	0.000	0.000	0.000	0.000
1106	J	34	VAL	0	-0.039	-0.020	56.104	0.200	0.200	0.000	0.000	0.000	0.000
1107	J	35	ALA	0	-0.047	-0.021	56.335	0.110	0.110	0.000	0.000	0.000	0.000
1108	J	36	ASN	0	-0.071	-0.040	51.543	0.557	0.557	0.000	0.000	0.000	0.000
1109	J	37	GLY	0	-0.053	-0.010	52.560	0.349	0.349	0.000	0.000	0.000	0.000
1110	J	38	TRP	0	-0.003	0.004	48.985	0.004	0.004	0.000	0.000	0.000	0.000
1111	J	39	ILE	0	-0.040	-0.027	53.157	-0.494	-0.494	0.000	0.000	0.000	0.000
1112	J	40	PRO	0	0.029	0.029	55.981	0.183	0.183	0.000	0.000	0.000	0.000
1113	J	41	CYS	0	-0.025	-0.014	57.651	-0.179	-0.179	0.000	0.000	0.000	0.000
1114	J	42	LEU	0	0.002	0.019	59.413	0.045	0.045	0.000	0.000	0.000	0.000
1115	J	43	GLU	-1	-0.838	-0.908	56.420	22.034	22.034	0.000	0.000	0.000	0.000
1116	J	44	PHE	0	-0.013	-0.020	60.857	-0.131	-0.131	0.000	0.000	0.000	0.000
1117	J	45	ALA	0	0.041	0.019	61.363	0.151	0.151	0.000	0.000	0.000	0.000
1118	J	46	GLU	-1	-0.907	-0.952	63.489	18.381	18.381	0.000	0.000	0.000	0.000
1119	J	47	ALA	0	0.017	-0.018	64.261	0.294	0.294	0.000	0.000	0.000	0.000
1120	J	48	ASP	-1	-0.914	-0.951	63.651	18.913	18.913	0.000	0.000	0.000	0.000
1121	J	49	LYS	1	0.882	0.942	61.221	-19.691	-19.691	0.000	0.000	0.000	0.000
1122	J	50	ALA	0	-0.023	0.009	60.005	0.304	0.304	0.000	0.000	0.000	0.000
1123	J	51	TYR	0	0.007	-0.009	56.951	0.365	0.365	0.000	0.000	0.000	0.000
1124	J	52	VAL	0	-0.005	0.008	51.441	-0.088	-0.088	0.000	0.000	0.000	0.000
1125	J	53	SER	0	-0.076	-0.088	54.648	-0.137	-0.137	0.000	0.000	0.000	0.000
1126	J	54	ASN	0	0.026	-0.003	51.881	0.634	0.634	0.000	0.000	0.000	0.000
1127	J	55	GLU	-1	-0.834	-0.860	54.191	21.401	21.401	0.000	0.000	0.000	0.000
1128	J	56	SER	0	-0.032	-0.060	54.471	-0.228	-0.228	0.000	0.000	0.000	0.000
1129	J	57	ALA	0	-0.003	-0.005	51.248	0.114	0.114	0.000	0.000	0.000	0.000
1130	J	58	ILE	0	-0.042	-0.011	52.829	0.181	0.181	0.000	0.000	0.000	0.000
1131	J	59	ARG	1	0.890	0.939	54.569	-21.639	-21.639	0.000	0.000	0.000	0.000
1132	J	60	PHE	0	-0.064	-0.007	49.144	0.181	0.181	0.000	0.000	0.000	0.000
1133	J	61	GLY	0	0.051	0.034	47.738	-0.188	-0.188	0.000	0.000	0.000	0.000
1134	J	62	SER	0	0.008	-0.010	43.833	-0.346	-0.346	0.000	0.000	0.000	0.000
1135	J	63	VAL	0	-0.029	-0.035	43.248	0.749	0.749	0.000	0.000	0.000	0.000
1136	J	64	SER	0	0.046	0.024	45.035	-0.021	-0.021	0.000	0.000	0.000	0.000
1137	J	65	CYS	0	-0.035	0.020	41.422	-0.173	-0.173	0.000	0.000	0.000	0.000
1138	J	66	LEU	0	-0.023	-0.002	40.679	0.011	0.011	0.000	0.000	0.000	0.000
1139	J	67	TYR	0	-0.119	-0.066	44.682	-0.120	-0.120	0.000	0.000	0.000	0.000
1140	J	68	TYR	0	0.033	-0.008	46.129	0.097	0.097	0.000	0.000	0.000	0.000
1141	J	69	ASP	-1	-0.766	-0.821	51.119	22.461	22.461	0.000	0.000	0.000	0.000
