FMO DATABASE

FMODB ID: J3QV9

Calculation Name: 3KDN-AH-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 3KDN

Chain ID: AH

ChEMBL ID:

UniProt ID: O93627

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	879
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-26645305.141725
FMO2-HF: Nuclear repulsion	26300529.44823
FMO2-HF: Total energy	-344775.693496
FMO2-MP2: Total energy	-345790.867655

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.
-459.385	-468.945	197.439	-98.282	-89.595	-0.733

Interactive mode: IFIE and PIEDA for fragment #878(A:600:CAP)

Summations of interaction energy for fragment #878(A:600: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.
-459.385	-468.945	197.439	-98.282	-89.595	0.733

Interaction energy analysis for fragmet #878(A:600:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.193 / q_NPA : -3.629

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].
154	A	161	VAL	0	0.048	0.021	2.253	-11.640	-9.943	1.061	-0.941	-1.818	0.000
155	A	162	PRO	0	-0.045	-0.018	4.720	14.256	14.369	-0.001	-0.005	-0.105	0.000
156	A	163	LYS	1	0.815	0.905	2.060	-227.802	-225.083	8.222	-4.713	-6.228	0.065
158	A	165	LYS	1	0.738	0.863	4.455	-157.956	-157.643	-0.001	-0.077	-0.235	0.000
182	A	189	KCX	-1	-0.455	-0.774	1.544	166.941	152.655	38.100	-14.386	-9.428	-0.127
184	A	191	ASP	0	0.217	0.057	4.169	5.664	5.846	-0.001	-0.042	-0.139	0.000
185	A	192	GLU	0	0.183	-0.026	3.936	-14.733	-14.356	-0.001	-0.103	-0.273	0.000
275	A	281	HIS	0	0.556	0.476	1.961	0.122	-0.473	7.554	-2.790	-4.169	0.012
276	A	282	ARG	1	0.725	0.823	1.752	-284.911	-287.253	28.121	-15.411	-10.368	0.204
277	A	283	ALA	0	0.036	0.011	5.112	-2.439	-2.358	-0.001	-0.012	-0.068	0.000
279	A	285	HIS	1	0.890	0.942	3.189	-184.075	-181.163	0.077	-1.601	-1.388	0.016
308	A	314	HIS	0	0.024	0.032	1.865	-58.062	-55.479	11.851	-7.407	-7.027	0.091
309	A	315	VAL	0	0.023	0.003	4.690	-4.627	-4.432	-0.001	-0.023	-0.170	0.000
310	A	316	GLY	0	0.066	0.020	4.022	-1.088	-0.688	0.003	-0.147	-0.257	0.001
311	A	317	THR	0	0.031	0.069	5.054	-15.341	-15.199	-0.001	-0.010	-0.131	0.000
316	A	322	LYS	1	0.788	0.888	1.739	-284.501	-287.053	15.416	-7.630	-5.234	0.096
317	A	323	LEU	0	-0.019	-0.017	2.538	-20.625	-19.245	4.910	-2.433	-3.857	0.024
318	A	324	GLU	-1	-0.986	-0.995	5.609	96.403	96.482	-0.001	-0.001	-0.077	0.000
319	A	325	GLY	0	0.047	0.014	5.580	15.285	15.393	-0.001	-0.003	-0.104	0.000
360	A	366	SER	0	-0.061	-0.091	5.037	15.284	15.471	-0.001	-0.006	-0.179	0.000
361	A	367	SER	0	0.042	-0.015	1.631	-31.940	-38.731	23.433	-9.797	-6.846	0.047
362	A	368	GLY	0	0.066	0.045	2.324	1.410	5.366	5.134	-4.537	-4.553	0.027
363	A	369	GLY	0	-0.052	-0.025	1.919	-49.890	-52.331	7.703	-1.421	-3.840	0.058
364	A	370	LEU	0	-0.008	0.003	3.866	-34.066	-33.101	0.016	-0.475	-0.506	0.004
365	A	371	HIS	0	-0.004	-0.025	5.194	3.613	3.746	-0.001	-0.005	-0.127	0.000
383	A	389	GLN	0	0.038	-0.009	1.871	-27.964	-34.937	21.113	-8.405	-5.735	0.023
384	A	390	LEU	0	-0.063	-0.035	3.544	17.727	18.720	0.027	-0.334	-0.687	0.001
385	A	391	GLY	0	0.130	0.083	2.181	-31.308	-29.008	2.835	-2.707	-2.428	0.040
386	A	392	GLY	0	0.040	0.015	2.119	-48.936	-46.594	3.508	-2.834	-3.015	0.047
387	A	393	GLY	0	-0.053	-0.022	3.857	-30.947	-30.277	0.017	-0.336	-0.351	0.003
486	H	54	THR	0	-0.040	-0.031	1.750	-11.531	-14.842	12.615	-5.753	-3.551	0.069
487	H	55	TRP	0	0.013	-0.003	2.722	-54.282	-50.720	1.295	-2.152	-2.705	0.026
543	H	111	ASN	0	0.126	-0.006	2.245	-8.960	-7.708	4.440	-1.782	-3.910	0.006
