FMO DATABASE

FMODB ID: 9G8R2

Calculation Name: 2VDI-ABIJ-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 2VDI

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	1217
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-44009642.539921
FMO2-HF: Nuclear repulsion	43521100.244479
FMO2-HF: Total energy	-488542.295442
FMO2-MP2: Total energy	-489937.611235

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.
-1005.403	-1040.203	212.535	-92.718	-85.012	-0.695

Interactive mode: IFIE and PIEDA for fragment #1216(A:1477:CAP)

Summations of interaction energy for fragment #1216(A:1477: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.
-1005.403	-1040.203	212.535	-92.718	-85.012	0.695

Interaction energy analysis for fragmet #1216(A:1477:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.170 / q_NPA : -3.564

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
163	A	173	THR	0	0.078	0.033	2.018	-17.886	-16.621	7.959	-4.556	-4.667	-0.013
164	A	174	ILE	0	-0.019	-0.014	4.069	6.358	6.617	-0.001	-0.071	-0.187	0.000
165	A	175	LYS	1	0.853	0.935	2.139	-240.876	-239.577	10.208	-4.823	-6.685	0.070
167	A	177	LYS	1	0.755	0.878	4.398	-164.121	-163.764	-0.001	-0.111	-0.245	0.000
191	A	201	KCX	-1	-0.509	-0.779	1.615	183.779	174.586	27.656	-10.658	-7.805	-0.096
193	A	203	ASP	0	0.194	0.045	4.368	6.200	6.374	-0.001	-0.035	-0.137	0.000
194	A	204	GLU	0	0.178	-0.023	4.086	-17.660	-17.283	-0.001	-0.089	-0.287	0.000
285	A	294	HIS	0	0.090	0.019	1.890	-6.397	-8.232	9.282	-3.071	-4.377	0.014
286	A	295	ARG	1	0.786	0.850	1.646	-270.302	-282.235	37.108	-15.503	-9.672	0.183
287	A	296	ALA	0	0.024	0.011	4.957	1.354	1.462	-0.001	-0.012	-0.095	0.000
289	A	298	HIS	1	0.825	0.896	2.997	-180.602	-178.185	0.205	-1.275	-1.348	0.014
318	A	327	HIS	0	-0.005	-0.014	1.717	-56.215	-58.572	17.134	-7.827	-6.951	0.083
319	A	328	SER	0	0.014	-0.003	4.945	-6.507	-6.343	-0.001	-0.016	-0.147	0.000
320	A	329	GLY	0	0.031	0.016	3.462	-8.628	-7.604	0.049	-0.507	-0.566	0.003
321	A	330	THR	0	0.010	-0.003	4.382	-21.472	-21.244	0.001	-0.047	-0.181	0.000
325	A	334	LYS	1	0.770	0.873	1.788	-273.112	-275.889	13.998	-6.032	-5.189	0.077
326	A	335	LEU	0	-0.017	-0.001	2.548	-20.663	-18.011	2.156	-1.750	-3.058	0.019
327	A	336	GLU	-1	-0.780	-0.886	5.714	81.810	81.865	-0.001	-0.001	-0.052	0.000
369	A	378	ALA	0	0.042	0.039	4.967	18.674	18.837	-0.001	-0.005	-0.157	0.000
370	A	379	SER	0	-0.010	-0.044	1.793	-31.537	-31.930	13.956	-7.108	-6.455	0.037
371	A	380	GLY	0	0.075	0.037	2.030	5.763	8.248	6.900	-4.800	-4.585	0.026
372	A	381	GLY	0	-0.036	-0.034	1.916	-43.213	-47.225	7.828	-0.417	-3.400	0.049
373	A	382	ILE	0	-0.043	-0.008	3.908	-28.647	-28.000	0.019	-0.283	-0.382	0.002
374	A	383	HIS	0	0.006	-0.026	5.593	7.110	7.205	-0.001	-0.002	-0.091	0.000
392	A	401	GLN	0	0.012	-0.005	4.034	-20.069	-19.839	-0.001	-0.021	-0.208	0.000
393	A	402	PHE	0	0.037	0.014	3.679	18.655	19.446	0.019	-0.287	-0.523	0.001
394	A	403	GLY	0	0.058	0.034	1.915	-38.447	-39.482	9.648	-5.061	-3.552	0.063
395	A	404	GLY	0	0.030	-0.006	1.812	-49.565	-56.273	12.636	-2.375	-3.553	0.056
396	A	405	GLY	0	-0.013	-0.005	3.717	-28.828	-28.152	0.037	-0.316	-0.396	0.005
524	B	65	THR	0	-0.047	-0.070	1.534	-12.959	-28.258	31.801	-12.279	-4.223	0.077
525	B	66	TRP	0	0.026	0.014	2.429	-48.959	-46.499	2.644	-2.068	-3.035	0.028
582	B	123	ASN	0	0.092	0.016	2.680	2.404	5.113	1.302	-1.307	-2.703	-0.003
583	B	124	VAL	0	-0.005	0.004	4.922	2.733	2.840	-0.001	-0.005	-0.100	0.000
1	A	11	ALA	0	0.000	-0.015	50.669	-0.159	-0.159	0.000	0.000	0.000	0.000
2	A	12	GLY	0	-0.002	0.008	52.051	0.117	0.117	0.000	0.000	0.000	0.000
3	A	13	PHE	0	-0.009	0.000	47.416	0.237	0.237	0.000	0.000	0.000	0.000
4	A	14	LYS	1	0.940	0.969	49.767	-23.691	-23.691	0.000	0.000	0.000	0.000
5	A	15	ALA	0	0.035	0.022	48.480	0.461	0.461	0.000	0.000	0.000	0.000
6	A	16	GLY	0	0.048	0.020	47.353	-0.378	-0.378	0.000	0.000	0.000	0.000
7	A	17	VAL	0	-0.005	0.001	42.119	0.287	0.287	0.000	0.000	0.000	0.000
8	A	18	LYS	1	0.886	0.947	43.295	-27.099	-27.099	0.000	0.000	0.000	0.000
9	A	19	ASP	-1	-0.866	-0.921	41.146	28.205	28.205	0.000	0.000	0.000	0.000
10	A	20	TYR	0	-0.047	-0.051	35.435	-0.314	-0.314	0.000	0.000	0.000	0.000
11	A	21	ARG	1	0.891	0.906	38.559	-28.985	-28.985	0.000	0.000	0.000	0.000
12	A	22	LEU	0	-0.053	-0.020	39.437	-0.284	-0.284	0.000	0.000	0.000	0.000
13	A	23	THR	0	-0.075	-0.034	39.886	-0.717	-0.717	0.000	0.000	0.000	0.000
14	A	24	TYR	0	0.028	0.001	35.304	-0.137	-0.137	0.000	0.000	0.000	0.000
15	A	25	TYR	0	-0.007	0.016	35.569	0.553	0.553	0.000	0.000	0.000	0.000
16	A	26	THR	0	-0.055	-0.042	36.863	-0.816	-0.816	0.000	0.000	0.000	0.000
17	A	27	PRO	0	0.026	0.015	37.274	0.496	0.496	0.000	0.000	0.000	0.000
18	A	28	ASP	-1	-0.898	-0.933	38.357	27.870	27.870	0.000	0.000	0.000	0.000
19	A	29	TYR	0	-0.152	-0.098	34.168	-0.791	-0.791	0.000	0.000	0.000	0.000
20	A	30	VAL	0	0.000	0.003	36.917	0.641	0.641	0.000	0.000	0.000	0.000
21	A	31	VAL	0	0.000	-0.001	31.819	-0.124	-0.124	0.000	0.000	0.000	0.000
22	A	32	ARG	1	0.932	0.968	34.112	-30.826	-30.826	0.000	0.000	0.000	0.000
23	A	33	ASP	-1	-0.864	-0.936	32.188	35.010	35.010	0.000	0.000	0.000	0.000
24	A	34	THR	0	-0.052	-0.044	31.064	0.636	0.636	0.000	0.000	0.000	0.000
25	A	35	ASP	-1	-0.810	-0.880	30.558	34.662	34.662	0.000	0.000	0.000	0.000
26	A	36	ILE	0	0.001	0.007	24.294	0.887	0.887	0.000	0.000	0.000	0.000
27	A	37	LEU	0	-0.040	-0.007	25.778	-1.169	-1.169	0.000	0.000	0.000	0.000
28	A	38	ALA	0	0.014	0.011	23.308	2.090	2.090	0.000	0.000	0.000	0.000
29	A	39	ALA	0	0.013	0.016	22.288	-1.810	-1.810	0.000	0.000	0.000	0.000
30	A	40	PHE	0	0.011	-0.007	21.922	2.694	2.694	0.000	0.000	0.000	0.000
31	A	41	ARG	1	0.826	0.915	19.465	-53.887	-53.887	0.000	0.000	0.000	0.000
32	A	42	MET	0	-0.022	-0.005	23.193	0.803	0.803	0.000	0.000	0.000	0.000
33	A	43	THR	0	0.024	0.014	24.908	-0.562	-0.562	0.000	0.000	0.000	0.000
34	A	44	PRO	0	0.055	0.019	27.385	0.292	0.292	0.000	0.000	0.000	0.000
35	A	45	GLN	0	-0.011	0.010	30.856	0.081	0.081	0.000	0.000	0.000	0.000
36	A	46	PRO	0	0.025	-0.002	32.985	-0.494	-0.494	0.000	0.000	0.000	0.000
37	A	47	GLY	0	-0.012	0.001	35.935	-0.422	-0.422	0.000	0.000	0.000	0.000
38	A	48	VAL	0	-0.029	-0.002	34.508	-0.695	-0.695	0.000	0.000	0.000	0.000
39	A	49	PRO	0	-0.017	-0.009	35.600	0.574	0.574	0.000	0.000	0.000	0.000
40	A	50	PRO	0	0.063	0.031	33.033	0.483	0.483	0.000	0.000	0.000	0.000
41	A	51	GLU	-1	-0.826	-0.916	33.582	31.200	31.200	0.000	0.000	0.000	0.000
42	A	52	GLU	-1	-0.761	-0.876	35.759	30.518	30.518	0.000	0.000	0.000	0.000
43	A	53	CYS	0	-0.031	-0.006	30.252	0.594	0.594	0.000	0.000	0.000	0.000
44	A	54	GLY	0	0.066	0.015	30.694	0.936	0.936	0.000	0.000	0.000	0.000
45	A	55	ALA	0	-0.040	-0.013	31.691	0.436	0.436	0.000	0.000	0.000	0.000
46	A	56	ALA	0	0.012	0.003	32.629	-0.022	-0.022	0.000	0.000	0.000	0.000
47	A	57	VAL	0	0.000	0.001	26.821	0.360	0.360	0.000	0.000	0.000	0.000
48	A	58	ALA	0	0.014	0.016	29.192	0.707	0.707	0.000	0.000	0.000	0.000
49	A	59	ALA	0	-0.007	0.020	31.089	-0.141	-0.141	0.000	0.000	0.000	0.000
50	A	60	GLU	-1	-0.760	-0.880	30.825	33.850	33.850	0.000	0.000	0.000	0.000
51	A	61	SER	0	-0.014	0.017	26.750	0.644	0.644	0.000	0.000	0.000	0.000
52	A	62	SER	0	-0.041	-0.046	28.638	0.064	0.064	0.000	0.000	0.000	0.000
53	A	63	THR	0	-0.015	-0.015	31.420	-0.397	-0.397	0.000	0.000	0.000	0.000
54	A	64	GLY	0	-0.008	0.009	34.647	-0.863	-0.863	0.000	0.000	0.000	0.000
55	A	65	THR	0	-0.050	-0.069	34.881	0.913	0.913	0.000	0.000	0.000	0.000
56	A	66	TRP	0	0.023	0.010	36.876	-0.634	-0.634	0.000	0.000	0.000	0.000
57	A	67	THR	0	-0.004	-0.001	38.560	-0.767	-0.767	0.000	0.000	0.000	0.000
58	A	68	THR	0	-0.065	-0.025	41.792	0.444	0.444	0.000	0.000	0.000	0.000
59	A	69	VAL	0	0.035	0.011	41.364	-0.442	-0.442	0.000	0.000	0.000	0.000
60	A	70	TRP	0	-0.045	-0.033	44.311	-0.217	-0.217	0.000	0.000	0.000	0.000
61	A	71	THR	0	-0.048	-0.061	42.603	-0.417	-0.417	0.000	0.000	0.000	0.000
62	A	72	ASP	-1	-0.840	-0.927	41.674	28.173	28.173	0.000	0.000	0.000	0.000
63	A	73	GLY	0	-0.044	-0.019	43.908	0.012	0.012	0.000	0.000	0.000	0.000
64	A	74	LEU	0	-0.088	-0.038	45.739	-0.468	-0.468	0.000	0.000	0.000	0.000
65	A	75	THR	0	-0.051	-0.037	41.102	0.015	0.015	0.000	0.000	0.000	0.000
66	A	76	SER	0	-0.017	-0.005	42.606	-0.302	-0.302	0.000	0.000	0.000	0.000
67	A	77	LEU	0	0.069	0.019	39.378	0.571	0.571	0.000	0.000	0.000	0.000
68	A	78	ASP	-1	-0.900	-0.953	39.404	27.991	27.991	0.000	0.000	0.000	0.000
69	A	79	ARG	1	0.827	0.933	38.914	-28.510	-28.510	0.000	0.000	0.000	0.000
70	A	80	TYR	0	0.009	-0.003	36.077	0.296	0.296	0.000	0.000	0.000	0.000
71	A	81	LYS	1	0.851	0.946	34.776	-28.161	-28.161	0.000	0.000	0.000	0.000
72	A	82	GLY	0	0.063	0.023	31.908	0.176	0.176	0.000	0.000	0.000	0.000
73	A	83	ARG	1	0.823	0.910	32.352	-31.456	-31.456	0.000	0.000	0.000	0.000
74	A	84	CYS	0	0.028	0.020	31.930	1.188	1.188	0.000	0.000	0.000	0.000
75	A	85	TYR	0	-0.013	-0.020	29.582	-0.639	-0.639	0.000	0.000	0.000	0.000
76	A	86	ASP	-1	-0.856	-0.928	31.509	34.203	34.203	0.000	0.000	0.000	0.000
77	A	87	ILE	0	-0.075	-0.033	31.098	0.975	0.975	0.000	0.000	0.000	0.000
78	A	88	GLU	-1	-0.749	-0.825	27.321	40.425	40.425	0.000	0.000	0.000	0.000
79	A	89	PRO	0	0.004	0.004	29.503	0.879	0.879	0.000	0.000	0.000	0.000
80	A	90	VAL	0	0.001	0.004	24.724	0.713	0.713	0.000	0.000	0.000	0.000
81	A	91	PRO	0	-0.032	-0.017	26.910	-0.722	-0.722	0.000	0.000	0.000	0.000
82	A	92	GLY	0	-0.014	-0.017	27.116	1.330	1.330	0.000	0.000	0.000	0.000
83	A	93	GLU	-1	-0.888	-0.938	24.255	45.976	45.976	0.000	0.000	0.000	0.000
84	A	94	ASP	-1	-0.930	-0.952	28.721	35.117	35.117	0.000	0.000	0.000	0.000
85	A	95	ASN	0	-0.089	-0.059	30.063	-1.484	-1.484	0.000	0.000	0.000	0.000
86	A	96	GLN	0	0.043	0.020	23.091	1.766	1.766	0.000	0.000	0.000	0.000
87	A	97	TYR	0	0.032	0.006	27.360	-1.052	-1.052	0.000	0.000	0.000	0.000
88	A	98	ILE	0	-0.018	-0.002	23.323	1.695	1.695	0.000	0.000	0.000	0.000
89	A	99	ALA	0	0.004	0.005	26.610	-1.619	-1.619	0.000	0.000	0.000	0.000
90	A	100	TYR	0	-0.062	-0.052	26.092	2.414	2.414	0.000	0.000	0.000	0.000
91	A	101	VAL	0	0.008	-0.003	27.474	-1.571	-1.571	0.000	0.000	0.000	0.000
92	A	102	ALA	0	-0.020	0.001	27.996	1.150	1.150	0.000	0.000	0.000	0.000
93	A	103	TYR	0	-0.016	-0.042	26.050	-0.641	-0.641	0.000	0.000	0.000	0.000
94	A	104	HYP	0	0.016	0.018	30.190	0.380	0.380	0.000	0.000	0.000	0.000
95	A	105	ILE	0	0.036	0.007	29.551	0.456	0.456	0.000	0.000	0.000	0.000
96	A	106	ASP	-1	-0.896	-0.957	31.010	31.952	31.952	0.000	0.000	0.000	0.000
97	A	107	LEU	0	-0.070	-0.040	30.165	-0.358	-0.358	0.000	0.000	0.000	0.000
98	A	108	PHE	0	-0.013	0.004	25.305	0.617	0.617	0.000	0.000	0.000	0.000
99	A	109	GLU	-1	-0.780	-0.868	27.092	38.090	38.090	0.000	0.000	0.000	0.000
100	A	110	GLU	-1	-0.782	-0.865	26.544	37.257	37.257	0.000	0.000	0.000	0.000
101	A	111	GLY	0	0.035	0.028	24.369	-0.089	-0.089	0.000	0.000	0.000	0.000
102	A	112	SER	0	-0.027	-0.014	22.762	2.352	2.352	0.000	0.000	0.000	0.000
103	A	113	VAL	0	0.025	0.014	16.590	-0.843	-0.843	0.000	0.000	0.000	0.000
104	A	114	THR	0	0.000	0.006	20.022	0.865	0.865	0.000	0.000	0.000	0.000
105	A	115	ASN	0	0.002	-0.004	20.847	-0.634	-0.634	0.000	0.000	0.000	0.000
106	A	116	MET	0	-0.003	0.013	19.193	-1.204	-1.204	0.000	0.000	0.000	0.000
107	A	117	PHE	0	0.004	-0.015	14.970	0.066	0.066	0.000	0.000	0.000	0.000
108	A	118	THR	0	-0.011	0.012	20.560	0.387	0.387	0.000	0.000	0.000	0.000
109	A	119	SER	0	0.017	0.006	23.478	-1.522	-1.522	0.000	0.000	0.000	0.000
110	A	120	ILE	0	-0.040	-0.007	22.049	-0.456	-0.456	0.000	0.000	0.000	0.000
