FMO DATABASE

FMODB ID: 22NGR

Calculation Name: 5IU0-ABIJ-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 5IU0

Chain ID: ABIJ

ChEMBL ID:

UniProt ID: O03042

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	1175
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-41915686.310602
FMO2-HF: Nuclear repulsion	41448786.021256
FMO2-HF: Total energy	-466900.289346
FMO2-MP2: Total energy	-468257.988917

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.
-815.099	-817.168	179.290	-92.248	-84.976	-0.670

Interactive mode: IFIE and PIEDA for fragment #1174(A:502:CAP)

Summations of interaction energy for fragment #1174(A:502:CAP)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-815.099	-817.168	179.29	-92.248	-84.976	0.67

Interaction energy analysis for fragmet #1174(A:502:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.118 / q_NPA : -3.510

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].
160	A	172	CYS	0	-0.059	-0.027	5.164	2.297	2.445	-0.001	-0.003	-0.143	0.000
161	A	173	THR	0	0.136	0.044	1.854	-19.790	-21.233	14.223	-7.041	-5.739	-0.028
162	A	174	ILE	0	-0.024	-0.010	3.934	7.317	7.677	-0.001	-0.135	-0.224	0.000
163	A	175	LYS	1	0.840	0.919	2.311	-225.793	-221.537	5.169	-3.946	-5.479	0.057
165	A	177	LYS	1	0.749	0.883	4.515	-160.272	-159.887	-0.001	-0.130	-0.255	0.000
189	A	201	KCX	-1	-0.500	-0.801	1.551	176.561	163.608	34.447	-13.412	-8.081	-0.107
191	A	203	ASP	0	0.210	0.049	4.349	6.043	6.183	-0.001	-0.039	-0.100	0.000
192	A	204	GLU	0	0.187	-0.009	4.122	-16.825	-16.498	-0.001	-0.074	-0.253	0.000
283	A	294	HIS	0	0.594	0.497	1.969	-6.741	-7.471	7.260	-2.546	-3.984	0.012
284	A	295	ARG	1	0.769	0.852	1.792	-277.877	-277.851	22.700	-13.334	-9.393	0.182
285	A	296	ALA	0	0.034	0.012	5.168	0.789	0.852	-0.001	-0.008	-0.054	0.000
287	A	298	HIS	1	0.849	0.896	3.440	-172.719	-171.139	0.047	-0.776	-0.851	0.007
316	A	327	HIS	0	0.189	0.194	1.753	-58.577	-58.623	16.785	-8.947	-7.793	0.100
317	A	328	ALA	0	-0.001	-0.013	4.762	-7.672	-7.523	-0.001	-0.020	-0.128	0.000
318	A	329	GLY	0	0.030	0.017	3.536	-13.083	-11.984	0.029	-0.565	-0.564	0.004
319	A	330	THR	0	0.043	0.024	4.528	-20.672	-20.468	0.000	-0.030	-0.173	0.000
323	A	334	LYS	1	0.792	0.884	1.995	-268.356	-265.422	7.057	-5.331	-4.660	0.071
324	A	335	LEU	0	-0.012	-0.003	2.786	-20.390	-16.955	1.094	-1.897	-2.633	0.019
325	A	336	GLU	-1	-0.833	-0.928	5.596	82.914	82.971	-0.001	-0.001	-0.055	0.000
367	A	378	ALA	0	0.014	0.020	4.871	19.386	19.573	-0.001	-0.006	-0.180	0.000
368	A	379	SER	0	-0.009	-0.040	1.874	-32.180	-29.509	10.619	-6.647	-6.643	0.036
369	A	380	GLY	0	0.075	0.035	2.242	9.216	12.604	6.184	-4.514	-5.058	0.023
370	A	381	GLY	0	-0.037	-0.019	1.982	-44.932	-46.302	5.686	-1.014	-3.302	0.051
371	A	382	ILE	0	-0.063	-0.013	3.980	-28.417	-27.846	0.014	-0.253	-0.332	0.002
390	A	401	GLN	0	0.002	-0.004	3.900	-22.313	-22.050	-0.001	-0.027	-0.236	0.000
391	A	402	PHE	0	0.034	0.003	3.701	18.524	19.344	0.018	-0.305	-0.533	0.001
392	A	403	GLY	0	0.053	0.023	1.924	-41.757	-41.723	9.486	-5.526	-3.994	0.070
393	A	404	GLY	0	0.022	-0.018	1.693	-54.905	-65.033	18.329	-4.143	-4.058	0.066
394	A	405	GLY	0	-0.014	-0.012	3.650	-30.802	-29.905	0.039	-0.466	-0.470	0.006
517	B	65	THR	0	-0.034	-0.043	1.708	-14.925	-19.706	16.730	-7.823	-4.126	0.073
518	B	66	TRP	0	0.027	0.010	2.411	-47.911	-45.189	2.518	-2.165	-3.074	0.030
575	B	123	ASN	0	0.091	0.009	2.772	6.258	8.825	0.867	-1.120	-2.314	-0.005
576	B	124	VAL	0	0.028	0.012	5.115	4.138	4.237	-0.001	-0.004	-0.094	0.000
1	A	13	PHE	0	-0.036	-0.022	47.574	-0.016	-0.016	0.000	0.000	0.000	0.000
2	A	14	LYS	1	0.940	0.980	48.522	-24.680	-24.680	0.000	0.000	0.000	0.000
3	A	15	ALA	0	0.031	0.018	48.577	0.441	0.441	0.000	0.000	0.000	0.000
4	A	16	GLY	0	0.069	0.030	47.439	-0.362	-0.362	0.000	0.000	0.000	0.000
5	A	17	VAL	0	-0.001	0.005	42.160	0.285	0.285	0.000	0.000	0.000	0.000
6	A	18	LYS	1	0.881	0.942	43.280	-27.518	-27.518	0.000	0.000	0.000	0.000
7	A	19	GLU	-1	-0.856	-0.927	41.122	28.299	28.299	0.000	0.000	0.000	0.000
8	A	20	TYR	0	-0.033	-0.043	35.661	-0.443	-0.443	0.000	0.000	0.000	0.000
9	A	21	LYS	1	0.918	0.931	38.530	-28.640	-28.640	0.000	0.000	0.000	0.000
10	A	22	LEU	0	-0.070	-0.026	39.407	-0.369	-0.369	0.000	0.000	0.000	0.000
11	A	23	THR	0	-0.059	-0.021	39.714	-0.611	-0.611	0.000	0.000	0.000	0.000
12	A	24	TYR	0	0.008	-0.009	35.325	-0.199	-0.199	0.000	0.000	0.000	0.000
13	A	25	TYR	0	0.027	0.027	35.653	1.092	1.092	0.000	0.000	0.000	0.000
14	A	26	THR	0	-0.073	-0.063	36.966	-0.784	-0.784	0.000	0.000	0.000	0.000
15	A	27	PRO	0	0.005	0.019	37.182	0.511	0.511	0.000	0.000	0.000	0.000
16	A	28	GLU	-1	-0.878	-0.935	38.256	28.547	28.547	0.000	0.000	0.000	0.000
17	A	29	TYR	0	-0.159	-0.086	34.143	-0.690	-0.690	0.000	0.000	0.000	0.000
18	A	30	GLU	-1	-0.904	-0.953	37.137	29.006	29.006	0.000	0.000	0.000	0.000
19	A	31	THR	0	-0.070	-0.035	31.705	0.245	0.245	0.000	0.000	0.000	0.000
20	A	32	LYS	1	0.957	0.981	34.146	-31.022	-31.022	0.000	0.000	0.000	0.000
21	A	33	ASP	-1	-0.877	-0.940	32.340	34.921	34.921	0.000	0.000	0.000	0.000
22	A	34	THR	0	-0.049	-0.039	31.460	0.511	0.511	0.000	0.000	0.000	0.000
23	A	35	ASP	-1	-0.817	-0.892	30.566	35.024	35.024	0.000	0.000	0.000	0.000
24	A	36	ILE	0	0.003	0.010	24.446	0.912	0.912	0.000	0.000	0.000	0.000
25	A	37	LEU	0	-0.049	-0.009	25.879	-1.062	-1.062	0.000	0.000	0.000	0.000
26	A	38	ALA	0	0.040	0.025	23.463	2.090	2.090	0.000	0.000	0.000	0.000
27	A	39	ALA	0	0.009	0.020	22.644	-1.901	-1.901	0.000	0.000	0.000	0.000
28	A	40	PHE	0	0.011	-0.005	22.091	2.607	2.607	0.000	0.000	0.000	0.000
29	A	41	ARG	1	0.848	0.927	19.903	-52.999	-52.999	0.000	0.000	0.000	0.000
30	A	42	VAL	0	0.016	-0.002	23.521	0.990	0.990	0.000	0.000	0.000	0.000
31	A	43	THR	0	0.031	0.017	25.137	-0.414	-0.414	0.000	0.000	0.000	0.000
32	A	44	PRO	0	0.014	0.006	27.636	0.395	0.395	0.000	0.000	0.000	0.000
33	A	45	GLN	0	0.009	0.003	30.999	-0.189	-0.189	0.000	0.000	0.000	0.000
34	A	46	PRO	0	0.015	-0.008	32.831	-0.649	-0.649	0.000	0.000	0.000	0.000
35	A	47	GLY	0	0.002	0.007	35.742	-0.457	-0.457	0.000	0.000	0.000	0.000
36	A	48	VAL	0	-0.059	-0.013	34.548	-0.753	-0.753	0.000	0.000	0.000	0.000
37	A	49	PRO	0	0.011	0.008	35.589	0.585	0.585	0.000	0.000	0.000	0.000
38	A	50	PRO	0	0.084	0.034	33.477	0.505	0.505	0.000	0.000	0.000	0.000
39	A	51	GLU	-1	-0.885	-0.959	34.038	31.303	31.303	0.000	0.000	0.000	0.000
40	A	52	GLU	-1	-0.773	-0.890	36.140	30.438	30.438	0.000	0.000	0.000	0.000
41	A	53	ALA	0	-0.006	0.003	31.586	0.382	0.382	0.000	0.000	0.000	0.000
42	A	54	GLY	0	0.025	0.004	30.921	0.918	0.918	0.000	0.000	0.000	0.000
43	A	55	ALA	0	-0.026	-0.006	31.887	0.382	0.382	0.000	0.000	0.000	0.000
44	A	56	ALA	0	-0.008	-0.004	32.714	-0.009	-0.009	0.000	0.000	0.000	0.000
45	A	57	VAL	0	-0.006	0.005	27.015	0.365	0.365	0.000	0.000	0.000	0.000
46	A	58	ALA	0	0.029	0.015	29.505	0.454	0.454	0.000	0.000	0.000	0.000
47	A	59	ALA	0	-0.018	0.011	31.175	-0.124	-0.124	0.000	0.000	0.000	0.000
48	A	60	GLU	-1	-0.787	-0.884	31.019	33.692	33.692	0.000	0.000	0.000	0.000
49	A	61	SER	0	0.041	0.053	27.062	0.905	0.905	0.000	0.000	0.000	0.000
50	A	62	SER	0	-0.062	-0.068	28.844	0.067	0.067	0.000	0.000	0.000	0.000
51	A	63	THR	0	-0.025	-0.020	31.590	-0.361	-0.361	0.000	0.000	0.000	0.000
52	A	64	GLY	0	-0.014	0.005	34.679	-0.890	-0.890	0.000	0.000	0.000	0.000
53	A	65	THR	0	-0.023	-0.059	34.924	0.914	0.914	0.000	0.000	0.000	0.000
54	A	66	TRP	0	0.015	0.003	36.963	-0.629	-0.629	0.000	0.000	0.000	0.000
55	A	67	THR	0	0.003	-0.007	38.682	-0.767	-0.767	0.000	0.000	0.000	0.000
56	A	68	THR	0	-0.089	-0.031	41.895	0.426	0.426	0.000	0.000	0.000	0.000
57	A	69	VAL	0	0.046	0.018	41.523	-0.434	-0.434	0.000	0.000	0.000	0.000
58	A	70	TRP	0	-0.027	-0.021	44.441	-0.120	-0.120	0.000	0.000	0.000	0.000
59	A	71	THR	0	-0.044	-0.071	42.731	-0.383	-0.383	0.000	0.000	0.000	0.000
60	A	72	ASP	-1	-0.830	-0.920	41.952	28.138	28.138	0.000	0.000	0.000	0.000
61	A	73	GLY	0	-0.059	-0.025	44.109	-0.004	-0.004	0.000	0.000	0.000	0.000
62	A	74	LEU	0	-0.091	-0.037	45.598	-0.427	-0.427	0.000	0.000	0.000	0.000
63	A	75	THR	0	-0.043	-0.014	41.310	-0.058	-0.058	0.000	0.000	0.000	0.000
64	A	76	SER	0	-0.004	-0.002	42.475	-0.260	-0.260	0.000	0.000	0.000	0.000
65	A	77	LEU	0	0.061	0.016	39.005	0.604	0.604	0.000	0.000	0.000	0.000
66	A	78	ASP	-1	-0.936	-0.952	39.461	27.601	27.601	0.000	0.000	0.000	0.000
67	A	79	ARG	1	0.896	0.935	39.668	-28.028	-28.028	0.000	0.000	0.000	0.000
68	A	80	TYR	0	-0.029	-0.010	36.318	0.547	0.547	0.000	0.000	0.000	0.000
69	A	81	LYS	1	0.857	0.942	34.950	-28.344	-28.344	0.000	0.000	0.000	0.000
70	A	82	GLY	0	0.056	0.020	32.087	0.224	0.224	0.000	0.000	0.000	0.000
71	A	83	ARG	1	0.850	0.932	32.628	-31.365	-31.365	0.000	0.000	0.000	0.000
72	A	84	CYS	0	0.018	0.015	31.989	1.202	1.202	0.000	0.000	0.000	0.000
73	A	85	TYR	0	0.005	-0.009	29.649	-0.548	-0.548	0.000	0.000	0.000	0.000
74	A	86	HIS	0	0.026	0.016	30.985	-1.248	-1.248	0.000	0.000	0.000	0.000
75	A	87	ILE	0	0.022	0.016	31.635	1.119	1.119	0.000	0.000	0.000	0.000
76	A	88	GLU	-1	-0.854	-0.920	27.226	40.649	40.649	0.000	0.000	0.000	0.000
77	A	89	PRO	0	0.005	-0.005	29.280	1.306	1.306	0.000	0.000	0.000	0.000
78	A	90	VAL	0	-0.005	0.023	25.312	0.613	0.613	0.000	0.000	0.000	0.000
79	A	91	PRO	0	-0.017	-0.023	27.131	-0.815	-0.815	0.000	0.000	0.000	0.000
80	A	92	GLY	0	-0.028	-0.015	27.895	1.125	1.125	0.000	0.000	0.000	0.000
81	A	93	GLU	-1	-0.940	-0.963	26.253	43.124	43.124	0.000	0.000	0.000	0.000
82	A	94	GLU	-1	-0.974	-0.971	29.394	32.405	32.405	0.000	0.000	0.000	0.000
83	A	95	THR	0	0.010	-0.014	31.185	-0.338	-0.338	0.000	0.000	0.000	0.000
84	A	96	GLN	0	-0.002	0.005	23.653	0.820	0.820	0.000	0.000	0.000	0.000
85	A	97	PHE	0	-0.020	-0.023	28.071	-0.570	-0.570	0.000	0.000	0.000	0.000
86	A	98	ILE	0	-0.015	-0.011	23.614	1.618	1.618	0.000	0.000	0.000	0.000
87	A	99	ALA	0	0.002	0.007	26.834	-1.763	-1.763	0.000	0.000	0.000	0.000
88	A	100	TYR	0	-0.043	-0.027	26.421	2.163	2.163	0.000	0.000	0.000	0.000
89	A	101	VAL	0	-0.003	-0.005	27.664	-1.648	-1.648	0.000	0.000	0.000	0.000
90	A	102	ALA	0	-0.016	-0.001	28.158	1.167	1.167	0.000	0.000	0.000	0.000
91	A	103	TYR	0	-0.045	-0.057	26.279	-0.725	-0.725	0.000	0.000	0.000	0.000
92	A	104	PRO	0	0.021	0.011	30.338	0.562	0.562	0.000	0.000	0.000	0.000
93	A	105	LEU	0	0.064	0.023	29.705	0.687	0.687	0.000	0.000	0.000	0.000
94	A	106	ASP	-1	-0.922	-0.973	31.029	32.565	32.565	0.000	0.000	0.000	0.000
95	A	107	LEU	0	-0.077	-0.038	30.311	-0.285	-0.285	0.000	0.000	0.000	0.000
96	A	108	PHE	0	-0.008	0.007	25.549	0.617	0.617	0.000	0.000	0.000	0.000
97	A	109	GLU	-1	-0.801	-0.883	27.260	37.934	37.934	0.000	0.000	0.000	0.000
98	A	110	GLU	-1	-0.794	-0.890	26.623	37.605	37.605	0.000	0.000	0.000	0.000
99	A	111	GLY	0	0.041	0.031	24.430	-0.177	-0.177	0.000	0.000	0.000	0.000
100	A	112	SER	0	-0.018	-0.008	22.886	2.304	2.304	0.000	0.000	0.000	0.000
101	A	113	VAL	0	0.047	0.020	16.830	-0.767	-0.767	0.000	0.000	0.000	0.000
102	A	114	THR	0	-0.007	0.003	20.182	0.890	0.890	0.000	0.000	0.000	0.000
103	A	115	ASN	0	-0.003	-0.005	20.997	-0.761	-0.761	0.000	0.000	0.000	0.000
104	A	116	MET	0	-0.004	0.006	19.313	-1.110	-1.110	0.000	0.000	0.000	0.000