544	H	112	ILE	0	-0.023	0.008	5.229	4.086	4.176	-0.001	-0.003	-0.086	0.000
1	A	8	ILE	0	-0.042	-0.020	40.839	0.029	0.029	0.000	0.000	0.000	0.000
2	A	9	TYR	0	0.038	-0.001	35.262	-0.115	-0.115	0.000	0.000	0.000	0.000
3	A	10	ASP	-1	-0.914	-0.968	37.504	29.662	29.662	0.000	0.000	0.000	0.000
4	A	11	TYR	0	-0.040	-0.013	39.222	-0.150	-0.150	0.000	0.000	0.000	0.000
5	A	12	TYR	0	-0.002	-0.004	34.647	-0.297	-0.297	0.000	0.000	0.000	0.000
6	A	13	VAL	0	-0.028	0.006	35.006	1.122	1.122	0.000	0.000	0.000	0.000
7	A	14	ASP	-1	-0.809	-0.919	36.308	28.740	28.740	0.000	0.000	0.000	0.000
8	A	15	LYS	1	0.824	0.903	36.041	-31.174	-31.174	0.000	0.000	0.000	0.000
9	A	16	GLY	0	-0.026	0.006	37.600	0.044	0.044	0.000	0.000	0.000	0.000
10	A	17	TYR	0	-0.102	-0.039	34.913	-0.409	-0.409	0.000	0.000	0.000	0.000
11	A	18	GLU	-1	-0.935	-0.969	36.407	32.358	32.358	0.000	0.000	0.000	0.000
12	A	19	PRO	0	0.005	0.022	32.080	-0.233	-0.233	0.000	0.000	0.000	0.000
13	A	20	SER	0	-0.002	-0.003	34.229	0.070	0.070	0.000	0.000	0.000	0.000
14	A	21	LYS	1	0.964	0.966	28.164	-38.708	-38.708	0.000	0.000	0.000	0.000
15	A	22	LYS	1	0.812	0.887	31.069	-34.768	-34.768	0.000	0.000	0.000	0.000
16	A	23	ARG	1	0.947	0.961	33.070	-29.801	-29.801	0.000	0.000	0.000	0.000
17	A	24	ASP	-1	-0.746	-0.865	31.372	33.850	33.850	0.000	0.000	0.000	0.000
18	A	25	ILE	0	-0.050	-0.026	25.358	0.855	0.855	0.000	0.000	0.000	0.000
19	A	26	ILE	0	-0.048	-0.017	25.820	-0.805	-0.805	0.000	0.000	0.000	0.000
20	A	27	ALA	0	0.027	0.031	23.321	1.938	1.938	0.000	0.000	0.000	0.000
21	A	28	VAL	0	-0.002	-0.001	22.003	-1.817	-1.817	0.000	0.000	0.000	0.000
22	A	29	PHE	0	0.019	-0.005	21.501	2.740	2.740	0.000	0.000	0.000	0.000
23	A	30	ARG	1	0.896	0.957	19.470	-53.596	-53.596	0.000	0.000	0.000	0.000
24	A	31	VAL	0	-0.015	-0.013	22.488	0.796	0.796	0.000	0.000	0.000	0.000
25	A	32	THR	0	0.020	0.000	24.016	-0.593	-0.593	0.000	0.000	0.000	0.000
26	A	33	PRO	0	0.002	-0.004	26.386	0.265	0.265	0.000	0.000	0.000	0.000
27	A	34	ALA	0	-0.038	-0.004	29.619	0.496	0.496	0.000	0.000	0.000	0.000
28	A	35	GLU	-1	-0.922	-0.966	31.029	33.822	33.822	0.000	0.000	0.000	0.000
29	A	36	GLY	0	-0.015	-0.003	33.807	-0.636	-0.636	0.000	0.000	0.000	0.000
30	A	37	TYR	0	0.024	-0.028	33.753	-0.706	-0.706	0.000	0.000	0.000	0.000
31	A	38	THR	0	-0.043	-0.017	34.337	0.363	0.363	0.000	0.000	0.000	0.000
32	A	39	ILE	0	0.062	0.034	28.787	0.388	0.388	0.000	0.000	0.000	0.000
33	A	40	GLU	-1	-0.805	-0.910	32.368	33.085	33.085	0.000	0.000	0.000	0.000
34	A	41	GLN	0	0.002	0.008	35.051	0.366	0.366	0.000	0.000	0.000	0.000
35	A	42	ALA	0	-0.011	-0.006	30.366	0.085	0.085	0.000	0.000	0.000	0.000
36	A	43	ALA	0	-0.003	-0.006	30.039	0.813	0.813	0.000	0.000	0.000	0.000
37	A	44	GLY	0	0.015	0.013	31.101	0.201	0.201	0.000	0.000	0.000	0.000
38	A	45	ALA	0	0.015	0.001	31.826	-0.024	-0.024	0.000	0.000	0.000	0.000
39	A	46	VAL	0	0.026	0.020	26.410	0.206	0.206	0.000	0.000	0.000	0.000
40	A	47	ALA	0	0.043	0.045	29.191	0.373	0.373	0.000	0.000	0.000	0.000
41	A	48	ALA	0	-0.024	-0.006	31.017	-0.135	-0.135	0.000	0.000	0.000	0.000
42	A	49	GLU	-1	-0.852	-0.963	29.972	34.660	34.660	0.000	0.000	0.000	0.000
43	A	50	SER	0	-0.061	-0.019	27.307	0.443	0.443	0.000	0.000	0.000	0.000
44	A	51	SER	0	0.012	0.001	28.883	0.016	0.016	0.000	0.000	0.000	0.000
45	A	52	THR	0	0.051	0.012	31.968	0.024	0.024	0.000	0.000	0.000	0.000
46	A	53	GLY	0	-0.031	-0.013	34.658	-0.952	-0.952	0.000	0.000	0.000	0.000
47	A	54	THR	0	0.045	0.014	35.531	0.266	0.266	0.000	0.000	0.000	0.000
48	A	55	TRP	0	-0.023	-0.014	36.757	-0.101	-0.101	0.000	0.000	0.000	0.000