111	A	121	VAL	0	-0.023	-0.028	18.387	-0.072	-0.072	0.000	0.000	0.000	0.000
112	A	122	GLY	0	0.016	0.032	21.726	0.857	0.857	0.000	0.000	0.000	0.000
113	A	123	ASN	0	0.101	0.020	23.818	1.556	1.556	0.000	0.000	0.000	0.000
114	A	124	VAL	0	0.001	0.007	24.486	-0.039	-0.039	0.000	0.000	0.000	0.000
115	A	125	PHE	0	0.028	0.015	19.742	-0.851	-0.851	0.000	0.000	0.000	0.000
116	A	126	GLY	0	0.029	0.008	24.073	0.410	0.410	0.000	0.000	0.000	0.000
117	A	127	PHE	0	-0.018	-0.006	26.425	-1.332	-1.332	0.000	0.000	0.000	0.000
118	A	128	LYS	1	0.801	0.897	29.484	-32.577	-32.577	0.000	0.000	0.000	0.000
119	A	129	ALA	0	-0.001	0.008	31.939	-0.043	-0.043	0.000	0.000	0.000	0.000
120	A	130	LEU	0	-0.038	-0.019	26.213	-0.388	-0.388	0.000	0.000	0.000	0.000
121	A	131	ARG	1	0.823	0.899	27.716	-38.008	-38.008	0.000	0.000	0.000	0.000
122	A	132	ALA	0	0.003	-0.002	22.500	1.346	1.346	0.000	0.000	0.000	0.000
123	A	133	LEU	0	-0.028	-0.008	22.433	-1.807	-1.807	0.000	0.000	0.000	0.000
124	A	134	ARG	1	0.821	0.907	13.215	-66.221	-66.221	0.000	0.000	0.000	0.000
125	A	135	LEU	0	-0.017	0.013	18.169	-1.953	-1.953	0.000	0.000	0.000	0.000
126	A	136	GLU	-1	-0.775	-0.878	17.316	63.385	63.385	0.000	0.000	0.000	0.000
127	A	137	ASP	-1	-0.794	-0.917	17.320	58.094	58.094	0.000	0.000	0.000	0.000
128	A	138	LEU	0	0.008	-0.003	18.835	-2.026	-2.026	0.000	0.000	0.000	0.000
129	A	139	ARG	1	0.843	0.940	20.907	-38.511	-38.511	0.000	0.000	0.000	0.000
130	A	140	ILE	0	0.033	0.001	20.153	-1.713	-1.713	0.000	0.000	0.000	0.000
131	A	141	PRO	0	0.014	0.029	23.446	0.126	0.126	0.000	0.000	0.000	0.000
132	A	142	PRO	0	0.109	0.039	26.561	0.447	0.447	0.000	0.000	0.000	0.000
133	A	143	ALA	0	-0.021	-0.018	27.873	0.139	0.139	0.000	0.000	0.000	0.000
134	A	144	TYR	0	-0.007	-0.018	23.411	0.082	0.082	0.000	0.000	0.000	0.000
135	A	145	VAL	0	0.043	0.028	22.702	0.454	0.454	0.000	0.000	0.000	0.000
136	A	146	LYS	1	0.930	0.954	24.706	-39.129	-39.129	0.000	0.000	0.000	0.000
137	A	147	THR	0	-0.081	-0.040	26.324	-0.650	-0.650	0.000	0.000	0.000	0.000
138	A	148	PHE	0	-0.010	-0.004	21.355	0.157	0.157	0.000	0.000	0.000	0.000
139	A	149	VAL	0	-0.019	-0.004	22.772	-0.532	-0.532	0.000	0.000	0.000	0.000
140	A	150	GLY	0	0.020	0.019	19.850	-0.331	-0.331	0.000	0.000	0.000	0.000
141	A	151	HYP	0	-0.044	-0.041	16.531	1.628	1.628	0.000	0.000	0.000	0.000
142	A	152	PRO	0	-0.034	0.004	17.343	-2.833	-2.833	0.000	0.000	0.000	0.000
143	A	153	HIS	0	-0.031	-0.013	19.234	-5.635	-5.635	0.000	0.000	0.000	0.000
144	A	154	GLY	0	0.058	0.019	17.711	-1.856	-1.856	0.000	0.000	0.000	0.000
145	A	155	ILE	0	-0.040	-0.018	15.557	-1.352	-1.352	0.000	0.000	0.000	0.000
146	A	156	GLN	0	-0.048	-0.013	18.295	0.079	0.079	0.000	0.000	0.000	0.000
147	A	157	VAL	0	0.069	0.028	22.062	-0.469	-0.469	0.000	0.000	0.000	0.000
148	A	158	GLU	-1	-0.809	-0.888	15.468	73.979	73.979	0.000	0.000	0.000	0.000
149	A	159	ARG	1	0.790	0.874	17.815	-62.970	-62.970	0.000	0.000	0.000	0.000
150	A	160	ASP	-1	-0.809	-0.885	21.090	45.720	45.720	0.000	0.000	0.000	0.000
151	A	161	LYS	1	0.798	0.916	21.948	-50.392	-50.392	0.000	0.000	0.000	0.000
152	A	162	LEU	0	-0.036	-0.025	17.060	-0.841	-0.841	0.000	0.000	0.000	0.000
153	A	163	ASN	0	-0.020	-0.005	21.517	-0.862	-0.862	0.000	0.000	0.000	0.000
154	A	164	LYS	1	0.754	0.874	17.769	-61.609	-61.609	0.000	0.000	0.000	0.000
155	A	165	TYR	0	-0.006	-0.035	21.500	1.412	1.412	0.000	0.000	0.000	0.000
156	A	166	GLY	0	0.015	0.022	22.486	-0.406	-0.406	0.000	0.000	0.000	0.000
157	A	167	ARG	1	0.772	0.859	15.856	-65.801	-65.801	0.000	0.000	0.000	0.000
158	A	168	GLY	0	0.051	0.044	15.261	0.056	0.056	0.000	0.000	0.000	0.000
159	A	169	LEU	0	-0.013	-0.009	13.469	-1.892	-1.892	0.000	0.000	0.000	0.000
160	A	170	LEU	0	0.004	0.005	10.296	6.331	6.331	0.000	0.000	0.000	0.000
161	A	171	GLY	0	0.054	0.005	8.627	-5.758	-5.758	0.000	0.000	0.000	0.000
162	A	172	CYS	0	-0.058	-0.024	5.446	2.793	2.793	0.000	0.000	0.000	0.000
166	A	176	PRO	0	0.045	0.029	6.946	-9.224	-9.224	0.000	0.000	0.000	0.000
168	A	178	LEU	0	-0.027	-0.005	7.502	-5.939	-5.939	0.000	0.000	0.000	0.000
169	A	179	GLY	0	0.069	0.026	11.071	0.094	0.094	0.000	0.000	0.000	0.000
170	A	180	LEU	0	-0.057	-0.003	11.331	-5.530	-5.530	0.000	0.000	0.000	0.000
171	A	181	SER	0	0.054	0.024	14.492	0.089	0.089	0.000	0.000	0.000	0.000
172	A	182	ALA	0	0.072	0.028	16.241	2.237	2.237	0.000	0.000	0.000	0.000
173	A	183	LYS	1	0.955	0.988	16.999	-46.787	-46.787	0.000	0.000	0.000	0.000
174	A	184	ASN	0	0.008	-0.013	15.863	-1.478	-1.478	0.000	0.000	0.000	0.000
175	A	185	TYR	0	0.093	0.047	8.227	1.636	1.636	0.000	0.000	0.000	0.000
176	A	186	GLY	0	0.049	0.028	13.539	2.548	2.548	0.000	0.000	0.000	0.000
177	A	187	ARG	1	0.895	0.942	16.067	-55.266	-55.266	0.000	0.000	0.000	0.000
178	A	188	ALA	0	0.011	0.002	11.496	-0.371	-0.371	0.000	0.000	0.000	0.000
179	A	189	VAL	0	0.011	0.007	11.244	3.064	3.064	0.000	0.000	0.000	0.000
180	A	190	TYR	0	-0.061	-0.067	13.162	-0.135	-0.135	0.000	0.000	0.000	0.000
181	A	191	GLU	-1	-0.888	-0.943	14.945	58.055	58.055	0.000	0.000	0.000	0.000
182	A	192	SER	0	0.012	-0.003	10.212	-1.217	-1.217	0.000	0.000	0.000	0.000
183	A	193	LEU	0	0.000	0.007	12.814	-0.178	-0.178	0.000	0.000	0.000	0.000
184	A	194	ARG	1	0.733	0.846	14.902	-56.878	-56.878	0.000	0.000	0.000	0.000
185	A	195	GLY	0	-0.022	-0.007	15.653	-2.729	-2.729	0.000	0.000	0.000	0.000
186	A	196	GLY	0	0.016	0.003	15.891	-0.909	-0.909	0.000	0.000	0.000	0.000
187	A	197	LEU	0	-0.038	-0.008	9.398	-0.087	-0.087	0.000	0.000	0.000	0.000
188	A	198	ASP	-1	-0.756	-0.826	13.078	66.970	66.970	0.000	0.000	0.000	0.000
189	A	199	PHE	0	0.026	0.000	10.638	-3.089	-3.089	0.000	0.000	0.000	0.000
190	A	200	THR	0	-0.024	-0.005	8.587	2.766	2.766	0.000	0.000	0.000	0.000
192	A	202	ASP	-1	-0.694	-0.827	6.955	85.239	85.239	0.000	0.000	0.000	0.000
196	A	205	ASN	0	0.008	0.004	5.700	-4.520	-4.520	0.000	0.000	0.000	0.000
197	A	206	VAL	0	-0.071	-0.015	8.365	-9.442	-9.442	0.000	0.000	0.000	0.000
198	A	207	ASN	0	-0.006	0.006	10.285	-2.289	-2.289	0.000	0.000	0.000	0.000
199	A	208	SER	0	0.030	0.007	13.106	-1.894	-1.894	0.000	0.000	0.000	0.000
200	A	209	GLN	0	0.005	-0.001	12.526	-1.273	-1.273	0.000	0.000	0.000	0.000
201	A	210	PRO	0	-0.001	-0.003	17.597	-1.054	-1.054	0.000	0.000	0.000	0.000
202	A	211	PHE	0	-0.033	-0.004	13.061	-1.544	-1.544	0.000	0.000	0.000	0.000
203	A	212	MET	0	-0.077	-0.025	12.192	-0.733	-0.733	0.000	0.000	0.000	0.000
204	A	213	ARG	1	0.835	0.906	16.841	-50.520	-50.520	0.000	0.000	0.000	0.000
205	A	214	TRP	0	0.060	0.012	16.668	0.601	0.601	0.000	0.000	0.000	0.000
206	A	215	ARG	1	0.960	0.989	17.628	-44.348	-44.348	0.000	0.000	0.000	0.000
207	A	216	ASP	-1	-0.877	-0.945	19.968	49.121	49.121	0.000	0.000	0.000	0.000
208	A	217	ARG	1	0.769	0.856	12.376	-75.801	-75.801	0.000	0.000	0.000	0.000
209	A	218	PHE	0	0.006	-0.011	14.756	0.626	0.626	0.000	0.000	0.000	0.000
210	A	219	LEU	0	0.030	0.018	17.950	-0.579	-0.579	0.000	0.000	0.000	0.000
211	A	220	PHE	0	0.003	-0.010	18.455	-0.932	-0.932	0.000	0.000	0.000	0.000
212	A	221	VAL	0	-0.022	-0.010	13.749	0.798	0.798	0.000	0.000	0.000	0.000
213	A	222	ALA	0	0.021	0.022	16.651	0.462	0.462	0.000	0.000	0.000	0.000
214	A	223	GLU	-1	-0.974	-0.984	19.556	46.950	46.950	0.000	0.000	0.000	0.000
215	A	224	ALA	0	-0.034	-0.022	16.731	-0.788	-0.788	0.000	0.000	0.000	0.000
216	A	225	ILE	0	0.001	-0.003	15.669	0.351	0.351	0.000	0.000	0.000	0.000
217	A	226	TYR	0	-0.019	-0.025	18.228	-0.633	-0.633	0.000	0.000	0.000	0.000
218	A	227	LYS	1	0.904	0.966	21.251	-48.785	-48.785	0.000	0.000	0.000	0.000
219	A	228	ALA	0	0.037	0.007	18.358	-1.274	-1.274	0.000	0.000	0.000	0.000
220	A	229	GLN	0	0.015	0.029	20.266	1.162	1.162	0.000	0.000	0.000	0.000
221	A	230	ALA	0	-0.001	0.005	21.925	-1.443	-1.443	0.000	0.000	0.000	0.000
222	A	231	GLU	-1	-0.826	-0.883	22.099	49.412	49.412	0.000	0.000	0.000	0.000
223	A	232	THR	0	-0.003	-0.024	19.529	-0.906	-0.906	0.000	0.000	0.000	0.000
224	A	233	GLY	0	-0.005	0.006	22.971	-0.885	-0.885	0.000	0.000	0.000	0.000
225	A	234	GLU	-1	-0.768	-0.857	19.419	57.078	57.078	0.000	0.000	0.000	0.000
226	A	235	VAL	0	0.014	0.005	19.509	0.637	0.637	0.000	0.000	0.000	0.000
227	A	236	LYS	1	0.827	0.926	16.655	-60.984	-60.984	0.000	0.000	0.000	0.000
228	A	237	GLY	0	0.040	0.009	15.266	-2.725	-2.725	0.000	0.000	0.000	0.000
229	A	238	HIS	1	0.772	0.845	9.654	-83.475	-83.475	0.000	0.000	0.000	0.000
230	A	239	TYR	0	0.024	0.006	7.231	-8.299	-8.299	0.000	0.000	0.000	0.000
231	A	240	LEU	0	-0.032	-0.007	10.150	4.221	4.221	0.000	0.000	0.000	0.000
232	A	241	ASN	0	-0.025	-0.026	8.628	-5.198	-5.198	0.000	0.000	0.000	0.000
233	A	242	ALA	0	-0.004	-0.004	11.382	-4.154	-4.154	0.000	0.000	0.000	0.000
234	A	243	THR	0	-0.032	-0.024	10.241	-5.365	-5.365	0.000	0.000	0.000	0.000
235	A	244	ALA	0	0.000	-0.001	13.291	-0.713	-0.713	0.000	0.000	0.000	0.000
236	A	245	GLY	0	0.034	0.022	16.404	0.722	0.722	0.000	0.000	0.000	0.000
237	A	246	THR	0	0.015	0.009	19.099	-0.570	-0.570	0.000	0.000	0.000	0.000
238	A	247	CYS	0	0.057	0.020	20.325	2.181	2.181	0.000	0.000	0.000	0.000
239	A	248	GLU	-1	-0.824	-0.893	21.814	45.222	45.222	0.000	0.000	0.000	0.000
240	A	249	GLU	-1	-0.823	-0.896	19.882	49.568	49.568	0.000	0.000	0.000	0.000
241	A	250	MET	0	-0.020	0.013	16.535	1.380	1.380	0.000	0.000	0.000	0.000
242	A	251	MET	0	-0.004	-0.001	18.718	1.219	1.219	0.000	0.000	0.000	0.000
243	A	252	LYS	1	0.845	0.911	21.524	-45.641	-45.641	0.000	0.000	0.000	0.000
244	A	253	ARG	1	0.722	0.840	15.765	-60.025	-60.025	0.000	0.000	0.000	0.000
245	A	254	ALA	0	0.050	0.018	18.528	0.516	0.516	0.000	0.000	0.000	0.000
246	A	255	VAL	0	-0.022	-0.006	19.355	-0.567	-0.567	0.000	0.000	0.000	0.000
247	A	256	SMC	0	-0.045	-0.010	20.859	-0.161	-0.161	0.000	0.000	0.000	0.000
248	A	257	ALA	0	0.028	0.004	17.842	-0.432	-0.432	0.000	0.000	0.000	0.000
249	A	258	LYS	1	0.888	0.930	19.887	-43.272	-43.272	0.000	0.000	0.000	0.000
250	A	259	GLU	-1	-0.978	-0.995	22.761	40.533	40.533	0.000	0.000	0.000	0.000
251	A	260	LEU	0	-0.073	-0.026	20.604	-1.077	-1.077	0.000	0.000	0.000	0.000
252	A	261	GLY	0	0.024	0.023	23.460	0.085	0.085	0.000	0.000	0.000	0.000
253	A	262	VAL	0	-0.036	-0.016	18.009	0.668	0.668	0.000	0.000	0.000	0.000
254	A	263	PRO	0	0.031	0.009	16.959	-0.120	-0.120	0.000	0.000	0.000	0.000
255	A	264	ILE	0	-0.042	-0.016	12.416	0.138	0.138	0.000	0.000	0.000	0.000
256	A	265	ILE	0	0.006	0.013	13.300	0.379	0.379	0.000	0.000	0.000	0.000
257	A	266	MET	0	-0.057	-0.018	5.279	2.382	2.382	0.000	0.000	0.000	0.000
258	A	267	HIS	0	-0.010	-0.020	10.122	-6.806	-6.806	0.000	0.000	0.000	0.000
259	A	268	ASP	-1	-0.740	-0.872	7.430	111.889	111.889	0.000	0.000	0.000	0.000
260	A	269	TYR	0	-0.052	-0.035	7.347	-2.233	-2.233	0.000	0.000	0.000	0.000
261	A	270	LEU	0	-0.023	0.001	7.697	-5.992	-5.992	0.000	0.000	0.000	0.000
262	A	271	THR	0	-0.032	-0.025	9.949	-4.146	-4.146	0.000	0.000	0.000	0.000
263	A	272	GLY	0	0.018	0.014	12.400	-4.593	-4.593	0.000	0.000	0.000	0.000
264	A	273	GLY	0	0.006	-0.004	13.780	-4.834	-4.834	0.000	0.000	0.000	0.000
265	A	274	PHE	0	0.060	0.010	13.398	0.644	0.644	0.000	0.000	0.000	0.000
266	A	275	THR	0	0.010	0.017	16.625	-0.494	-0.494	0.000	0.000	0.000	0.000
267	A	276	ALA	0	0.023	-0.006	17.328	-1.453	-1.453	0.000	0.000	0.000	0.000
268	A	277	ASN	0	0.010	0.001	13.595	3.015	3.015	0.000	0.000	0.000	0.000
269	A	278	THR	0	0.021	0.020	16.368	0.240	0.240	0.000	0.000	0.000	0.000
270	A	279	SER	0	-0.020	-0.028	19.242	-1.234	-1.234	0.000	0.000	0.000	0.000
271	A	280	LEU	0	-0.005	0.000	15.105	-1.380	-1.380	0.000	0.000	0.000	0.000