105	A	117	PHE	0	-0.026	-0.031	14.919	-0.070	-0.070	0.000	0.000	0.000	0.000
106	A	118	THR	0	0.007	0.024	20.789	0.414	0.414	0.000	0.000	0.000	0.000
107	A	119	SER	0	0.013	0.010	23.612	-1.468	-1.468	0.000	0.000	0.000	0.000
108	A	120	ILE	0	-0.053	-0.010	22.357	-0.561	-0.561	0.000	0.000	0.000	0.000
109	A	121	VAL	0	-0.010	-0.028	18.711	-0.101	-0.101	0.000	0.000	0.000	0.000
110	A	122	GLY	0	0.007	0.028	22.008	0.825	0.825	0.000	0.000	0.000	0.000
111	A	123	ASN	0	0.086	0.007	24.100	1.461	1.461	0.000	0.000	0.000	0.000
112	A	124	VAL	0	0.018	0.009	24.648	-0.147	-0.147	0.000	0.000	0.000	0.000
113	A	125	PHE	0	0.027	0.014	19.891	-0.836	-0.836	0.000	0.000	0.000	0.000
114	A	126	GLY	0	0.027	0.013	24.282	0.597	0.597	0.000	0.000	0.000	0.000
115	A	127	PHE	0	-0.014	0.002	26.636	-1.395	-1.395	0.000	0.000	0.000	0.000
116	A	128	LYS	1	0.796	0.892	29.624	-32.262	-32.262	0.000	0.000	0.000	0.000
117	A	129	ALA	0	-0.004	-0.001	32.122	0.105	0.105	0.000	0.000	0.000	0.000
118	A	130	LEU	0	-0.030	-0.015	27.334	-0.342	-0.342	0.000	0.000	0.000	0.000
119	A	131	ALA	0	0.007	0.009	28.175	0.073	0.073	0.000	0.000	0.000	0.000
120	A	132	ALA	0	-0.015	-0.011	22.867	1.421	1.421	0.000	0.000	0.000	0.000
121	A	133	LEU	0	-0.021	-0.008	22.743	-1.728	-1.728	0.000	0.000	0.000	0.000
122	A	134	ARG	1	0.772	0.880	13.352	-66.455	-66.455	0.000	0.000	0.000	0.000
123	A	135	LEU	0	-0.022	0.009	18.329	-2.088	-2.088	0.000	0.000	0.000	0.000
124	A	136	GLU	-1	-0.782	-0.903	17.409	63.320	63.320	0.000	0.000	0.000	0.000
125	A	137	ASP	-1	-0.796	-0.919	17.592	58.792	58.792	0.000	0.000	0.000	0.000
126	A	138	LEU	0	-0.011	-0.014	18.922	-1.958	-1.958	0.000	0.000	0.000	0.000
127	A	139	ARG	1	0.847	0.946	21.055	-38.513	-38.513	0.000	0.000	0.000	0.000
128	A	140	ILE	0	0.025	-0.001	20.514	-1.606	-1.606	0.000	0.000	0.000	0.000
129	A	141	PRO	0	0.007	0.027	23.780	0.054	0.054	0.000	0.000	0.000	0.000
130	A	142	PRO	0	0.116	0.032	26.748	0.550	0.550	0.000	0.000	0.000	0.000
131	A	143	ALA	0	-0.020	-0.015	28.251	0.001	0.001	0.000	0.000	0.000	0.000
132	A	144	TYR	0	-0.005	-0.019	23.510	0.074	0.074	0.000	0.000	0.000	0.000
133	A	145	THR	0	0.074	0.042	22.855	0.739	0.739	0.000	0.000	0.000	0.000
134	A	146	LYS	1	0.931	0.970	24.904	-38.777	-38.777	0.000	0.000	0.000	0.000
135	A	147	THR	0	-0.101	-0.054	26.349	-0.557	-0.557	0.000	0.000	0.000	0.000
136	A	148	PHE	0	0.008	0.002	21.346	0.419	0.419	0.000	0.000	0.000	0.000
137	A	149	GLN	0	-0.035	-0.020	20.707	-2.615	-2.615	0.000	0.000	0.000	0.000
138	A	150	GLY	0	0.041	0.027	19.241	-0.348	-0.348	0.000	0.000	0.000	0.000
139	A	151	PRO	0	-0.060	-0.025	16.606	0.163	0.163	0.000	0.000	0.000	0.000
140	A	152	PRO	0	-0.023	-0.002	17.451	-3.114	-3.114	0.000	0.000	0.000	0.000
141	A	153	HIS	0	-0.063	-0.035	19.048	-5.582	-5.582	0.000	0.000	0.000	0.000
142	A	154	GLY	0	0.046	0.018	17.981	-2.130	-2.130	0.000	0.000	0.000	0.000
143	A	155	ILE	0	-0.051	-0.022	15.897	-1.126	-1.126	0.000	0.000	0.000	0.000
144	A	156	GLN	0	-0.050	-0.028	18.479	0.223	0.223	0.000	0.000	0.000	0.000
145	A	157	VAL	0	0.067	0.033	22.038	-0.565	-0.565	0.000	0.000	0.000	0.000
146	A	158	GLU	-1	-0.806	-0.875	15.214	73.678	73.678	0.000	0.000	0.000	0.000
147	A	159	ARG	1	0.801	0.880	17.709	-62.865	-62.865	0.000	0.000	0.000	0.000
148	A	160	ASP	-1	-0.812	-0.890	21.027	45.753	45.753	0.000	0.000	0.000	0.000
149	A	161	LYS	1	0.807	0.915	21.504	-50.592	-50.592	0.000	0.000	0.000	0.000
150	A	162	LEU	0	-0.032	-0.030	16.905	-1.065	-1.065	0.000	0.000	0.000	0.000
151	A	163	ASN	0	-0.007	0.005	21.400	-0.535	-0.535	0.000	0.000	0.000	0.000
152	A	164	LYS	1	0.758	0.888	17.467	-62.329	-62.329	0.000	0.000	0.000	0.000
153	A	165	TYR	0	0.000	-0.028	21.487	0.843	0.843	0.000	0.000	0.000	0.000
154	A	166	GLY	0	0.031	0.029	22.213	-0.011	-0.011	0.000	0.000	0.000	0.000
155	A	167	ARG	1	0.783	0.880	15.516	-67.184	-67.184	0.000	0.000	0.000	0.000
156	A	168	PRO	0	-0.024	0.014	13.776	-0.248	-0.248	0.000	0.000	0.000	0.000
157	A	169	LEU	0	-0.019	-0.001	13.286	-2.140	-2.140	0.000	0.000	0.000	0.000
158	A	170	LEU	0	-0.006	0.000	10.286	5.978	5.978	0.000	0.000	0.000	0.000
159	A	171	GLY	0	0.035	0.003	8.446	-5.763	-5.763	0.000	0.000	0.000	0.000
164	A	176	PRO	0	0.053	0.057	6.978	-8.667	-8.667	0.000	0.000	0.000	0.000
166	A	178	LEU	0	-0.012	-0.005	7.457	-6.067	-6.067	0.000	0.000	0.000	0.000
167	A	179	GLY	0	0.048	0.019	10.994	-0.072	-0.072	0.000	0.000	0.000	0.000
168	A	180	LEU	0	-0.042	-0.008	11.208	-5.488	-5.488	0.000	0.000	0.000	0.000
169	A	181	SER	0	0.068	0.029	14.392	-0.349	-0.349	0.000	0.000	0.000	0.000
170	A	182	ALA	0	0.086	0.033	16.038	2.447	2.447	0.000	0.000	0.000	0.000
171	A	183	LYS	1	0.964	0.987	17.028	-46.892	-46.892	0.000	0.000	0.000	0.000
172	A	184	ASN	0	-0.014	-0.022	15.918	-1.524	-1.524	0.000	0.000	0.000	0.000
173	A	185	TYR	0	0.092	0.042	8.180	2.007	2.007	0.000	0.000	0.000	0.000
174	A	186	GLY	0	0.056	0.032	13.660	2.398	2.398	0.000	0.000	0.000	0.000
175	A	187	ARG	1	0.880	0.937	16.051	-56.709	-56.709	0.000	0.000	0.000	0.000
176	A	188	ALA	0	0.002	-0.001	11.457	-0.454	-0.454	0.000	0.000	0.000	0.000
177	A	189	VAL	0	0.062	0.020	11.245	1.766	1.766	0.000	0.000	0.000	0.000
178	A	190	TYR	0	-0.079	-0.060	13.194	-0.734	-0.734	0.000	0.000	0.000	0.000
179	A	191	GLU	-1	-0.912	-0.969	14.813	57.932	57.932	0.000	0.000	0.000	0.000
180	A	192	CYS	0	-0.040	-0.018	9.529	-0.392	-0.392	0.000	0.000	0.000	0.000
181	A	193	LEU	0	0.032	0.020	12.845	-1.165	-1.165	0.000	0.000	0.000	0.000
182	A	194	ARG	1	0.719	0.834	14.858	-56.623	-56.623	0.000	0.000	0.000	0.000
183	A	195	GLY	0	-0.051	-0.019	15.675	-3.048	-3.048	0.000	0.000	0.000	0.000
184	A	196	GLY	0	0.032	0.013	16.038	-0.070	-0.070	0.000	0.000	0.000	0.000
185	A	197	LEU	0	-0.029	-0.003	9.402	0.267	0.267	0.000	0.000	0.000	0.000
186	A	198	ASP	-1	-0.746	-0.836	13.017	67.671	67.671	0.000	0.000	0.000	0.000
187	A	199	PHE	0	0.014	-0.009	10.227	-3.690	-3.690	0.000	0.000	0.000	0.000
188	A	200	THR	0	-0.042	-0.046	8.412	2.509	2.509	0.000	0.000	0.000	0.000
190	A	202	ASP	-1	-0.720	-0.843	6.733	86.866	86.866	0.000	0.000	0.000	0.000
194	A	205	ASN	0	0.017	0.000	5.699	-4.275	-4.275	0.000	0.000	0.000	0.000
195	A	206	VAL	0	-0.057	-0.005	8.371	-9.332	-9.332	0.000	0.000	0.000	0.000
196	A	207	ASN	0	-0.037	-0.011	10.254	-2.560	-2.560	0.000	0.000	0.000	0.000
197	A	208	SER	0	0.030	-0.003	13.041	-2.027	-2.027	0.000	0.000	0.000	0.000
198	A	209	GLN	0	0.017	0.001	12.416	-1.340	-1.340	0.000	0.000	0.000	0.000
199	A	210	PRO	0	-0.009	-0.003	17.533	-0.887	-0.887	0.000	0.000	0.000	0.000
200	A	211	PHE	0	-0.041	-0.003	12.945	-1.575	-1.575	0.000	0.000	0.000	0.000
201	A	212	MET	0	-0.056	-0.021	12.204	-0.493	-0.493	0.000	0.000	0.000	0.000
202	A	213	ARG	1	0.824	0.923	16.816	-50.776	-50.776	0.000	0.000	0.000	0.000
203	A	214	TRP	0	0.048	0.016	16.585	0.375	0.375	0.000	0.000	0.000	0.000
204	A	215	ARG	1	0.966	0.997	17.602	-44.071	-44.071	0.000	0.000	0.000	0.000
205	A	216	ASP	-1	-0.885	-0.951	20.087	48.551	48.551	0.000	0.000	0.000	0.000
206	A	217	ARG	1	0.796	0.874	12.383	-75.132	-75.132	0.000	0.000	0.000	0.000
207	A	218	PHE	0	0.013	-0.008	14.692	0.634	0.634	0.000	0.000	0.000	0.000
208	A	219	LEU	0	0.005	0.011	17.763	-0.572	-0.572	0.000	0.000	0.000	0.000
209	A	220	PHE	0	-0.003	-0.014	18.397	-0.945	-0.945	0.000	0.000	0.000	0.000
210	A	221	CYS	0	-0.034	-0.016	13.129	0.573	0.573	0.000	0.000	0.000	0.000
211	A	222	ALA	0	0.032	0.029	16.571	0.553	0.553	0.000	0.000	0.000	0.000
212	A	223	GLU	-1	-0.979	-0.984	19.416	46.689	46.689	0.000	0.000	0.000	0.000
213	A	224	ALA	0	-0.025	-0.015	16.687	-0.959	-0.959	0.000	0.000	0.000	0.000
214	A	225	ILE	0	0.021	0.010	15.557	0.085	0.085	0.000	0.000	0.000	0.000
215	A	226	TYR	0	-0.018	-0.020	18.203	-0.692	-0.692	0.000	0.000	0.000	0.000
216	A	227	LYS	1	0.924	0.980	21.398	-48.889	-48.889	0.000	0.000	0.000	0.000
217	A	228	SER	0	0.011	-0.009	18.170	-0.724	-0.724	0.000	0.000	0.000	0.000
218	A	229	GLN	0	0.038	0.031	20.350	1.332	1.332	0.000	0.000	0.000	0.000
219	A	230	ALA	0	-0.032	-0.010	21.716	-1.502	-1.502	0.000	0.000	0.000	0.000
220	A	231	GLU	-1	-0.838	-0.888	22.076	49.945	49.945	0.000	0.000	0.000	0.000
221	A	232	THR	0	-0.011	-0.027	19.488	-1.153	-1.153	0.000	0.000	0.000	0.000
222	A	233	GLY	0	-0.012	0.000	22.876	-1.170	-1.170	0.000	0.000	0.000	0.000
223	A	234	GLU	-1	-0.789	-0.886	19.450	56.711	56.711	0.000	0.000	0.000	0.000
224	A	235	ILE	0	-0.017	-0.007	19.465	0.412	0.412	0.000	0.000	0.000	0.000
225	A	236	LYS	1	0.861	0.958	16.411	-61.826	-61.826	0.000	0.000	0.000	0.000
226	A	237	GLY	0	0.002	-0.008	14.880	-2.829	-2.829	0.000	0.000	0.000	0.000
227	A	238	HIS	0	-0.013	-0.006	9.439	3.393	3.393	0.000	0.000	0.000	0.000
228	A	239	TYR	0	-0.020	-0.026	7.080	-8.049	-8.049	0.000	0.000	0.000	0.000
229	A	240	LEU	0	-0.021	0.001	10.200	3.069	3.069	0.000	0.000	0.000	0.000
230	A	241	ASN	0	-0.002	-0.013	8.426	-4.711	-4.711	0.000	0.000	0.000	0.000
231	A	242	ALA	0	-0.011	-0.009	11.296	-4.042	-4.042	0.000	0.000	0.000	0.000
232	A	243	THR	0	-0.003	0.006	10.093	-4.972	-4.972	0.000	0.000	0.000	0.000
233	A	244	ALA	0	0.000	-0.004	13.222	-0.917	-0.917	0.000	0.000	0.000	0.000
234	A	245	GLY	0	0.041	0.021	16.331	0.856	0.856	0.000	0.000	0.000	0.000
235	A	246	THR	0	0.037	0.023	18.990	-0.445	-0.445	0.000	0.000	0.000	0.000
236	B	247	CYS	0	0.050	-0.004	20.288	1.111	1.111	0.000	0.000	0.000	0.000
237	A	248	GLU	-1	-0.827	-0.896	21.632	44.610	44.610	0.000	0.000	0.000	0.000
238	A	249	GLU	-1	-0.830	-0.907	19.817	49.057	49.057	0.000	0.000	0.000	0.000
239	A	250	MET	0	-0.016	0.016	16.404	1.264	1.264	0.000	0.000	0.000	0.000
240	A	251	ILE	0	0.009	-0.003	18.591	0.765	0.765	0.000	0.000	0.000	0.000
241	A	252	LYS	1	0.836	0.911	21.239	-46.257	-46.257	0.000	0.000	0.000	0.000
242	A	253	ARG	1	0.745	0.851	15.817	-59.537	-59.537	0.000	0.000	0.000	0.000
243	A	254	ALA	0	0.052	0.028	18.163	0.649	0.649	0.000	0.000	0.000	0.000
244	A	255	VAL	0	-0.002	-0.003	19.090	-0.891	-0.891	0.000	0.000	0.000	0.000
245	A	256	PHE	0	-0.059	-0.018	20.568	-0.746	-0.746	0.000	0.000	0.000	0.000
246	A	257	ALA	0	0.026	0.008	17.662	-0.455	-0.455	0.000	0.000	0.000	0.000
247	A	258	ARG	1	0.920	0.956	19.712	-43.432	-43.432	0.000	0.000	0.000	0.000
248	A	259	GLU	-1	-0.985	-0.992	22.465	40.644	40.644	0.000	0.000	0.000	0.000
249	A	260	LEU	0	-0.056	-0.023	20.098	-0.899	-0.899	0.000	0.000	0.000	0.000
250	A	261	GLY	0	0.030	0.029	23.354	-0.279	-0.279	0.000	0.000	0.000	0.000
251	A	262	VAL	0	-0.044	-0.011	17.800	0.172	0.172	0.000	0.000	0.000	0.000
252	A	263	PRO	0	0.021	-0.004	16.890	-0.623	-0.623	0.000	0.000	0.000	0.000
253	A	264	ILE	0	-0.042	-0.010	12.078	-0.031	-0.031	0.000	0.000	0.000	0.000
254	A	265	VAL	0	-0.004	0.010	13.163	0.194	0.194	0.000	0.000	0.000	0.000
255	A	266	MET	0	-0.030	-0.001	5.319	2.311	2.311	0.000	0.000	0.000	0.000
256	A	267	HIS	0	-0.015	-0.019	9.878	-6.662	-6.662	0.000	0.000	0.000	0.000
257	A	268	ASP	-1	-0.771	-0.900	7.755	110.853	110.853	0.000	0.000	0.000	0.000
258	A	269	TYR	0	-0.043	-0.024	7.475	-2.959	-2.959	0.000	0.000	0.000	0.000
259	A	270	LEU	0	-0.043	-0.010	7.974	-5.838	-5.838	0.000	0.000	0.000	0.000
260	A	271	THR	0	-0.027	-0.024	9.991	-4.165	-4.165	0.000	0.000	0.000	0.000
261	A	272	GLY	0	0.027	0.022	12.495	-4.642	-4.642	0.000	0.000	0.000	0.000