49	A	56	THR	0	-0.014	0.010	38.411	-0.697	-0.697	0.000	0.000	0.000	0.000
50	A	57	THR	0	-0.022	-0.030	41.977	0.255	0.255	0.000	0.000	0.000	0.000
51	A	58	LEU	0	0.019	0.015	40.045	-0.327	-0.327	0.000	0.000	0.000	0.000
52	A	59	TYR	0	0.006	-0.002	44.446	-0.623	-0.623	0.000	0.000	0.000	0.000
53	A	60	PRO	0	0.019	0.014	46.519	0.425	0.425	0.000	0.000	0.000	0.000
54	A	61	TRP	0	-0.082	-0.054	42.302	-0.788	-0.788	0.000	0.000	0.000	0.000
55	A	62	TYR	0	0.017	0.024	43.827	0.035	0.035	0.000	0.000	0.000	0.000
56	A	63	GLU	-1	-0.929	-0.961	45.918	24.894	24.894	0.000	0.000	0.000	0.000
57	A	64	GLN	0	-0.039	-0.041	45.037	0.390	0.390	0.000	0.000	0.000	0.000
58	A	65	GLU	-1	-0.930	-0.966	44.627	25.907	25.907	0.000	0.000	0.000	0.000
59	A	66	ARG	1	0.914	0.952	41.031	-26.511	-26.511	0.000	0.000	0.000	0.000
60	A	67	TRP	0	0.000	0.003	39.437	0.467	0.467	0.000	0.000	0.000	0.000
61	A	68	ALA	0	-0.037	-0.026	39.615	0.775	0.775	0.000	0.000	0.000	0.000
62	A	69	ASP	-1	-0.879	-0.917	40.040	29.733	29.733	0.000	0.000	0.000	0.000
63	A	70	LEU	0	-0.012	-0.003	36.005	0.712	0.712	0.000	0.000	0.000	0.000
64	A	71	SER	0	-0.057	-0.013	34.993	0.966	0.966	0.000	0.000	0.000	0.000
65	A	72	ALA	0	-0.008	-0.016	31.348	-0.077	-0.077	0.000	0.000	0.000	0.000
66	A	73	LYS	1	0.858	0.923	32.903	-31.899	-31.899	0.000	0.000	0.000	0.000
67	A	74	ALA	0	0.005	0.009	31.637	0.999	0.999	0.000	0.000	0.000	0.000
68	A	75	TYR	0	0.028	0.002	29.529	-0.700	-0.700	0.000	0.000	0.000	0.000
69	A	76	ASP	-1	-0.847	-0.924	30.167	37.369	37.369	0.000	0.000	0.000	0.000
70	A	77	PHE	0	-0.037	-0.025	30.190	0.820	0.820	0.000	0.000	0.000	0.000
71	A	78	HIS	0	0.057	0.035	26.909	-1.705	-1.705	0.000	0.000	0.000	0.000
72	A	79	ASP	-1	-0.898	-0.973	28.256	38.324	38.324	0.000	0.000	0.000	0.000
73	A	80	MET	0	-0.043	-0.009	22.346	0.165	0.165	0.000	0.000	0.000	0.000
74	A	81	GLY	0	-0.026	0.005	26.658	0.489	0.489	0.000	0.000	0.000	0.000
75	A	82	ASP	-1	-0.780	-0.878	23.858	46.218	46.218	0.000	0.000	0.000	0.000
76	A	83	GLY	0	-0.014	-0.014	26.958	0.365	0.365	0.000	0.000	0.000	0.000
77	A	84	SER	0	-0.095	-0.052	24.100	0.511	0.511	0.000	0.000	0.000	0.000
78	A	85	TRP	0	0.055	0.015	26.236	-0.718	-0.718	0.000	0.000	0.000	0.000
79	A	86	ILE	0	-0.010	0.003	22.017	1.417	1.417	0.000	0.000	0.000	0.000
80	A	87	VAL	0	-0.019	-0.026	25.295	-1.684	-1.684	0.000	0.000	0.000	0.000
81	A	88	ARG	1	0.850	0.948	25.981	-39.173	-39.173	0.000	0.000	0.000	0.000
82	A	89	ILE	0	-0.002	-0.006	27.458	-1.642	-1.642	0.000	0.000	0.000	0.000
83	A	90	ALA	0	-0.057	-0.027	28.488	1.060	1.060	0.000	0.000	0.000	0.000
84	A	91	TYR	0	0.004	0.001	26.956	-0.385	-0.385	0.000	0.000	0.000	0.000
85	A	92	PRO	0	0.084	0.086	30.882	0.803	0.803	0.000	0.000	0.000	0.000
86	A	93	PHE	0	0.016	-0.027	30.721	0.057	0.057	0.000	0.000	0.000	0.000
87	A	94	HIS	0	-0.105	-0.053	31.697	1.162	1.162	0.000	0.000	0.000	0.000
88	A	95	ALA	0	0.040	0.025	32.149	-0.807	-0.807	0.000	0.000	0.000	0.000
89	A	96	PHE	0	-0.025	-0.013	28.261	0.292	0.292	0.000	0.000	0.000	0.000
90	A	97	GLU	-1	-0.756	-0.868	30.195	36.001	36.001	0.000	0.000	0.000	0.000
91	A	98	GLU	-1	-1.008	-1.009	29.301	34.665	34.665	0.000	0.000	0.000	0.000
92	A	99	ALA	0	-0.003	-0.008	26.515	0.065	0.065	0.000	0.000	0.000	0.000
93	A	100	ASN	0	0.067	0.050	25.800	1.881	1.881	0.000	0.000	0.000	0.000
94	A	101	LEU	0	0.004	0.003	18.216	0.131	0.131	0.000	0.000	0.000	0.000
95	A	102	PRO	0	0.045	0.021	21.442	0.569	0.569	0.000	0.000	0.000	0.000
96	A	103	GLY	0	0.084	0.031	22.482	-0.088	-0.088	0.000	0.000	0.000	0.000
97	A	104	LEU	0	-0.043	-0.009	23.138	-0.501	-0.501	0.000	0.000	0.000	0.000