272	A	281	ALA	0	0.028	0.018	17.346	-0.335	-0.335	0.000	0.000	0.000	0.000
273	A	282	ILE	0	0.008	0.002	19.041	-1.273	-1.273	0.000	0.000	0.000	0.000
274	A	283	TYR	0	0.038	0.018	20.741	-1.836	-1.836	0.000	0.000	0.000	0.000
275	A	284	CYS	0	-0.048	-0.023	18.043	-0.247	-0.247	0.000	0.000	0.000	0.000
276	A	285	ARG	1	0.836	0.908	20.612	-48.728	-48.728	0.000	0.000	0.000	0.000
277	A	286	ASP	-1	-0.922	-0.959	23.324	41.446	41.446	0.000	0.000	0.000	0.000
278	A	287	ASN	0	-0.106	-0.055	23.326	-2.905	-2.905	0.000	0.000	0.000	0.000
279	A	288	GLY	0	-0.017	0.009	23.283	-0.147	-0.147	0.000	0.000	0.000	0.000
280	A	289	LEU	0	-0.026	-0.013	18.057	0.597	0.597	0.000	0.000	0.000	0.000
281	A	290	LEU	0	-0.029	-0.016	15.578	0.100	0.100	0.000	0.000	0.000	0.000
282	A	291	LEU	0	0.006	-0.007	13.325	1.205	1.205	0.000	0.000	0.000	0.000
283	A	292	HIS	0	0.007	-0.007	5.423	-7.675	-7.675	0.000	0.000	0.000	0.000
284	A	293	ILE	0	-0.001	0.003	8.098	-0.339	-0.339	0.000	0.000	0.000	0.000
288	A	297	MET	0	-0.003	-0.007	5.982	-12.281	-12.281	0.000	0.000	0.000	0.000
290	A	299	ALA	0	0.016	0.025	6.343	-8.549	-8.549	0.000	0.000	0.000	0.000
291	A	300	VAL	0	-0.037	-0.011	8.222	-7.925	-7.925	0.000	0.000	0.000	0.000
292	A	301	ILE	0	-0.018	-0.009	10.742	-6.427	-6.427	0.000	0.000	0.000	0.000
293	A	302	ASP	-1	-0.778	-0.882	8.287	108.562	108.562	0.000	0.000	0.000	0.000
294	A	303	ARG	1	0.767	0.882	9.049	-96.022	-96.022	0.000	0.000	0.000	0.000
295	A	304	GLN	0	-0.014	-0.017	11.082	-4.601	-4.601	0.000	0.000	0.000	0.000
296	A	305	ARG	1	0.844	0.921	14.881	-53.412	-53.412	0.000	0.000	0.000	0.000
297	A	306	ASN	0	-0.010	-0.020	17.020	0.155	0.155	0.000	0.000	0.000	0.000
298	A	307	HIS	0	-0.004	-0.015	18.118	-3.576	-3.576	0.000	0.000	0.000	0.000
299	A	308	GLY	0	0.046	0.038	15.841	3.034	3.034	0.000	0.000	0.000	0.000
300	A	309	ILE	0	-0.038	-0.035	14.183	-3.701	-3.701	0.000	0.000	0.000	0.000
301	A	310	HIS	0	0.016	0.010	11.784	4.775	4.775	0.000	0.000	0.000	0.000
302	A	311	PHE	0	0.056	0.017	6.712	2.261	2.261	0.000	0.000	0.000	0.000
303	A	312	ARG	1	0.890	0.928	10.443	-64.795	-64.795	0.000	0.000	0.000	0.000
304	A	313	VAL	0	-0.017	0.005	13.043	-2.125	-2.125	0.000	0.000	0.000	0.000
305	A	314	LEU	0	-0.001	-0.001	9.537	-1.785	-1.785	0.000	0.000	0.000	0.000
306	A	315	ALA	0	0.015	0.023	10.124	0.944	0.944	0.000	0.000	0.000	0.000
307	A	316	LYS	1	0.815	0.911	11.393	-58.119	-58.119	0.000	0.000	0.000	0.000
308	A	317	ALA	0	0.016	0.002	13.883	-2.355	-2.355	0.000	0.000	0.000	0.000
309	A	318	LEU	0	0.008	0.007	10.240	-2.184	-2.184	0.000	0.000	0.000	0.000
310	A	319	ARG	1	0.773	0.891	13.195	-60.958	-60.958	0.000	0.000	0.000	0.000
311	A	320	MET	0	-0.007	-0.001	15.455	-2.272	-2.272	0.000	0.000	0.000	0.000
312	A	321	SER	0	-0.056	-0.026	15.454	-1.030	-1.030	0.000	0.000	0.000	0.000
313	A	322	GLY	0	0.046	0.011	16.034	-2.354	-2.354	0.000	0.000	0.000	0.000
314	A	323	GLY	0	0.028	-0.017	13.108	2.622	2.622	0.000	0.000	0.000	0.000
315	A	324	ASP	-1	-0.729	-0.848	14.126	62.800	62.800	0.000	0.000	0.000	0.000
316	A	325	HIS	1	0.728	0.844	9.674	-88.904	-88.904	0.000	0.000	0.000	0.000
317	A	326	LEU	0	0.049	0.025	6.766	-1.423	-1.423	0.000	0.000	0.000	0.000
322	A	331	VAL	0	0.022	0.045	7.220	-11.249	-11.249	0.000	0.000	0.000	0.000
323	A	332	VAL	0	-0.014	-0.021	9.358	-3.607	-3.607	0.000	0.000	0.000	0.000
324	A	333	GLY	0	0.015	0.024	7.124	-4.154	-4.154	0.000	0.000	0.000	0.000
328	A	337	GLY	0	0.022	0.001	5.921	12.674	12.674	0.000	0.000	0.000	0.000
329	A	338	GLU	-1	-0.809	-0.891	8.117	67.221	67.221	0.000	0.000	0.000	0.000
330	A	339	ARG	1	0.862	0.922	11.650	-63.074	-63.074	0.000	0.000	0.000	0.000
331	A	340	GLU	-1	-0.815	-0.919	13.513	61.404	61.404	0.000	0.000	0.000	0.000
332	A	341	VAL	0	-0.021	-0.019	11.368	-0.669	-0.669	0.000	0.000	0.000	0.000
333	A	342	THR	0	-0.066	-0.052	9.044	4.558	4.558	0.000	0.000	0.000	0.000
334	A	343	LEU	0	-0.032	-0.016	11.273	0.442	0.442	0.000	0.000	0.000	0.000
335	A	344	GLY	0	0.049	0.036	14.468	-1.881	-1.881	0.000	0.000	0.000	0.000
336	A	345	PHE	0	-0.019	-0.023	7.813	-1.335	-1.335	0.000	0.000	0.000	0.000
337	A	346	VAL	0	-0.007	-0.009	10.962	1.733	1.733	0.000	0.000	0.000	0.000
338	A	347	ASP	-1	-0.865	-0.921	13.266	60.200	60.200	0.000	0.000	0.000	0.000
339	A	348	LEU	0	-0.076	-0.037	15.322	-1.878	-1.878	0.000	0.000	0.000	0.000
340	A	349	MET	0	-0.058	-0.009	9.543	1.325	1.325	0.000	0.000	0.000	0.000
341	A	350	ARG	1	0.817	0.902	14.473	-71.866	-71.866	0.000	0.000	0.000	0.000
342	A	351	ASP	-1	-0.859	-0.921	16.861	54.196	54.196	0.000	0.000	0.000	0.000
343	A	352	ASP	-1	-0.889	-0.946	20.365	45.382	45.382	0.000	0.000	0.000	0.000
344	A	353	TYR	0	-0.021	-0.017	23.329	-0.919	-0.919	0.000	0.000	0.000	0.000
345	A	354	VAL	0	0.000	0.011	19.567	0.532	0.532	0.000	0.000	0.000	0.000
346	A	355	GLU	-1	-0.867	-0.947	22.916	39.785	39.785	0.000	0.000	0.000	0.000
347	A	356	LYS	1	0.905	0.954	23.313	-39.183	-39.183	0.000	0.000	0.000	0.000
348	A	357	ASP	-1	-0.770	-0.874	21.737	48.339	48.339	0.000	0.000	0.000	0.000
349	A	358	ARG	1	0.811	0.875	21.384	-42.821	-42.821	0.000	0.000	0.000	0.000
350	A	359	SER	0	-0.097	-0.056	21.539	1.281	1.281	0.000	0.000	0.000	0.000
351	A	360	ARG	1	0.944	0.963	17.618	-55.844	-55.844	0.000	0.000	0.000	0.000
352	A	361	GLY	0	-0.036	-0.021	16.895	3.290	3.290	0.000	0.000	0.000	0.000
353	A	362	ILE	0	-0.035	0.004	18.278	1.025	1.025	0.000	0.000	0.000	0.000
354	A	363	TYR	0	-0.053	-0.046	19.336	-3.205	-3.205	0.000	0.000	0.000	0.000
355	A	364	PHE	0	-0.058	-0.041	22.415	-2.693	-2.693	0.000	0.000	0.000	0.000
356	A	365	THR	0	0.036	0.030	23.080	1.673	1.673	0.000	0.000	0.000	0.000
357	A	366	GLN	0	-0.061	-0.034	20.096	0.083	0.083	0.000	0.000	0.000	0.000
358	A	367	ASP	-1	-0.824	-0.912	23.353	41.786	41.786	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.021	-0.021	17.424	0.387	0.387	0.000	0.000	0.000	0.000
360	A	369	SMC	0	-0.040	-0.019	23.384	-0.405	-0.405	0.000	0.000	0.000	0.000
361	A	370	SER	0	-0.040	-0.023	25.576	-1.365	-1.365	0.000	0.000	0.000	0.000
362	A	371	MET	0	-0.062	-0.002	20.321	0.923	0.923	0.000	0.000	0.000	0.000
363	A	372	PRO	0	0.004	0.005	19.866	1.216	1.216	0.000	0.000	0.000	0.000
364	A	373	GLY	0	0.065	0.044	17.857	1.315	1.315	0.000	0.000	0.000	0.000
365	A	374	VAL	0	-0.045	-0.034	11.748	-0.002	-0.002	0.000	0.000	0.000	0.000
366	A	375	MET	0	0.011	0.004	11.846	0.771	0.771	0.000	0.000	0.000	0.000
367	A	376	PRO	0	0.001	0.002	9.233	6.129	6.129	0.000	0.000	0.000	0.000
368	A	377	VAL	0	-0.030	-0.015	5.500	-4.115	-4.115	0.000	0.000	0.000	0.000
375	A	384	VAL	0	0.050	0.014	8.389	-3.842	-3.842	0.000	0.000	0.000	0.000
376	A	385	TRP	0	-0.075	-0.038	11.760	-6.925	-6.925	0.000	0.000	0.000	0.000
377	A	386	HIS	0	0.041	0.024	9.129	0.966	0.966	0.000	0.000	0.000	0.000
378	A	387	MET	0	-0.039	0.012	10.932	0.402	0.402	0.000	0.000	0.000	0.000
379	A	388	PRO	0	0.015	-0.001	13.311	-1.291	-1.291	0.000	0.000	0.000	0.000
380	A	389	ALA	0	0.025	0.014	14.727	-1.616	-1.616	0.000	0.000	0.000	0.000
381	A	390	LEU	0	-0.002	0.004	9.441	0.900	0.900	0.000	0.000	0.000	0.000
382	A	391	VAL	0	0.009	-0.009	13.395	-0.575	-0.575	0.000	0.000	0.000	0.000
383	A	392	GLU	-1	-0.891	-0.916	16.259	61.659	61.659	0.000	0.000	0.000	0.000
384	A	393	ILE	0	-0.024	-0.002	12.117	-1.562	-1.562	0.000	0.000	0.000	0.000
385	A	394	PHE	0	-0.017	-0.009	8.696	0.077	0.077	0.000	0.000	0.000	0.000
386	A	395	GLY	0	0.035	0.037	14.096	-3.008	-3.008	0.000	0.000	0.000	0.000
387	A	396	ASP	-1	-0.815	-0.893	15.770	63.139	63.139	0.000	0.000	0.000	0.000
388	A	397	ASP	-1	-0.862	-0.917	16.076	62.948	62.948	0.000	0.000	0.000	0.000
389	A	398	ALA	0	0.048	0.013	10.962	2.208	2.208	0.000	0.000	0.000	0.000
390	A	399	CYS	0	-0.075	-0.017	9.631	-3.638	-3.638	0.000	0.000	0.000	0.000
391	A	400	LEU	0	0.014	0.011	8.807	9.661	9.661	0.000	0.000	0.000	0.000
397	A	406	THR	0	-0.054	-0.035	5.982	-20.909	-20.909	0.000	0.000	0.000	0.000
398	A	407	LEU	0	-0.024	-0.030	6.333	-12.078	-12.078	0.000	0.000	0.000	0.000
399	A	408	GLY	0	0.041	0.020	7.314	-6.916	-6.916	0.000	0.000	0.000	0.000
400	A	409	HIS	0	-0.016	0.005	8.541	-6.313	-6.313	0.000	0.000	0.000	0.000
401	A	410	PRO	0	0.003	-0.009	11.556	-2.282	-2.282	0.000	0.000	0.000	0.000
402	A	411	TRP	0	-0.065	-0.057	14.817	-4.484	-4.484	0.000	0.000	0.000	0.000
403	A	412	GLY	0	0.040	0.034	13.478	-2.882	-2.882	0.000	0.000	0.000	0.000
404	A	413	ASN	0	0.018	0.003	11.184	2.113	2.113	0.000	0.000	0.000	0.000
405	A	414	ALA	0	0.047	0.047	12.677	1.931	1.931	0.000	0.000	0.000	0.000
406	A	415	PRO	0	-0.010	-0.030	15.418	-0.093	-0.093	0.000	0.000	0.000	0.000
407	A	416	GLY	0	0.036	0.016	11.471	0.134	0.134	0.000	0.000	0.000	0.000
408	A	417	ALA	0	-0.014	0.002	11.374	3.037	3.037	0.000	0.000	0.000	0.000
409	A	418	ALA	0	0.011	0.020	12.303	-0.317	-0.317	0.000	0.000	0.000	0.000
410	A	419	ALA	0	-0.037	-0.015	12.974	-1.671	-1.671	0.000	0.000	0.000	0.000
411	A	420	ASN	0	0.002	-0.015	8.484	-1.282	-1.282	0.000	0.000	0.000	0.000
412	A	421	ARG	1	0.741	0.841	12.045	-62.381	-62.381	0.000	0.000	0.000	0.000
413	A	422	VAL	0	-0.004	-0.005	14.931	-2.528	-2.528	0.000	0.000	0.000	0.000
414	A	423	ALA	0	-0.003	-0.001	13.832	-2.187	-2.187	0.000	0.000	0.000	0.000
415	A	424	LEU	0	0.053	0.018	13.814	-1.726	-1.726	0.000	0.000	0.000	0.000
416	A	425	GLU	-1	-0.765	-0.875	15.652	53.549	53.549	0.000	0.000	0.000	0.000
417	A	426	ALA	0	0.000	0.002	19.027	-2.713	-2.713	0.000	0.000	0.000	0.000
418	A	427	CYS	0	-0.059	-0.031	17.475	-1.859	-1.859	0.000	0.000	0.000	0.000
419	A	428	THR	0	0.004	-0.007	18.527	-1.073	-1.073	0.000	0.000	0.000	0.000
420	A	429	GLN	0	-0.018	-0.009	20.921	-2.792	-2.792	0.000	0.000	0.000	0.000
421	A	430	ALA	0	-0.003	-0.003	22.907	-1.630	-1.630	0.000	0.000	0.000	0.000
422	A	431	ARG	1	0.814	0.871	20.029	-57.745	-57.745	0.000	0.000	0.000	0.000
423	A	432	ASN	0	-0.021	-0.018	24.503	-0.115	-0.115	0.000	0.000	0.000	0.000
424	A	433	GLU	-1	-0.941	-0.974	26.819	41.313	41.313	0.000	0.000	0.000	0.000
425	A	434	GLY	0	-0.016	0.002	28.155	-1.526	-1.526	0.000	0.000	0.000	0.000
426	A	435	ARG	1	0.817	0.903	25.802	-45.496	-45.496	0.000	0.000	0.000	0.000
427	A	436	ASP	-1	-0.797	-0.891	24.824	51.179	51.179	0.000	0.000	0.000	0.000
428	A	437	LEU	0	-0.023	-0.019	19.378	0.434	0.434	0.000	0.000	0.000	0.000
429	A	438	ALA	0	0.007	0.011	21.112	2.205	2.205	0.000	0.000	0.000	0.000
430	A	439	ARG	1	0.834	0.902	22.384	-46.067	-46.067	0.000	0.000	0.000	0.000
431	A	440	GLU	-1	-0.807	-0.893	24.555	44.290	44.290	0.000	0.000	0.000	0.000
432	A	441	GLY	0	0.057	0.029	20.236	0.212	0.212	0.000	0.000	0.000	0.000
433	A	442	GLY	0	-0.007	-0.018	20.086	1.218	1.218	0.000	0.000	0.000	0.000
434	A	443	ASP	-1	-0.841	-0.911	21.089	46.495	46.495	0.000	0.000	0.000	0.000
435	A	444	VAL	0	-0.007	0.017	20.602	-1.233	-1.233	0.000	0.000	0.000	0.000
436	A	445	ILE	0	0.045	0.025	16.377	-0.690	-0.690	0.000	0.000	0.000	0.000
437	A	446	ARG	1	0.872	0.907	19.578	-51.675	-51.675	0.000	0.000	0.000	0.000
438	A	447	SER	0	-0.071	-0.045	22.357	-2.148	-2.148	0.000	0.000	0.000	0.000
439	A	448	ALA	0	0.032	0.022	20.059	-1.200	-1.200	0.000	0.000	0.000	0.000
440	A	449	CYS	0	-0.058	-0.036	19.312	0.300	0.300	0.000	0.000	0.000	0.000
441	A	450	LYS	1	0.891	0.938	21.313	-44.906	-44.906	0.000	0.000	0.000	0.000
442	A	451	TRP	0	-0.030	0.005	21.496	-1.314	-1.314	0.000	0.000	0.000	0.000
443	A	452	SER	0	0.018	0.021	19.892	0.271	0.271	0.000	0.000	0.000	0.000
444	A	453	PRO	0	0.027	-0.001	20.751	1.603	1.603	0.000	0.000	0.000	0.000
445	A	454	GLU	-1	-0.817	-0.897	16.820	54.256	54.256	0.000	0.000	0.000	0.000
446	A	455	LEU	0	0.033	0.015	15.246	3.689	3.689	0.000	0.000	0.000	0.000