262	A	273	GLY	0	-0.010	-0.008	13.923	-5.008	-5.008	0.000	0.000	0.000	0.000
263	A	274	PHE	0	0.070	0.012	13.330	1.113	1.113	0.000	0.000	0.000	0.000
264	A	275	THR	0	0.002	0.026	16.807	-0.752	-0.752	0.000	0.000	0.000	0.000
265	A	276	ALA	0	0.035	-0.005	17.612	-1.322	-1.322	0.000	0.000	0.000	0.000
266	A	277	ASN	0	0.018	0.003	13.794	3.019	3.019	0.000	0.000	0.000	0.000
267	A	278	THR	0	0.008	0.007	16.520	0.075	0.075	0.000	0.000	0.000	0.000
268	A	279	SER	0	-0.008	-0.022	19.381	-1.115	-1.115	0.000	0.000	0.000	0.000
269	A	280	LEU	0	-0.008	-0.003	14.891	-1.369	-1.369	0.000	0.000	0.000	0.000
270	A	281	SER	0	0.019	0.003	17.549	-0.413	-0.413	0.000	0.000	0.000	0.000
271	A	282	HIS	0	-0.014	-0.012	19.089	-1.921	-1.921	0.000	0.000	0.000	0.000
272	A	283	TYR	0	0.076	0.042	20.441	-0.988	-0.988	0.000	0.000	0.000	0.000
273	A	284	CYS	0	-0.052	-0.033	17.795	-0.247	-0.247	0.000	0.000	0.000	0.000
274	A	285	ARG	1	0.854	0.925	20.402	-48.640	-48.640	0.000	0.000	0.000	0.000
275	A	286	ASP	-1	-0.943	-0.962	23.076	41.780	41.780	0.000	0.000	0.000	0.000
276	A	287	ASN	0	-0.126	-0.071	23.007	-2.850	-2.850	0.000	0.000	0.000	0.000
277	A	288	GLY	0	-0.020	0.008	22.995	0.033	0.033	0.000	0.000	0.000	0.000
278	A	289	LEU	0	-0.064	-0.031	17.892	0.681	0.681	0.000	0.000	0.000	0.000
279	A	290	LEU	0	-0.007	0.000	15.508	0.085	0.085	0.000	0.000	0.000	0.000
280	A	291	LEU	0	0.021	0.005	13.023	1.140	1.140	0.000	0.000	0.000	0.000
281	A	292	HIS	0	0.029	0.016	5.164	-7.555	-7.555	0.000	0.000	0.000	0.000
282	A	293	ILE	0	0.004	0.005	8.379	-0.643	-0.643	0.000	0.000	0.000	0.000
286	A	297	MET	0	-0.007	-0.010	6.116	-11.946	-11.946	0.000	0.000	0.000	0.000
288	A	299	ALA	0	0.020	0.027	6.658	-7.662	-7.662	0.000	0.000	0.000	0.000
289	A	300	VAL	0	-0.039	-0.010	8.397	-7.859	-7.859	0.000	0.000	0.000	0.000
290	A	301	ILE	0	-0.021	-0.018	10.758	-6.701	-6.701	0.000	0.000	0.000	0.000
291	A	302	ASP	-1	-0.787	-0.885	8.287	107.777	107.777	0.000	0.000	0.000	0.000
292	A	303	ARG	1	0.829	0.939	9.305	-94.064	-94.064	0.000	0.000	0.000	0.000
293	A	304	GLN	0	-0.020	-0.023	11.302	-4.060	-4.060	0.000	0.000	0.000	0.000
294	A	305	LYS	1	0.904	0.946	15.043	-56.085	-56.085	0.000	0.000	0.000	0.000
295	A	306	ASN	0	-0.020	-0.021	17.141	0.365	0.365	0.000	0.000	0.000	0.000
296	A	307	HIS	0	-0.014	-0.026	18.258	-3.758	-3.758	0.000	0.000	0.000	0.000
297	A	308	GLY	0	0.043	0.042	15.973	2.961	2.961	0.000	0.000	0.000	0.000
298	A	309	MET	0	-0.037	-0.034	14.229	-3.776	-3.776	0.000	0.000	0.000	0.000
299	A	310	HIS	0	0.045	0.045	11.958	5.299	5.299	0.000	0.000	0.000	0.000
300	A	311	PHE	0	0.063	0.024	6.846	1.999	1.999	0.000	0.000	0.000	0.000
301	A	312	ARG	1	0.893	0.929	10.558	-64.199	-64.199	0.000	0.000	0.000	0.000
302	A	313	VAL	0	-0.022	0.003	13.096	-2.529	-2.529	0.000	0.000	0.000	0.000
303	A	314	LEU	0	-0.013	-0.007	9.797	-1.567	-1.567	0.000	0.000	0.000	0.000
304	A	315	ALA	0	0.006	0.005	10.126	0.236	0.236	0.000	0.000	0.000	0.000
305	A	316	LYS	1	0.849	0.923	11.365	-58.055	-58.055	0.000	0.000	0.000	0.000
306	A	317	ALA	0	0.001	0.008	14.031	-2.374	-2.374	0.000	0.000	0.000	0.000
307	A	318	LEU	0	0.007	0.008	10.367	-2.187	-2.187	0.000	0.000	0.000	0.000
308	A	319	ARG	1	0.780	0.897	13.281	-61.045	-61.045	0.000	0.000	0.000	0.000
309	A	320	LEU	0	-0.021	-0.008	15.498	-3.075	-3.075	0.000	0.000	0.000	0.000
310	A	321	SER	0	-0.048	-0.026	15.662	-1.008	-1.008	0.000	0.000	0.000	0.000
311	A	322	GLY	0	-0.011	-0.014	15.906	-2.521	-2.521	0.000	0.000	0.000	0.000
312	A	323	GLY	0	0.054	-0.003	13.242	2.489	2.489	0.000	0.000	0.000	0.000
313	A	324	ASP	-1	-0.747	-0.866	14.282	62.273	62.273	0.000	0.000	0.000	0.000
314	A	325	HIS	1	0.733	0.845	9.528	-90.001	-90.001	0.000	0.000	0.000	0.000
315	A	326	ILE	0	0.027	0.012	6.644	-1.864	-1.864	0.000	0.000	0.000	0.000
320	A	331	VAL	0	-0.001	0.032	7.055	-12.851	-12.851	0.000	0.000	0.000	0.000
321	A	332	VAL	0	-0.009	-0.025	9.179	-4.106	-4.106	0.000	0.000	0.000	0.000
322	A	333	GLY	0	0.004	0.012	7.229	-4.458	-4.458	0.000	0.000	0.000	0.000
326	A	337	GLY	0	0.026	-0.002	6.013	11.490	11.490	0.000	0.000	0.000	0.000
327	A	338	ASP	-1	-0.830	-0.918	7.973	67.639	67.639	0.000	0.000	0.000	0.000
328	A	339	ARG	1	0.972	1.003	11.670	-66.610	-66.610	0.000	0.000	0.000	0.000
329	A	340	GLU	-1	-0.871	-0.939	13.205	61.074	61.074	0.000	0.000	0.000	0.000
330	A	341	SER	0	-0.030	-0.026	12.490	-1.890	-1.890	0.000	0.000	0.000	0.000
331	A	342	THR	0	-0.064	-0.047	9.269	3.649	3.649	0.000	0.000	0.000	0.000
332	A	343	LEU	0	0.004	-0.002	11.372	0.626	0.626	0.000	0.000	0.000	0.000
333	A	344	GLY	0	0.022	0.031	14.569	-2.149	-2.149	0.000	0.000	0.000	0.000
334	A	345	PHE	0	-0.009	-0.026	8.097	-1.568	-1.568	0.000	0.000	0.000	0.000
335	A	346	VAL	0	-0.002	-0.004	10.810	1.878	1.878	0.000	0.000	0.000	0.000
336	A	347	ASP	-1	-0.761	-0.851	13.141	59.634	59.634	0.000	0.000	0.000	0.000
337	A	348	LEU	0	-0.103	-0.044	15.376	-2.065	-2.065	0.000	0.000	0.000	0.000
338	A	349	LEU	0	-0.048	-0.017	10.212	-0.882	-0.882	0.000	0.000	0.000	0.000
339	A	350	ARG	1	0.825	0.895	14.189	-72.846	-72.846	0.000	0.000	0.000	0.000
340	A	351	ASP	-1	-0.869	-0.919	16.774	54.312	54.312	0.000	0.000	0.000	0.000
341	A	352	ASP	-1	-0.888	-0.952	20.268	45.568	45.568	0.000	0.000	0.000	0.000
342	A	353	TYR	0	-0.010	-0.009	23.400	-1.185	-1.185	0.000	0.000	0.000	0.000
343	A	354	VAL	0	0.009	0.014	19.602	0.746	0.746	0.000	0.000	0.000	0.000
344	A	355	GLU	-1	-0.888	-0.954	22.954	39.730	39.730	0.000	0.000	0.000	0.000
345	A	356	LYS	1	0.922	0.954	23.490	-38.405	-38.405	0.000	0.000	0.000	0.000
346	A	357	ASP	-1	-0.771	-0.873	22.167	48.470	48.470	0.000	0.000	0.000	0.000
347	A	358	ARG	1	0.842	0.924	21.523	-43.819	-43.819	0.000	0.000	0.000	0.000
348	A	359	SER	0	-0.077	-0.043	21.326	1.766	1.766	0.000	0.000	0.000	0.000
349	A	360	ARG	1	0.896	0.923	17.706	-55.508	-55.508	0.000	0.000	0.000	0.000
350	A	361	GLY	0	-0.040	-0.035	17.213	3.061	3.061	0.000	0.000	0.000	0.000
351	A	362	ILE	0	-0.052	-0.003	18.506	0.855	0.855	0.000	0.000	0.000	0.000
352	A	363	PHE	0	-0.019	-0.026	19.322	-2.617	-2.617	0.000	0.000	0.000	0.000
353	A	364	PHE	0	-0.052	-0.038	22.459	-2.671	-2.671	0.000	0.000	0.000	0.000
354	A	365	THR	0	0.033	0.025	23.056	1.890	1.890	0.000	0.000	0.000	0.000
355	A	366	GLN	0	-0.085	-0.043	20.307	-0.018	-0.018	0.000	0.000	0.000	0.000
356	A	367	ASP	-1	-0.834	-0.922	23.433	42.102	42.102	0.000	0.000	0.000	0.000
357	A	368	TRP	0	-0.015	-0.013	17.722	0.424	0.424	0.000	0.000	0.000	0.000
358	A	369	VAL	0	-0.034	-0.013	23.522	-0.003	-0.003	0.000	0.000	0.000	0.000
359	A	370	SER	0	-0.051	-0.033	25.495	-1.302	-1.302	0.000	0.000	0.000	0.000
360	A	371	LEU	0	-0.054	-0.010	19.911	0.259	0.259	0.000	0.000	0.000	0.000
361	A	372	PRO	0	0.009	0.011	19.839	1.017	1.017	0.000	0.000	0.000	0.000
362	A	373	GLY	0	0.054	0.041	17.954	1.325	1.325	0.000	0.000	0.000	0.000
363	A	374	VAL	0	-0.029	-0.025	11.862	0.088	0.088	0.000	0.000	0.000	0.000
364	A	375	LEU	0	0.009	0.001	12.132	0.621	0.621	0.000	0.000	0.000	0.000
365	A	376	PRO	0	-0.030	0.001	9.112	5.924	5.924	0.000	0.000	0.000	0.000
366	A	377	VAL	0	0.014	-0.008	5.310	-3.616	-3.616	0.000	0.000	0.000	0.000
372	A	383	HIS	0	0.019	-0.018	5.916	7.353	7.353	0.000	0.000	0.000	0.000
373	A	384	VAL	0	0.048	0.017	8.631	-3.678	-3.678	0.000	0.000	0.000	0.000
374	A	385	TRP	0	-0.035	-0.018	11.906	-6.486	-6.486	0.000	0.000	0.000	0.000
375	A	386	HIS	0	0.028	0.019	9.079	0.538	0.538	0.000	0.000	0.000	0.000
376	A	387	MET	0	-0.018	0.022	10.868	1.601	1.601	0.000	0.000	0.000	0.000
377	A	388	PRO	0	0.046	0.018	13.459	-0.614	-0.614	0.000	0.000	0.000	0.000
378	A	389	ALA	0	0.029	0.020	14.754	-1.625	-1.625	0.000	0.000	0.000	0.000
379	A	390	LEU	0	-0.017	-0.008	9.492	1.054	1.054	0.000	0.000	0.000	0.000
380	A	391	THR	0	-0.016	-0.028	13.174	-0.289	-0.289	0.000	0.000	0.000	0.000
381	A	392	GLU	-1	-0.975	-0.987	15.892	59.243	59.243	0.000	0.000	0.000	0.000
382	A	393	ILE	0	-0.050	-0.010	12.170	-1.501	-1.501	0.000	0.000	0.000	0.000
383	A	394	PHE	0	-0.029	-0.013	8.593	-0.190	-0.190	0.000	0.000	0.000	0.000
384	A	395	GLY	0	0.054	0.038	13.865	-2.874	-2.874	0.000	0.000	0.000	0.000
385	A	396	ASP	-1	-0.780	-0.906	15.473	63.447	63.447	0.000	0.000	0.000	0.000
386	A	397	ASP	-1	-0.832	-0.894	15.891	63.545	63.545	0.000	0.000	0.000	0.000
387	A	398	SER	0	0.007	0.000	10.818	3.832	3.832	0.000	0.000	0.000	0.000
388	A	399	VAL	0	-0.008	0.003	9.125	-4.058	-4.058	0.000	0.000	0.000	0.000
389	A	400	LEU	0	0.022	0.017	8.460	11.496	11.496	0.000	0.000	0.000	0.000
395	A	406	THR	0	-0.037	-0.014	5.993	-19.664	-19.664	0.000	0.000	0.000	0.000
396	A	407	LEU	0	-0.025	-0.025	6.071	-13.270	-13.270	0.000	0.000	0.000	0.000
397	A	408	GLY	0	0.040	0.020	7.363	-6.091	-6.091	0.000	0.000	0.000	0.000
398	A	409	HIS	0	-0.027	0.008	8.566	-6.108	-6.108	0.000	0.000	0.000	0.000
399	A	410	PRO	0	-0.001	-0.010	11.596	-1.847	-1.847	0.000	0.000	0.000	0.000
400	A	411	TRP	0	-0.036	-0.049	14.813	-4.163	-4.163	0.000	0.000	0.000	0.000
401	A	412	GLY	0	0.023	0.027	13.455	-2.920	-2.920	0.000	0.000	0.000	0.000
402	A	413	ASN	0	0.034	0.008	10.950	2.969	2.969	0.000	0.000	0.000	0.000
403	A	414	ALA	0	0.058	0.046	12.601	1.915	1.915	0.000	0.000	0.000	0.000
404	A	415	PRO	0	-0.002	-0.022	15.385	0.066	0.066	0.000	0.000	0.000	0.000
405	A	416	GLY	0	0.034	0.013	11.583	0.087	0.087	0.000	0.000	0.000	0.000
406	A	417	ALA	0	-0.020	0.005	11.504	3.448	3.448	0.000	0.000	0.000	0.000
407	A	418	VAL	0	-0.009	0.004	12.448	-0.742	-0.742	0.000	0.000	0.000	0.000
408	A	419	ALA	0	-0.042	-0.011	13.013	-1.504	-1.504	0.000	0.000	0.000	0.000
409	A	420	ASN	0	0.002	-0.006	8.564	-1.617	-1.617	0.000	0.000	0.000	0.000
410	A	421	ARG	1	0.766	0.865	12.150	-63.497	-63.497	0.000	0.000	0.000	0.000
411	A	422	VAL	0	-0.007	-0.007	14.892	-2.437	-2.437	0.000	0.000	0.000	0.000
412	A	423	ALA	0	-0.008	-0.003	14.084	-2.110	-2.110	0.000	0.000	0.000	0.000
413	A	424	LEU	0	0.019	0.000	13.688	-1.565	-1.565	0.000	0.000	0.000	0.000
414	A	425	GLU	-1	-0.727	-0.881	15.788	53.957	53.957	0.000	0.000	0.000	0.000
415	A	426	ALA	0	0.008	0.008	19.050	-2.675	-2.675	0.000	0.000	0.000	0.000
416	A	427	CYS	0	-0.064	-0.025	17.489	-1.325	-1.325	0.000	0.000	0.000	0.000
417	A	428	VAL	0	-0.004	0.004	18.782	-1.641	-1.641	0.000	0.000	0.000	0.000
418	A	429	GLN	0	0.042	0.020	21.282	-0.398	-0.398	0.000	0.000	0.000	0.000
419	A	430	ALA	0	-0.036	-0.012	22.995	-1.883	-1.883	0.000	0.000	0.000	0.000
420	A	431	ARG	1	0.848	0.903	19.828	-58.093	-58.093	0.000	0.000	0.000	0.000
421	A	432	ASN	0	-0.034	-0.028	24.564	-0.451	-0.451	0.000	0.000	0.000	0.000
422	A	433	GLU	-1	-0.901	-0.960	26.908	39.334	39.334	0.000	0.000	0.000	0.000
423	A	434	GLY	0	-0.089	-0.043	28.299	-1.445	-1.445	0.000	0.000	0.000	0.000
424	A	435	ARG	1	0.784	0.884	25.973	-45.708	-45.708	0.000	0.000	0.000	0.000
425	A	436	ASP	-1	-0.859	-0.928	24.746	51.139	51.139	0.000	0.000	0.000	0.000
426	A	437	LEU	0	-0.020	-0.018	19.342	0.808	0.808	0.000	0.000	0.000	0.000
427	A	438	ALA	0	-0.021	-0.004	21.142	2.425	2.425	0.000	0.000	0.000	0.000
428	A	439	VAL	0	-0.049	-0.022	22.122	-0.125	-0.125	0.000	0.000	0.000	0.000
429	A	440	GLU	-1	-0.857	-0.952	24.684	44.360	44.360	0.000	0.000	0.000	0.000
430	A	441	GLY	0	0.050	0.031	20.213	0.323	0.323	0.000	0.000	0.000	0.000