98	A	105	LEU	0	-0.037	-0.044	17.920	-0.046	-0.046	0.000	0.000	0.000	0.000
99	A	106	ALA	0	0.025	0.005	21.808	0.385	0.385	0.000	0.000	0.000	0.000
100	A	107	SER	0	-0.076	-0.044	24.289	-1.619	-1.619	0.000	0.000	0.000	0.000
101	A	108	ILE	0	-0.064	-0.024	20.837	-0.360	-0.360	0.000	0.000	0.000	0.000
102	A	109	ALA	0	-0.028	-0.028	19.144	1.167	1.167	0.000	0.000	0.000	0.000
103	A	110	GLY	0	0.095	0.043	20.613	1.627	1.627	0.000	0.000	0.000	0.000
104	A	111	ASN	0	0.110	0.005	23.200	2.256	2.256	0.000	0.000	0.000	0.000
105	A	112	ILE	0	-0.006	0.014	23.077	0.008	0.008	0.000	0.000	0.000	0.000
106	A	113	PHE	0	0.001	0.009	18.996	-0.292	-0.292	0.000	0.000	0.000	0.000
107	A	114	GLY	0	-0.026	-0.037	23.179	0.769	0.769	0.000	0.000	0.000	0.000
108	A	115	MET	0	-0.055	0.018	25.726	-1.875	-1.875	0.000	0.000	0.000	0.000
109	A	116	LYS	1	0.887	0.923	28.381	-33.817	-33.817	0.000	0.000	0.000	0.000
110	A	117	ARG	1	0.850	0.959	30.624	-32.029	-32.029	0.000	0.000	0.000	0.000
111	A	118	VAL	0	-0.066	-0.009	25.755	-0.228	-0.228	0.000	0.000	0.000	0.000
112	A	119	LYS	1	0.950	0.977	25.132	-43.401	-43.401	0.000	0.000	0.000	0.000
113	A	120	GLY	0	-0.024	-0.013	22.602	1.357	1.357	0.000	0.000	0.000	0.000
114	A	121	LEU	0	-0.007	0.000	21.881	-1.352	-1.352	0.000	0.000	0.000	0.000
115	A	122	ARG	1	0.873	0.950	12.451	-69.132	-69.132	0.000	0.000	0.000	0.000
116	A	123	LEU	0	-0.022	0.006	17.810	-1.718	-1.718	0.000	0.000	0.000	0.000
117	A	124	GLU	-1	-0.827	-0.941	16.904	65.021	65.021	0.000	0.000	0.000	0.000
118	A	125	ASP	-1	-0.783	-0.903	17.381	57.508	57.508	0.000	0.000	0.000	0.000
119	A	126	LEU	0	0.023	0.008	19.221	-1.854	-1.854	0.000	0.000	0.000	0.000
120	A	127	TYR	0	-0.146	-0.070	21.044	0.777	0.777	0.000	0.000	0.000	0.000
121	A	128	PHE	0	0.059	0.019	21.171	-1.022	-1.022	0.000	0.000	0.000	0.000
122	A	129	PRO	0	0.049	0.026	24.942	0.051	0.051	0.000	0.000	0.000	0.000
123	A	130	GLU	-1	-0.877	-0.950	27.642	36.428	36.428	0.000	0.000	0.000	0.000
124	A	131	LYS	1	0.919	0.981	28.933	-34.522	-34.522	0.000	0.000	0.000	0.000
125	A	132	LEU	0	0.128	0.056	25.204	-0.084	-0.084	0.000	0.000	0.000	0.000
126	A	133	ILE	0	-0.056	-0.005	23.042	0.827	0.827	0.000	0.000	0.000	0.000
127	A	134	ARG	1	0.825	0.891	25.057	-36.915	-36.915	0.000	0.000	0.000	0.000
128	A	135	GLU	-1	-0.852	-0.910	26.384	38.574	38.574	0.000	0.000	0.000	0.000
129	A	136	PHE	0	-0.051	-0.015	20.607	0.938	0.938	0.000	0.000	0.000	0.000
130	A	137	ASP	-1	-0.857	-0.929	23.015	42.951	42.951	0.000	0.000	0.000	0.000
131	A	138	GLY	0	-0.054	-0.023	19.705	-0.211	-0.211	0.000	0.000	0.000	0.000
132	A	139	PRO	0	-0.051	-0.015	16.846	-0.783	-0.783	0.000	0.000	0.000	0.000
133	A	140	ALA	0	0.056	0.039	19.135	-2.329	-2.329	0.000	0.000	0.000	0.000
134	A	141	PHE	0	-0.084	-0.035	18.817	-2.269	-2.269	0.000	0.000	0.000	0.000
135	A	142	GLY	0	-0.002	-0.018	17.221	-1.766	-1.766	0.000	0.000	0.000	0.000
136	A	143	ILE	0	-0.018	-0.015	15.456	0.220	0.220	0.000	0.000	0.000	0.000
137	A	144	GLU	-1	-0.964	-0.980	17.691	48.650	48.650	0.000	0.000	0.000	0.000
138	A	145	GLY	0	0.002	0.000	20.729	-1.434	-1.434	0.000	0.000	0.000	0.000
139	A	146	VAL	0	0.039	0.017	15.402	-0.533	-0.533	0.000	0.000	0.000	0.000
140	A	147	ARG	1	0.798	0.864	17.345	-62.884	-62.884	0.000	0.000	0.000	0.000
141	A	148	LYS	1	0.922	0.964	20.305	-46.695	-46.695	0.000	0.000	0.000	0.000
142	A	149	MET	0	-0.070	0.001	17.294	-1.549	-1.549	0.000	0.000	0.000	0.000
143	A	150	LEU	0	-0.016	-0.026	15.680	-0.616	-0.616	0.000	0.000	0.000	0.000
144	A	151	GLU	-1	-0.935	-0.969	20.221	44.762	44.762	0.000	0.000	0.000	0.000