447	A	456	ALA	0	0.003	0.003	16.801	2.064	2.064	0.000	0.000	0.000	0.000
448	A	457	ALA	0	-0.031	-0.018	17.334	0.837	0.837	0.000	0.000	0.000	0.000
449	A	458	ALA	0	0.009	0.003	12.575	1.966	1.966	0.000	0.000	0.000	0.000
450	A	459	CYS	0	-0.045	-0.012	13.923	3.463	3.463	0.000	0.000	0.000	0.000
451	A	460	GLU	-1	-0.966	-0.985	16.046	55.356	55.356	0.000	0.000	0.000	0.000
452	A	461	VAL	0	-0.012	-0.001	12.307	0.058	0.058	0.000	0.000	0.000	0.000
453	A	462	TRP	0	-0.018	-0.022	8.471	2.452	2.452	0.000	0.000	0.000	0.000
454	A	463	LYS	1	0.910	0.975	13.164	-52.048	-52.048	0.000	0.000	0.000	0.000
455	A	464	GLU	-1	-0.916	-0.967	16.149	58.001	58.001	0.000	0.000	0.000	0.000
456	A	465	ILE	0	-0.072	-0.018	9.665	0.792	0.792	0.000	0.000	0.000	0.000
457	A	466	LYS	1	0.959	0.978	12.145	-64.369	-64.369	0.000	0.000	0.000	0.000
458	A	467	PHE	0	-0.001	0.001	7.248	2.245	2.245	0.000	0.000	0.000	0.000
459	A	468	GLU	-1	-0.925	-0.963	11.750	72.497	72.497	0.000	0.000	0.000	0.000
460	A	469	PHE	0	0.026	0.001	12.234	-2.396	-2.396	0.000	0.000	0.000	0.000
461	A	470	ASP	-1	-0.853	-0.927	14.990	61.852	61.852	0.000	0.000	0.000	0.000
462	A	471	THR	0	-0.037	-0.011	12.246	1.660	1.660	0.000	0.000	0.000	0.000
463	A	472	ILE	0	-0.005	0.002	12.837	-5.231	-5.231	0.000	0.000	0.000	0.000
464	A	473	ASP	-1	-0.800	-0.886	11.469	71.689	71.689	0.000	0.000	0.000	0.000
465	A	474	LYS	1	0.865	0.934	13.501	-59.947	-59.947	0.000	0.000	0.000	0.000
466	A	475	LEU	0	0.024	0.026	16.461	-3.437	-3.437	0.000	0.000	0.000	0.000
467	B	8	LYS	1	0.976	0.967	28.855	-38.321	-38.321	0.000	0.000	0.000	0.000
468	B	9	ALA	0	-0.004	0.007	25.326	0.190	0.190	0.000	0.000	0.000	0.000
469	B	10	GLY	0	0.033	0.019	25.200	-0.651	-0.651	0.000	0.000	0.000	0.000
470	B	11	ALA	0	-0.009	-0.008	19.996	0.431	0.431	0.000	0.000	0.000	0.000
471	B	12	GLY	0	0.014	0.014	19.864	0.326	0.326	0.000	0.000	0.000	0.000
472	B	13	PHE	0	-0.028	-0.008	11.596	0.245	0.245	0.000	0.000	0.000	0.000
473	B	14	LYS	1	0.936	0.967	15.338	-62.020	-62.020	0.000	0.000	0.000	0.000
474	B	15	ALA	0	0.032	0.021	12.365	2.997	2.997	0.000	0.000	0.000	0.000
475	B	16	GLY	0	0.053	0.019	11.323	-4.842	-4.842	0.000	0.000	0.000	0.000
476	B	17	VAL	0	-0.002	0.006	9.292	3.413	3.413	0.000	0.000	0.000	0.000
477	B	18	LYS	1	0.885	0.946	11.447	-79.128	-79.128	0.000	0.000	0.000	0.000
478	B	19	ASP	-1	-0.866	-0.920	12.376	71.643	71.643	0.000	0.000	0.000	0.000
479	B	20	TYR	0	-0.045	-0.048	6.640	-4.296	-4.296	0.000	0.000	0.000	0.000
480	B	21	ARG	1	0.887	0.909	13.374	-58.499	-58.499	0.000	0.000	0.000	0.000
481	B	22	LEU	0	-0.051	-0.019	16.260	-3.164	-3.164	0.000	0.000	0.000	0.000
482	B	23	THR	0	-0.081	-0.039	13.856	-3.385	-3.385	0.000	0.000	0.000	0.000
483	B	24	TYR	0	0.021	0.001	11.101	0.946	0.946	0.000	0.000	0.000	0.000
484	B	25	TYR	0	0.015	0.023	16.117	-0.483	-0.483	0.000	0.000	0.000	0.000
485	B	26	THR	0	-0.066	-0.044	19.423	-0.808	-0.808	0.000	0.000	0.000	0.000
486	B	27	PRO	0	0.019	0.013	22.228	-0.257	-0.257	0.000	0.000	0.000	0.000
487	B	28	ASP	-1	-0.890	-0.931	25.420	41.401	41.401	0.000	0.000	0.000	0.000
488	B	29	TYR	0	-0.151	-0.098	23.690	-0.701	-0.701	0.000	0.000	0.000	0.000
489	B	30	VAL	0	0.000	0.004	25.983	-0.250	-0.250	0.000	0.000	0.000	0.000
490	B	31	VAL	0	-0.010	-0.005	24.912	0.677	0.677	0.000	0.000	0.000	0.000
491	B	32	ARG	1	0.941	0.971	24.531	-48.001	-48.001	0.000	0.000	0.000	0.000
492	B	33	ASP	-1	-0.863	-0.933	26.940	40.219	40.219	0.000	0.000	0.000	0.000
493	B	34	THR	0	-0.047	-0.042	25.134	-0.505	-0.505	0.000	0.000	0.000	0.000
494	B	35	ASP	-1	-0.820	-0.888	22.631	52.467	52.467	0.000	0.000	0.000	0.000
495	B	36	ILE	0	0.000	0.008	18.422	-1.910	-1.910	0.000	0.000	0.000	0.000
496	B	37	LEU	0	-0.045	-0.007	20.278	1.677	1.677	0.000	0.000	0.000	0.000
497	B	38	ALA	0	0.014	0.010	17.362	-0.230	-0.230	0.000	0.000	0.000	0.000
498	B	39	ALA	0	0.017	0.018	19.289	-0.339	-0.339	0.000	0.000	0.000	0.000
499	B	40	PHE	0	0.007	-0.010	13.480	0.520	0.520	0.000	0.000	0.000	0.000
500	B	41	ARG	1	0.828	0.918	18.465	-50.848	-50.848	0.000	0.000	0.000	0.000
501	B	42	MET	0	-0.022	-0.007	16.620	4.568	4.568	0.000	0.000	0.000	0.000
502	B	43	THR	0	0.033	0.019	17.536	-4.417	-4.417	0.000	0.000	0.000	0.000
503	B	44	PRO	0	0.035	0.015	17.084	4.389	4.389	0.000	0.000	0.000	0.000
504	B	45	GLN	0	-0.007	0.011	13.902	-7.683	-7.683	0.000	0.000	0.000	0.000
505	B	46	PRO	0	0.022	-0.006	18.115	-1.305	-1.305	0.000	0.000	0.000	0.000
506	B	47	GLY	0	-0.008	0.002	20.732	1.315	1.315	0.000	0.000	0.000	0.000
507	B	48	VAL	0	-0.026	0.001	16.125	1.162	1.162	0.000	0.000	0.000	0.000
508	B	49	PRO	0	-0.019	-0.010	18.669	-1.262	-1.262	0.000	0.000	0.000	0.000
509	B	50	PRO	0	0.059	0.030	19.208	3.513	3.513	0.000	0.000	0.000	0.000
510	B	51	GLU	-1	-0.811	-0.912	19.570	55.100	55.100	0.000	0.000	0.000	0.000
511	B	52	GLU	-1	-0.766	-0.881	13.883	79.021	79.021	0.000	0.000	0.000	0.000
512	B	53	CYS	0	-0.024	0.000	14.991	5.899	5.899	0.000	0.000	0.000	0.000
513	B	54	GLY	0	0.050	0.010	14.705	4.202	4.202	0.000	0.000	0.000	0.000
514	B	55	ALA	0	-0.033	-0.011	15.437	1.914	1.914	0.000	0.000	0.000	0.000
515	B	56	ALA	0	0.010	0.001	10.973	3.963	3.963	0.000	0.000	0.000	0.000
516	B	57	VAL	0	0.005	0.007	10.809	7.797	7.797	0.000	0.000	0.000	0.000
517	B	58	ALA	0	0.024	0.027	11.745	3.011	3.011	0.000	0.000	0.000	0.000
518	B	59	ALA	0	-0.013	0.015	9.992	0.988	0.988	0.000	0.000	0.000	0.000
519	B	60	GLU	-1	-0.759	-0.884	5.313	183.921	183.921	0.000	0.000	0.000	0.000
520	B	61	SER	0	-0.028	0.003	7.314	5.109	5.109	0.000	0.000	0.000	0.000
521	B	62	SER	0	-0.023	-0.035	9.825	-6.665	-6.665	0.000	0.000	0.000	0.000
522	B	63	THR	0	-0.029	-0.022	9.930	-1.544	-1.544	0.000	0.000	0.000	0.000
523	B	64	GLY	0	-0.010	0.007	7.995	2.500	2.500	0.000	0.000	0.000	0.000
526	B	67	THR	0	0.002	0.002	5.338	-21.001	-21.001	0.000	0.000	0.000	0.000
527	B	68	THR	0	-0.062	-0.026	6.689	5.217	5.217	0.000	0.000	0.000	0.000
528	B	69	VAL	0	0.030	0.009	5.764	0.757	0.757	0.000	0.000	0.000	0.000
529	B	70	TRP	0	-0.044	-0.032	8.880	-8.827	-8.827	0.000	0.000	0.000	0.000
530	B	71	THR	0	-0.053	-0.065	9.583	-5.552	-5.552	0.000	0.000	0.000	0.000
531	B	72	ASP	-1	-0.845	-0.929	10.555	86.676	86.676	0.000	0.000	0.000	0.000
532	B	73	GLY	0	-0.041	-0.019	12.910	-3.562	-3.562	0.000	0.000	0.000	0.000
533	B	74	LEU	0	-0.085	-0.036	15.113	-3.776	-3.776	0.000	0.000	0.000	0.000
534	B	75	THR	0	-0.053	-0.039	14.233	-3.113	-3.113	0.000	0.000	0.000	0.000
535	B	76	SER	0	-0.013	-0.002	17.200	-1.560	-1.560	0.000	0.000	0.000	0.000
536	B	77	LEU	0	0.065	0.016	11.905	-0.766	-0.766	0.000	0.000	0.000	0.000
537	B	78	ASP	-1	-0.901	-0.954	15.998	55.931	55.931	0.000	0.000	0.000	0.000
538	B	79	ARG	1	0.834	0.934	19.295	-52.978	-52.978	0.000	0.000	0.000	0.000
539	B	80	TYR	0	0.009	-0.002	15.216	-0.973	-0.973	0.000	0.000	0.000	0.000
540	B	81	LYS	1	0.847	0.949	14.447	-59.440	-59.440	0.000	0.000	0.000	0.000
541	B	82	GLY	0	0.061	0.021	14.574	-4.156	-4.156	0.000	0.000	0.000	0.000
542	B	83	ARG	1	0.823	0.909	16.141	-54.573	-54.573	0.000	0.000	0.000	0.000
543	B	84	CYS	0	-0.015	0.007	17.757	-1.683	-1.683	0.000	0.000	0.000	0.000
544	B	85	TYR	0	0.012	-0.014	19.492	-0.451	-0.451	0.000	0.000	0.000	0.000
545	B	86	ASP	-1	-0.851	-0.926	22.883	43.139	43.139	0.000	0.000	0.000	0.000
546	B	87	ILE	0	-0.081	-0.035	20.837	2.998	2.998	0.000	0.000	0.000	0.000
547	B	88	GLU	-1	-0.741	-0.820	24.299	41.858	41.858	0.000	0.000	0.000	0.000
548	B	89	PRO	0	0.005	0.003	25.712	1.728	1.728	0.000	0.000	0.000	0.000
549	B	90	VAL	0	0.002	0.005	25.065	-0.989	-0.989	0.000	0.000	0.000	0.000
550	B	91	PRO	0	-0.031	-0.015	28.182	-0.520	-0.520	0.000	0.000	0.000	0.000
551	B	92	GLY	0	-0.010	-0.016	31.123	-0.049	-0.049	0.000	0.000	0.000	0.000
552	B	93	GLU	-1	-0.893	-0.939	26.327	45.253	45.253	0.000	0.000	0.000	0.000
553	B	94	ASP	-1	-0.926	-0.950	27.592	41.261	41.261	0.000	0.000	0.000	0.000
554	B	95	ASN	0	-0.086	-0.058	20.990	0.405	0.405	0.000	0.000	0.000	0.000
555	B	96	GLN	0	0.044	0.024	21.965	1.723	1.723	0.000	0.000	0.000	0.000
556	B	97	TYR	0	0.027	0.003	21.832	-2.369	-2.369	0.000	0.000	0.000	0.000
557	B	98	ILE	0	-0.023	-0.006	21.885	2.290	2.290	0.000	0.000	0.000	0.000
558	B	99	ALA	0	0.003	0.003	18.615	-1.160	-1.160	0.000	0.000	0.000	0.000
559	B	100	TYR	0	-0.047	-0.044	19.857	1.498	1.498	0.000	0.000	0.000	0.000
560	B	101	VAL	0	-0.001	-0.008	15.747	0.824	0.824	0.000	0.000	0.000	0.000
561	B	102	ALA	0	-0.008	0.006	19.043	-1.739	-1.739	0.000	0.000	0.000	0.000
562	B	103	TYR	0	-0.010	-0.040	13.218	1.189	1.189	0.000	0.000	0.000	0.000
563	B	104	HYP	0	0.003	0.012	17.376	-3.900	-3.900	0.000	0.000	0.000	0.000
564	B	105	ILE	0	0.034	0.008	18.689	2.417	2.417	0.000	0.000	0.000	0.000
565	B	106	ASP	-1	-0.886	-0.954	18.789	54.059	54.059	0.000	0.000	0.000	0.000
566	B	107	LEU	0	-0.067	-0.040	13.817	2.006	2.006	0.000	0.000	0.000	0.000
567	B	108	PHE	0	-0.014	0.007	14.677	4.366	4.366	0.000	0.000	0.000	0.000
568	B	109	GLU	-1	-0.787	-0.872	16.161	59.362	59.362	0.000	0.000	0.000	0.000
569	B	110	GLU	-1	-0.776	-0.863	17.845	52.121	52.121	0.000	0.000	0.000	0.000
570	B	111	GLY	0	0.043	0.031	21.323	0.183	0.183	0.000	0.000	0.000	0.000
571	B	112	SER	0	-0.029	-0.013	16.363	0.287	0.287	0.000	0.000	0.000	0.000
572	B	113	VAL	0	0.028	0.016	17.408	2.292	2.292	0.000	0.000	0.000	0.000
573	B	114	THR	0	0.004	0.007	13.588	2.091	2.091	0.000	0.000	0.000	0.000
574	B	115	ASN	0	-0.002	-0.007	12.357	2.360	2.360	0.000	0.000	0.000	0.000
575	B	116	MET	0	-0.009	0.008	12.756	3.702	3.702	0.000	0.000	0.000	0.000
576	B	117	PHE	0	0.011	-0.011	12.599	2.193	2.193	0.000	0.000	0.000	0.000
577	B	118	THR	0	-0.005	0.013	7.898	3.979	3.979	0.000	0.000	0.000	0.000
578	B	119	SER	0	0.008	0.002	8.149	11.992	11.992	0.000	0.000	0.000	0.000
579	B	120	ILE	0	-0.039	-0.005	9.496	5.392	5.392	0.000	0.000	0.000	0.000
580	B	121	VAL	0	-0.013	-0.025	10.388	0.209	0.209	0.000	0.000	0.000	0.000
581	B	122	GLY	0	0.014	0.033	6.530	3.010	3.010	0.000	0.000	0.000	0.000
584	B	125	PHE	0	0.035	0.019	8.326	-3.084	-3.084	0.000	0.000	0.000	0.000
585	B	126	GLY	0	0.029	0.008	5.778	-6.473	-6.473	0.000	0.000	0.000	0.000
586	B	127	PHE	0	-0.023	-0.007	5.344	3.779	3.779	0.000	0.000	0.000	0.000
587	B	128	LYS	1	0.817	0.904	8.535	-119.178	-119.178	0.000	0.000	0.000	0.000
588	B	129	ALA	0	-0.004	0.006	10.516	-7.322	-7.322	0.000	0.000	0.000	0.000
589	B	130	LEU	0	-0.045	-0.023	11.315	-6.576	-6.576	0.000	0.000	0.000	0.000
590	B	131	ARG	1	0.826	0.898	12.906	-58.397	-58.397	0.000	0.000	0.000	0.000
591	B	132	ALA	0	0.009	0.001	14.591	0.159	0.159	0.000	0.000	0.000	0.000
592	B	133	LEU	0	-0.032	-0.012	12.234	-0.615	-0.615	0.000	0.000	0.000	0.000
593	B	134	ARG	1	0.839	0.914	15.207	-51.123	-51.123	0.000	0.000	0.000	0.000
594	B	135	LEU	0	-0.028	0.009	15.340	-1.310	-1.310	0.000	0.000	0.000	0.000
595	B	136	GLU	-1	-0.779	-0.879	17.465	47.996	47.996	0.000	0.000	0.000	0.000
596	B	137	ASP	-1	-0.792	-0.918	20.842	44.670	44.670	0.000	0.000	0.000	0.000
597	B	138	LEU	0	-0.003	-0.006	17.199	2.735	2.735	0.000	0.000	0.000	0.000
598	B	139	ARG	1	0.854	0.942	21.297	-47.775	-47.775	0.000	0.000	0.000	0.000
599	B	140	ILE	0	0.031	0.000	21.000	1.883	1.883	0.000	0.000	0.000	0.000
600	B	141	PRO	0	0.013	0.028	23.279	-2.037	-2.037	0.000	0.000	0.000	0.000
601	B	142	PRO	0	0.109	0.040	26.371	0.825	0.825	0.000	0.000	0.000	0.000
602	B	143	ALA	0	-0.030	-0.021	26.968	-0.028	-0.028	0.000	0.000	0.000	0.000
603	B	144	TYR	0	0.002	-0.016	18.842	0.574	0.574	0.000	0.000	0.000	0.000
604	B	145	VAL	0	0.046	0.030	24.679	0.473	0.473	0.000	0.000	0.000	0.000
605	B	146	LYS	1	0.924	0.953	26.678	-36.682	-36.682	0.000	0.000	0.000	0.000