1142	J	70	ASN	0	0.010	-0.018	54.707	-0.043	-0.043	0.000	0.000	0.000	0.000
1143	J	71	ARG	1	0.870	0.942	46.955	-25.208	-25.208	0.000	0.000	0.000	0.000
1144	J	72	TYR	0	-0.011	0.000	50.823	-0.009	-0.009	0.000	0.000	0.000	0.000
1145	J	73	TRP	0	-0.024	-0.004	55.499	-0.395	-0.395	0.000	0.000	0.000	0.000
1146	J	74	THR	0	-0.028	-0.014	58.802	0.106	0.106	0.000	0.000	0.000	0.000
1147	J	75	MET	0	0.022	0.023	57.569	-0.072	-0.072	0.000	0.000	0.000	0.000
1148	J	76	TRP	0	-0.037	-0.031	61.380	-0.456	-0.456	0.000	0.000	0.000	0.000
1149	J	77	LYS	1	0.795	0.896	63.547	-17.958	-17.958	0.000	0.000	0.000	0.000
1150	J	78	LEU	0	0.032	0.008	60.704	0.179	0.179	0.000	0.000	0.000	0.000
1151	J	79	PRO	0	0.039	0.011	57.082	-0.163	-0.163	0.000	0.000	0.000	0.000
1152	J	80	MET	0	-0.046	-0.007	59.588	-0.173	-0.173	0.000	0.000	0.000	0.000
1153	J	81	PHE	0	0.039	-0.001	55.416	0.145	0.145	0.000	0.000	0.000	0.000
1154	J	82	GLY	0	-0.007	-0.005	58.657	-0.315	-0.315	0.000	0.000	0.000	0.000
1155	J	83	CYS	0	-0.078	-0.015	60.344	-0.334	-0.334	0.000	0.000	0.000	0.000
1156	J	84	ARG	1	0.997	0.986	58.268	-20.598	-20.598	0.000	0.000	0.000	0.000
1157	J	85	ASP	-1	-0.873	-0.948	62.291	18.338	18.338	0.000	0.000	0.000	0.000
1158	J	86	PRO	0	0.118	0.051	63.226	-0.050	-0.050	0.000	0.000	0.000	0.000
1159	J	87	MET	0	0.015	0.002	64.875	-0.076	-0.076	0.000	0.000	0.000	0.000
1160	J	88	GLN	0	-0.047	-0.026	66.236	-0.112	-0.112	0.000	0.000	0.000	0.000
1161	J	89	VAL	0	0.035	0.022	62.117	-0.097	-0.097	0.000	0.000	0.000	0.000
1162	J	90	LEU	0	0.039	0.011	65.202	-0.101	-0.101	0.000	0.000	0.000	0.000
1163	J	91	ARG	1	0.921	0.955	67.559	-17.836	-17.836	0.000	0.000	0.000	0.000
1164	J	92	GLU	-1	-0.790	-0.891	66.220	18.042	18.042	0.000	0.000	0.000	0.000
1165	J	93	ILE	0	0.025	0.027	63.862	-0.035	-0.035	0.000	0.000	0.000	0.000
1166	J	94	VAL	0	-0.005	0.009	67.398	-0.161	-0.161	0.000	0.000	0.000	0.000
1167	J	95	ALA	0	-0.040	-0.024	70.519	-0.189	-0.189	0.000	0.000	0.000	0.000
1168	J	96	CYS	0	-0.040	-0.007	66.664	-0.080	-0.080	0.000	0.000	0.000	0.000
1169	J	97	THR	0	0.017	-0.014	68.038	-0.176	-0.176	0.000	0.000	0.000	0.000
1170	J	98	LYS	1	0.911	0.968	70.204	-16.392	-16.392	0.000	0.000	0.000	0.000
1171	J	99	ALA	0	-0.061	-0.031	71.486	-0.226	-0.226	0.000	0.000	0.000	0.000
1172	J	100	PHE	0	-0.007	-0.004	69.182	-0.099	-0.099	0.000	0.000	0.000	0.000
1173	J	101	PRO	0	0.029	0.024	70.259	0.228	0.228	0.000	0.000	0.000	0.000
1174	J	102	ASP	-1	-0.985	-0.992	71.447	16.954	16.954	0.000	0.000	0.000	0.000
1175	J	103	ALA	0	-0.033	-0.010	66.590	0.142	0.142	0.000	0.000	0.000	0.000
1176	J	104	TYR	0	0.023	0.003	62.578	-0.097	-0.097	0.000	0.000	0.000	0.000
1177	J	105	VAL	0	0.002	-0.002	63.425	0.036	0.036	0.000	0.000	0.000	0.000
1178	J	106	ARG	1	0.843	0.919	55.521	-21.990	-21.990	0.000	0.000	0.000	0.000