145	A	152	ILE	0	-0.058	-0.019	17.469	-0.614	-0.614	0.000	0.000	0.000	0.000
146	A	153	LYS	1	0.901	0.947	20.928	-45.558	-45.558	0.000	0.000	0.000	0.000
147	A	154	ASP	-1	-0.857	-0.922	21.819	49.963	49.963	0.000	0.000	0.000	0.000
148	A	155	ARG	1	0.768	0.850	15.685	-64.765	-64.765	0.000	0.000	0.000	0.000
149	A	156	PRO	0	0.047	0.024	13.902	-0.324	-0.324	0.000	0.000	0.000	0.000
150	A	157	ILE	0	-0.021	0.008	12.643	-1.978	-1.978	0.000	0.000	0.000	0.000
151	A	158	TYR	0	-0.037	-0.049	7.873	2.366	2.366	0.000	0.000	0.000	0.000
152	A	159	GLY	0	0.052	-0.020	9.256	-7.570	-7.570	0.000	0.000	0.000	0.000
153	A	160	VAL	0	-0.066	-0.031	6.633	9.574	9.574	0.000	0.000	0.000	0.000
157	A	164	PRO	0	0.059	0.002	6.665	-6.648	-6.648	0.000	0.000	0.000	0.000
159	A	166	VAL	0	0.038	0.027	7.303	-4.002	-4.002	0.000	0.000	0.000	0.000
160	A	167	GLY	0	0.029	0.002	10.700	0.382	0.382	0.000	0.000	0.000	0.000
161	A	168	TYR	0	-0.077	-0.019	8.649	-6.295	-6.295	0.000	0.000	0.000	0.000
162	A	169	SER	0	0.031	0.009	14.616	1.216	1.216	0.000	0.000	0.000	0.000
163	A	170	PRO	0	0.063	0.024	16.083	3.145	3.145	0.000	0.000	0.000	0.000
164	A	171	GLU	-1	-0.843	-0.930	17.427	51.985	51.985	0.000	0.000	0.000	0.000
165	A	172	GLU	-1	-0.868	-0.932	16.287	61.233	61.233	0.000	0.000	0.000	0.000
166	A	173	PHE	0	-0.011	-0.012	10.931	2.513	2.513	0.000	0.000	0.000	0.000
167	A	174	GLU	-1	-0.890	-0.946	14.925	51.467	51.467	0.000	0.000	0.000	0.000
168	A	175	LYS	1	0.921	0.951	17.702	-54.549	-54.549	0.000	0.000	0.000	0.000
169	A	176	LEU	0	0.017	0.018	10.697	0.235	0.235	0.000	0.000	0.000	0.000
170	A	177	ALA	0	0.030	0.013	13.720	0.923	0.923	0.000	0.000	0.000	0.000
171	A	178	TYR	0	-0.033	-0.061	14.649	-0.983	-0.983	0.000	0.000	0.000	0.000
172	A	179	ASP	-1	-0.907	-0.945	16.421	57.446	57.446	0.000	0.000	0.000	0.000
173	A	180	LEU	0	-0.027	-0.031	10.507	0.479	0.479	0.000	0.000	0.000	0.000
174	A	181	LEU	0	-0.018	-0.009	13.455	-0.184	-0.184	0.000	0.000	0.000	0.000
175	A	182	SER	0	0.020	0.003	16.168	-2.841	-2.841	0.000	0.000	0.000	0.000
176	A	183	ASN	0	-0.127	-0.065	16.151	-1.510	-1.510	0.000	0.000	0.000	0.000
177	A	184	GLY	0	0.032	-0.001	16.043	1.855	1.855	0.000	0.000	0.000	0.000
178	A	185	ALA	0	0.023	0.031	12.294	2.160	2.160	0.000	0.000	0.000	0.000
179	A	186	ASP	-1	-0.747	-0.844	13.227	66.844	66.844	0.000	0.000	0.000	0.000
180	A	187	TYR	0	-0.005	0.036	7.364	-1.011	-1.011	0.000	0.000	0.000	0.000
181	A	188	MET	0	0.003	0.035	9.035	5.530	5.530	0.000	0.000	0.000	0.000
183	A	190	ASP	-1	-0.676	-0.826	6.427	87.922	87.922	0.000	0.000	0.000	0.000
187	A	193	ASN	0	0.002	0.028	5.581	-2.299	-2.299	0.000	0.000	0.000	0.000
188	A	194	LEU	0	-0.104	-0.029	8.300	-7.439	-7.439	0.000	0.000	0.000	0.000
189	A	195	THR	0	0.025	0.017	10.075	-0.312	-0.312	0.000	0.000	0.000	0.000
190	A	196	SER	0	0.047	0.036	12.990	-0.153	-0.153	0.000	0.000	0.000	0.000
191	A	197	PRO	0	0.011	0.034	14.329	-4.262	-4.262	0.000	0.000	0.000	0.000
192	A	198	TRP	0	-0.027	-0.027	17.443	-0.919	-0.919	0.000	0.000	0.000	0.000
193	A	199	TYR	0	-0.073	-0.085	13.382	0.168	0.168	0.000	0.000	0.000	0.000
194	A	200	ASN	0	0.003	-0.019	13.829	-0.262	-0.262	0.000	0.000	0.000	0.000
195	A	201	ARG	1	0.930	0.971	15.851	-49.161	-49.161	0.000	0.000	0.000	0.000
196	A	202	PHE	0	0.085	0.014	13.794	0.449	0.449	0.000	0.000	0.000	0.000
197	A	203	GLU	-1	-0.890	-0.952	17.008	46.706	46.706	0.000	0.000	0.000	0.000
198	A	204	GLU	-1	-0.912	-0.961	19.485	49.661	49.661	0.000	0.000	0.000	0.000
199	A	205	ARG	1	0.752	0.857	11.960	-74.196	-74.196	0.000	0.000	0.000	0.000
200	A	206	ALA	0	0.011	-0.002	16.690	1.108	1.108	0.000	0.000	0.000	0.000