431	A	442	ASN	0	-0.024	-0.041	19.035	2.878	2.878	0.000	0.000	0.000	0.000
432	A	443	GLU	-1	-0.936	-0.971	21.057	45.260	45.260	0.000	0.000	0.000	0.000
433	A	444	ILE	0	0.039	0.029	20.590	-0.614	-0.614	0.000	0.000	0.000	0.000
434	A	445	ILE	0	-0.004	-0.002	16.623	0.040	0.040	0.000	0.000	0.000	0.000
435	A	446	ARG	1	0.913	0.947	19.925	-51.569	-51.569	0.000	0.000	0.000	0.000
436	A	447	GLU	-1	-0.798	-0.876	22.627	44.106	44.106	0.000	0.000	0.000	0.000
437	A	448	ALA	0	0.026	0.023	20.361	-1.295	-1.295	0.000	0.000	0.000	0.000
438	A	449	CYS	0	-0.067	-0.034	20.208	0.550	0.550	0.000	0.000	0.000	0.000
439	A	450	LYS	1	0.879	0.952	22.003	-43.680	-43.680	0.000	0.000	0.000	0.000
440	A	451	TRP	0	0.033	0.019	21.922	-1.543	-1.543	0.000	0.000	0.000	0.000
441	A	452	SER	0	0.011	0.034	19.811	0.724	0.724	0.000	0.000	0.000	0.000
442	A	453	PRO	0	-0.017	-0.036	20.960	1.064	1.064	0.000	0.000	0.000	0.000
443	A	454	GLU	-1	-0.875	-0.943	17.051	54.307	54.307	0.000	0.000	0.000	0.000
444	A	455	LEU	0	0.059	0.025	15.484	3.860	3.860	0.000	0.000	0.000	0.000
445	A	456	ALA	0	0.022	0.007	17.041	1.913	1.913	0.000	0.000	0.000	0.000
446	A	457	ALA	0	-0.039	-0.021	17.366	0.532	0.532	0.000	0.000	0.000	0.000
447	A	458	ALA	0	-0.002	-0.002	12.904	2.051	2.051	0.000	0.000	0.000	0.000
448	A	459	CYS	0	-0.083	-0.048	14.117	3.300	3.300	0.000	0.000	0.000	0.000
449	A	460	GLU	-1	-0.919	-0.955	16.325	55.048	55.048	0.000	0.000	0.000	0.000
450	A	461	VAL	0	-0.042	-0.010	12.377	-0.153	-0.153	0.000	0.000	0.000	0.000
451	A	462	TRP	0	-0.033	-0.025	8.493	2.069	2.069	0.000	0.000	0.000	0.000
452	A	463	LYS	1	0.878	0.963	13.137	-55.972	-55.972	0.000	0.000	0.000	0.000
453	A	464	GLU	-1	-0.915	-0.962	15.925	57.828	57.828	0.000	0.000	0.000	0.000
454	A	465	ILE	0	-0.049	-0.013	9.789	1.156	1.156	0.000	0.000	0.000	0.000
455	A	466	THR	0	-0.008	-0.004	12.066	3.275	3.275	0.000	0.000	0.000	0.000
456	A	467	PHE	0	0.025	0.019	7.192	1.227	1.227	0.000	0.000	0.000	0.000
457	A	468	ASN	0	-0.052	-0.037	11.933	0.035	0.035	0.000	0.000	0.000	0.000
458	A	469	PHE	0	0.064	0.028	12.594	-2.327	-2.327	0.000	0.000	0.000	0.000
459	A	470	PRO	0	-0.011	-0.010	14.901	1.099	1.099	0.000	0.000	0.000	0.000
460	A	471	THR	0	-0.062	-0.026	12.308	1.779	1.779	0.000	0.000	0.000	0.000
461	A	472	ILE	0	-0.026	0.014	12.802	-4.302	-4.302	0.000	0.000	0.000	0.000
462	A	473	ASP	-1	-0.802	-0.857	12.152	68.119	68.119	0.000	0.000	0.000	0.000
463	A	474	LYS	1	0.933	0.962	13.678	-64.243	-64.243	0.000	0.000	0.000	0.000
464	A	475	LEU	0	-0.012	0.017	16.421	-5.102	-5.102	0.000	0.000	0.000	0.000
465	B	13	PHE	0	-0.023	-0.020	11.557	-1.512	-1.512	0.000	0.000	0.000	0.000
466	B	14	LYS	1	0.956	0.983	15.520	-63.759	-63.759	0.000	0.000	0.000	0.000
467	B	15	ALA	0	0.023	0.018	12.499	2.746	2.746	0.000	0.000	0.000	0.000
468	B	16	GLY	0	0.058	0.020	11.374	-4.568	-4.568	0.000	0.000	0.000	0.000
469	B	17	VAL	0	0.004	0.006	9.272	2.887	2.887	0.000	0.000	0.000	0.000
470	B	18	LYS	1	0.882	0.944	11.517	-79.823	-79.823	0.000	0.000	0.000	0.000
471	B	19	GLU	-1	-0.892	-0.947	12.333	66.776	66.776	0.000	0.000	0.000	0.000
472	B	20	TYR	0	-0.023	-0.029	6.744	-4.787	-4.787	0.000	0.000	0.000	0.000
473	B	21	LYS	1	0.953	0.961	13.444	-59.645	-59.645	0.000	0.000	0.000	0.000
474	B	22	LEU	0	-0.057	-0.025	16.135	-3.295	-3.295	0.000	0.000	0.000	0.000
475	B	23	THR	0	-0.059	-0.025	14.080	-3.592	-3.592	0.000	0.000	0.000	0.000
476	B	24	TYR	0	-0.011	-0.013	11.180	0.897	0.897	0.000	0.000	0.000	0.000
477	B	25	TYR	0	0.010	0.013	16.307	-0.184	-0.184	0.000	0.000	0.000	0.000
478	B	26	THR	0	-0.047	-0.039	19.562	-0.228	-0.228	0.000	0.000	0.000	0.000
479	B	27	PRO	0	-0.026	0.013	22.307	-0.443	-0.443	0.000	0.000	0.000	0.000
480	B	28	GLU	-1	-0.896	-0.959	24.809	47.307	47.307	0.000	0.000	0.000	0.000
481	B	29	TYR	0	-0.082	-0.046	23.978	-0.731	-0.731	0.000	0.000	0.000	0.000
482	B	30	GLU	-1	-0.933	-0.963	26.130	38.424	38.424	0.000	0.000	0.000	0.000
483	B	31	THR	0	-0.075	-0.043	25.104	0.600	0.600	0.000	0.000	0.000	0.000
484	B	32	LYS	1	0.961	0.979	25.123	-48.081	-48.081	0.000	0.000	0.000	0.000
485	B	33	ASP	-1	-0.866	-0.937	27.030	39.763	39.763	0.000	0.000	0.000	0.000
486	B	34	THR	0	-0.068	-0.048	24.994	-0.467	-0.467	0.000	0.000	0.000	0.000
487	B	35	ASP	-1	-0.806	-0.885	22.591	52.432	52.432	0.000	0.000	0.000	0.000
488	B	36	ILE	0	-0.006	0.007	18.774	-2.034	-2.034	0.000	0.000	0.000	0.000
489	B	37	LEU	0	-0.045	-0.008	20.336	2.049	2.049	0.000	0.000	0.000	0.000
490	B	38	ALA	0	0.041	0.028	17.677	-0.245	-0.245	0.000	0.000	0.000	0.000
491	B	39	ALA	0	0.006	0.018	19.613	-0.279	-0.279	0.000	0.000	0.000	0.000
492	B	40	PHE	0	0.003	-0.007	13.793	0.156	0.156	0.000	0.000	0.000	0.000
493	B	41	ARG	1	0.841	0.921	18.791	-51.645	-51.645	0.000	0.000	0.000	0.000
494	B	42	VAL	0	0.037	0.008	16.472	3.372	3.372	0.000	0.000	0.000	0.000
495	B	43	THR	0	0.016	0.008	17.616	-5.043	-5.043	0.000	0.000	0.000	0.000
496	B	44	PRO	0	0.020	0.009	17.038	3.978	3.978	0.000	0.000	0.000	0.000
497	B	45	GLN	0	0.001	0.005	13.853	-6.911	-6.911	0.000	0.000	0.000	0.000
498	B	46	PRO	0	0.032	-0.002	18.011	-1.393	-1.393	0.000	0.000	0.000	0.000
499	B	47	GLY	0	-0.018	-0.004	20.440	1.849	1.849	0.000	0.000	0.000	0.000
500	B	48	VAL	0	-0.051	-0.011	16.546	0.387	0.387	0.000	0.000	0.000	0.000
501	B	49	PRO	0	-0.005	0.013	18.890	-1.176	-1.176	0.000	0.000	0.000	0.000
502	B	50	PRO	0	0.086	0.018	19.638	3.341	3.341	0.000	0.000	0.000	0.000
503	B	51	GLU	-1	-0.887	-0.951	19.824	54.192	54.192	0.000	0.000	0.000	0.000
504	B	52	GLU	-1	-0.785	-0.905	14.101	78.629	78.629	0.000	0.000	0.000	0.000
505	B	53	ALA	0	-0.016	-0.002	15.362	5.018	5.018	0.000	0.000	0.000	0.000
506	B	54	GLY	0	0.022	0.002	15.013	3.869	3.869	0.000	0.000	0.000	0.000
507	B	55	ALA	0	-0.021	-0.001	15.597	2.054	2.054	0.000	0.000	0.000	0.000
508	B	56	ALA	0	0.012	0.004	11.268	4.012	4.012	0.000	0.000	0.000	0.000
509	B	57	VAL	0	0.005	0.011	10.820	8.025	8.025	0.000	0.000	0.000	0.000
510	B	58	ALA	0	0.015	0.023	11.803	3.060	3.060	0.000	0.000	0.000	0.000
511	B	59	ALA	0	-0.002	0.009	10.347	1.613	1.613	0.000	0.000	0.000	0.000
512	B	60	GLU	-1	-0.787	-0.883	5.500	178.801	178.801	0.000	0.000	0.000	0.000
513	B	61	SER	0	-0.025	0.003	7.321	5.606	5.606	0.000	0.000	0.000	0.000
514	B	62	SER	0	-0.024	-0.032	9.979	-6.897	-6.897	0.000	0.000	0.000	0.000
515	B	63	THR	0	-0.029	-0.023	10.061	-0.175	-0.175	0.000	0.000	0.000	0.000
516	B	64	GLY	0	-0.008	0.002	8.158	1.237	1.237	0.000	0.000	0.000	0.000
519	B	67	THR	0	-0.004	-0.004	5.347	-21.604	-21.604	0.000	0.000	0.000	0.000
520	B	68	THR	0	-0.056	-0.020	6.847	4.262	4.262	0.000	0.000	0.000	0.000
521	B	69	VAL	0	0.030	0.012	5.774	0.257	0.257	0.000	0.000	0.000	0.000
522	B	70	TRP	0	-0.027	-0.021	8.921	-8.341	-8.341	0.000	0.000	0.000	0.000
523	B	71	THR	0	-0.055	-0.090	9.470	-4.986	-4.986	0.000	0.000	0.000	0.000
524	B	72	ASP	-1	-0.828	-0.916	10.627	85.967	85.967	0.000	0.000	0.000	0.000
525	B	73	GLY	0	-0.063	-0.028	12.876	-3.774	-3.774	0.000	0.000	0.000	0.000
526	B	74	LEU	0	-0.095	-0.042	14.647	-3.807	-3.807	0.000	0.000	0.000	0.000
527	B	75	THR	0	-0.048	-0.013	14.505	-3.351	-3.351	0.000	0.000	0.000	0.000
528	B	76	SER	0	-0.008	-0.007	17.370	-1.641	-1.641	0.000	0.000	0.000	0.000
529	B	77	LEU	0	0.074	0.019	12.155	-0.361	-0.361	0.000	0.000	0.000	0.000
530	B	78	ASP	-1	-0.921	-0.941	16.137	54.086	54.086	0.000	0.000	0.000	0.000
531	B	79	ARG	1	0.882	0.925	19.643	-52.875	-52.875	0.000	0.000	0.000	0.000
532	B	80	TYR	0	-0.034	-0.016	15.273	-0.934	-0.934	0.000	0.000	0.000	0.000
533	B	81	LYS	1	0.883	0.956	14.658	-59.062	-59.062	0.000	0.000	0.000	0.000
534	B	82	GLY	0	0.050	0.015	14.622	-3.999	-3.999	0.000	0.000	0.000	0.000
535	B	83	ARG	1	0.863	0.939	16.281	-54.445	-54.445	0.000	0.000	0.000	0.000
536	B	84	CYS	0	0.011	0.012	17.928	-1.345	-1.345	0.000	0.000	0.000	0.000
537	B	85	TYR	0	0.016	-0.003	19.550	-0.429	-0.429	0.000	0.000	0.000	0.000
538	B	86	HIS	0	0.022	0.014	22.892	-1.731	-1.731	0.000	0.000	0.000	0.000
539	B	87	ILE	0	0.013	0.004	21.002	2.595	2.595	0.000	0.000	0.000	0.000
540	B	88	GLU	-1	-0.910	-0.938	24.588	41.661	41.661	0.000	0.000	0.000	0.000
541	B	89	PRO	0	0.038	-0.002	26.105	1.591	1.591	0.000	0.000	0.000	0.000
542	B	90	VAL	0	-0.006	0.012	25.165	-0.698	-0.698	0.000	0.000	0.000	0.000
543	B	91	PRO	0	-0.045	-0.032	28.302	-0.518	-0.518	0.000	0.000	0.000	0.000
544	B	92	GLY	0	-0.010	-0.006	31.028	-0.098	-0.098	0.000	0.000	0.000	0.000
545	B	93	GLU	-1	-0.954	-0.977	25.341	44.037	44.037	0.000	0.000	0.000	0.000
546	B	94	GLU	-1	-0.972	-0.973	27.671	40.966	40.966	0.000	0.000	0.000	0.000
547	B	95	THR	0	0.003	-0.004	22.436	0.429	0.429	0.000	0.000	0.000	0.000
548	B	96	GLN	0	-0.010	-0.006	21.926	0.284	0.284	0.000	0.000	0.000	0.000
549	B	97	PHE	0	-0.012	-0.009	19.020	-1.715	-1.715	0.000	0.000	0.000	0.000
550	B	98	ILE	0	-0.021	-0.007	21.905	2.391	2.391	0.000	0.000	0.000	0.000
551	B	99	ALA	0	0.008	0.003	18.771	-1.111	-1.111	0.000	0.000	0.000	0.000
552	B	100	TYR	0	-0.040	-0.019	20.252	1.018	1.018	0.000	0.000	0.000	0.000
553	B	101	VAL	0	0.000	-0.004	15.862	0.326	0.326	0.000	0.000	0.000	0.000
554	B	102	ALA	0	-0.011	0.001	19.242	-1.556	-1.556	0.000	0.000	0.000	0.000
555	B	103	TYR	0	-0.034	-0.048	13.447	1.040	1.040	0.000	0.000	0.000	0.000
556	B	104	PRO	0	0.018	0.010	17.289	-2.779	-2.779	0.000	0.000	0.000	0.000
557	B	105	LEU	0	0.065	0.019	18.771	1.936	1.936	0.000	0.000	0.000	0.000
558	B	106	ASP	-1	-0.938	-0.976	18.886	53.626	53.626	0.000	0.000	0.000	0.000
559	B	107	LEU	0	-0.070	-0.038	13.817	2.342	2.342	0.000	0.000	0.000	0.000
560	B	108	PHE	0	-0.007	0.002	14.572	4.622	4.622	0.000	0.000	0.000	0.000
561	B	109	GLU	-1	-0.808	-0.894	16.119	58.475	58.475	0.000	0.000	0.000	0.000
562	B	110	GLU	-1	-0.787	-0.893	17.829	52.038	52.038	0.000	0.000	0.000	0.000
563	B	111	GLY	0	0.035	0.027	21.227	0.270	0.270	0.000	0.000	0.000	0.000
564	B	112	SER	0	-0.026	-0.011	16.299	0.070	0.070	0.000	0.000	0.000	0.000
565	B	113	VAL	0	0.045	0.017	17.488	2.044	2.044	0.000	0.000	0.000	0.000
566	B	114	THR	0	-0.007	0.002	13.547	1.855	1.855	0.000	0.000	0.000	0.000
567	B	115	ASN	0	0.003	0.011	12.460	2.043	2.043	0.000	0.000	0.000	0.000
568	B	116	MET	0	-0.004	0.008	12.861	3.566	3.566	0.000	0.000	0.000	0.000
569	B	117	PHE	0	-0.009	-0.023	12.724	2.034	2.034	0.000	0.000	0.000	0.000
570	B	118	THR	0	0.000	0.026	7.951	3.186	3.186	0.000	0.000	0.000	0.000
571	B	119	SER	0	0.025	0.016	8.254	11.562	11.562	0.000	0.000	0.000	0.000
572	B	120	ILE	0	-0.056	-0.008	9.626	5.050	5.050	0.000	0.000	0.000	0.000
573	B	121	VAL	0	-0.004	-0.028	10.520	-0.176	-0.176	0.000	0.000	0.000	0.000
574	B	122	GLY	0	0.005	0.029	6.651	3.144	3.144	0.000	0.000	0.000	0.000
577	B	125	PHE	0	0.008	0.006	8.456	-2.931	-2.931	0.000	0.000	0.000	0.000
578	B	126	GLY	0	0.044	0.018	6.083	-6.396	-6.396	0.000	0.000	0.000	0.000
579	B	127	PHE	0	-0.017	0.002	5.502	4.296	4.296	0.000	0.000	0.000	0.000
580	B	128	LYS	1	0.811	0.908	8.488	-118.542	-118.542	0.000	0.000	0.000	0.000
581	B	129	ALA	0	-0.013	-0.001	10.419	-7.198	-7.198	0.000	0.000	0.000	0.000
582	B	130	LEU	0	-0.029	-0.019	12.024	-6.508	-6.508	0.000	0.000	0.000	0.000
583	B	131	ALA	0	0.010	-0.004	12.921	3.302	3.302	0.000	0.000	0.000	0.000