606	B	147	THR	0	-0.088	-0.043	23.845	-0.029	-0.029	0.000	0.000	0.000	0.000
607	B	148	PHE	0	-0.007	-0.004	20.513	0.775	0.775	0.000	0.000	0.000	0.000
608	B	149	VAL	0	-0.021	-0.005	26.212	-1.299	-1.299	0.000	0.000	0.000	0.000
609	B	150	GLY	0	0.027	0.023	27.525	-1.401	-1.401	0.000	0.000	0.000	0.000
610	B	151	HYP	0	-0.047	-0.043	28.650	0.070	0.070	0.000	0.000	0.000	0.000
611	B	152	PRO	0	-0.032	0.005	30.585	-0.688	-0.688	0.000	0.000	0.000	0.000
612	B	153	HIS	0	-0.032	-0.012	33.308	-1.583	-1.583	0.000	0.000	0.000	0.000
613	B	154	GLY	0	0.041	0.013	34.968	-0.205	-0.205	0.000	0.000	0.000	0.000
614	B	155	ILE	0	-0.032	-0.015	35.750	-0.910	-0.910	0.000	0.000	0.000	0.000
615	B	156	GLN	0	-0.048	-0.014	38.377	-0.294	-0.294	0.000	0.000	0.000	0.000
616	B	157	VAL	0	0.058	0.023	39.261	-0.629	-0.629	0.000	0.000	0.000	0.000
617	B	158	GLU	-1	-0.798	-0.882	37.987	30.891	30.891	0.000	0.000	0.000	0.000
618	B	159	ARG	1	0.809	0.882	40.672	-28.306	-28.306	0.000	0.000	0.000	0.000
619	B	160	ASP	-1	-0.818	-0.887	43.795	25.922	25.922	0.000	0.000	0.000	0.000
620	B	161	LYS	1	0.796	0.913	40.185	-30.019	-30.019	0.000	0.000	0.000	0.000
621	B	162	LEU	0	-0.025	-0.018	41.338	-0.509	-0.509	0.000	0.000	0.000	0.000
622	B	163	ASN	0	-0.032	-0.011	45.571	-0.511	-0.511	0.000	0.000	0.000	0.000
623	B	164	LYS	1	0.761	0.879	45.030	-26.104	-26.104	0.000	0.000	0.000	0.000
624	B	165	TYR	0	-0.020	-0.043	46.434	0.482	0.482	0.000	0.000	0.000	0.000
625	B	166	GLY	0	0.017	0.018	48.089	-0.454	-0.454	0.000	0.000	0.000	0.000
626	B	167	ARG	1	0.774	0.860	46.390	-25.769	-25.769	0.000	0.000	0.000	0.000
627	B	168	GLY	0	0.042	0.041	43.366	0.410	0.410	0.000	0.000	0.000	0.000
628	B	169	LEU	0	-0.011	-0.007	40.380	-0.610	-0.610	0.000	0.000	0.000	0.000
629	B	170	LEU	0	0.003	0.002	42.034	0.367	0.367	0.000	0.000	0.000	0.000
630	B	171	GLY	0	0.057	0.008	39.567	-0.112	-0.112	0.000	0.000	0.000	0.000
631	B	172	CYS	0	-0.038	-0.018	39.649	-0.270	-0.270	0.000	0.000	0.000	0.000
632	B	173	THR	0	0.088	0.047	34.396	-0.103	-0.103	0.000	0.000	0.000	0.000
633	B	174	ILE	0	-0.010	-0.008	37.464	-0.703	-0.703	0.000	0.000	0.000	0.000
634	B	175	LYS	1	0.850	0.933	34.674	-32.141	-32.141	0.000	0.000	0.000	0.000
635	B	176	PRO	0	0.035	0.024	38.032	-0.848	-0.848	0.000	0.000	0.000	0.000
636	B	177	LYS	1	0.760	0.883	30.462	-36.473	-36.473	0.000	0.000	0.000	0.000
637	B	178	LEU	0	-0.022	-0.004	30.367	0.067	0.067	0.000	0.000	0.000	0.000
638	B	179	GLY	0	0.061	0.022	35.011	-0.569	-0.569	0.000	0.000	0.000	0.000
639	B	180	LEU	0	-0.042	0.004	38.056	-0.985	-0.985	0.000	0.000	0.000	0.000
640	B	181	SER	0	0.055	0.022	39.470	0.425	0.425	0.000	0.000	0.000	0.000
641	B	182	ALA	0	0.076	0.026	41.016	-0.158	-0.158	0.000	0.000	0.000	0.000
642	B	183	LYS	1	0.947	0.983	42.023	-23.841	-23.841	0.000	0.000	0.000	0.000
643	B	184	ASN	0	0.008	-0.010	44.291	-0.856	-0.856	0.000	0.000	0.000	0.000
644	B	185	TYR	0	0.105	0.054	36.179	-0.221	-0.221	0.000	0.000	0.000	0.000
645	B	186	GLY	0	0.052	0.031	42.388	-0.060	-0.060	0.000	0.000	0.000	0.000
646	B	187	ARG	1	0.884	0.939	44.793	-24.177	-24.177	0.000	0.000	0.000	0.000
647	B	188	ALA	0	0.002	-0.003	43.572	-0.380	-0.380	0.000	0.000	0.000	0.000
648	B	189	VAL	0	0.043	0.022	41.707	-0.134	-0.134	0.000	0.000	0.000	0.000
649	B	190	TYR	0	-0.071	-0.072	44.471	-0.280	-0.280	0.000	0.000	0.000	0.000
650	B	191	GLU	-1	-0.887	-0.946	48.118	22.627	22.627	0.000	0.000	0.000	0.000
651	B	192	SER	0	0.000	-0.006	44.296	-0.408	-0.408	0.000	0.000	0.000	0.000
652	B	193	LEU	0	0.016	0.013	43.608	-0.222	-0.222	0.000	0.000	0.000	0.000
653	B	194	ARG	1	0.739	0.848	47.295	-22.489	-22.489	0.000	0.000	0.000	0.000
654	B	195	GLY	0	-0.019	-0.006	50.166	-0.438	-0.438	0.000	0.000	0.000	0.000
655	B	196	GLY	0	0.001	-0.002	49.826	-0.274	-0.274	0.000	0.000	0.000	0.000
656	B	197	LEU	0	-0.027	-0.003	43.607	0.104	0.104	0.000	0.000	0.000	0.000
657	B	198	ASP	-1	-0.754	-0.828	43.515	25.887	25.887	0.000	0.000	0.000	0.000
658	B	199	PHE	0	0.010	-0.009	39.753	0.067	0.067	0.000	0.000	0.000	0.000
659	B	200	THR	0	-0.048	-0.053	40.362	-0.548	-0.548	0.000	0.000	0.000	0.000
660	B	201	KCX	-1	-0.513	-0.786	31.994	36.369	36.369	0.000	0.000	0.000	0.000
661	B	202	ASP	-1	-0.703	-0.828	33.429	32.150	32.150	0.000	0.000	0.000	0.000
662	B	203	ASP	0	0.184	0.054	32.872	0.343	0.343	0.000	0.000	0.000	0.000
663	B	204	GLU	0	0.160	-0.033	27.267	-0.023	-0.023	0.000	0.000	0.000	0.000
664	B	1476	merge:B:AS	-1	-2.188	-1.554	27.043	35.771	35.771	0.000	0.000	0.000	0.000
665	B	205	ASN	0	0.005	0.001	27.605	0.003	0.003	0.000	0.000	0.000	0.000
666	B	206	VAL	0	-0.059	-0.008	28.635	-0.254	-0.254	0.000	0.000	0.000	0.000
667	B	207	ASN	0	-0.007	0.005	26.869	1.581	1.581	0.000	0.000	0.000	0.000
668	B	208	SER	0	0.019	0.006	30.407	-1.914	-1.914	0.000	0.000	0.000	0.000
669	B	209	GLN	0	0.017	0.002	30.083	0.366	0.366	0.000	0.000	0.000	0.000
670	B	210	PRO	0	-0.008	-0.006	32.777	-1.049	-1.049	0.000	0.000	0.000	0.000
671	B	211	PHE	0	-0.032	-0.005	33.586	-0.973	-0.973	0.000	0.000	0.000	0.000
672	B	212	MET	0	-0.088	-0.027	36.186	-1.244	-1.244	0.000	0.000	0.000	0.000
673	B	213	ARG	1	0.834	0.901	32.712	-32.585	-32.585	0.000	0.000	0.000	0.000
674	B	214	TRP	0	0.051	0.009	33.376	-0.978	-0.978	0.000	0.000	0.000	0.000
675	B	215	ARG	1	0.966	0.987	35.773	-29.100	-29.100	0.000	0.000	0.000	0.000
676	B	216	ASP	-1	-0.879	-0.943	38.659	27.864	27.864	0.000	0.000	0.000	0.000
677	B	217	ARG	1	0.771	0.858	33.397	-33.826	-33.826	0.000	0.000	0.000	0.000
678	B	218	PHE	0	0.010	-0.006	33.899	-0.636	-0.636	0.000	0.000	0.000	0.000
679	B	219	LEU	0	0.020	0.013	39.979	-0.474	-0.474	0.000	0.000	0.000	0.000
680	B	220	PHE	0	-0.009	-0.016	43.550	-0.670	-0.670	0.000	0.000	0.000	0.000
681	B	221	VAL	0	-0.003	0.000	40.107	-0.525	-0.525	0.000	0.000	0.000	0.000
682	B	222	ALA	0	0.021	0.020	43.232	-0.298	-0.298	0.000	0.000	0.000	0.000
683	B	223	GLU	-1	-0.980	-0.984	44.772	23.302	23.302	0.000	0.000	0.000	0.000
684	B	224	ALA	0	-0.029	-0.019	45.533	-0.510	-0.510	0.000	0.000	0.000	0.000
685	B	225	ILE	0	0.014	0.005	41.935	-0.371	-0.371	0.000	0.000	0.000	0.000
686	B	226	TYR	0	-0.039	-0.033	45.849	-0.524	-0.524	0.000	0.000	0.000	0.000
687	B	227	LYS	1	0.900	0.965	49.627	-22.615	-22.615	0.000	0.000	0.000	0.000
688	B	228	ALA	0	0.039	0.008	48.766	-0.471	-0.471	0.000	0.000	0.000	0.000
689	B	229	GLN	0	0.011	0.029	48.495	0.104	0.104	0.000	0.000	0.000	0.000
690	B	230	ALA	0	-0.006	0.002	51.197	-0.368	-0.368	0.000	0.000	0.000	0.000
691	B	231	GLU	-1	-0.841	-0.891	54.172	21.590	21.590	0.000	0.000	0.000	0.000
692	B	232	THR	0	0.003	-0.024	52.048	-0.257	-0.257	0.000	0.000	0.000	0.000
693	B	233	GLY	0	-0.006	0.004	54.442	-0.277	-0.277	0.000	0.000	0.000	0.000
694	B	234	GLU	-1	-0.772	-0.857	50.267	23.732	23.732	0.000	0.000	0.000	0.000
695	B	235	VAL	0	0.015	0.005	45.836	0.060	0.060	0.000	0.000	0.000	0.000
696	B	236	LYS	1	0.826	0.927	45.802	-24.538	-24.538	0.000	0.000	0.000	0.000
697	B	237	GLY	0	0.025	-0.001	41.963	0.096	0.096	0.000	0.000	0.000	0.000
698	B	238	HIS	0	-0.017	-0.008	37.404	-0.828	-0.828	0.000	0.000	0.000	0.000
699	B	239	TYR	0	-0.010	-0.014	34.242	-0.065	-0.065	0.000	0.000	0.000	0.000
700	B	240	LEU	0	-0.017	0.001	35.329	0.210	0.210	0.000	0.000	0.000	0.000
701	B	241	ASN	0	-0.016	-0.023	28.618	1.105	1.105	0.000	0.000	0.000	0.000
702	B	242	ALA	0	-0.012	-0.008	29.913	-0.447	-0.447	0.000	0.000	0.000	0.000
703	B	243	THR	0	-0.027	-0.017	24.240	1.119	1.119	0.000	0.000	0.000	0.000
704	B	244	ALA	0	0.010	0.000	25.176	-1.350	-1.350	0.000	0.000	0.000	0.000
705	B	245	GLY	0	0.031	0.022	22.815	1.734	1.734	0.000	0.000	0.000	0.000
706	B	246	THR	0	-0.001	0.003	21.943	1.644	1.644	0.000	0.000	0.000	0.000
707	B	247	CYS	0	0.041	0.011	22.194	-0.809	-0.809	0.000	0.000	0.000	0.000
708	B	248	GLU	-1	-0.814	-0.893	24.963	43.909	43.909	0.000	0.000	0.000	0.000
709	B	249	GLU	-1	-0.818	-0.893	27.416	34.887	34.887	0.000	0.000	0.000	0.000
710	B	250	MET	0	-0.023	0.014	25.372	-0.895	-0.895	0.000	0.000	0.000	0.000
711	B	251	MET	0	-0.007	-0.004	27.425	-1.640	-1.640	0.000	0.000	0.000	0.000
712	B	252	LYS	1	0.844	0.907	30.655	-36.579	-36.579	0.000	0.000	0.000	0.000
713	B	253	ARG	1	0.724	0.841	29.437	-39.054	-39.054	0.000	0.000	0.000	0.000
714	B	254	ALA	0	0.057	0.020	31.913	-1.019	-1.019	0.000	0.000	0.000	0.000
715	B	255	VAL	0	-0.025	-0.007	33.873	-0.871	-0.871	0.000	0.000	0.000	0.000
716	B	256	SMC	0	-0.039	-0.006	36.507	-0.980	-0.980	0.000	0.000	0.000	0.000
717	B	257	ALA	0	0.031	0.008	36.703	-0.832	-0.832	0.000	0.000	0.000	0.000
718	B	258	LYS	1	0.887	0.929	38.044	-30.718	-30.718	0.000	0.000	0.000	0.000
719	B	259	GLU	-1	-0.987	-1.001	39.796	28.379	28.379	0.000	0.000	0.000	0.000
720	B	260	LEU	0	-0.071	-0.022	40.799	-0.786	-0.786	0.000	0.000	0.000	0.000
721	B	261	GLY	0	0.024	0.016	43.041	-0.599	-0.599	0.000	0.000	0.000	0.000
722	B	262	VAL	0	-0.028	-0.011	39.842	-0.266	-0.266	0.000	0.000	0.000	0.000
723	B	263	PRO	0	0.032	0.008	41.000	0.532	0.532	0.000	0.000	0.000	0.000
724	B	264	ILE	0	-0.031	-0.012	35.838	0.397	0.397	0.000	0.000	0.000	0.000
725	B	265	ILE	0	-0.001	0.011	31.647	-0.327	-0.327	0.000	0.000	0.000	0.000
726	B	266	MET	0	-0.058	-0.020	29.801	-0.396	-0.396	0.000	0.000	0.000	0.000
727	B	267	HIS	0	-0.017	-0.023	22.675	0.471	0.471	0.000	0.000	0.000	0.000
728	B	268	ASP	-1	-0.741	-0.876	24.015	41.705	41.705	0.000	0.000	0.000	0.000
729	B	269	TYR	0	-0.055	-0.039	21.340	1.630	1.630	0.000	0.000	0.000	0.000
730	B	270	LEU	0	-0.033	-0.003	17.835	2.302	2.302	0.000	0.000	0.000	0.000
731	B	271	THR	0	-0.032	-0.024	17.627	2.487	2.487	0.000	0.000	0.000	0.000
732	B	272	GLY	0	0.029	0.018	18.865	1.189	1.189	0.000	0.000	0.000	0.000
733	B	273	GLY	0	0.002	-0.005	17.771	2.043	2.043	0.000	0.000	0.000	0.000
734	B	274	PHE	0	0.061	0.008	16.312	-3.239	-3.239	0.000	0.000	0.000	0.000
735	B	275	THR	0	-0.006	0.011	17.341	-1.232	-1.232	0.000	0.000	0.000	0.000
736	B	276	ALA	0	0.027	-0.004	19.593	-2.294	-2.294	0.000	0.000	0.000	0.000
737	B	277	ASN	0	0.013	0.002	21.772	-2.939	-2.939	0.000	0.000	0.000	0.000
738	B	278	THR	0	0.018	0.019	21.496	-2.080	-2.080	0.000	0.000	0.000	0.000
739	B	279	SER	0	-0.031	-0.035	23.965	-0.754	-0.754	0.000	0.000	0.000	0.000
740	B	280	LEU	0	-0.007	0.000	25.773	-1.923	-1.923	0.000	0.000	0.000	0.000
741	B	281	ALA	0	0.034	0.021	27.358	-1.791	-1.791	0.000	0.000	0.000	0.000
742	B	282	ILE	0	0.006	0.003	26.184	-1.355	-1.355	0.000	0.000	0.000	0.000
743	B	283	TYR	0	0.032	0.014	29.937	-1.532	-1.532	0.000	0.000	0.000	0.000
744	B	284	CYS	0	-0.038	-0.018	31.686	-1.429	-1.429	0.000	0.000	0.000	0.000
745	B	285	ARG	1	0.825	0.901	32.769	-36.500	-36.500	0.000	0.000	0.000	0.000
746	B	286	ASP	-1	-0.923	-0.959	33.242	33.985	33.985	0.000	0.000	0.000	0.000
747	B	287	ASN	0	-0.101	-0.052	35.240	-1.827	-1.827	0.000	0.000	0.000	0.000
748	B	288	GLY	0	-0.019	0.009	37.683	-0.766	-0.766	0.000	0.000	0.000	0.000
749	B	289	LEU	0	-0.014	-0.008	35.599	-0.577	-0.577	0.000	0.000	0.000	0.000
750	B	290	LEU	0	-0.038	-0.021	35.870	0.654	0.654	0.000	0.000	0.000	0.000
751	B	291	LEU	0	0.008	-0.006	28.383	0.019	0.019	0.000	0.000	0.000	0.000
752	B	292	HIS	0	0.012	-0.002	31.343	-0.169	-0.169	0.000	0.000	0.000	0.000
753	B	293	ILE	0	0.021	0.011	25.710	0.676	0.676	0.000	0.000	0.000	0.000
754	B	294	HIS	0	0.698	0.605	26.936	0.674	0.674	0.000	0.000	0.000	0.000
755	B	295	ARG	1	0.771	0.841	24.010	-39.812	-39.812	0.000	0.000	0.000	0.000
756	B	296	ALA	0	0.037	0.014	23.350	1.268	1.268	0.000	0.000	0.000	0.000
757	B	297	MET	0	-0.013	-0.011	14.802	1.784	1.784	0.000	0.000	0.000	0.000
758	B	298	HIS	1	0.826	0.896	19.462	-44.017	-44.017	0.000	0.000	0.000	0.000