201	A	207	GLU	-1	-0.876	-0.936	18.138	45.034	45.034	0.000	0.000	0.000	0.000
202	A	208	ILE	0	-0.083	-0.030	17.693	-0.710	-0.710	0.000	0.000	0.000	0.000
203	A	209	MET	0	-0.036	-0.017	13.665	0.112	0.112	0.000	0.000	0.000	0.000
204	A	210	ALA	0	0.061	0.041	17.479	0.018	0.018	0.000	0.000	0.000	0.000
205	A	211	LYS	1	0.949	0.986	20.637	-46.974	-46.974	0.000	0.000	0.000	0.000
206	A	212	ILE	0	-0.065	-0.039	17.169	-0.960	-0.960	0.000	0.000	0.000	0.000
207	A	213	ILE	0	-0.026	-0.006	16.384	-0.110	-0.110	0.000	0.000	0.000	0.000
208	A	214	ASP	-1	-0.852	-0.911	19.864	45.316	45.316	0.000	0.000	0.000	0.000
209	A	215	LYS	1	0.750	0.875	22.913	-47.431	-47.431	0.000	0.000	0.000	0.000
210	A	216	VAL	0	0.023	-0.009	19.049	-0.914	-0.914	0.000	0.000	0.000	0.000
211	A	217	GLU	-1	-0.854	-0.906	20.948	50.813	50.813	0.000	0.000	0.000	0.000
212	A	218	ASN	0	-0.118	-0.047	23.280	-2.077	-2.077	0.000	0.000	0.000	0.000
213	A	219	GLU	-1	-0.818	-0.854	24.818	43.953	43.953	0.000	0.000	0.000	0.000
214	A	220	THR	0	-0.101	-0.054	22.013	-0.466	-0.466	0.000	0.000	0.000	0.000
215	A	221	GLY	0	-0.021	-0.004	25.190	-0.713	-0.713	0.000	0.000	0.000	0.000
216	A	222	GLU	-1	-1.008	-0.997	21.081	53.466	53.466	0.000	0.000	0.000	0.000
217	A	223	LYS	1	0.919	0.964	20.757	-46.061	-46.061	0.000	0.000	0.000	0.000
218	A	224	LYS	1	0.817	0.901	16.602	-59.957	-59.957	0.000	0.000	0.000	0.000
219	A	225	THR	0	0.004	-0.009	13.445	-3.587	-3.587	0.000	0.000	0.000	0.000
220	A	226	TRP	0	0.001	-0.011	10.781	1.089	1.089	0.000	0.000	0.000	0.000
221	A	227	PHE	0	-0.061	-0.034	7.941	-1.694	-1.694	0.000	0.000	0.000	0.000
222	A	228	ALA	0	0.077	0.051	9.755	5.354	5.354	0.000	0.000	0.000	0.000
223	A	229	ASN	0	-0.008	-0.001	8.648	-3.259	-3.259	0.000	0.000	0.000	0.000
224	A	230	ILE	0	0.013	0.004	10.585	-2.857	-2.857	0.000	0.000	0.000	0.000
225	A	231	THR	0	-0.051	-0.034	9.786	-3.894	-3.894	0.000	0.000	0.000	0.000
226	A	232	ALA	0	-0.013	-0.029	12.774	0.148	0.148	0.000	0.000	0.000	0.000
227	A	233	ASP	-1	-0.885	-0.933	16.067	53.726	53.726	0.000	0.000	0.000	0.000
228	A	234	LEU	0	0.008	-0.003	19.458	0.548	0.548	0.000	0.000	0.000	0.000
229	A	235	LEU	0	0.050	0.026	21.008	0.326	0.326	0.000	0.000	0.000	0.000
230	A	236	GLU	-1	-0.878	-0.943	19.262	48.756	48.756	0.000	0.000	0.000	0.000
231	A	237	MET	0	-0.115	-0.043	16.010	2.518	2.518	0.000	0.000	0.000	0.000
232	A	238	GLU	-1	-0.805	-0.854	18.400	44.987	44.987	0.000	0.000	0.000	0.000
233	A	239	GLN	0	0.010	0.004	21.625	0.751	0.751	0.000	0.000	0.000	0.000
234	A	240	ARG	1	0.802	0.882	15.747	-58.432	-58.432	0.000	0.000	0.000	0.000
235	A	241	LEU	0	-0.013	-0.023	16.850	1.438	1.438	0.000	0.000	0.000	0.000
236	A	242	GLU	-1	-0.926	-0.949	19.435	41.530	41.530	0.000	0.000	0.000	0.000
237	A	243	VAL	0	0.010	0.014	20.223	-0.225	-0.225	0.000	0.000	0.000	0.000
238	A	244	LEU	0	-0.092	-0.052	15.583	0.382	0.382	0.000	0.000	0.000	0.000
239	A	245	ALA	0	0.007	0.007	20.000	-0.487	-0.487	0.000	0.000	0.000	0.000
240	A	246	ASP	-1	-0.915	-0.950	23.005	40.948	40.948	0.000	0.000	0.000	0.000
241	A	247	LEU	0	-0.104	-0.052	20.958	-0.865	-0.865	0.000	0.000	0.000	0.000
242	A	248	GLY	0	-0.037	-0.002	23.621	-0.048	-0.048	0.000	0.000	0.000	0.000
243	A	249	LEU	0	-0.074	-0.030	17.406	1.776	1.776	0.000	0.000	0.000	0.000
244	A	250	LYS	1	0.969	0.951	18.031	-55.418	-55.418	0.000	0.000	0.000	0.000
245	A	251	HIS	0	-0.077	-0.045	13.115	2.513	2.513	0.000	0.000	0.000	0.000
246	A	252	ALA	0	0.079	0.059	13.860	-0.742	-0.742	0.000	0.000	0.000	0.000
247	A	253	MET	0	-0.083	-0.032	5.039	2.969	2.969	0.000	0.000	0.000	0.000