584	B	132	ALA	0	-0.013	-0.013	14.715	-0.021	-0.021	0.000	0.000	0.000	0.000
585	B	133	LEU	0	-0.015	-0.007	12.285	0.226	0.226	0.000	0.000	0.000	0.000
586	B	134	ARG	1	0.789	0.895	15.448	-51.072	-51.072	0.000	0.000	0.000	0.000
587	B	135	LEU	0	-0.028	0.016	15.680	-1.286	-1.286	0.000	0.000	0.000	0.000
588	B	136	GLU	-1	-0.780	-0.900	17.718	48.649	48.649	0.000	0.000	0.000	0.000
589	B	137	ASP	-1	-0.794	-0.903	20.985	44.256	44.256	0.000	0.000	0.000	0.000
590	B	138	LEU	0	-0.007	-0.017	17.470	2.597	2.597	0.000	0.000	0.000	0.000
591	B	139	ARG	1	0.850	0.942	21.668	-47.494	-47.494	0.000	0.000	0.000	0.000
592	B	140	ILE	0	0.014	-0.007	21.207	1.969	1.969	0.000	0.000	0.000	0.000
593	B	141	PRO	0	0.008	0.026	23.415	-2.048	-2.048	0.000	0.000	0.000	0.000
594	B	142	PRO	0	0.131	0.038	26.435	0.596	0.596	0.000	0.000	0.000	0.000
595	B	143	ALA	0	-0.024	-0.018	26.680	-0.215	-0.215	0.000	0.000	0.000	0.000
596	B	144	TYR	0	0.014	-0.003	18.699	0.629	0.629	0.000	0.000	0.000	0.000
597	B	145	THR	0	0.064	0.040	24.662	0.913	0.913	0.000	0.000	0.000	0.000
598	B	146	LYS	1	0.927	0.962	26.783	-36.242	-36.242	0.000	0.000	0.000	0.000
599	B	147	THR	0	-0.102	-0.055	23.956	-0.107	-0.107	0.000	0.000	0.000	0.000
600	B	148	PHE	0	0.018	0.009	20.794	0.942	0.942	0.000	0.000	0.000	0.000
601	B	149	GLN	0	-0.050	-0.032	26.503	-1.615	-1.615	0.000	0.000	0.000	0.000
602	B	150	GLY	0	0.048	0.031	27.738	-1.257	-1.257	0.000	0.000	0.000	0.000
603	B	151	PRO	0	-0.054	-0.019	28.919	0.043	0.043	0.000	0.000	0.000	0.000
604	B	152	PRO	0	-0.020	0.003	30.659	-0.631	-0.631	0.000	0.000	0.000	0.000
605	B	153	HIS	0	-0.057	-0.027	33.391	-1.625	-1.625	0.000	0.000	0.000	0.000
606	B	154	GLY	0	0.051	0.023	35.399	-0.201	-0.201	0.000	0.000	0.000	0.000
607	B	155	ILE	0	-0.039	-0.017	36.184	-0.906	-0.906	0.000	0.000	0.000	0.000
608	B	156	GLN	0	-0.033	-0.014	38.786	-0.252	-0.252	0.000	0.000	0.000	0.000
609	B	157	VAL	0	0.056	0.026	39.554	-0.596	-0.596	0.000	0.000	0.000	0.000
610	B	158	GLU	-1	-0.798	-0.875	38.028	30.727	30.727	0.000	0.000	0.000	0.000
611	B	159	ARG	1	0.809	0.892	41.067	-28.118	-28.118	0.000	0.000	0.000	0.000
612	B	160	ASP	-1	-0.806	-0.878	44.146	25.729	25.729	0.000	0.000	0.000	0.000
613	B	161	LYS	1	0.807	0.919	40.798	-29.699	-29.699	0.000	0.000	0.000	0.000
614	B	162	LEU	0	-0.012	-0.024	41.733	-0.535	-0.535	0.000	0.000	0.000	0.000
615	B	163	ASN	0	-0.007	0.004	46.074	-0.409	-0.409	0.000	0.000	0.000	0.000
616	B	164	LYS	1	0.744	0.870	45.305	-25.939	-25.939	0.000	0.000	0.000	0.000
617	B	165	TYR	0	-0.009	-0.037	46.729	0.419	0.419	0.000	0.000	0.000	0.000
618	B	166	GLY	0	0.028	0.023	48.087	-0.422	-0.422	0.000	0.000	0.000	0.000
619	B	167	ARG	1	0.791	0.897	46.528	-25.653	-25.653	0.000	0.000	0.000	0.000
620	B	168	PRO	0	-0.028	0.011	42.584	0.253	0.253	0.000	0.000	0.000	0.000
621	B	169	LEU	0	-0.023	-0.005	40.677	-0.570	-0.570	0.000	0.000	0.000	0.000
622	B	170	LEU	0	-0.007	-0.001	42.288	0.314	0.314	0.000	0.000	0.000	0.000
623	B	171	GLY	0	0.036	0.009	39.851	-0.080	-0.080	0.000	0.000	0.000	0.000
624	B	172	CYS	0	-0.054	-0.023	39.559	-0.356	-0.356	0.000	0.000	0.000	0.000
625	B	173	THR	0	0.104	0.022	34.629	-0.210	-0.210	0.000	0.000	0.000	0.000
626	B	174	ILE	0	-0.012	-0.010	37.637	-0.691	-0.691	0.000	0.000	0.000	0.000
627	B	175	LYS	1	0.838	0.918	34.754	-32.002	-32.002	0.000	0.000	0.000	0.000
628	B	176	PRO	0	0.050	0.037	38.295	-0.867	-0.867	0.000	0.000	0.000	0.000
629	B	177	LYS	1	0.777	0.894	30.630	-36.280	-36.280	0.000	0.000	0.000	0.000
630	B	178	LEU	0	-0.022	-0.009	30.526	0.064	0.064	0.000	0.000	0.000	0.000
631	B	179	GLY	0	0.050	0.018	35.175	-0.591	-0.591	0.000	0.000	0.000	0.000
632	B	180	LEU	0	-0.055	-0.015	38.108	-0.946	-0.946	0.000	0.000	0.000	0.000
633	B	181	SER	0	0.064	0.028	39.533	0.405	0.405	0.000	0.000	0.000	0.000
634	B	182	ALA	0	0.088	0.032	41.175	-0.049	-0.049	0.000	0.000	0.000	0.000
635	B	183	LYS	1	0.949	0.982	42.187	-23.722	-23.722	0.000	0.000	0.000	0.000
636	B	184	ASN	0	-0.005	-0.025	44.371	-0.873	-0.873	0.000	0.000	0.000	0.000
637	B	185	TYR	0	0.104	0.049	36.523	-0.193	-0.193	0.000	0.000	0.000	0.000
638	B	186	GLY	0	0.050	0.032	42.702	-0.067	-0.067	0.000	0.000	0.000	0.000
639	B	187	ARG	1	0.875	0.939	45.073	-24.355	-24.355	0.000	0.000	0.000	0.000
640	B	188	ALA	0	-0.004	-0.003	43.757	-0.381	-0.381	0.000	0.000	0.000	0.000
641	B	189	VAL	0	0.077	0.027	42.048	-0.183	-0.183	0.000	0.000	0.000	0.000
642	B	190	TYR	0	-0.068	-0.036	44.782	-0.326	-0.326	0.000	0.000	0.000	0.000
643	B	191	GLU	-1	-0.922	-0.978	48.396	22.581	22.581	0.000	0.000	0.000	0.000
644	B	192	CYS	0	-0.042	-0.015	43.837	-0.334	-0.334	0.000	0.000	0.000	0.000
645	B	193	LEU	0	0.030	0.018	43.870	-0.272	-0.272	0.000	0.000	0.000	0.000
646	B	194	ARG	1	0.737	0.855	47.574	-22.368	-22.368	0.000	0.000	0.000	0.000
647	B	195	GLY	0	-0.053	-0.021	50.244	-0.483	-0.483	0.000	0.000	0.000	0.000
648	B	196	GLY	0	0.020	0.008	50.223	-0.190	-0.190	0.000	0.000	0.000	0.000
649	B	197	LEU	0	-0.020	-0.003	43.943	0.162	0.162	0.000	0.000	0.000	0.000
650	B	198	ASP	-1	-0.748	-0.854	43.750	25.791	25.791	0.000	0.000	0.000	0.000
651	B	199	PHE	0	0.013	-0.007	39.951	0.136	0.136	0.000	0.000	0.000	0.000
652	B	200	THR	0	-0.046	-0.048	40.573	-0.552	-0.552	0.000	0.000	0.000	0.000
653	B	201	KCX	-1	-0.501	-0.798	32.375	35.898	35.898	0.000	0.000	0.000	0.000
654	B	202	ASP	-1	-0.714	-0.841	33.789	31.961	31.961	0.000	0.000	0.000	0.000
655	B	203	ASP	0	0.210	0.050	33.147	0.360	0.360	0.000	0.000	0.000	0.000
656	B	204	GLU	0	0.170	-0.016	27.596	-0.014	-0.014	0.000	0.000	0.000	0.000
657	B	501	merge:B:AS	-1	-1.773	-1.077	27.303	35.708	35.708	0.000	0.000	0.000	0.000
658	B	205	ASN	0	0.024	0.002	27.768	-0.006	-0.006	0.000	0.000	0.000	0.000
659	B	206	VAL	0	-0.050	-0.006	28.876	-0.223	-0.223	0.000	0.000	0.000	0.000
660	B	207	ASN	0	-0.012	0.012	27.076	1.476	1.476	0.000	0.000	0.000	0.000
661	B	208	SER	0	0.013	0.000	30.578	-1.925	-1.925	0.000	0.000	0.000	0.000
662	B	209	GLN	0	0.023	0.001	30.281	0.301	0.301	0.000	0.000	0.000	0.000
663	B	210	PRO	0	-0.007	0.000	32.892	-1.091	-1.091	0.000	0.000	0.000	0.000
664	B	211	PHE	0	-0.031	0.002	33.541	-1.021	-1.021	0.000	0.000	0.000	0.000
665	B	212	MET	0	-0.067	-0.026	36.440	-1.246	-1.246	0.000	0.000	0.000	0.000
666	B	213	ARG	1	0.834	0.926	32.754	-32.627	-32.627	0.000	0.000	0.000	0.000
667	B	214	TRP	0	0.059	0.014	33.667	-0.979	-0.979	0.000	0.000	0.000	0.000
668	B	215	ARG	1	0.967	1.000	36.015	-28.986	-28.986	0.000	0.000	0.000	0.000
669	B	216	ASP	-1	-0.878	-0.948	38.777	27.641	27.641	0.000	0.000	0.000	0.000
670	B	217	ARG	1	0.805	0.871	33.701	-33.596	-33.596	0.000	0.000	0.000	0.000
671	B	218	PHE	0	0.005	-0.010	34.246	-0.541	-0.541	0.000	0.000	0.000	0.000
672	B	219	LEU	0	0.007	0.010	40.144	-0.493	-0.493	0.000	0.000	0.000	0.000
673	B	220	PHE	0	-0.006	-0.014	43.655	-0.654	-0.654	0.000	0.000	0.000	0.000
674	B	221	CYS	0	-0.029	-0.011	40.283	-0.510	-0.510	0.000	0.000	0.000	0.000
675	B	222	ALA	0	0.039	0.034	43.477	-0.275	-0.275	0.000	0.000	0.000	0.000
676	B	223	GLU	-1	-0.978	-0.985	45.040	23.170	23.170	0.000	0.000	0.000	0.000
677	B	224	ALA	0	-0.028	-0.016	45.824	-0.524	-0.524	0.000	0.000	0.000	0.000
678	B	225	ILE	0	0.020	0.010	42.183	-0.362	-0.362	0.000	0.000	0.000	0.000
679	B	226	TYR	0	-0.017	-0.015	45.932	-0.437	-0.437	0.000	0.000	0.000	0.000
680	B	227	LYS	1	0.926	0.983	49.875	-22.564	-22.564	0.000	0.000	0.000	0.000
681	B	228	SER	0	0.009	-0.012	48.594	-0.390	-0.390	0.000	0.000	0.000	0.000
682	B	229	GLN	0	0.045	0.038	48.830	0.110	0.110	0.000	0.000	0.000	0.000
683	B	230	ALA	0	-0.028	-0.006	51.415	-0.382	-0.382	0.000	0.000	0.000	0.000
684	B	231	GLU	-1	-0.845	-0.913	54.381	21.581	21.581	0.000	0.000	0.000	0.000
685	B	232	THR	0	-0.006	-0.024	52.213	-0.316	-0.316	0.000	0.000	0.000	0.000
686	B	233	GLY	0	-0.013	-0.003	54.551	-0.318	-0.318	0.000	0.000	0.000	0.000
687	B	234	GLU	-1	-0.777	-0.860	50.500	23.567	23.567	0.000	0.000	0.000	0.000
688	B	235	ILE	0	-0.024	-0.011	46.192	0.063	0.063	0.000	0.000	0.000	0.000
689	B	236	LYS	1	0.863	0.957	45.955	-24.433	-24.433	0.000	0.000	0.000	0.000
690	B	237	GLY	0	0.001	-0.006	42.033	0.114	0.114	0.000	0.000	0.000	0.000
691	B	238	HIS	0	-0.018	-0.014	37.869	-0.769	-0.769	0.000	0.000	0.000	0.000
692	B	239	TYR	0	-0.009	-0.018	34.458	-0.109	-0.109	0.000	0.000	0.000	0.000
693	B	240	LEU	0	-0.025	-0.002	35.752	0.184	0.184	0.000	0.000	0.000	0.000
694	B	241	ASN	0	-0.006	-0.020	29.255	1.254	1.254	0.000	0.000	0.000	0.000
695	B	242	ALA	0	-0.012	-0.009	29.870	-0.449	-0.449	0.000	0.000	0.000	0.000
696	B	243	THR	0	-0.009	0.004	24.586	1.166	1.166	0.000	0.000	0.000	0.000
697	B	244	ALA	0	0.003	-0.005	25.310	-1.304	-1.304	0.000	0.000	0.000	0.000
698	B	245	GLY	0	0.039	0.020	23.000	1.658	1.658	0.000	0.000	0.000	0.000
699	B	246	THR	0	0.030	0.021	22.070	1.563	1.563	0.000	0.000	0.000	0.000
700	B	248	GLU	-1	-0.820	-0.888	24.872	43.704	43.704	0.000	0.000	0.000	0.000
701	B	249	GLU	-1	-0.899	-0.958	27.417	35.202	35.202	0.000	0.000	0.000	0.000
702	B	250	MET	0	-0.016	0.016	25.672	-0.927	-0.927	0.000	0.000	0.000	0.000
703	B	251	ILE	0	0.013	0.000	28.323	-1.419	-1.419	0.000	0.000	0.000	0.000
704	B	252	LYS	1	0.900	0.949	30.644	-36.155	-36.155	0.000	0.000	0.000	0.000
705	B	253	ARG	1	0.739	0.855	29.829	-38.953	-38.953	0.000	0.000	0.000	0.000
706	B	254	ALA	0	0.057	0.028	32.372	-1.034	-1.034	0.000	0.000	0.000	0.000
707	B	255	VAL	0	0.003	0.006	34.207	-1.040	-1.040	0.000	0.000	0.000	0.000
708	B	256	PHE	0	-0.061	-0.017	36.695	-1.022	-1.022	0.000	0.000	0.000	0.000
709	B	257	ALA	0	0.026	0.013	37.024	-0.857	-0.857	0.000	0.000	0.000	0.000
710	B	258	ARG	1	0.929	0.958	38.332	-29.941	-29.941	0.000	0.000	0.000	0.000
711	B	259	GLU	-1	-1.000	-0.996	40.087	26.744	26.744	0.000	0.000	0.000	0.000
712	B	260	LEU	0	-0.052	-0.027	41.116	-0.791	-0.791	0.000	0.000	0.000	0.000
713	B	261	GLY	0	0.031	0.024	43.220	-0.614	-0.614	0.000	0.000	0.000	0.000
714	B	262	VAL	0	-0.053	-0.024	40.015	-0.402	-0.402	0.000	0.000	0.000	0.000
715	B	263	PRO	0	0.023	-0.002	41.330	0.454	0.454	0.000	0.000	0.000	0.000
716	B	264	ILE	0	-0.034	-0.003	36.200	0.371	0.371	0.000	0.000	0.000	0.000
717	B	265	VAL	0	-0.007	0.007	32.696	-0.358	-0.358	0.000	0.000	0.000	0.000
718	B	266	MET	0	-0.025	0.004	30.108	-0.320	-0.320	0.000	0.000	0.000	0.000
719	B	267	HIS	0	-0.028	-0.025	23.092	0.497	0.497	0.000	0.000	0.000	0.000
720	B	268	ASP	-1	-0.782	-0.901	24.182	41.665	41.665	0.000	0.000	0.000	0.000
721	B	269	TYR	0	-0.043	-0.029	21.747	1.519	1.519	0.000	0.000	0.000	0.000
722	B	270	LEU	0	-0.037	-0.008	18.003	2.187	2.187	0.000	0.000	0.000	0.000
723	B	271	THR	0	-0.028	-0.019	18.104	2.338	2.338	0.000	0.000	0.000	0.000
724	B	272	GLY	0	0.027	0.023	19.271	1.030	1.030	0.000	0.000	0.000	0.000
725	B	273	GLY	0	0.002	-0.010	17.994	2.188	2.188	0.000	0.000	0.000	0.000
726	B	274	PHE	0	0.073	0.014	16.676	-3.094	-3.094	0.000	0.000	0.000	0.000
727	B	275	THR	0	-0.007	0.021	17.260	-1.234	-1.234	0.000	0.000	0.000	0.000
728	B	276	ALA	0	0.033	0.000	19.540	-2.273	-2.273	0.000	0.000	0.000	0.000
729	B	277	ASN	0	0.012	-0.004	21.843	-3.118	-3.118	0.000	0.000	0.000	0.000
730	B	278	THR	0	0.004	0.005	21.402	-2.099	-2.099	0.000	0.000	0.000	0.000