759	B	299	ALA	0	0.016	0.027	20.181	1.596	1.596	0.000	0.000	0.000	0.000
760	B	300	VAL	0	-0.029	-0.008	15.946	0.210	0.210	0.000	0.000	0.000	0.000
761	B	301	ILE	0	-0.020	-0.012	14.897	2.676	2.676	0.000	0.000	0.000	0.000
762	B	302	ASP	-1	-0.788	-0.884	17.276	50.249	50.249	0.000	0.000	0.000	0.000
763	B	303	ARG	1	0.779	0.887	20.543	-43.685	-43.685	0.000	0.000	0.000	0.000
764	B	304	GLN	0	-0.022	-0.021	19.701	-2.349	-2.349	0.000	0.000	0.000	0.000
765	B	305	ARG	1	0.848	0.918	21.082	-42.302	-42.302	0.000	0.000	0.000	0.000
766	B	306	ASN	0	-0.003	-0.017	19.483	0.561	0.561	0.000	0.000	0.000	0.000
767	B	307	HIS	0	-0.010	-0.014	11.900	-0.472	-0.472	0.000	0.000	0.000	0.000
768	B	308	GLY	0	0.049	0.035	15.255	-2.129	-2.129	0.000	0.000	0.000	0.000
769	B	309	ILE	0	-0.041	-0.038	13.736	1.915	1.915	0.000	0.000	0.000	0.000
770	B	310	HIS	0	0.013	0.006	17.803	-1.214	-1.214	0.000	0.000	0.000	0.000
771	B	311	PHE	0	0.050	0.017	21.381	0.741	0.741	0.000	0.000	0.000	0.000
772	B	312	ARG	1	0.900	0.938	23.375	-46.166	-46.166	0.000	0.000	0.000	0.000
773	B	313	VAL	0	-0.021	0.001	18.089	-0.521	-0.521	0.000	0.000	0.000	0.000
774	B	314	LEU	0	-0.006	-0.005	17.676	0.520	0.520	0.000	0.000	0.000	0.000
775	B	315	ALA	0	0.019	0.028	21.113	-0.498	-0.498	0.000	0.000	0.000	0.000
776	B	316	LYS	1	0.835	0.919	22.735	-47.056	-47.056	0.000	0.000	0.000	0.000
777	B	317	ALA	0	0.010	-0.001	19.527	-0.451	-0.451	0.000	0.000	0.000	0.000
778	B	318	LEU	0	-0.002	0.006	21.420	-0.119	-0.119	0.000	0.000	0.000	0.000
779	B	319	ARG	1	0.789	0.897	23.970	-38.677	-38.677	0.000	0.000	0.000	0.000
780	B	320	MET	0	-0.014	-0.003	20.917	-0.937	-0.937	0.000	0.000	0.000	0.000
781	B	321	SER	0	-0.059	-0.029	21.791	-0.541	-0.541	0.000	0.000	0.000	0.000
782	B	322	GLY	0	0.051	0.013	23.769	-0.686	-0.686	0.000	0.000	0.000	0.000
783	B	323	GLY	0	0.032	-0.015	27.312	0.681	0.681	0.000	0.000	0.000	0.000
784	B	324	ASP	-1	-0.728	-0.848	29.580	34.332	34.332	0.000	0.000	0.000	0.000
785	B	325	HIS	1	0.732	0.846	32.343	-33.740	-33.740	0.000	0.000	0.000	0.000
786	B	326	LEU	0	0.039	0.019	25.979	1.180	1.180	0.000	0.000	0.000	0.000
787	B	327	HIS	0	0.000	0.000	28.624	-1.305	-1.305	0.000	0.000	0.000	0.000
788	B	328	SER	0	0.021	-0.002	28.753	1.167	1.167	0.000	0.000	0.000	0.000
789	B	329	GLY	0	0.037	0.020	30.824	0.427	0.427	0.000	0.000	0.000	0.000
790	B	330	THR	0	0.016	0.001	31.715	-0.762	-0.762	0.000	0.000	0.000	0.000
791	B	331	VAL	0	0.015	0.040	34.153	-1.045	-1.045	0.000	0.000	0.000	0.000
792	B	332	VAL	0	-0.014	-0.022	35.622	-0.015	-0.015	0.000	0.000	0.000	0.000
793	B	333	GLY	0	0.009	0.022	36.668	-0.595	-0.595	0.000	0.000	0.000	0.000
794	B	334	LYS	1	0.775	0.877	32.872	-33.491	-33.491	0.000	0.000	0.000	0.000
795	B	335	LEU	0	-0.009	0.002	28.578	0.555	0.555	0.000	0.000	0.000	0.000
796	B	336	GLU	-1	-0.781	-0.887	27.988	39.837	39.837	0.000	0.000	0.000	0.000
797	B	337	GLY	0	0.024	0.000	29.626	0.895	0.895	0.000	0.000	0.000	0.000
798	B	338	GLU	-1	-0.813	-0.892	30.924	34.174	34.174	0.000	0.000	0.000	0.000
799	B	339	ARG	1	0.864	0.927	32.926	-29.211	-29.211	0.000	0.000	0.000	0.000
800	B	340	GLU	-1	-0.814	-0.920	34.946	31.967	31.967	0.000	0.000	0.000	0.000
801	B	341	VAL	0	-0.024	-0.020	28.557	0.565	0.565	0.000	0.000	0.000	0.000
802	B	342	THR	0	-0.071	-0.055	30.815	0.918	0.918	0.000	0.000	0.000	0.000
803	B	343	LEU	0	-0.031	-0.015	32.420	0.081	0.081	0.000	0.000	0.000	0.000
804	B	344	GLY	0	0.043	0.031	31.870	-0.120	-0.120	0.000	0.000	0.000	0.000
805	B	345	PHE	0	-0.029	-0.026	28.060	0.645	0.645	0.000	0.000	0.000	0.000
806	B	346	VAL	0	-0.003	-0.006	29.916	0.348	0.348	0.000	0.000	0.000	0.000
807	B	347	ASP	-1	-0.861	-0.917	32.943	33.131	33.131	0.000	0.000	0.000	0.000
808	B	348	LEU	0	-0.083	-0.043	27.174	0.485	0.485	0.000	0.000	0.000	0.000
809	B	349	MET	0	-0.065	-0.009	29.080	0.960	0.960	0.000	0.000	0.000	0.000
810	B	350	ARG	1	0.826	0.909	30.806	-32.090	-32.090	0.000	0.000	0.000	0.000
811	B	351	ASP	-1	-0.863	-0.923	34.258	31.992	31.992	0.000	0.000	0.000	0.000
812	B	352	ASP	-1	-0.889	-0.947	33.614	34.819	34.819	0.000	0.000	0.000	0.000
813	B	353	TYR	0	-0.013	-0.015	33.811	1.217	1.217	0.000	0.000	0.000	0.000
814	B	354	VAL	0	0.003	0.014	31.742	-0.707	-0.707	0.000	0.000	0.000	0.000
815	B	355	GLU	-1	-0.866	-0.948	32.484	34.496	34.496	0.000	0.000	0.000	0.000
816	B	356	LYS	1	0.901	0.953	30.241	-39.164	-39.164	0.000	0.000	0.000	0.000
817	B	357	ASP	-1	-0.770	-0.873	31.767	33.285	33.285	0.000	0.000	0.000	0.000
818	B	358	ARG	1	0.804	0.873	28.247	-41.758	-41.758	0.000	0.000	0.000	0.000
819	B	359	SER	0	-0.096	-0.057	31.706	0.469	0.469	0.000	0.000	0.000	0.000
820	B	360	ARG	1	0.948	0.963	32.696	-32.791	-32.791	0.000	0.000	0.000	0.000
821	B	361	GLY	0	-0.029	-0.020	28.642	0.838	0.838	0.000	0.000	0.000	0.000
822	B	362	ILE	0	-0.039	0.006	27.294	2.001	2.001	0.000	0.000	0.000	0.000
823	B	363	TYR	0	-0.048	-0.042	25.244	-0.886	-0.886	0.000	0.000	0.000	0.000
824	B	364	PHE	0	-0.054	-0.040	22.362	-0.434	-0.434	0.000	0.000	0.000	0.000
825	B	365	THR	0	0.030	0.027	27.875	-0.114	-0.114	0.000	0.000	0.000	0.000
826	B	366	GLN	0	-0.059	-0.037	26.174	2.870	2.870	0.000	0.000	0.000	0.000
827	B	367	ASP	-1	-0.840	-0.919	29.601	35.125	35.125	0.000	0.000	0.000	0.000
828	B	368	TRP	0	-0.008	-0.015	25.501	2.316	2.316	0.000	0.000	0.000	0.000
829	B	369	SMC	0	-0.042	-0.020	31.077	0.149	0.149	0.000	0.000	0.000	0.000
830	B	370	SER	0	-0.040	-0.024	33.402	-0.353	-0.353	0.000	0.000	0.000	0.000
831	B	371	MET	0	-0.061	0.000	27.177	-0.019	-0.019	0.000	0.000	0.000	0.000
832	B	372	PRO	0	0.005	0.006	32.450	-0.179	-0.179	0.000	0.000	0.000	0.000
833	B	373	GLY	0	0.060	0.039	32.380	1.120	1.120	0.000	0.000	0.000	0.000
834	B	374	VAL	0	-0.040	-0.032	29.226	-0.565	-0.565	0.000	0.000	0.000	0.000
835	B	375	MET	0	0.001	0.001	32.664	-0.361	-0.361	0.000	0.000	0.000	0.000
836	B	376	PRO	0	-0.002	0.002	33.062	0.819	0.819	0.000	0.000	0.000	0.000
837	B	377	VAL	0	-0.021	-0.012	32.865	-1.227	-1.227	0.000	0.000	0.000	0.000
838	B	378	ALA	0	0.047	0.039	33.238	0.963	0.963	0.000	0.000	0.000	0.000
839	B	379	SER	0	-0.016	-0.046	33.258	-1.242	-1.242	0.000	0.000	0.000	0.000
840	B	380	GLY	0	0.082	0.038	33.770	0.777	0.777	0.000	0.000	0.000	0.000
841	B	381	GLY	0	-0.035	-0.033	34.861	0.033	0.033	0.000	0.000	0.000	0.000
842	B	382	ILE	0	-0.045	-0.010	37.684	-0.450	-0.450	0.000	0.000	0.000	0.000
843	B	383	HIS	0	0.011	-0.022	40.262	-0.593	-0.593	0.000	0.000	0.000	0.000
844	B	384	VAL	0	0.054	0.014	44.001	0.087	0.087	0.000	0.000	0.000	0.000
845	B	385	TRP	0	-0.078	-0.039	46.977	-0.416	-0.416	0.000	0.000	0.000	0.000
846	B	386	HIS	0	0.033	0.021	41.784	-0.090	-0.090	0.000	0.000	0.000	0.000
847	B	387	MET	0	-0.028	0.016	44.055	0.516	0.516	0.000	0.000	0.000	0.000
848	B	388	PRO	0	0.017	0.000	45.538	0.168	0.168	0.000	0.000	0.000	0.000
849	B	389	ALA	0	0.035	0.018	42.863	0.114	0.114	0.000	0.000	0.000	0.000
850	B	390	LEU	0	-0.011	0.003	39.217	0.545	0.545	0.000	0.000	0.000	0.000
851	B	391	VAL	0	0.009	-0.011	41.868	0.405	0.405	0.000	0.000	0.000	0.000
852	B	392	GLU	-1	-0.895	-0.920	43.709	28.111	28.111	0.000	0.000	0.000	0.000
853	B	393	ILE	0	-0.027	-0.003	37.735	0.244	0.244	0.000	0.000	0.000	0.000
854	B	394	PHE	0	-0.013	-0.006	34.943	0.532	0.532	0.000	0.000	0.000	0.000
855	B	395	GLY	0	0.030	0.033	40.069	0.184	0.184	0.000	0.000	0.000	0.000
856	B	396	ASP	-1	-0.812	-0.892	42.760	26.179	26.179	0.000	0.000	0.000	0.000
857	B	397	ASP	-1	-0.860	-0.906	39.443	29.120	29.120	0.000	0.000	0.000	0.000
858	B	398	ALA	0	0.049	0.011	38.039	0.966	0.966	0.000	0.000	0.000	0.000
859	B	399	CYS	0	-0.080	-0.018	37.193	-1.026	-1.026	0.000	0.000	0.000	0.000
860	B	400	LEU	0	0.011	0.009	37.693	0.705	0.705	0.000	0.000	0.000	0.000
861	B	401	GLN	0	0.019	0.001	34.470	-0.692	-0.692	0.000	0.000	0.000	0.000
862	B	402	PHE	0	0.017	0.006	38.785	0.268	0.268	0.000	0.000	0.000	0.000
863	B	403	GLY	0	0.079	0.049	38.646	-0.521	-0.521	0.000	0.000	0.000	0.000
864	B	404	GLY	0	0.015	-0.012	39.308	-0.821	-0.821	0.000	0.000	0.000	0.000
865	B	405	GLY	0	-0.024	-0.011	41.246	-0.683	-0.683	0.000	0.000	0.000	0.000
866	B	406	THR	0	-0.041	-0.036	43.202	-0.830	-0.830	0.000	0.000	0.000	0.000
867	B	407	LEU	0	-0.021	-0.028	41.413	-0.648	-0.648	0.000	0.000	0.000	0.000
868	B	408	GLY	0	0.039	0.020	44.752	-0.235	-0.235	0.000	0.000	0.000	0.000
869	B	409	HIS	0	-0.029	-0.003	45.791	-0.370	-0.370	0.000	0.000	0.000	0.000
870	B	410	PRO	0	-0.001	-0.012	49.085	-0.094	-0.094	0.000	0.000	0.000	0.000
871	B	411	TRP	0	-0.068	-0.060	52.131	-0.481	-0.481	0.000	0.000	0.000	0.000
872	B	412	GLY	0	0.043	0.037	50.068	-0.248	-0.248	0.000	0.000	0.000	0.000
873	B	413	ASN	0	0.019	0.004	45.533	-0.104	-0.104	0.000	0.000	0.000	0.000
874	B	414	ALA	0	0.051	0.046	48.687	0.140	0.140	0.000	0.000	0.000	0.000
875	B	415	PRO	0	-0.016	-0.030	51.400	-0.021	-0.021	0.000	0.000	0.000	0.000
876	B	416	GLY	0	0.045	0.017	48.533	0.001	0.001	0.000	0.000	0.000	0.000
877	B	417	ALA	0	-0.020	0.001	47.541	0.237	0.237	0.000	0.000	0.000	0.000
878	B	418	ALA	0	0.013	0.019	48.512	0.082	0.082	0.000	0.000	0.000	0.000
879	B	419	ALA	0	-0.040	-0.015	50.133	-0.115	-0.115	0.000	0.000	0.000	0.000
880	B	420	ASN	0	0.000	-0.011	45.630	0.018	0.018	0.000	0.000	0.000	0.000
881	B	421	ARG	1	0.735	0.841	48.095	-23.842	-23.842	0.000	0.000	0.000	0.000
882	B	422	VAL	0	0.005	-0.001	49.788	-0.128	-0.128	0.000	0.000	0.000	0.000
883	B	423	ALA	0	-0.020	-0.007	49.042	-0.142	-0.142	0.000	0.000	0.000	0.000
884	B	424	LEU	0	0.060	0.018	45.506	-0.031	-0.031	0.000	0.000	0.000	0.000
885	B	425	GLU	-1	-0.771	-0.883	48.737	23.033	23.033	0.000	0.000	0.000	0.000
886	B	426	ALA	0	0.003	0.002	51.886	-0.269	-0.269	0.000	0.000	0.000	0.000
887	B	427	CYS	0	-0.057	-0.030	49.320	-0.183	-0.183	0.000	0.000	0.000	0.000
888	B	428	THR	0	-0.004	-0.010	49.281	0.151	0.151	0.000	0.000	0.000	0.000
889	B	429	GLN	0	-0.013	-0.008	50.993	-0.301	-0.301	0.000	0.000	0.000	0.000
890	B	430	ALA	0	-0.010	-0.005	53.635	-0.184	-0.184	0.000	0.000	0.000	0.000
891	B	431	ARG	1	0.815	0.874	47.068	-25.407	-25.407	0.000	0.000	0.000	0.000
892	B	432	ASN	0	-0.016	-0.013	52.100	0.330	0.330	0.000	0.000	0.000	0.000
893	B	433	GLU	-1	-0.945	-0.978	54.414	20.685	20.685	0.000	0.000	0.000	0.000
894	B	434	GLY	0	-0.021	-0.002	55.466	-0.351	-0.351	0.000	0.000	0.000	0.000
895	B	435	ARG	1	0.819	0.904	55.072	-21.443	-21.443	0.000	0.000	0.000	0.000
896	B	436	ASP	-1	-0.849	-0.929	50.767	24.772	24.772	0.000	0.000	0.000	0.000
897	B	437	LEU	0	-0.023	-0.021	48.122	-0.134	-0.134	0.000	0.000	0.000	0.000
898	B	438	ALA	0	0.005	0.010	47.692	0.174	0.174	0.000	0.000	0.000	0.000
899	B	439	ARG	1	0.881	0.944	48.819	-23.919	-23.919	0.000	0.000	0.000	0.000
900	B	440	GLU	-1	-0.798	-0.894	52.263	21.539	21.539	0.000	0.000	0.000	0.000
901	B	441	GLY	0	0.051	0.026	50.489	-0.222	-0.222	0.000	0.000	0.000	0.000
902	B	442	GLY	0	-0.006	-0.015	51.518	-0.077	-0.077	0.000	0.000	0.000	0.000
903	B	443	ASP	-1	-0.833	-0.911	53.048	21.279	21.279	0.000	0.000	0.000	0.000
904	B	444	VAL	0	-0.020	0.012	53.320	-0.423	-0.423	0.000	0.000	0.000	0.000
905	B	445	ILE	0	0.045	0.026	50.123	-0.280	-0.280	0.000	0.000	0.000	0.000
906	B	446	ARG	1	0.874	0.910	53.813	-22.336	-22.336	0.000	0.000	0.000	0.000
907	B	447	SER	0	-0.066	-0.042	56.969	-0.510	-0.510	0.000	0.000	0.000	0.000
908	B	448	ALA	0	0.024	0.019	55.231	-0.307	-0.307	0.000	0.000	0.000	0.000
909	B	449	CYS	0	-0.046	-0.032	54.965	-0.082	-0.082	0.000	0.000	0.000	0.000
910	B	450	LYS	1	0.888	0.938	57.494	-20.231	-20.231	0.000	0.000	0.000	0.000
911	B	451	TRP	0	-0.036	0.000	57.259	-0.278	-0.278	0.000	0.000	0.000	0.000