248	A	254	VAL	0	0.051	0.025	9.861	-3.326	-3.326	0.000	0.000	0.000	0.000
249	A	255	ASP	-1	-0.782	-0.906	7.477	112.158	112.158	0.000	0.000	0.000	0.000
250	A	256	VAL	0	-0.048	-0.023	8.414	-6.065	-6.065	0.000	0.000	0.000	0.000
251	A	257	VAL	0	-0.064	-0.027	7.753	-5.033	-5.033	0.000	0.000	0.000	0.000
252	A	258	ILE	0	-0.030	0.003	9.580	-5.213	-5.213	0.000	0.000	0.000	0.000
253	A	259	THR	0	-0.004	-0.011	12.281	-5.955	-5.955	0.000	0.000	0.000	0.000
254	A	260	GLY	0	0.034	0.008	13.834	-4.145	-4.145	0.000	0.000	0.000	0.000
255	A	261	TRP	0	-0.027	-0.037	13.764	0.797	0.797	0.000	0.000	0.000	0.000
256	A	262	GLY	0	0.029	0.025	17.637	-1.416	-1.416	0.000	0.000	0.000	0.000
257	A	263	ALA	0	0.038	0.020	19.204	-1.871	-1.871	0.000	0.000	0.000	0.000
258	A	264	LEU	0	-0.036	-0.016	13.503	0.526	0.526	0.000	0.000	0.000	0.000
259	A	265	ARG	1	0.919	0.954	17.716	-45.055	-45.055	0.000	0.000	0.000	0.000
260	A	266	TYR	0	-0.011	-0.049	20.512	-0.240	-0.240	0.000	0.000	0.000	0.000
261	A	267	ILE	0	0.024	0.012	16.198	-0.009	-0.009	0.000	0.000	0.000	0.000
262	A	268	ARG	1	0.813	0.898	17.892	-50.692	-50.692	0.000	0.000	0.000	0.000
263	A	269	ASP	-1	-0.878	-0.959	19.318	46.822	46.822	0.000	0.000	0.000	0.000
264	A	270	LEU	0	0.037	0.044	21.262	-0.688	-0.688	0.000	0.000	0.000	0.000
265	A	271	ALA	0	-0.009	-0.017	18.163	-0.518	-0.518	0.000	0.000	0.000	0.000
266	A	272	ALA	0	-0.056	-0.034	20.163	-0.491	-0.491	0.000	0.000	0.000	0.000
267	A	273	ASP	-1	-0.935	-0.961	22.421	41.852	41.852	0.000	0.000	0.000	0.000
268	A	274	TYR	0	-0.037	-0.025	21.641	-1.086	-1.086	0.000	0.000	0.000	0.000
269	A	275	GLY	0	-0.069	-0.019	23.051	-0.308	-0.308	0.000	0.000	0.000	0.000
270	A	276	LEU	0	-0.050	-0.025	17.675	1.384	1.384	0.000	0.000	0.000	0.000
271	A	277	ALA	0	-0.038	-0.015	16.188	0.503	0.503	0.000	0.000	0.000	0.000
272	A	278	ILE	0	0.026	0.002	12.868	2.832	2.832	0.000	0.000	0.000	0.000
273	A	279	HIS	1	0.762	0.858	5.578	-114.242	-114.242	0.000	0.000	0.000	0.000
274	A	280	GLY	0	0.040	0.004	9.159	-1.354	-1.354	0.000	0.000	0.000	0.000
278	A	284	MET	0	0.029	0.015	5.804	-12.684	-12.684	0.000	0.000	0.000	0.000
280	A	286	ALA	0	-0.046	-0.009	6.302	-9.310	-9.310	0.000	0.000	0.000	0.000
281	A	287	ALA	0	-0.003	0.005	8.136	-7.294	-7.294	0.000	0.000	0.000	0.000
282	A	288	PHE	0	0.010	-0.022	10.944	-5.336	-5.336	0.000	0.000	0.000	0.000
283	A	289	THR	0	0.032	0.031	8.219	1.925	1.925	0.000	0.000	0.000	0.000
284	A	290	ARG	1	0.779	0.909	9.086	-94.364	-94.364	0.000	0.000	0.000	0.000
285	A	291	ASN	0	0.033	0.018	10.387	-3.125	-3.125	0.000	0.000	0.000	0.000
286	A	292	PRO	0	0.065	0.030	14.173	-1.148	-1.148	0.000	0.000	0.000	0.000
287	A	293	TYR	0	-0.086	-0.047	15.806	-1.729	-1.729	0.000	0.000	0.000	0.000
288	A	294	HIS	0	-0.068	-0.045	17.191	-3.675	-3.675	0.000	0.000	0.000	0.000
289	A	295	GLY	0	0.024	0.033	15.660	3.490	3.490	0.000	0.000	0.000	0.000
290	A	296	ILE	0	0.016	-0.006	13.790	-3.318	-3.318	0.000	0.000	0.000	0.000
291	A	297	SER	0	0.052	0.047	12.577	8.284	8.284	0.000	0.000	0.000	0.000
292	A	298	MET	0	-0.039	-0.017	5.912	1.119	1.119	0.000	0.000	0.000	0.000
293	A	299	PHE	0	0.044	0.023	10.002	1.116	1.116	0.000	0.000	0.000	0.000
294	A	300	VAL	0	0.044	0.024	13.104	-2.076	-2.076	0.000	0.000	0.000	0.000
295	A	301	LEU	0	-0.002	-0.005	8.752	-0.773	-0.773	0.000	0.000	0.000	0.000
296	A	302	ALA	0	-0.008	0.002	10.528	-0.314	-0.314	0.000	0.000	0.000	0.000
297	A	303	LYS	1	0.856	0.937	11.647	-56.721	-56.721	0.000	0.000	0.000	0.000
298	A	304	LEU	0	-0.001	-0.014	14.826	-2.287	-2.287	0.000	0.000	0.000	0.000