1179	J	107	LEU	0	-0.003	0.008	59.006	-0.179	-0.179	0.000	0.000	0.000	0.000
1180	J	108	VAL	0	0.020	0.010	54.627	0.273	0.273	0.000	0.000	0.000	0.000
1181	J	109	ALA	0	0.022	-0.001	54.080	-0.382	-0.382	0.000	0.000	0.000	0.000
1182	J	110	PHE	0	-0.010	-0.006	51.175	0.442	0.442	0.000	0.000	0.000	0.000
1183	J	111	ASP	-1	-0.774	-0.882	47.061	25.748	25.748	0.000	0.000	0.000	0.000
1184	J	112	ASN	0	-0.023	-0.041	48.353	0.323	0.323	0.000	0.000	0.000	0.000
1185	J	113	GLN	0	-0.027	-0.001	44.989	-0.228	-0.228	0.000	0.000	0.000	0.000
1186	J	114	LYS	1	0.915	0.965	41.964	-27.698	-27.698	0.000	0.000	0.000	0.000
1187	J	115	GLN	0	-0.067	-0.027	43.723	-0.160	-0.160	0.000	0.000	0.000	0.000
1188	J	116	VAL	0	0.041	0.021	44.621	0.312	0.312	0.000	0.000	0.000	0.000
1189	J	117	GLN	0	-0.012	-0.005	46.950	-0.511	-0.511	0.000	0.000	0.000	0.000
1190	J	118	ILE	0	-0.023	-0.015	46.599	0.497	0.497	0.000	0.000	0.000	0.000
1191	J	119	MET	0	0.001	-0.009	49.362	-0.065	-0.065	0.000	0.000	0.000	0.000
1192	J	120	GLY	0	0.044	0.016	52.251	-0.110	-0.110	0.000	0.000	0.000	0.000
1193	J	121	PHE	0	-0.021	-0.001	54.648	0.147	0.147	0.000	0.000	0.000	0.000
1194	J	122	LEU	0	-0.041	-0.016	57.303	-0.277	-0.277	0.000	0.000	0.000	0.000
1195	J	123	VAL	0	-0.007	-0.010	60.385	-0.080	-0.080	0.000	0.000	0.000	0.000
1196	J	124	GLN	0	-0.042	-0.029	63.757	-0.518	-0.518	0.000	0.000	0.000	0.000
1197	J	125	ARG	1	0.943	0.989	61.861	-19.224	-19.224	0.000	0.000	0.000	0.000
1198	J	126	PRO	0	0.053	0.044	66.148	-0.287	-0.287	0.000	0.000	0.000	0.000
1199	J	127	LYS	1	0.982	0.966	69.349	-16.689	-16.689	0.000	0.000	0.000	0.000
1200	J	128	THR	0	-0.043	-0.025	71.569	-0.023	-0.023	0.000	0.000	0.000	0.000
1201	J	129	ALA	0	0.024	0.030	66.392	-0.024	-0.024	0.000	0.000	0.000	0.000
1202	J	130	ARG	1	0.894	0.931	68.001	-17.356	-17.356	0.000	0.000	0.000	0.000
1203	J	131	ASP	-1	-0.860	-0.928	63.025	19.378	19.378	0.000	0.000	0.000	0.000
1204	J	132	PHE	0	-0.004	0.008	62.550	0.331	0.331	0.000	0.000	0.000	0.000
1205	J	133	GLN	0	-0.005	-0.022	62.624	-0.529	-0.529	0.000	0.000	0.000	0.000
1206	J	134	PRO	0	-0.008	0.000	63.403	0.220	0.220	0.000	0.000	0.000	0.000
1207	J	135	ALA	0	0.074	0.017	61.929	0.059	0.059	0.000	0.000	0.000	0.000
1208	J	136	ASN	0	-0.017	-0.010	62.564	0.231	0.231	0.000	0.000	0.000	0.000
1209	J	137	LYS	1	0.895	0.949	64.989	-17.948	-17.948	0.000	0.000	0.000	0.000
1210	J	138	ARG	1	0.901	0.989	58.851	-20.564	-20.564	0.000	0.000	0.000	0.000
1211	J	139	SER	0	0.002	-0.010	59.212	0.178	0.178	0.000	0.000	0.000	0.000
1212	J	140	VAL	0	-0.056	-0.011	61.178	-0.408	-0.408	0.000	0.000	0.000	0.000
1214	B	477	CAP	-4	-3.186	-3.594	28.530	140.473	140.473	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1213(A:477:CAP)