912	B	452	SER	0	0.017	0.021	56.754	-0.021	-0.021	0.000	0.000	0.000	0.000
913	B	453	PRO	0	0.029	0.000	57.740	0.230	0.230	0.000	0.000	0.000	0.000
914	B	454	GLU	-1	-0.815	-0.900	54.058	21.199	21.199	0.000	0.000	0.000	0.000
915	B	455	LEU	0	0.030	0.016	51.620	0.402	0.402	0.000	0.000	0.000	0.000
916	B	456	ALA	0	0.008	0.006	53.624	0.284	0.284	0.000	0.000	0.000	0.000
917	B	457	ALA	0	-0.029	-0.016	54.661	0.147	0.147	0.000	0.000	0.000	0.000
918	B	458	ALA	0	0.008	0.003	49.627	0.257	0.257	0.000	0.000	0.000	0.000
919	B	459	CYS	0	-0.042	-0.015	50.323	0.449	0.449	0.000	0.000	0.000	0.000
920	B	460	GLU	-1	-0.958	-0.982	52.047	21.904	21.904	0.000	0.000	0.000	0.000
921	B	461	VAL	0	-0.012	0.001	48.472	0.141	0.141	0.000	0.000	0.000	0.000
922	B	462	TRP	0	-0.016	-0.023	45.276	0.253	0.253	0.000	0.000	0.000	0.000
923	B	463	LYS	1	0.906	0.975	47.624	-21.838	-21.838	0.000	0.000	0.000	0.000
924	B	464	GLU	-1	-0.919	-0.969	48.829	23.502	23.502	0.000	0.000	0.000	0.000
925	B	465	ILE	0	-0.066	-0.015	42.721	0.425	0.425	0.000	0.000	0.000	0.000
926	B	466	LYS	1	0.951	0.974	42.616	-25.821	-25.821	0.000	0.000	0.000	0.000
927	B	467	PHE	0	0.004	0.002	37.035	0.247	0.247	0.000	0.000	0.000	0.000
928	B	468	GLU	-1	-0.925	-0.962	37.954	28.562	28.562	0.000	0.000	0.000	0.000
929	B	469	PHE	0	0.024	-0.002	34.518	-0.179	-0.179	0.000	0.000	0.000	0.000
930	B	470	ASP	-1	-0.855	-0.929	32.591	36.062	36.062	0.000	0.000	0.000	0.000
931	B	471	THR	0	-0.032	-0.010	30.649	0.473	0.473	0.000	0.000	0.000	0.000
932	B	472	ILE	0	-0.012	0.001	25.575	-0.218	-0.218	0.000	0.000	0.000	0.000
933	B	473	ASP	-1	-0.800	-0.885	25.538	46.419	46.419	0.000	0.000	0.000	0.000
934	B	474	LYS	1	0.871	0.939	27.063	-37.810	-37.810	0.000	0.000	0.000	0.000
935	B	475	LEU	0	0.019	0.024	27.757	1.986	1.986	0.000	0.000	0.000	0.000
936	I	1	MME	1	0.822	0.902	18.501	-49.719	-49.719	0.000	0.000	0.000	0.000
937	I	2	MET	0	0.015	0.026	20.917	-2.038	-2.038	0.000	0.000	0.000	0.000
938	I	3	VAL	0	0.041	0.013	20.572	2.501	2.501	0.000	0.000	0.000	0.000
939	I	4	TRP	0	0.078	0.040	19.354	-1.723	-1.723	0.000	0.000	0.000	0.000
940	I	5	THR	0	0.019	0.006	21.462	0.038	0.038	0.000	0.000	0.000	0.000
941	I	6	PRO	0	0.018	0.015	23.644	0.691	0.691	0.000	0.000	0.000	0.000
942	I	7	VAL	0	-0.047	-0.025	24.753	-0.876	-0.876	0.000	0.000	0.000	0.000
943	I	8	ASN	0	-0.052	-0.026	28.441	0.042	0.042	0.000	0.000	0.000	0.000
944	I	9	ASN	0	0.011	-0.009	23.251	-1.390	-1.390	0.000	0.000	0.000	0.000
945	I	10	LYS	1	0.917	0.982	24.479	-39.780	-39.780	0.000	0.000	0.000	0.000
946	I	11	MET	0	-0.087	-0.034	21.402	-1.128	-1.128	0.000	0.000	0.000	0.000
947	I	12	PHE	0	-0.022	-0.045	24.249	-1.392	-1.392	0.000	0.000	0.000	0.000
948	I	13	GLU	-1	-0.747	-0.839	20.607	57.033	57.033	0.000	0.000	0.000	0.000
949	I	14	THR	0	-0.017	-0.004	21.481	1.379	1.379	0.000	0.000	0.000	0.000
950	I	15	PHE	0	-0.011	-0.004	21.847	-2.253	-2.253	0.000	0.000	0.000	0.000
951	I	16	SER	0	-0.064	-0.029	22.935	-1.376	-1.376	0.000	0.000	0.000	0.000
952	I	17	TYR	0	0.019	-0.007	18.550	-0.767	-0.767	0.000	0.000	0.000	0.000
953	I	18	LEU	0	-0.019	0.008	21.368	0.266	0.266	0.000	0.000	0.000	0.000
954	I	19	PRO	0	-0.032	-0.035	23.750	-0.969	-0.969	0.000	0.000	0.000	0.000
955	I	20	PRO	0	-0.051	-0.031	27.293	0.326	0.326	0.000	0.000	0.000	0.000
956	I	21	LEU	0	0.033	0.040	27.249	-0.493	-0.493	0.000	0.000	0.000	0.000
957	I	22	THR	0	0.010	-0.002	30.810	-1.072	-1.072	0.000	0.000	0.000	0.000
958	I	23	ASP	-1	-0.871	-0.943	34.058	32.354	32.354	0.000	0.000	0.000	0.000
959	I	24	GLU	-1	-0.991	-0.991	35.428	33.648	33.648	0.000	0.000	0.000	0.000
960	I	25	GLN	0	0.052	0.026	29.173	-0.008	-0.008	0.000	0.000	0.000	0.000
961	I	26	ILE	0	-0.014	-0.012	31.698	0.929	0.929	0.000	0.000	0.000	0.000
962	I	27	ALA	0	-0.017	-0.015	33.386	0.290	0.290	0.000	0.000	0.000	0.000
963	I	28	ALA	0	0.061	0.039	31.800	0.035	0.035	0.000	0.000	0.000	0.000
964	I	29	GLN	0	0.020	0.012	26.948	1.563	1.563	0.000	0.000	0.000	0.000
965	I	30	VAL	0	-0.038	-0.022	31.082	0.233	0.233	0.000	0.000	0.000	0.000
966	I	31	ASP	-1	-0.893	-0.949	34.420	33.951	33.951	0.000	0.000	0.000	0.000
967	I	32	TYR	0	-0.013	0.003	24.518	0.060	0.060	0.000	0.000	0.000	0.000
968	I	33	ILE	0	-0.019	-0.012	30.846	0.497	0.497	0.000	0.000	0.000	0.000
969	I	34	VAL	0	-0.037	-0.019	32.121	-0.280	-0.280	0.000	0.000	0.000	0.000
970	I	35	ALA	0	-0.047	-0.025	32.336	-0.474	-0.474	0.000	0.000	0.000	0.000
971	I	36	ASN	0	-0.061	-0.031	28.217	0.639	0.639	0.000	0.000	0.000	0.000
972	I	37	GLY	0	-0.041	-0.005	31.055	0.176	0.176	0.000	0.000	0.000	0.000
973	I	38	TRP	0	-0.008	-0.001	25.809	-0.271	-0.271	0.000	0.000	0.000	0.000
974	I	39	ILE	0	-0.022	-0.016	32.222	-1.210	-1.210	0.000	0.000	0.000	0.000
975	I	40	PRO	0	0.028	0.020	33.702	0.799	0.799	0.000	0.000	0.000	0.000
976	I	41	CYS	0	-0.028	-0.014	34.815	-1.367	-1.367	0.000	0.000	0.000	0.000
977	I	42	LEU	0	0.004	0.017	35.201	0.747	0.747	0.000	0.000	0.000	0.000
978	I	43	GLU	-1	-0.829	-0.896	32.664	37.799	37.799	0.000	0.000	0.000	0.000
979	I	44	PHE	0	-0.018	-0.029	35.666	0.294	0.294	0.000	0.000	0.000	0.000
980	I	45	ALA	0	0.042	0.024	35.179	-0.215	-0.215	0.000	0.000	0.000	0.000
981	I	46	GLU	-1	-0.910	-0.955	37.280	30.019	30.019	0.000	0.000	0.000	0.000
982	I	47	ALA	0	0.014	-0.017	36.263	0.828	0.828	0.000	0.000	0.000	0.000
983	I	48	ASP	-1	-0.911	-0.951	35.414	32.278	32.278	0.000	0.000	0.000	0.000
984	I	49	LYS	1	0.880	0.940	35.230	-31.825	-31.825	0.000	0.000	0.000	0.000
985	I	50	ALA	0	-0.018	0.012	32.551	0.681	0.681	0.000	0.000	0.000	0.000
986	I	51	TYR	0	-0.027	-0.039	27.660	1.482	1.482	0.000	0.000	0.000	0.000
987	I	52	VAL	0	-0.001	0.010	24.956	-0.969	-0.969	0.000	0.000	0.000	0.000
988	I	53	SER	0	-0.073	-0.063	28.218	0.268	0.268	0.000	0.000	0.000	0.000
989	I	54	ASN	0	0.027	-0.004	27.066	1.291	1.291	0.000	0.000	0.000	0.000
990	I	55	GLU	-1	-0.837	-0.880	30.590	35.128	35.128	0.000	0.000	0.000	0.000
991	I	56	SER	0	-0.042	-0.058	33.820	-1.254	-1.254	0.000	0.000	0.000	0.000
992	I	57	ALA	0	0.004	0.000	30.842	-0.464	-0.464	0.000	0.000	0.000	0.000
993	I	58	ILE	0	-0.047	-0.012	32.841	-0.189	-0.189	0.000	0.000	0.000	0.000
994	I	59	ARG	1	0.896	0.943	35.911	-30.954	-30.954	0.000	0.000	0.000	0.000
995	I	60	PHE	0	-0.059	-0.011	30.466	-0.354	-0.354	0.000	0.000	0.000	0.000
996	I	61	GLY	0	0.056	0.037	33.389	-0.454	-0.454	0.000	0.000	0.000	0.000
997	I	62	SER	0	0.011	-0.003	28.282	0.238	0.238	0.000	0.000	0.000	0.000
998	I	63	VAL	0	-0.029	-0.040	27.826	0.985	0.985	0.000	0.000	0.000	0.000
999	I	64	SER	0	0.043	0.023	26.300	-0.164	-0.164	0.000	0.000	0.000	0.000
1000	I	65	CYS	0	-0.036	0.022	21.618	0.340	0.340	0.000	0.000	0.000	0.000
1001	I	66	LEU	0	-0.023	-0.002	19.454	-0.541	-0.541	0.000	0.000	0.000	0.000
1002	I	67	TYR	0	-0.107	-0.057	23.468	-0.948	-0.948	0.000	0.000	0.000	0.000
1003	I	68	TYR	0	0.046	0.002	21.848	1.244	1.244	0.000	0.000	0.000	0.000
1004	I	69	ASP	-1	-0.771	-0.838	28.184	36.054	36.054	0.000	0.000	0.000	0.000
1005	I	70	ASN	0	-0.005	-0.026	30.075	0.321	0.321	0.000	0.000	0.000	0.000
1006	I	71	ARG	1	0.862	0.938	25.221	-44.302	-44.302	0.000	0.000	0.000	0.000
1007	I	72	TYR	0	-0.005	-0.001	29.684	0.062	0.062	0.000	0.000	0.000	0.000
1008	I	73	TRP	0	-0.028	-0.010	31.311	-0.455	-0.455	0.000	0.000	0.000	0.000
1009	I	74	THR	0	-0.026	-0.008	35.150	-0.519	-0.519	0.000	0.000	0.000	0.000
1010	I	75	MET	0	0.034	0.026	36.991	0.053	0.053	0.000	0.000	0.000	0.000
1011	I	76	TRP	0	-0.030	-0.035	39.205	-1.164	-1.164	0.000	0.000	0.000	0.000
1012	I	77	LYS	1	0.763	0.872	41.264	-27.391	-27.391	0.000	0.000	0.000	0.000
1013	I	78	LEU	0	0.029	0.008	41.052	0.036	0.036	0.000	0.000	0.000	0.000
1014	I	79	PRO	0	0.023	0.002	36.494	-0.013	-0.013	0.000	0.000	0.000	0.000
1015	I	80	MET	0	-0.031	-0.001	38.411	-0.685	-0.685	0.000	0.000	0.000	0.000
1016	I	81	PHE	0	0.030	-0.009	36.764	0.435	0.435	0.000	0.000	0.000	0.000
1017	I	82	GLY	0	-0.011	-0.003	38.962	-0.756	-0.756	0.000	0.000	0.000	0.000
1018	I	83	CYS	0	-0.074	-0.013	39.315	-0.657	-0.657	0.000	0.000	0.000	0.000
1019	I	84	ARG	1	0.991	0.981	38.845	-29.746	-29.746	0.000	0.000	0.000	0.000
1020	I	85	ASP	-1	-0.833	-0.924	40.461	28.477	28.477	0.000	0.000	0.000	0.000
1021	I	86	PRO	0	0.111	0.046	38.682	-0.050	-0.050	0.000	0.000	0.000	0.000
1022	I	87	MET	0	-0.004	-0.007	40.239	0.186	0.186	0.000	0.000	0.000	0.000
1023	I	88	GLN	0	-0.069	-0.038	42.774	-0.186	-0.186	0.000	0.000	0.000	0.000
1024	I	89	VAL	0	0.034	0.018	36.884	-0.253	-0.253	0.000	0.000	0.000	0.000
1025	I	90	LEU	0	0.039	0.017	37.719	-0.066	-0.066	0.000	0.000	0.000	0.000
1026	I	91	ARG	1	0.914	0.956	40.764	-27.609	-27.609	0.000	0.000	0.000	0.000
1027	I	92	GLU	-1	-0.760	-0.859	41.622	27.701	27.701	0.000	0.000	0.000	0.000
1028	I	93	ILE	0	0.040	0.031	36.528	-0.035	-0.035	0.000	0.000	0.000	0.000
1029	I	94	VAL	0	-0.015	0.017	40.317	-0.252	-0.252	0.000	0.000	0.000	0.000
1030	I	95	ALA	0	-0.045	-0.028	43.427	-0.458	-0.458	0.000	0.000	0.000	0.000
1031	I	96	CYS	0	-0.033	-0.003	40.587	-0.158	-0.158	0.000	0.000	0.000	0.000
1032	I	97	THR	0	0.020	-0.020	39.386	-0.375	-0.375	0.000	0.000	0.000	0.000
1033	I	98	LYS	1	0.893	0.955	42.106	-25.315	-25.315	0.000	0.000	0.000	0.000
1034	I	99	ALA	0	-0.049	-0.024	45.549	-0.539	-0.539	0.000	0.000	0.000	0.000
1035	I	100	PHE	0	-0.004	-0.001	42.200	-0.375	-0.375	0.000	0.000	0.000	0.000
1036	I	101	PRO	0	0.015	0.014	41.896	0.773	0.773	0.000	0.000	0.000	0.000
1037	I	102	ASP	-1	-0.965	-0.984	41.562	28.379	28.379	0.000	0.000	0.000	0.000
1038	I	103	ALA	0	-0.028	-0.010	39.038	0.377	0.377	0.000	0.000	0.000	0.000
1039	I	104	TYR	0	-0.011	-0.006	32.116	-0.096	-0.096	0.000	0.000	0.000	0.000
1040	I	105	VAL	0	0.001	-0.004	35.116	-0.380	-0.380	0.000	0.000	0.000	0.000
1041	I	106	ARG	1	0.841	0.913	29.754	-39.472	-39.472	0.000	0.000	0.000	0.000
1042	I	107	LEU	0	-0.007	0.013	32.211	-1.140	-1.140	0.000	0.000	0.000	0.000
1043	I	108	VAL	0	0.018	0.004	30.163	1.495	1.495	0.000	0.000	0.000	0.000
1044	I	109	ALA	0	0.015	0.001	29.915	-1.434	-1.434	0.000	0.000	0.000	0.000
1045	I	110	PHE	0	-0.016	-0.009	29.143	1.504	1.504	0.000	0.000	0.000	0.000
1046	I	111	ASP	-1	-0.792	-0.894	26.508	42.741	42.741	0.000	0.000	0.000	0.000
1047	I	112	ASN	0	-0.028	-0.039	29.110	0.799	0.799	0.000	0.000	0.000	0.000
1048	I	113	GLN	0	-0.017	0.002	28.331	-1.426	-1.426	0.000	0.000	0.000	0.000
1049	I	114	LYS	1	0.902	0.948	20.361	-53.772	-53.772	0.000	0.000	0.000	0.000
1050	I	115	GLN	0	-0.046	-0.008	26.067	0.503	0.503	0.000	0.000	0.000	0.000
1051	I	116	VAL	0	0.023	0.009	23.337	0.865	0.865	0.000	0.000	0.000	0.000
1052	I	117	GLN	0	-0.004	-0.002	26.609	-0.506	-0.506	0.000	0.000	0.000	0.000
1053	I	118	ILE	0	-0.018	-0.009	23.789	2.141	2.141	0.000	0.000	0.000	0.000
1054	I	119	MET	0	-0.015	-0.021	24.441	1.564	1.564	0.000	0.000	0.000	0.000
1055	I	120	GLY	0	0.063	0.026	26.346	-1.637	-1.637	0.000	0.000	0.000	0.000
1056	I	121	PHE	0	-0.010	0.003	26.150	1.611	1.611	0.000	0.000	0.000	0.000
1057	I	122	LEU	0	-0.041	-0.018	28.082	-1.547	-1.547	0.000	0.000	0.000	0.000
1058	I	123	VAL	0	-0.021	-0.019	30.377	0.117	0.117	0.000	0.000	0.000	0.000
1059	I	124	GLN	0	-0.045	-0.029	33.631	-1.266	-1.266	0.000	0.000	0.000	0.000
1060	I	125	ARG	1	0.953	0.990	28.734	-38.048	-38.048	0.000	0.000	0.000	0.000
1061	I	126	PRO	0	0.055	0.041	35.206	-0.626	-0.626	0.000	0.000	0.000	0.000
1062	I	127	LYS	1	0.980	0.971	37.390	-27.522	-27.522	0.000	0.000	0.000	0.000
1063	I	128	THR	0	-0.025	-0.010	39.626	0.051	0.051	0.000	0.000	0.000	0.000
1064	I	129	ALA	0	-0.005	0.017	34.342	0.024	0.024	0.000	0.000	0.000	0.000