731	B	279	SER	0	-0.006	-0.012	23.874	-0.752	-0.752	0.000	0.000	0.000	0.000
732	B	280	LEU	0	-0.004	-0.001	25.687	-1.853	-1.853	0.000	0.000	0.000	0.000
733	B	281	SER	0	0.036	0.015	27.246	-2.386	-2.386	0.000	0.000	0.000	0.000
734	B	282	HIS	0	-0.008	-0.011	26.461	-0.312	-0.312	0.000	0.000	0.000	0.000
735	B	283	TYR	0	0.071	0.040	29.892	-1.572	-1.572	0.000	0.000	0.000	0.000
736	B	284	CYS	0	-0.058	-0.034	31.761	-1.386	-1.386	0.000	0.000	0.000	0.000
737	B	285	ARG	1	0.847	0.915	32.913	-35.956	-35.956	0.000	0.000	0.000	0.000
738	B	286	ASP	-1	-0.940	-0.959	33.060	34.209	34.209	0.000	0.000	0.000	0.000
739	B	287	ASN	0	-0.135	-0.077	35.367	-1.852	-1.852	0.000	0.000	0.000	0.000
740	B	288	GLY	0	-0.024	0.007	37.889	-0.728	-0.728	0.000	0.000	0.000	0.000
741	B	289	LEU	0	-0.064	-0.031	35.867	-0.572	-0.572	0.000	0.000	0.000	0.000
742	B	290	LEU	0	-0.018	-0.009	35.834	0.666	0.666	0.000	0.000	0.000	0.000
743	B	291	LEU	0	0.014	-0.002	28.700	0.019	0.019	0.000	0.000	0.000	0.000
744	B	292	HIS	0	0.018	0.007	31.731	-0.046	-0.046	0.000	0.000	0.000	0.000
745	B	293	ILE	0	-0.009	0.000	26.046	0.663	0.663	0.000	0.000	0.000	0.000
746	B	294	HIS	0	0.088	0.023	27.216	0.544	0.544	0.000	0.000	0.000	0.000
747	B	295	ARG	1	0.778	0.867	24.286	-39.572	-39.572	0.000	0.000	0.000	0.000
748	B	296	ALA	0	0.033	0.013	23.481	1.333	1.333	0.000	0.000	0.000	0.000
749	B	297	MET	0	0.007	-0.003	14.945	1.446	1.446	0.000	0.000	0.000	0.000
750	B	298	HIS	1	0.836	0.889	19.550	-43.788	-43.788	0.000	0.000	0.000	0.000
751	B	299	ALA	0	0.015	0.025	20.296	1.459	1.459	0.000	0.000	0.000	0.000
752	B	300	VAL	0	-0.032	-0.001	16.146	0.312	0.312	0.000	0.000	0.000	0.000
753	B	301	ILE	0	-0.016	-0.018	15.064	2.631	2.631	0.000	0.000	0.000	0.000
754	B	302	ASP	-1	-0.792	-0.882	17.459	49.764	49.764	0.000	0.000	0.000	0.000
755	B	303	ARG	1	0.821	0.926	20.696	-43.904	-43.904	0.000	0.000	0.000	0.000
756	B	304	GLN	0	-0.031	-0.031	20.167	-2.409	-2.409	0.000	0.000	0.000	0.000
757	B	305	LYS	1	0.990	1.002	21.375	-42.684	-42.684	0.000	0.000	0.000	0.000
758	B	306	ASN	0	-0.030	-0.029	19.190	-0.021	-0.021	0.000	0.000	0.000	0.000
759	B	307	HIS	0	-0.009	-0.027	12.038	-0.319	-0.319	0.000	0.000	0.000	0.000
760	B	308	GLY	0	0.036	0.041	15.316	-1.903	-1.903	0.000	0.000	0.000	0.000
761	B	309	MET	0	-0.043	-0.033	15.198	2.951	2.951	0.000	0.000	0.000	0.000
762	B	310	HIS	0	0.053	0.042	18.034	-1.139	-1.139	0.000	0.000	0.000	0.000
763	B	311	PHE	0	0.077	0.029	21.538	0.821	0.821	0.000	0.000	0.000	0.000
764	B	312	ARG	1	0.902	0.937	23.478	-45.894	-45.894	0.000	0.000	0.000	0.000
765	B	313	VAL	0	-0.030	-0.003	18.138	-0.432	-0.432	0.000	0.000	0.000	0.000
766	B	314	LEU	0	-0.021	-0.014	17.894	0.564	0.564	0.000	0.000	0.000	0.000
767	B	315	ALA	0	-0.001	0.011	21.391	-0.624	-0.624	0.000	0.000	0.000	0.000
768	B	316	LYS	1	0.854	0.925	23.134	-46.806	-46.806	0.000	0.000	0.000	0.000
769	B	317	ALA	0	0.004	0.010	19.837	-0.487	-0.487	0.000	0.000	0.000	0.000
770	B	318	LEU	0	0.007	0.007	21.743	-0.056	-0.056	0.000	0.000	0.000	0.000
771	B	319	ARG	1	0.786	0.900	24.320	-38.299	-38.299	0.000	0.000	0.000	0.000
772	B	320	LEU	0	-0.025	-0.011	21.948	-0.940	-0.940	0.000	0.000	0.000	0.000
773	B	321	SER	0	-0.042	-0.022	21.971	-0.844	-0.844	0.000	0.000	0.000	0.000
774	B	322	GLY	0	-0.012	-0.013	23.981	-0.911	-0.911	0.000	0.000	0.000	0.000
775	B	323	GLY	0	0.048	-0.008	27.448	0.648	0.648	0.000	0.000	0.000	0.000
776	B	324	ASP	-1	-0.753	-0.868	29.821	34.034	34.034	0.000	0.000	0.000	0.000
777	B	325	HIS	1	0.732	0.847	32.529	-33.609	-33.609	0.000	0.000	0.000	0.000
778	B	326	ILE	0	0.034	0.013	25.752	1.018	1.018	0.000	0.000	0.000	0.000
779	B	327	HIS	0	0.156	0.161	29.034	-1.273	-1.273	0.000	0.000	0.000	0.000
780	B	328	ALA	0	-0.012	-0.022	29.033	1.352	1.352	0.000	0.000	0.000	0.000
781	B	329	GLY	0	0.032	0.020	30.974	0.154	0.154	0.000	0.000	0.000	0.000
782	B	330	THR	0	0.037	0.018	32.120	-0.819	-0.819	0.000	0.000	0.000	0.000
783	B	331	VAL	0	0.011	0.038	34.356	-0.987	-0.987	0.000	0.000	0.000	0.000
784	B	332	VAL	0	-0.014	-0.015	35.785	0.095	0.095	0.000	0.000	0.000	0.000
785	B	333	GLY	0	0.007	0.015	36.734	-0.693	-0.693	0.000	0.000	0.000	0.000
786	B	334	LYS	1	0.773	0.872	33.045	-33.463	-33.463	0.000	0.000	0.000	0.000
787	B	335	LEU	0	-0.023	-0.007	28.903	0.567	0.567	0.000	0.000	0.000	0.000
788	B	336	GLU	-1	-0.814	-0.905	28.909	39.236	39.236	0.000	0.000	0.000	0.000
789	B	337	GLY	0	0.009	-0.012	29.933	0.891	0.891	0.000	0.000	0.000	0.000
790	B	338	ASP	-1	-0.850	-0.927	30.859	35.083	35.083	0.000	0.000	0.000	0.000
791	B	339	ARG	1	0.943	0.975	32.704	-29.359	-29.359	0.000	0.000	0.000	0.000
792	B	340	GLU	-1	-0.874	-0.946	35.077	32.068	32.068	0.000	0.000	0.000	0.000
793	B	341	SER	0	-0.006	-0.009	28.984	0.653	0.653	0.000	0.000	0.000	0.000
794	B	342	THR	0	-0.039	-0.035	31.242	0.825	0.825	0.000	0.000	0.000	0.000
795	B	343	LEU	0	-0.012	-0.007	32.593	0.070	0.070	0.000	0.000	0.000	0.000
796	B	344	GLY	0	0.022	0.030	32.110	-0.282	-0.282	0.000	0.000	0.000	0.000
797	B	345	PHE	0	-0.012	-0.021	28.266	0.395	0.395	0.000	0.000	0.000	0.000
798	B	346	VAL	0	0.000	-0.005	30.284	0.299	0.299	0.000	0.000	0.000	0.000
799	B	347	ASP	-1	-0.767	-0.864	33.260	32.788	32.788	0.000	0.000	0.000	0.000
800	B	348	LEU	0	-0.090	-0.036	27.591	0.390	0.390	0.000	0.000	0.000	0.000
801	B	349	LEU	0	-0.046	-0.016	28.076	0.752	0.752	0.000	0.000	0.000	0.000
802	B	350	ARG	1	0.835	0.910	31.192	-31.860	-31.860	0.000	0.000	0.000	0.000
803	B	351	ASP	-1	-0.872	-0.928	34.530	31.770	31.770	0.000	0.000	0.000	0.000
804	B	352	ASP	-1	-0.888	-0.954	33.960	34.520	34.520	0.000	0.000	0.000	0.000
805	B	353	TYR	0	-0.008	-0.011	34.168	1.124	1.124	0.000	0.000	0.000	0.000
806	B	354	VAL	0	0.000	0.014	32.028	-0.637	-0.637	0.000	0.000	0.000	0.000
807	B	355	GLU	-1	-0.908	-0.959	32.702	33.405	33.405	0.000	0.000	0.000	0.000
808	B	356	LYS	1	0.916	0.952	30.559	-38.411	-38.411	0.000	0.000	0.000	0.000
809	B	357	ASP	-1	-0.752	-0.839	32.088	32.865	32.865	0.000	0.000	0.000	0.000
810	B	358	ARG	1	0.874	0.932	28.524	-41.519	-41.519	0.000	0.000	0.000	0.000
811	B	359	SER	0	-0.095	-0.072	32.252	0.452	0.452	0.000	0.000	0.000	0.000
812	B	360	ARG	1	0.919	0.942	33.321	-33.679	-33.679	0.000	0.000	0.000	0.000
813	B	361	GLY	0	-0.053	-0.031	29.303	0.808	0.808	0.000	0.000	0.000	0.000
814	B	362	ILE	0	-0.042	0.002	27.874	1.929	1.929	0.000	0.000	0.000	0.000
815	B	363	PHE	0	-0.030	-0.037	25.565	-0.818	-0.818	0.000	0.000	0.000	0.000
816	B	364	PHE	0	-0.057	-0.035	22.781	-0.203	-0.203	0.000	0.000	0.000	0.000
817	B	365	THR	0	0.038	0.023	28.166	-0.257	-0.257	0.000	0.000	0.000	0.000
818	B	366	GLN	0	-0.068	-0.037	26.399	2.876	2.876	0.000	0.000	0.000	0.000
819	B	367	ASP	-1	-0.840	-0.922	29.910	34.504	34.504	0.000	0.000	0.000	0.000
820	B	368	TRP	0	-0.009	-0.012	26.194	2.235	2.235	0.000	0.000	0.000	0.000
821	B	369	VAL	0	-0.039	-0.015	31.070	0.347	0.347	0.000	0.000	0.000	0.000
822	B	370	SER	0	-0.054	-0.035	33.761	-0.322	-0.322	0.000	0.000	0.000	0.000
823	B	371	LEU	0	-0.050	-0.011	28.258	-0.314	-0.314	0.000	0.000	0.000	0.000
824	B	372	PRO	0	0.015	0.014	32.407	-0.478	-0.478	0.000	0.000	0.000	0.000
825	B	373	GLY	0	0.048	0.039	32.679	1.112	1.112	0.000	0.000	0.000	0.000
826	B	374	VAL	0	-0.028	-0.028	29.805	-0.474	-0.474	0.000	0.000	0.000	0.000
827	B	375	LEU	0	0.007	-0.001	33.179	-0.252	-0.252	0.000	0.000	0.000	0.000
828	B	376	PRO	0	-0.033	0.002	33.138	0.795	0.795	0.000	0.000	0.000	0.000
829	B	377	VAL	0	0.010	-0.006	33.064	-1.113	-1.113	0.000	0.000	0.000	0.000
830	B	378	ALA	0	0.024	0.032	33.433	1.044	1.044	0.000	0.000	0.000	0.000
831	B	379	SER	0	0.000	-0.025	33.598	-1.258	-1.258	0.000	0.000	0.000	0.000
832	B	380	GLY	0	0.086	0.037	33.812	0.861	0.861	0.000	0.000	0.000	0.000
833	B	381	GLY	0	-0.025	-0.014	35.116	0.078	0.078	0.000	0.000	0.000	0.000
834	B	382	ILE	0	-0.063	-0.010	37.948	-0.405	-0.405	0.000	0.000	0.000	0.000
835	B	383	HIS	0	0.026	-0.021	40.540	-0.474	-0.474	0.000	0.000	0.000	0.000
836	B	384	VAL	0	0.065	0.029	44.225	0.073	0.073	0.000	0.000	0.000	0.000
837	B	385	TRP	0	-0.061	-0.025	47.207	-0.361	-0.361	0.000	0.000	0.000	0.000
838	B	386	HIS	0	0.027	0.017	42.137	-0.099	-0.099	0.000	0.000	0.000	0.000
839	B	387	MET	0	-0.034	0.014	44.265	0.596	0.596	0.000	0.000	0.000	0.000
840	B	388	PRO	0	0.042	0.021	45.742	0.282	0.282	0.000	0.000	0.000	0.000
841	B	389	ALA	0	0.047	0.031	43.112	0.145	0.145	0.000	0.000	0.000	0.000
842	B	390	LEU	0	-0.006	0.000	39.292	0.550	0.550	0.000	0.000	0.000	0.000
843	B	391	THR	0	-0.027	-0.038	42.011	0.388	0.388	0.000	0.000	0.000	0.000
844	B	392	GLU	-1	-0.935	-0.963	44.198	27.710	27.710	0.000	0.000	0.000	0.000
845	B	393	ILE	0	-0.055	-0.019	38.029	0.325	0.325	0.000	0.000	0.000	0.000
846	B	394	PHE	0	-0.030	-0.016	35.115	0.551	0.551	0.000	0.000	0.000	0.000
847	B	395	GLY	0	0.050	0.037	40.224	0.190	0.190	0.000	0.000	0.000	0.000
848	B	396	ASP	-1	-0.798	-0.927	42.732	26.178	26.178	0.000	0.000	0.000	0.000
849	B	397	ASP	-1	-0.854	-0.912	39.680	28.872	28.872	0.000	0.000	0.000	0.000
850	B	398	SER	0	0.005	-0.006	38.171	0.883	0.883	0.000	0.000	0.000	0.000
851	B	399	VAL	0	-0.006	0.006	37.269	-0.732	-0.732	0.000	0.000	0.000	0.000
852	B	400	LEU	0	0.024	0.017	37.817	0.791	0.791	0.000	0.000	0.000	0.000
853	B	401	GLN	0	-0.001	-0.015	34.549	-0.735	-0.735	0.000	0.000	0.000	0.000
854	B	402	PHE	0	0.039	0.010	38.931	0.284	0.284	0.000	0.000	0.000	0.000
855	B	403	GLY	0	0.063	0.038	38.920	-0.562	-0.562	0.000	0.000	0.000	0.000
856	B	404	GLY	0	0.021	-0.011	39.433	-0.843	-0.843	0.000	0.000	0.000	0.000
857	B	405	GLY	0	-0.018	-0.011	41.349	-0.683	-0.683	0.000	0.000	0.000	0.000
858	B	406	THR	0	-0.056	-0.041	43.396	-0.842	-0.842	0.000	0.000	0.000	0.000
859	B	407	LEU	0	-0.033	-0.030	41.498	-0.676	-0.676	0.000	0.000	0.000	0.000
860	B	408	GLY	0	0.047	0.022	45.048	-0.178	-0.178	0.000	0.000	0.000	0.000
861	B	409	HIS	0	-0.020	0.015	46.002	-0.314	-0.314	0.000	0.000	0.000	0.000
862	B	410	PRO	0	-0.003	-0.013	49.240	-0.041	-0.041	0.000	0.000	0.000	0.000
863	B	411	TRP	0	-0.026	-0.043	52.214	-0.428	-0.428	0.000	0.000	0.000	0.000
864	B	412	GLY	0	0.024	0.024	50.502	-0.277	-0.277	0.000	0.000	0.000	0.000
865	B	413	ASN	0	0.014	0.002	45.802	-0.013	-0.013	0.000	0.000	0.000	0.000
866	B	414	ALA	0	0.061	0.044	48.872	0.123	0.123	0.000	0.000	0.000	0.000
867	B	415	PRO	0	-0.009	-0.029	51.545	-0.021	-0.021	0.000	0.000	0.000	0.000
868	B	416	GLY	0	0.043	0.019	48.772	-0.028	-0.028	0.000	0.000	0.000	0.000
869	B	417	ALA	0	-0.019	0.007	47.825	0.254	0.254	0.000	0.000	0.000	0.000
870	B	418	VAL	0	0.000	0.013	48.804	0.050	0.050	0.000	0.000	0.000	0.000
871	B	419	ALA	0	-0.051	-0.014	50.351	-0.121	-0.121	0.000	0.000	0.000	0.000
872	B	420	ASN	0	0.011	-0.001	45.797	-0.042	-0.042	0.000	0.000	0.000	0.000
873	B	421	ARG	1	0.743	0.838	48.360	-23.763	-23.763	0.000	0.000	0.000	0.000
874	B	422	VAL	0	-0.016	-0.015	49.931	-0.117	-0.117	0.000	0.000	0.000	0.000
875	B	423	ALA	0	-0.026	-0.012	49.308	-0.150	-0.150	0.000	0.000	0.000	0.000
876	B	424	LEU	0	0.023	0.003	45.904	0.025	0.025	0.000	0.000	0.000	0.000
877	B	425	GLU	-1	-0.736	-0.881	49.187	22.884	22.884	0.000	0.000	0.000	0.000
878	B	426	ALA	0	0.017	0.017	52.259	-0.270	-0.270	0.000	0.000	0.000	0.000
879	B	427	CYS	0	-0.060	-0.019	49.551	-0.095	-0.095	0.000	0.000	0.000	0.000
880	B	428	VAL	0	-0.004	0.000	49.367	-0.006	-0.006	0.000	0.000	0.000	0.000
881	B	429	GLN	0	0.036	0.018	51.669	0.109	0.109	0.000	0.000	0.000	0.000
882	B	430	ALA	0	-0.013	-0.002	53.979	-0.260	-0.260	0.000	0.000	0.000	0.000
883	B	431	ARG	1	0.842	0.909	47.465	-25.093	-25.093	0.000	0.000	0.000	0.000
884	B	432	ASN	0	-0.034	-0.025	52.743	0.353	0.353	0.000	0.000	0.000	0.000
885	B	433	GLU	-1	-0.897	-0.950	55.015	20.284	20.284	0.000	0.000	0.000	0.000
886	B	434	GLY	0	-0.085	-0.040	56.298	-0.383	-0.383	0.000	0.000	0.000	0.000
887	B	435	ARG	1	0.796	0.893	55.526	-21.197	-21.197	0.000	0.000	0.000	0.000
888	B	436	ASP	-1	-0.862	-0.923	50.764	24.733	24.733	0.000	0.000	0.000	0.000
889	B	437	LEU	0	-0.011	-0.026	48.297	-0.065	-0.065	0.000	0.000	0.000	0.000
890	B	438	ALA	0	-0.033	-0.007	47.460	0.172	0.172	0.000	0.000	0.000	0.000
891	B	439	VAL	0	-0.065	-0.030	48.740	0.087	0.087	0.000	0.000	0.000	0.000
892	B	440	GLU	-1	-0.832	-0.926	51.952	21.537	21.537	0.000	0.000	0.000	0.000
893	B	441	GLY	0	0.039	0.016	50.548	-0.170	-0.170	0.000	0.000	0.000	0.000
894	B	442	ASN	0	-0.018	-0.037	50.924	0.032	0.032	0.000	0.000	0.000	0.000
895	B	443	GLU	-1	-0.928	-0.967	53.134	21.115	21.115	0.000	0.000	0.000	0.000
896	B	444	ILE	0	0.058	0.046	53.061	-0.286	-0.286	0.000	0.000	0.000	0.000
897	B	445	ILE	0	-0.002	0.001	50.336	-0.210	-0.210	0.000	0.000	0.000	0.000
898	B	446	ARG	1	0.956	0.962	53.994	-22.388	-22.388	0.000	0.000	0.000	0.000
899	B	447	GLU	-1	-0.884	-0.937	57.049	20.405	20.405	0.000	0.000	0.000	0.000
900	B	448	ALA	0	0.058	0.032	55.771	-0.353	-0.353	0.000	0.000	0.000	0.000
901	B	449	CYS	0	-0.092	-0.044	56.215	-0.032	-0.032	0.000	0.000	0.000	0.000
902	B	450	LYS	1	0.797	0.928	58.435	-20.376	-20.376	0.000	0.000	0.000	0.000
903	B	451	TRP	0	0.037	0.023	57.314	-0.353	-0.353	0.000	0.000	0.000	0.000
904	B	452	SER	0	0.023	0.035	56.631	0.144	0.144	0.000	0.000	0.000	0.000
905	B	453	PRO	0	0.003	-0.015	57.998	0.184	0.184	0.000	0.000	0.000	0.000
906	B	454	GLU	-1	-0.840	-0.940	54.392	21.096	21.096	0.000	0.000	0.000	0.000
907	B	455	LEU	0	0.066	0.026	51.961	0.385	0.385	0.000	0.000	0.000	0.000
908	B	456	ALA	0	0.019	0.008	53.870	0.250	0.250	0.000	0.000	0.000	0.000
909	B	457	ALA	0	-0.036	-0.017	54.897	0.114	0.114	0.000	0.000	0.000	0.000
910	B	458	ALA	0	0.002	-0.002	49.749	0.238	0.238	0.000	0.000	0.000	0.000
911	B	459	CYS	0	-0.045	-0.019	50.649	0.403	0.403	0.000	0.000	0.000	0.000
912	B	460	GLU	-1	-0.895	-0.958	52.342	21.635	21.635	0.000	0.000	0.000	0.000
913	B	461	VAL	0	-0.032	-0.003	48.561	0.065	0.065	0.000	0.000	0.000	0.000
914	B	462	TRP	0	-0.024	-0.026	45.380	0.192	0.192	0.000	0.000	0.000	0.000
915	B	463	LYS	1	0.826	0.929	47.899	-21.599	-21.599	0.000	0.000	0.000	0.000
916	B	464	GLU	-1	-0.907	-0.958	48.937	23.587	23.587	0.000	0.000	0.000	0.000
917	B	465	ILE	0	-0.067	-0.015	42.952	0.438	0.438	0.000	0.000	0.000	0.000
918	B	466	THR	0	-0.012	-0.010	42.779	0.162	0.162	0.000	0.000	0.000	0.000
919	B	467	PHE	0	0.012	0.009	37.327	0.247	0.247	0.000	0.000	0.000	0.000
920	B	468	ASN	0	-0.002	-0.003	38.567	0.732	0.732	0.000	0.000	0.000	0.000
921	B	469	PHE	0	0.043	0.012	34.609	-0.232	-0.232	0.000	0.000	0.000	0.000
922	B	470	PRO	0	-0.024	-0.014	33.230	-0.014	-0.014	0.000	0.000	0.000	0.000
923	B	471	THR	0	-0.011	0.000	31.080	0.380	0.380	0.000	0.000	0.000	0.000
924	B	472	ILE	0	-0.018	-0.006	25.949	-0.243	-0.243	0.000	0.000	0.000	0.000
925	B	473	ASP	-1	-0.817	-0.887	25.477	47.098	47.098	0.000	0.000	0.000	0.000
926	B	474	LYS	1	0.891	0.947	27.684	-36.790	-36.790	0.000	0.000	0.000	0.000
927	B	475	LEU	0	-0.043	-0.005	29.226	1.876	1.876	0.000	0.000	0.000	0.000
928	J	1	MET	0	-0.027	-0.017	55.174	-0.036	-0.036	0.000	0.000	0.000	0.000
929	J	2	LYS	1	0.863	0.956	58.700	-20.536	-20.536	0.000	0.000	0.000	0.000
930	J	3	VAL	0	0.031	0.015	58.041	0.376	0.376	0.000	0.000	0.000	0.000
931	J	4	TRP	0	0.068	0.033	55.461	-0.501	-0.501	0.000	0.000	0.000	0.000
932	J	5	PRO	0	0.022	0.000	57.989	0.092	0.092	0.000	0.000	0.000	0.000
933	J	6	PRO	0	0.020	0.021	57.782	0.215	0.215	0.000	0.000	0.000	0.000
934	J	7	ILE	0	0.003	-0.007	58.859	0.040	0.040	0.000	0.000	0.000	0.000
935	J	8	GLY	0	0.003	0.001	61.609	-0.085	-0.085	0.000	0.000	0.000	0.000
936	J	9	LYS	1	0.870	0.945	58.857	-20.399	-20.399	0.000	0.000	0.000	0.000
937	J	10	LYS	1	0.861	0.940	58.118	-20.518	-20.518	0.000	0.000	0.000	0.000
938	J	11	LYS	1	0.825	0.923	55.051	-21.446	-21.446	0.000	0.000	0.000	0.000
939	J	12	PHE	0	0.008	-0.018	56.272	-0.135	-0.135	0.000	0.000	0.000	0.000
940	J	13	GLU	-1	-0.753	-0.851	50.002	24.538	24.538	0.000	0.000	0.000	0.000
941	J	14	THR	0	-0.025	-0.018	50.752	-0.136	-0.136	0.000	0.000	0.000	0.000
942	J	15	LEU	0	0.050	0.024	52.924	-0.297	-0.297	0.000	0.000	0.000	0.000
943	J	16	SER	0	-0.063	-0.017	55.042	-0.440	-0.440	0.000	0.000	0.000	0.000
944	J	17	TYR	0	-0.067	-0.060	53.060	-0.349	-0.349	0.000	0.000	0.000	0.000
945	J	18	LEU	0	0.010	0.010	55.542	-0.025	-0.025	0.000	0.000	0.000	0.000
946	J	19	PRO	0	-0.067	-0.043	58.594	-0.181	-0.181	0.000	0.000	0.000	0.000
947	J	20	ASP	-1	-0.944	-0.963	61.868	19.328	19.328	0.000	0.000	0.000	0.000
948	J	21	LEU	0	-0.004	0.006	59.865	-0.131	-0.131	0.000	0.000	0.000	0.000
949	J	22	THR	0	-0.035	-0.018	63.833	-0.343	-0.343	0.000	0.000	0.000	0.000
950	J	23	ASP	-1	-0.847	-0.938	65.958	18.174	18.174	0.000	0.000	0.000	0.000
951	J	24	VAL	0	-0.070	-0.042	66.284	0.085	0.085	0.000	0.000	0.000	0.000
952	J	25	GLU	-1	-0.846	-0.932	62.467	19.723	19.723	0.000	0.000	0.000	0.000
953	J	26	LEU	0	0.027	0.021	62.094	0.351	0.351	0.000	0.000	0.000	0.000
954	J	27	ALA	0	-0.012	-0.010	62.165	0.257	0.257	0.000	0.000	0.000	0.000
955	J	28	LYS	1	0.960	0.997	61.184	-19.425	-19.425	0.000	0.000	0.000	0.000
956	J	29	GLU	-1	-0.850	-0.933	57.453	21.755	21.755	0.000	0.000	0.000	0.000
957	J	30	VAL	0	-0.057	-0.027	57.926	0.338	0.338	0.000	0.000	0.000	0.000
958	J	31	ASP	-1	-0.764	-0.819	59.389	19.987	19.987	0.000	0.000	0.000	0.000
959	J	32	TYR	0	-0.029	0.006	50.187	0.306	0.306	0.000	0.000	0.000	0.000
960	J	33	LEU	0	-0.037	-0.008	54.724	0.434	0.434	0.000	0.000	0.000	0.000
961	J	34	LEU	0	0.004	0.000	55.135	0.265	0.265	0.000	0.000	0.000	0.000
962	J	35	ARG	1	0.903	0.960	54.868	-22.174	-22.174	0.000	0.000	0.000	0.000
963	J	36	ASN	0	-0.093	-0.051	50.804	0.579	0.579	0.000	0.000	0.000	0.000
964	J	37	LYS	1	0.882	0.944	51.701	-21.922	-21.922	0.000	0.000	0.000	0.000
965	J	38	TRP	0	0.039	0.030	48.574	-0.041	-0.041	0.000	0.000	0.000	0.000
966	J	39	ILE	0	0.003	0.004	53.679	-0.445	-0.445	0.000	0.000	0.000	0.000
967	J	40	PRO	0	0.008	0.007	55.907	0.262	0.262	0.000	0.000	0.000	0.000
968	J	41	CYS	0	-0.006	-0.012	57.857	-0.237	-0.237	0.000	0.000	0.000	0.000
969	J	42	VAL	0	0.021	0.033	59.502	0.151	0.151	0.000	0.000	0.000	0.000
970	J	43	GLU	-1	-0.826	-0.899	56.711	21.957	21.957	0.000	0.000	0.000	0.000
971	J	44	PHE	0	-0.011	-0.021	61.176	-0.127	-0.127	0.000	0.000	0.000	0.000
972	J	45	GLU	-1	-0.774	-0.881	61.465	20.214	20.214	0.000	0.000	0.000	0.000
973	J	46	LEU	0	-0.013	-0.015	63.773	-0.195	-0.195	0.000	0.000	0.000	0.000
974	J	47	GLU	-1	-0.979	-0.978	64.712	18.662	18.662	0.000	0.000	0.000	0.000
975	J	48	HIS	1	0.822	0.896	59.989	-20.094	-20.094	0.000	0.000	0.000	0.000
976	J	49	GLY	0	0.039	0.028	60.324	0.224	0.224	0.000	0.000	0.000	0.000
977	J	50	PHE	0	-0.035	-0.021	56.949	0.154	0.154	0.000	0.000	0.000	0.000
978	J	51	VAL	0	0.029	0.019	51.542	-0.109	-0.109	0.000	0.000	0.000	0.000
979	J	52	TYR	0	-0.068	-0.033	54.922	-0.146	-0.146	0.000	0.000	0.000	0.000
980	J	53	ARG	1	0.810	0.906	46.208	-25.038	-25.038	0.000	0.000	0.000	0.000
981	J	54	GLU	-1	-0.938	-0.966	54.261	20.208	20.208	0.000	0.000	0.000	0.000
982	J	55	HIS	1	0.829	0.908	55.167	-21.435	-21.435	0.000	0.000	0.000	0.000
983	J	56	GLY	0	0.043	0.022	51.484	0.180	0.180	0.000	0.000	0.000	0.000
984	J	57	ASN	0	-0.057	-0.031	49.291	0.136	0.136	0.000	0.000	0.000	0.000
985	J	58	THR	0	0.049	0.030	44.568	0.152	0.152	0.000	0.000	0.000	0.000
986	J	59	PRO	0	0.035	0.018	40.850	-0.494	-0.494	0.000	0.000	0.000	0.000
987	J	60	GLY	0	0.036	0.027	43.214	0.130	0.130	0.000	0.000	0.000	0.000
988	J	61	TYR	0	-0.127	-0.055	44.305	-0.176	-0.176	0.000	0.000	0.000	0.000
989	J	62	TYR	0	0.041	-0.007	45.887	0.057	0.057	0.000	0.000	0.000	0.000
990	J	63	ASP	-1	-0.743	-0.850	50.814	22.572	22.572	0.000	0.000	0.000	0.000
991	J	64	GLY	0	0.066	0.008	54.426	0.056	0.056	0.000	0.000	0.000	0.000
992	J	65	ARG	1	0.835	0.927	47.126	-25.120	-25.120	0.000	0.000	0.000	0.000
993	J	66	TYR	0	-0.004	0.002	51.109	0.047	0.047	0.000	0.000	0.000	0.000
994	J	67	TRP	0	-0.006	0.006	55.812	-0.290	-0.290	0.000	0.000	0.000	0.000
995	J	68	THR	0	-0.008	-0.004	59.154	0.126	0.126	0.000	0.000	0.000	0.000
996	J	69	MET	0	0.006	0.011	57.896	-0.049	-0.049	0.000	0.000	0.000	0.000
997	J	70	TRP	0	-0.025	-0.025	61.622	-0.306	-0.306	0.000	0.000	0.000	0.000
998	J	71	LYS	1	0.768	0.879	64.056	-17.816	-17.816	0.000	0.000	0.000	0.000
999	J	72	LEU	0	0.005	-0.014	61.205	0.210	0.210	0.000	0.000	0.000	0.000
1000	J	73	PRO	0	0.015	-0.004	57.510	-0.171	-0.171	0.000	0.000	0.000	0.000
1001	J	74	LEU	0	0.011	0.016	60.071	-0.174	-0.174	0.000	0.000	0.000	0.000
1002	J	75	PHE	0	0.019	-0.013	56.167	0.225	0.225	0.000	0.000	0.000	0.000
1003	J	76	GLY	0	-0.025	-0.008	59.721	-0.319	-0.319	0.000	0.000	0.000	0.000
1004	J	77	CYS	0	-0.038	-0.001	61.532	-0.312	-0.312	0.000	0.000	0.000	0.000
1005	J	78	THR	0	-0.059	-0.030	60.233	0.233	0.233	0.000	0.000	0.000	0.000
1006	J	79	ASP	-1	-0.891	-0.956	62.877	18.289	18.289	0.000	0.000	0.000	0.000
1007	J	80	SER	0	-0.031	-0.119	63.709	0.072	0.072	0.000	0.000	0.000	0.000
1008	J	81	ALA	0	-0.008	0.004	64.937	-0.088	-0.088	0.000	0.000	0.000	0.000
1009	J	82	GLN	0	-0.017	-0.020	66.452	-0.110	-0.110	0.000	0.000	0.000	0.000
1010	J	83	VAL	0	0.052	0.027	62.126	-0.090	-0.090	0.000	0.000	0.000	0.000
1011	J	84	LEU	0	0.013	0.000	64.651	-0.065	-0.065	0.000	0.000	0.000	0.000
1012	J	85	LYS	1	0.928	0.969	67.452	-17.673	-17.673	0.000	0.000	0.000	0.000
1013	J	86	GLU	-1	-0.780	-0.868	66.345	18.018	18.018	0.000	0.000	0.000	0.000
1014	J	87	VAL	0	-0.004	0.003	65.096	-0.038	-0.038	0.000	0.000	0.000	0.000
1015	J	88	GLU	-1	-0.927	-0.962	67.714	17.329	17.329	0.000	0.000	0.000	0.000
1016	J	89	GLU	-1	-0.917	-0.963	70.985	17.166	17.166	0.000	0.000	0.000	0.000
1017	J	90	CYS	0	-0.031	-0.003	67.594	-0.095	-0.095	0.000	0.000	0.000	0.000
1018	J	91	LYS	1	0.926	0.960	69.747	-17.878	-17.878	0.000	0.000	0.000	0.000
1019	J	92	LYS	1	0.910	0.950	71.188	-16.335	-16.335	0.000	0.000	0.000	0.000
1020	J	93	GLU	-1	-0.981	-0.978	72.471	16.347	16.347	0.000	0.000	0.000	0.000
1021	J	94	TYR	0	-0.058	-0.028	70.058	-0.084	-0.084	0.000	0.000	0.000	0.000
1022	J	95	PRO	0	0.047	0.031	70.859	0.240	0.240	0.000	0.000	0.000	0.000
1023	J	96	GLY	0	-0.032	-0.006	71.363	0.073	0.073	0.000	0.000	0.000	0.000
1024	J	97	ALA	0	-0.003	0.003	66.875	0.168	0.168	0.000	0.000	0.000	0.000
1025	J	98	PHE	0	-0.032	-0.019	62.757	-0.063	-0.063	0.000	0.000	0.000	0.000
1026	J	99	ILE	0	0.027	0.008	63.586	0.047	0.047	0.000	0.000	0.000	0.000
1027	J	100	ARG	1	0.814	0.911	55.684	-21.869	-21.869	0.000	0.000	0.000	0.000