1065	I	130	ARG	1	0.939	0.946	35.268	-30.443	-30.443	0.000	0.000	0.000	0.000
1066	I	131	ASP	-1	-0.823	-0.905	31.033	37.905	37.905	0.000	0.000	0.000	0.000
1067	I	132	PHE	0	-0.005	0.008	28.754	1.450	1.450	0.000	0.000	0.000	0.000
1068	I	133	GLN	0	0.002	-0.007	27.087	-1.830	-1.830	0.000	0.000	0.000	0.000
1069	I	134	PRO	0	-0.014	-0.002	28.266	0.670	0.670	0.000	0.000	0.000	0.000
1070	I	135	ALA	0	0.058	0.015	25.791	0.598	0.598	0.000	0.000	0.000	0.000
1071	I	136	ASN	0	-0.022	-0.016	25.680	1.189	1.189	0.000	0.000	0.000	0.000
1072	I	137	LYS	1	0.929	0.964	27.996	-36.566	-36.566	0.000	0.000	0.000	0.000
1073	I	138	ARG	1	0.874	0.971	23.012	-47.748	-47.748	0.000	0.000	0.000	0.000
1074	I	139	SER	0	-0.030	-0.031	22.126	0.675	0.675	0.000	0.000	0.000	0.000
1075	I	140	VAL	0	-0.028	0.002	24.194	-1.730	-1.730	0.000	0.000	0.000	0.000
1076	J	1	MME	1	0.840	0.911	55.523	-20.395	-20.395	0.000	0.000	0.000	0.000
1077	J	2	MET	0	0.012	0.024	58.439	-0.343	-0.343	0.000	0.000	0.000	0.000
1078	J	3	VAL	0	0.044	0.016	57.705	0.406	0.406	0.000	0.000	0.000	0.000
1079	J	4	TRP	0	0.076	0.038	55.338	-0.412	-0.412	0.000	0.000	0.000	0.000
1080	J	5	THR	0	0.015	0.003	57.538	0.137	0.137	0.000	0.000	0.000	0.000
1081	J	6	PRO	0	0.017	0.017	57.180	0.142	0.142	0.000	0.000	0.000	0.000
1082	J	7	VAL	0	-0.044	-0.023	58.605	-0.018	-0.018	0.000	0.000	0.000	0.000
1083	J	8	ASN	0	-0.052	-0.027	62.097	0.023	0.023	0.000	0.000	0.000	0.000
1084	J	9	ASN	0	0.010	-0.010	58.434	-0.375	-0.375	0.000	0.000	0.000	0.000
1085	J	10	LYS	1	0.922	0.987	57.732	-20.427	-20.427	0.000	0.000	0.000	0.000
1086	J	11	MET	0	-0.080	-0.030	54.789	-0.385	-0.385	0.000	0.000	0.000	0.000
1087	J	12	PHE	0	-0.029	-0.048	56.207	-0.149	-0.149	0.000	0.000	0.000	0.000
1088	J	13	GLU	-1	-0.749	-0.839	49.906	24.645	24.645	0.000	0.000	0.000	0.000
1089	J	14	THR	0	-0.024	-0.006	50.991	-0.147	-0.147	0.000	0.000	0.000	0.000
1090	J	15	PHE	0	-0.011	-0.001	52.978	-0.375	-0.375	0.000	0.000	0.000	0.000
1091	J	16	SER	0	-0.066	-0.030	55.107	-0.449	-0.449	0.000	0.000	0.000	0.000
1092	J	17	TYR	0	0.027	-0.002	53.022	-0.305	-0.305	0.000	0.000	0.000	0.000
1093	J	18	LEU	0	-0.012	0.013	55.341	-0.194	-0.194	0.000	0.000	0.000	0.000
1094	J	19	PRO	0	-0.030	-0.032	58.214	-0.224	-0.224	0.000	0.000	0.000	0.000
1095	J	20	PRO	0	-0.046	-0.028	61.474	0.152	0.152	0.000	0.000	0.000	0.000
1096	J	21	LEU	0	0.033	0.039	59.292	-0.161	-0.161	0.000	0.000	0.000	0.000
1097	J	22	THR	0	0.007	-0.004	63.387	-0.218	-0.218	0.000	0.000	0.000	0.000
1098	J	23	ASP	-1	-0.878	-0.947	65.553	18.164	18.164	0.000	0.000	0.000	0.000
1099	J	24	GLU	-1	-0.988	-0.990	66.200	18.567	18.567	0.000	0.000	0.000	0.000
1100	J	25	GLN	0	0.060	0.028	61.886	0.091	0.091	0.000	0.000	0.000	0.000
1101	J	26	ILE	0	-0.011	-0.010	61.686	0.388	0.388	0.000	0.000	0.000	0.000
1102	J	27	ALA	0	-0.017	-0.014	62.229	0.248	0.248	0.000	0.000	0.000	0.000
1103	J	28	ALA	0	0.067	0.042	60.676	0.183	0.183	0.000	0.000	0.000	0.000
1104	J	29	GLN	0	0.009	0.007	56.194	0.725	0.725	0.000	0.000	0.000	0.000
1105	J	30	VAL	0	-0.044	-0.024	58.005	0.307	0.307	0.000	0.000	0.000	0.000
1106	J	31	ASP	-1	-0.892	-0.950	59.657	20.024	20.024	0.000	0.000	0.000	0.000
1107	J	32	TYR	0	-0.005	0.007	50.028	0.311	0.311	0.000	0.000	0.000	0.000
1108	J	33	ILE	0	-0.024	-0.015	55.133	0.397	0.397	0.000	0.000	0.000	0.000
1109	J	34	VAL	0	-0.035	-0.019	55.779	0.216	0.216	0.000	0.000	0.000	0.000
1110	J	35	ALA	0	-0.048	-0.026	56.229	0.110	0.110	0.000	0.000	0.000	0.000
1111	J	36	ASN	0	-0.059	-0.030	51.079	0.603	0.603	0.000	0.000	0.000	0.000
1112	J	37	GLY	0	-0.048	-0.010	52.245	0.353	0.353	0.000	0.000	0.000	0.000
1113	J	38	TRP	0	-0.006	0.000	48.749	-0.036	-0.036	0.000	0.000	0.000	0.000
1114	J	39	ILE	0	-0.024	-0.017	52.999	-0.501	-0.501	0.000	0.000	0.000	0.000
1115	J	40	PRO	0	0.031	0.023	55.792	0.157	0.157	0.000	0.000	0.000	0.000
1116	J	41	CYS	0	-0.026	-0.014	57.400	-0.208	-0.208	0.000	0.000	0.000	0.000
1117	J	42	LEU	0	-0.002	0.017	59.236	0.043	0.043	0.000	0.000	0.000	0.000
1118	J	43	GLU	-1	-0.823	-0.897	56.044	22.146	22.146	0.000	0.000	0.000	0.000
1119	J	44	PHE	0	-0.016	-0.026	60.592	-0.145	-0.145	0.000	0.000	0.000	0.000
1120	J	45	ALA	0	0.034	0.020	61.228	0.126	0.126	0.000	0.000	0.000	0.000
1121	J	46	GLU	-1	-0.902	-0.952	63.360	18.503	18.503	0.000	0.000	0.000	0.000
1122	J	47	ALA	0	0.004	-0.022	64.126	0.292	0.292	0.000	0.000	0.000	0.000
1123	J	48	ASP	-1	-0.914	-0.952	63.475	19.007	19.007	0.000	0.000	0.000	0.000
1124	J	49	LYS	1	0.886	0.945	60.943	-19.693	-19.693	0.000	0.000	0.000	0.000
1125	J	50	ALA	0	-0.019	0.011	59.894	0.286	0.286	0.000	0.000	0.000	0.000
1126	J	51	TYR	0	-0.009	-0.022	56.871	0.375	0.375	0.000	0.000	0.000	0.000
1127	J	52	VAL	0	-0.001	0.011	51.185	-0.098	-0.098	0.000	0.000	0.000	0.000
1128	J	53	SER	0	-0.070	-0.063	54.469	-0.134	-0.134	0.000	0.000	0.000	0.000
1129	J	54	ASN	0	0.028	-0.001	51.831	0.635	0.635	0.000	0.000	0.000	0.000
1130	J	55	GLU	-1	-0.839	-0.880	54.080	21.419	21.419	0.000	0.000	0.000	0.000
1131	J	56	SER	0	-0.040	-0.057	54.392	-0.250	-0.250	0.000	0.000	0.000	0.000
1132	J	57	ALA	0	-0.004	-0.004	51.179	0.134	0.134	0.000	0.000	0.000	0.000
1133	J	58	ILE	0	-0.044	-0.011	52.657	0.188	0.188	0.000	0.000	0.000	0.000
1134	J	59	ARG	1	0.896	0.942	54.550	-21.827	-21.827	0.000	0.000	0.000	0.000
1135	J	60	PHE	0	-0.061	-0.013	49.051	0.183	0.183	0.000	0.000	0.000	0.000
1136	J	61	GLY	0	0.061	0.040	47.605	-0.173	-0.173	0.000	0.000	0.000	0.000
1137	J	62	SER	0	0.016	-0.001	43.527	-0.323	-0.323	0.000	0.000	0.000	0.000
1138	J	63	VAL	0	-0.033	-0.042	43.147	0.793	0.793	0.000	0.000	0.000	0.000
1139	J	64	SER	0	0.042	0.021	44.935	-0.053	-0.053	0.000	0.000	0.000	0.000
1140	J	65	CYS	0	-0.041	0.024	41.335	-0.191	-0.191	0.000	0.000	0.000	0.000
1141	J	66	LEU	0	-0.022	0.002	40.478	0.033	0.033	0.000	0.000	0.000	0.000
1142	J	67	TYR	0	-0.111	-0.064	44.519	-0.086	-0.086	0.000	0.000	0.000	0.000
1143	J	68	TYR	0	0.048	0.004	46.062	0.092	0.092	0.000	0.000	0.000	0.000
1144	J	69	ASP	-1	-0.777	-0.833	50.956	22.593	22.593	0.000	0.000	0.000	0.000
1145	J	70	ASN	0	-0.003	-0.026	54.424	-0.004	-0.004	0.000	0.000	0.000	0.000
1146	J	71	ARG	1	0.862	0.933	46.768	-25.342	-25.342	0.000	0.000	0.000	0.000
1147	J	72	TYR	0	-0.003	0.000	50.634	-0.053	-0.053	0.000	0.000	0.000	0.000
1148	J	73	TRP	0	-0.023	-0.009	55.287	-0.385	-0.385	0.000	0.000	0.000	0.000
1149	J	74	THR	0	-0.019	-0.003	58.695	0.117	0.117	0.000	0.000	0.000	0.000
1150	J	75	MET	0	0.023	0.021	57.278	-0.091	-0.091	0.000	0.000	0.000	0.000
1151	J	76	TRP	0	-0.031	-0.037	61.132	-0.459	-0.459	0.000	0.000	0.000	0.000
1152	J	77	LYS	1	0.771	0.873	63.402	-18.045	-18.045	0.000	0.000	0.000	0.000
1153	J	78	LEU	0	0.032	0.009	60.508	0.164	0.164	0.000	0.000	0.000	0.000
1154	J	79	PRO	0	0.025	0.006	56.862	-0.176	-0.176	0.000	0.000	0.000	0.000
1155	J	80	MET	0	-0.035	-0.001	59.286	-0.156	-0.156	0.000	0.000	0.000	0.000
1156	J	81	PHE	0	0.030	-0.008	55.200	0.156	0.156	0.000	0.000	0.000	0.000
1157	J	82	GLY	0	-0.005	-0.001	58.295	-0.305	-0.305	0.000	0.000	0.000	0.000
1158	J	83	CYS	0	-0.068	-0.013	59.933	-0.350	-0.350	0.000	0.000	0.000	0.000
1159	J	84	ARG	1	0.979	0.978	58.867	-20.552	-20.552	0.000	0.000	0.000	0.000
1160	J	85	ASP	-1	-0.843	-0.929	62.222	18.387	18.387	0.000	0.000	0.000	0.000
1161	J	86	PRO	0	0.112	0.045	63.042	-0.028	-0.028	0.000	0.000	0.000	0.000
1162	J	87	MET	0	0.001	-0.006	64.719	-0.073	-0.073	0.000	0.000	0.000	0.000
1163	J	88	GLN	0	-0.065	-0.034	65.867	-0.049	-0.049	0.000	0.000	0.000	0.000
1164	J	89	VAL	0	0.037	0.019	61.858	-0.104	-0.104	0.000	0.000	0.000	0.000
1165	J	90	LEU	0	0.038	0.017	64.960	-0.100	-0.100	0.000	0.000	0.000	0.000
1166	J	91	ARG	1	0.915	0.956	67.389	-17.931	-17.931	0.000	0.000	0.000	0.000
1167	J	92	GLU	-1	-0.773	-0.862	66.070	18.104	18.104	0.000	0.000	0.000	0.000
1168	J	93	ILE	0	0.040	0.028	63.720	-0.037	-0.037	0.000	0.000	0.000	0.000
1169	J	94	VAL	0	0.002	0.024	67.275	-0.161	-0.161	0.000	0.000	0.000	0.000
1170	J	95	ALA	0	-0.049	-0.030	70.346	-0.210	-0.210	0.000	0.000	0.000	0.000
1171	J	96	CYS	0	-0.037	-0.004	66.531	-0.078	-0.078	0.000	0.000	0.000	0.000
1172	J	97	THR	0	0.017	-0.022	67.980	-0.163	-0.163	0.000	0.000	0.000	0.000
1173	J	98	LYS	1	0.895	0.957	70.222	-16.378	-16.378	0.000	0.000	0.000	0.000
1174	J	99	ALA	0	-0.055	-0.026	71.300	-0.226	-0.226	0.000	0.000	0.000	0.000
1175	J	100	PHE	0	-0.004	-0.002	69.057	-0.096	-0.096	0.000	0.000	0.000	0.000
1176	J	101	PRO	0	0.016	0.016	70.127	0.215	0.215	0.000	0.000	0.000	0.000
1177	J	102	ASP	-1	-0.965	-0.986	71.275	17.021	17.021	0.000	0.000	0.000	0.000
1178	J	103	ALA	0	-0.030	-0.010	66.405	0.149	0.149	0.000	0.000	0.000	0.000
1179	J	104	TYR	0	0.014	0.001	62.413	-0.092	-0.092	0.000	0.000	0.000	0.000
1180	J	105	VAL	0	-0.007	-0.004	63.248	0.053	0.053	0.000	0.000	0.000	0.000
1181	J	106	ARG	1	0.834	0.912	55.351	-22.054	-22.054	0.000	0.000	0.000	0.000
1182	J	107	LEU	0	-0.001	0.013	58.802	-0.134	-0.134	0.000	0.000	0.000	0.000
1183	J	108	VAL	0	0.011	0.002	54.462	0.292	0.292	0.000	0.000	0.000	0.000
1184	J	109	ALA	0	0.024	0.004	53.784	-0.364	-0.364	0.000	0.000	0.000	0.000
1185	J	110	PHE	0	-0.014	-0.008	50.951	0.416	0.416	0.000	0.000	0.000	0.000
1186	J	111	ASP	-1	-0.795	-0.894	46.586	25.987	25.987	0.000	0.000	0.000	0.000
1187	J	112	ASN	0	-0.021	-0.037	48.202	0.284	0.284	0.000	0.000	0.000	0.000
1188	J	113	GLN	0	-0.023	0.001	44.663	-0.105	-0.105	0.000	0.000	0.000	0.000
1189	J	114	LYS	1	0.892	0.934	41.676	-27.933	-27.933	0.000	0.000	0.000	0.000
1190	J	115	GLN	0	-0.059	-0.020	43.496	-0.117	-0.117	0.000	0.000	0.000	0.000
1191	J	116	VAL	0	0.037	0.017	44.456	0.338	0.338	0.000	0.000	0.000	0.000
1192	J	117	GLN	0	-0.003	0.000	46.792	-0.509	-0.509	0.000	0.000	0.000	0.000
1193	J	118	ILE	0	-0.018	-0.008	46.567	0.488	0.488	0.000	0.000	0.000	0.000
1194	J	119	MET	0	-0.016	-0.020	48.963	-0.013	-0.013	0.000	0.000	0.000	0.000
1195	J	120	GLY	0	0.062	0.026	51.802	-0.180	-0.180	0.000	0.000	0.000	0.000
1196	J	121	PHE	0	-0.009	0.003	54.356	0.173	0.173	0.000	0.000	0.000	0.000
1197	J	122	LEU	0	-0.038	-0.017	57.093	-0.270	-0.270	0.000	0.000	0.000	0.000
1198	J	123	VAL	0	-0.022	-0.019	60.176	-0.083	-0.083	0.000	0.000	0.000	0.000
1199	J	124	GLN	0	-0.033	-0.022	63.574	-0.511	-0.511	0.000	0.000	0.000	0.000
1200	J	125	ARG	1	0.950	0.990	61.376	-19.313	-19.313	0.000	0.000	0.000	0.000
1201	J	126	PRO	0	0.053	0.039	66.113	-0.277	-0.277	0.000	0.000	0.000	0.000
1202	J	127	LYS	1	0.983	0.975	69.122	-16.552	-16.552	0.000	0.000	0.000	0.000
1203	J	128	THR	0	-0.034	-0.014	71.524	-0.073	-0.073	0.000	0.000	0.000	0.000
1204	J	129	ALA	0	0.000	0.017	66.211	-0.009	-0.009	0.000	0.000	0.000	0.000
1205	J	130	ARG	1	0.922	0.939	67.602	-17.170	-17.170	0.000	0.000	0.000	0.000
1206	J	131	ASP	-1	-0.846	-0.923	62.650	19.483	19.483	0.000	0.000	0.000	0.000
1207	J	132	PHE	0	-0.005	0.005	62.347	0.353	0.353	0.000	0.000	0.000	0.000
1208	J	133	GLN	0	0.006	-0.002	62.339	-0.558	-0.558	0.000	0.000	0.000	0.000
1209	J	134	PRO	0	-0.013	-0.002	63.235	0.199	0.199	0.000	0.000	0.000	0.000
1210	J	135	ALA	0	0.061	0.018	61.866	0.078	0.078	0.000	0.000	0.000	0.000
1211	J	136	ASN	0	-0.029	-0.019	62.215	0.228	0.228	0.000	0.000	0.000	0.000
1212	J	137	LYS	1	0.926	0.963	64.647	-18.160	-18.160	0.000	0.000	0.000	0.000
1213	J	138	ARG	1	0.872	0.967	58.729	-20.743	-20.743	0.000	0.000	0.000	0.000
1214	J	139	SER	0	-0.026	-0.028	58.999	0.171	0.171	0.000	0.000	0.000	0.000
1215	J	140	VAL	0	-0.038	-0.001	60.966	-0.365	-0.365	0.000	0.000	0.000	0.000
1217	B	1477	CAP	-4	-3.219	-3.573	28.222	141.456	141.456	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1216(A:1477:CAP)