1028	J	101	ILE	0	0.008	0.012	58.737	-0.191	-0.191	0.000	0.000	0.000	0.000
1029	J	102	ILE	0	-0.001	0.005	54.440	0.323	0.323	0.000	0.000	0.000	0.000
1030	J	103	GLY	0	0.055	0.009	53.972	-0.392	-0.392	0.000	0.000	0.000	0.000
1031	J	104	PHE	0	-0.049	-0.015	51.138	0.546	0.546	0.000	0.000	0.000	0.000
1032	J	105	ASP	-1	-0.769	-0.882	47.023	25.887	25.887	0.000	0.000	0.000	0.000
1033	J	106	ASN	0	-0.021	-0.030	48.270	0.173	0.173	0.000	0.000	0.000	0.000
1034	J	107	THR	0	-0.022	-0.003	44.348	0.154	0.154	0.000	0.000	0.000	0.000
1035	J	108	ARG	1	0.864	0.917	41.898	-27.682	-27.682	0.000	0.000	0.000	0.000
1036	J	109	GLN	0	-0.062	-0.026	43.965	-0.151	-0.151	0.000	0.000	0.000	0.000
1037	J	110	VAL	0	0.019	0.004	43.272	0.351	0.351	0.000	0.000	0.000	0.000
1038	J	111	GLN	0	0.019	0.008	46.542	-0.466	-0.466	0.000	0.000	0.000	0.000
1039	J	112	CYS	0	-0.049	-0.019	47.751	0.614	0.614	0.000	0.000	0.000	0.000
1040	J	113	ILE	0	0.023	0.008	49.197	0.068	0.068	0.000	0.000	0.000	0.000
1041	J	114	SER	0	0.000	-0.014	52.222	-0.275	-0.275	0.000	0.000	0.000	0.000
1042	J	115	PHE	0	0.038	0.034	54.427	0.208	0.208	0.000	0.000	0.000	0.000
1043	J	116	ILE	0	-0.033	-0.018	57.195	-0.249	-0.249	0.000	0.000	0.000	0.000
1044	J	117	ALA	0	0.017	-0.003	60.292	-0.023	-0.023	0.000	0.000	0.000	0.000
1045	J	118	TYR	0	-0.045	-0.055	63.621	-0.404	-0.404	0.000	0.000	0.000	0.000
1046	J	119	LYS	1	0.916	0.966	61.626	-19.567	-19.567	0.000	0.000	0.000	0.000
1047	J	120	PRO	0	0.024	0.043	66.339	-0.244	-0.244	0.000	0.000	0.000	0.000
1048	J	121	PRO	0	0.048	0.002	69.358	0.039	0.039	0.000	0.000	0.000	0.000
1049	J	122	SER	0	-0.072	-0.024	70.043	-0.012	-0.012	0.000	0.000	0.000	0.000
1050	J	123	PHE	0	-0.025	-0.008	62.389	0.193	0.193	0.000	0.000	0.000	0.000
1051	I	1	MET	0	-0.036	-0.023	18.232	-0.312	-0.312	0.000	0.000	0.000	0.000
1052	I	2	LYS	1	0.902	0.972	21.220	-47.701	-47.701	0.000	0.000	0.000	0.000
1053	I	3	VAL	0	0.031	0.015	20.786	2.332	2.332	0.000	0.000	0.000	0.000
1054	I	4	TRP	0	0.059	0.034	19.612	-2.126	-2.126	0.000	0.000	0.000	0.000
1055	I	5	PRO	0	0.017	0.004	21.704	-0.038	-0.038	0.000	0.000	0.000	0.000
1056	I	6	PRO	0	0.036	0.027	23.687	1.005	1.005	0.000	0.000	0.000	0.000
1057	I	7	ILE	0	-0.010	-0.007	24.826	-0.668	-0.668	0.000	0.000	0.000	0.000
1058	I	8	GLY	0	-0.005	-0.008	27.670	0.301	0.301	0.000	0.000	0.000	0.000
1059	I	9	LYS	1	0.900	0.952	23.535	-44.648	-44.648	0.000	0.000	0.000	0.000
1060	I	10	LYS	1	0.910	0.975	24.328	-40.751	-40.751	0.000	0.000	0.000	0.000
1061	I	11	LYS	1	0.814	0.912	21.525	-49.963	-49.963	0.000	0.000	0.000	0.000
1062	I	12	PHE	0	-0.014	-0.029	24.295	-1.273	-1.273	0.000	0.000	0.000	0.000
1063	I	13	GLU	-1	-0.769	-0.867	20.476	57.188	57.188	0.000	0.000	0.000	0.000
1064	I	14	THR	0	-0.027	-0.029	21.125	1.211	1.211	0.000	0.000	0.000	0.000
1065	I	15	LEU	0	0.047	0.030	21.689	-2.075	-2.075	0.000	0.000	0.000	0.000
1066	I	16	SER	0	-0.062	-0.009	22.782	-1.203	-1.203	0.000	0.000	0.000	0.000
1067	I	17	TYR	0	-0.050	-0.054	18.927	-0.471	-0.471	0.000	0.000	0.000	0.000
1068	I	18	LEU	0	-0.013	0.005	21.491	0.746	0.746	0.000	0.000	0.000	0.000
1069	I	19	PRO	0	-0.068	-0.040	23.954	-1.057	-1.057	0.000	0.000	0.000	0.000
1070	I	20	ASP	-1	-0.931	-0.962	27.494	39.393	39.393	0.000	0.000	0.000	0.000
1071	I	21	LEU	0	0.014	0.017	27.308	-0.409	-0.409	0.000	0.000	0.000	0.000
1072	I	22	THR	0	-0.002	0.001	30.923	-1.605	-1.605	0.000	0.000	0.000	0.000
1073	I	23	ASP	-1	-0.830	-0.923	34.161	32.727	32.727	0.000	0.000	0.000	0.000
1074	I	24	VAL	0	-0.049	-0.027	35.312	0.023	0.023	0.000	0.000	0.000	0.000
1075	I	25	GLU	-1	-0.881	-0.954	30.838	39.767	39.767	0.000	0.000	0.000	0.000
1076	I	26	LEU	0	-0.011	-0.005	31.612	0.938	0.938	0.000	0.000	0.000	0.000
1077	I	27	ALA	0	-0.018	-0.017	33.324	0.245	0.245	0.000	0.000	0.000	0.000
1078	I	28	LYS	1	0.944	0.979	32.124	-37.166	-37.166	0.000	0.000	0.000	0.000
1079	I	29	GLU	-1	-0.817	-0.904	27.426	46.151	46.151	0.000	0.000	0.000	0.000
1080	I	30	VAL	0	-0.044	-0.020	30.865	0.319	0.319	0.000	0.000	0.000	0.000
1081	I	31	ASP	-1	-0.839	-0.916	33.836	34.475	34.475	0.000	0.000	0.000	0.000
1082	I	32	TYR	0	-0.061	-0.012	24.038	-0.233	-0.233	0.000	0.000	0.000	0.000
1083	I	33	LEU	0	-0.035	-0.012	29.993	0.527	0.527	0.000	0.000	0.000	0.000
1084	I	34	LEU	0	0.007	-0.004	30.988	-0.218	-0.218	0.000	0.000	0.000	0.000
1085	I	35	ARG	1	0.879	0.939	30.000	-40.255	-40.255	0.000	0.000	0.000	0.000
1086	I	36	ASN	0	-0.077	-0.025	27.172	0.365	0.365	0.000	0.000	0.000	0.000
1087	I	37	LYS	1	0.869	0.940	30.100	-34.674	-34.674	0.000	0.000	0.000	0.000
1088	I	38	TRP	0	0.048	0.033	25.152	-0.006	-0.006	0.000	0.000	0.000	0.000
1089	I	39	ILE	0	-0.025	-0.022	31.749	-1.148	-1.148	0.000	0.000	0.000	0.000
1090	I	40	PRO	0	0.021	0.022	33.446	0.950	0.950	0.000	0.000	0.000	0.000
1091	I	41	CYS	0	-0.012	-0.013	34.687	-1.405	-1.405	0.000	0.000	0.000	0.000
1092	I	42	VAL	0	0.022	0.031	35.125	1.028	1.028	0.000	0.000	0.000	0.000
1093	I	43	GLU	-1	-0.854	-0.930	32.745	37.561	37.561	0.000	0.000	0.000	0.000
1094	I	44	PHE	0	-0.014	-0.020	35.899	0.344	0.344	0.000	0.000	0.000	0.000
1095	I	45	GLU	-1	-0.781	-0.892	34.635	33.763	33.763	0.000	0.000	0.000	0.000
1096	I	46	LEU	0	-0.025	-0.014	37.146	-0.063	-0.063	0.000	0.000	0.000	0.000
1097	I	47	GLU	-1	-0.984	-0.975	38.313	29.203	29.203	0.000	0.000	0.000	0.000
1098	I	48	HIS	1	0.827	0.899	33.588	-33.527	-33.527	0.000	0.000	0.000	0.000
1099	I	49	GLY	0	0.048	0.032	32.748	0.449	0.449	0.000	0.000	0.000	0.000
1100	I	50	PHE	0	-0.035	-0.022	27.412	0.881	0.881	0.000	0.000	0.000	0.000
1101	I	51	VAL	0	0.026	0.017	25.376	-1.032	-1.032	0.000	0.000	0.000	0.000
1102	I	52	TYR	0	-0.064	-0.028	28.137	0.101	0.101	0.000	0.000	0.000	0.000
1103	I	53	ARG	1	0.807	0.899	23.945	-45.418	-45.418	0.000	0.000	0.000	0.000
1104	I	54	GLU	-1	-0.952	-0.975	30.173	32.029	32.029	0.000	0.000	0.000	0.000
1105	I	55	HIS	1	0.838	0.911	33.577	-33.814	-33.814	0.000	0.000	0.000	0.000
1106	I	56	GLY	0	0.040	0.020	31.553	-0.547	-0.547	0.000	0.000	0.000	0.000
1107	I	57	ASN	0	-0.044	-0.027	27.938	0.538	0.538	0.000	0.000	0.000	0.000
1108	I	58	THR	0	0.040	0.027	26.482	0.525	0.525	0.000	0.000	0.000	0.000
1109	I	59	PRO	0	0.025	0.015	21.239	-0.126	-0.126	0.000	0.000	0.000	0.000
1110	I	60	GLY	0	0.033	0.028	22.271	-0.618	-0.618	0.000	0.000	0.000	0.000
1111	I	61	TYR	0	-0.113	-0.042	23.086	-0.832	-0.832	0.000	0.000	0.000	0.000
1112	I	62	TYR	0	0.035	-0.009	21.224	0.904	0.904	0.000	0.000	0.000	0.000
1113	I	63	ASP	-1	-0.738	-0.861	27.707	36.195	36.195	0.000	0.000	0.000	0.000
1114	I	64	GLY	0	0.055	-0.001	29.552	1.094	1.094	0.000	0.000	0.000	0.000
1115	I	65	ARG	1	0.840	0.936	25.177	-44.479	-44.479	0.000	0.000	0.000	0.000
1116	I	66	TYR	0	-0.005	0.003	29.636	0.299	0.299	0.000	0.000	0.000	0.000
1117	I	67	TRP	0	-0.004	0.006	31.231	-0.164	-0.164	0.000	0.000	0.000	0.000
1118	I	68	THR	0	-0.005	0.001	35.152	-0.479	-0.479	0.000	0.000	0.000	0.000
1119	I	69	MET	0	0.019	0.013	37.135	0.216	0.216	0.000	0.000	0.000	0.000
1120	I	70	TRP	0	-0.019	-0.021	39.256	-0.774	-0.774	0.000	0.000	0.000	0.000
1121	I	71	LYS	1	0.729	0.838	41.397	-27.240	-27.240	0.000	0.000	0.000	0.000
1122	I	72	LEU	0	0.019	-0.002	41.085	0.156	0.156	0.000	0.000	0.000	0.000
1123	I	73	PRO	0	0.011	0.001	36.865	0.061	0.061	0.000	0.000	0.000	0.000
1124	I	74	LEU	0	0.003	0.014	38.571	-0.879	-0.879	0.000	0.000	0.000	0.000
1125	I	75	PHE	0	0.018	-0.012	37.344	0.638	0.638	0.000	0.000	0.000	0.000
1126	I	76	GLY	0	-0.021	-0.009	39.370	-0.717	-0.717	0.000	0.000	0.000	0.000
1127	I	77	CYS	0	-0.055	0.004	39.199	-0.412	-0.412	0.000	0.000	0.000	0.000
1128	I	78	THR	0	-0.023	-0.026	39.402	0.401	0.401	0.000	0.000	0.000	0.000
1129	I	79	ASP	-1	-0.876	-0.943	40.882	29.262	29.262	0.000	0.000	0.000	0.000
1130	I	80	SER	0	0.041	-0.002	37.456	-0.332	-0.332	0.000	0.000	0.000	0.000
1131	I	81	ALA	0	-0.004	-0.003	39.228	0.121	0.121	0.000	0.000	0.000	0.000
1132	I	82	GLN	0	-0.028	-0.030	42.169	-0.033	-0.033	0.000	0.000	0.000	0.000
1133	I	83	VAL	0	0.033	0.018	36.609	-0.225	-0.225	0.000	0.000	0.000	0.000
1134	I	84	LEU	0	0.026	0.009	36.595	-0.059	-0.059	0.000	0.000	0.000	0.000
1135	I	85	LYS	1	0.946	0.980	40.187	-26.756	-26.756	0.000	0.000	0.000	0.000
1136	I	86	GLU	-1	-0.811	-0.898	41.370	27.743	27.743	0.000	0.000	0.000	0.000
1137	I	87	VAL	0	0.002	0.010	37.312	-0.050	-0.050	0.000	0.000	0.000	0.000
1138	I	88	GLU	-1	-0.866	-0.928	40.318	29.455	29.455	0.000	0.000	0.000	0.000
1139	I	89	GLU	-1	-0.910	-0.932	43.190	26.124	26.124	0.000	0.000	0.000	0.000
1140	I	90	CYS	0	-0.035	-0.013	41.116	-0.174	-0.174	0.000	0.000	0.000	0.000
1141	I	91	LYS	1	0.886	0.924	38.963	-31.238	-31.238	0.000	0.000	0.000	0.000
1142	I	92	LYS	1	0.872	0.948	42.661	-25.196	-25.196	0.000	0.000	0.000	0.000
1143	I	93	GLU	-1	-0.959	-0.982	46.200	25.433	25.433	0.000	0.000	0.000	0.000
1144	I	94	TYR	0	-0.030	-0.005	42.740	-0.223	-0.223	0.000	0.000	0.000	0.000
1145	I	95	PRO	0	0.041	0.031	42.204	0.811	0.811	0.000	0.000	0.000	0.000
1146	I	96	GLY	0	-0.021	-0.017	41.398	0.465	0.465	0.000	0.000	0.000	0.000
1147	I	97	ALA	0	-0.001	-0.001	39.007	0.379	0.379	0.000	0.000	0.000	0.000
1148	I	98	PHE	0	-0.034	-0.021	32.815	0.302	0.302	0.000	0.000	0.000	0.000
1149	I	99	ILE	0	0.029	0.009	34.992	-0.388	-0.388	0.000	0.000	0.000	0.000
1150	I	100	ARG	1	0.837	0.929	29.670	-39.558	-39.558	0.000	0.000	0.000	0.000
1151	I	101	ILE	0	0.010	0.015	31.933	-1.286	-1.286	0.000	0.000	0.000	0.000
1152	I	102	ILE	0	-0.009	0.003	30.120	1.529	1.529	0.000	0.000	0.000	0.000
1153	I	103	GLY	0	0.055	0.001	29.568	-1.409	-1.409	0.000	0.000	0.000	0.000
1154	I	104	PHE	0	-0.055	-0.020	28.762	1.791	1.791	0.000	0.000	0.000	0.000
1155	I	105	ASP	-1	-0.757	-0.882	26.684	42.469	42.469	0.000	0.000	0.000	0.000
1156	I	106	ASN	0	-0.027	-0.036	29.033	0.916	0.916	0.000	0.000	0.000	0.000
1157	I	107	THR	0	-0.030	-0.003	28.388	-1.017	-1.017	0.000	0.000	0.000	0.000
1158	I	108	ARG	1	0.859	0.921	20.310	-52.782	-52.782	0.000	0.000	0.000	0.000
1159	I	109	GLN	0	-0.061	-0.021	26.411	-0.352	-0.352	0.000	0.000	0.000	0.000
1160	I	110	VAL	0	0.041	0.021	22.894	0.936	0.936	0.000	0.000	0.000	0.000
1161	I	111	GLN	0	0.016	0.006	26.017	-0.478	-0.478	0.000	0.000	0.000	0.000
1162	I	112	CYS	0	-0.040	-0.014	24.116	2.443	2.443	0.000	0.000	0.000	0.000
1163	I	113	ILE	0	0.012	0.005	24.478	1.552	1.552	0.000	0.000	0.000	0.000
1164	I	114	SER	0	-0.012	-0.019	26.069	-1.600	-1.600	0.000	0.000	0.000	0.000
1165	I	115	PHE	0	0.050	0.040	26.035	1.566	1.566	0.000	0.000	0.000	0.000
1166	I	116	ILE	0	-0.051	-0.022	28.127	-1.490	-1.490	0.000	0.000	0.000	0.000
1167	I	117	ALA	0	0.026	0.005	30.467	0.230	0.230	0.000	0.000	0.000	0.000
1168	I	118	TYR	0	-0.062	-0.047	33.665	-0.963	-0.963	0.000	0.000	0.000	0.000
1169	I	119	LYS	1	0.922	0.965	28.662	-39.475	-39.475	0.000	0.000	0.000	0.000
1170	I	120	PRO	0	0.024	0.045	35.151	-0.599	-0.599	0.000	0.000	0.000	0.000
1171	I	121	PRO	0	0.055	0.007	37.439	0.478	0.478	0.000	0.000	0.000	0.000
1172	I	122	SER	0	-0.094	-0.035	38.872	0.255	0.255	0.000	0.000	0.000	0.000
1173	I	123	PHE	0	-0.010	-0.002	29.640	0.750	0.750	0.000	0.000	0.000	0.000
1175	B	502	CAP	-4	-3.215	-3.638	28.541	140.173	140.173	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1174(A:502:CAP)