299	A	305	TYR	0	0.060	0.020	9.563	0.572	0.572	0.000	0.000	0.000	0.000
300	A	306	ARG	1	0.810	0.919	13.691	-60.137	-60.137	0.000	0.000	0.000	0.000
301	A	307	LEU	0	-0.072	-0.042	15.423	-2.844	-2.844	0.000	0.000	0.000	0.000
302	A	308	ILE	0	0.018	-0.003	15.882	-2.027	-2.027	0.000	0.000	0.000	0.000
303	A	309	GLY	0	-0.002	0.006	16.761	-2.171	-2.171	0.000	0.000	0.000	0.000
304	A	310	ILE	0	-0.017	0.001	10.872	0.563	0.563	0.000	0.000	0.000	0.000
305	A	311	ASP	-1	-0.721	-0.847	14.252	63.217	63.217	0.000	0.000	0.000	0.000
306	A	312	GLN	0	-0.054	-0.027	10.295	5.378	5.378	0.000	0.000	0.000	0.000
307	A	313	LEU	0	0.037	0.035	7.110	0.809	0.809	0.000	0.000	0.000	0.000
312	A	318	ALA	0	-0.043	-0.009	7.305	-10.180	-10.180	0.000	0.000	0.000	0.000
313	A	319	GLY	0	0.061	0.025	8.779	-9.053	-9.053	0.000	0.000	0.000	0.000
314	A	320	ALA	0	-0.054	-0.028	10.290	-2.924	-2.924	0.000	0.000	0.000	0.000
315	A	321	GLY	0	0.062	0.025	6.809	-0.484	-0.484	0.000	0.000	0.000	0.000
320	A	326	GLU	-1	-0.957	-0.971	7.552	76.384	76.384	0.000	0.000	0.000	0.000
321	A	327	ARG	1	0.969	0.970	10.602	-64.422	-64.422	0.000	0.000	0.000	0.000
322	A	328	ASP	-1	-0.853	-0.930	12.849	72.458	72.458	0.000	0.000	0.000	0.000
323	A	329	ILE	0	0.047	0.027	9.635	-0.073	-0.073	0.000	0.000	0.000	0.000
324	A	330	THR	0	-0.032	-0.013	7.936	5.781	5.781	0.000	0.000	0.000	0.000
325	A	331	ILE	0	0.017	0.006	9.885	-0.171	-0.171	0.000	0.000	0.000	0.000
326	A	332	GLN	0	0.044	0.028	13.465	-1.217	-1.217	0.000	0.000	0.000	0.000
327	A	333	ASN	0	-0.045	-0.022	8.240	-7.304	-7.304	0.000	0.000	0.000	0.000
328	A	334	ALA	0	0.044	0.000	11.177	-2.117	-2.117	0.000	0.000	0.000	0.000
329	A	335	ARG	1	0.815	0.931	12.169	-60.850	-60.850	0.000	0.000	0.000	0.000
330	A	336	ILE	0	-0.026	-0.002	13.835	-3.599	-3.599	0.000	0.000	0.000	0.000
331	A	337	LEU	0	-0.017	-0.002	10.119	-1.554	-1.554	0.000	0.000	0.000	0.000
332	A	338	ARG	1	0.852	0.891	14.390	-74.540	-74.540	0.000	0.000	0.000	0.000
333	A	339	GLU	-1	-0.842	-0.916	17.006	52.818	52.818	0.000	0.000	0.000	0.000
334	A	340	SER	0	0.011	0.008	20.199	-0.034	-0.034	0.000	0.000	0.000	0.000
335	A	341	HIS	0	-0.104	-0.076	23.281	-1.934	-1.934	0.000	0.000	0.000	0.000
336	A	342	TYR	0	0.010	0.014	18.773	0.105	0.105	0.000	0.000	0.000	0.000
337	A	343	LYS	1	0.906	0.937	22.628	-42.482	-42.482	0.000	0.000	0.000	0.000
338	A	344	PRO	0	0.036	0.030	22.248	1.150	1.150	0.000	0.000	0.000	0.000
339	A	345	ASP	-1	-0.896	-0.946	21.343	50.164	50.164	0.000	0.000	0.000	0.000
340	A	346	GLU	-1	-0.965	-0.981	24.290	37.819	37.819	0.000	0.000	0.000	0.000
341	A	347	ASN	0	-0.042	-0.023	25.497	-0.649	-0.649	0.000	0.000	0.000	0.000
342	A	348	ASP	-1	-0.780	-0.896	20.382	55.709	55.709	0.000	0.000	0.000	0.000
343	A	349	VAL	0	-0.040	-0.028	22.853	-0.877	-0.877	0.000	0.000	0.000	0.000
344	A	350	PHE	0	-0.030	-0.026	18.928	-0.390	-0.390	0.000	0.000	0.000	0.000
345	A	351	HIS	0	-0.065	-0.011	15.781	0.366	0.366	0.000	0.000	0.000	0.000
346	A	352	LEU	0	-0.018	-0.013	20.916	-2.479	-2.479	0.000	0.000	0.000	0.000
347	A	353	GLU	-1	-0.915	-0.963	23.024	40.991	40.991	0.000	0.000	0.000	0.000
348	A	354	GLN	0	-0.011	-0.031	21.199	0.203	0.203	0.000	0.000	0.000	0.000
349	A	355	LYS	1	0.889	0.965	23.637	-37.953	-37.953	0.000	0.000	0.000	0.000
350	A	356	PHE	0	0.089	0.043	18.816	-0.163	-0.163	0.000	0.000	0.000	0.000
351	A	357	TYR	0	-0.045	-0.039	23.841	-1.355	-1.355	0.000	0.000	0.000	0.000
352	A	358	SER	0	0.038	0.013	26.313	-0.277	-0.277	0.000	0.000	0.000	0.000
353	A	359	ILE	0	-0.029	0.010	20.116	0.602	0.602	0.000	0.000	0.000	0.000
354	A	360	LYS	1	0.927	0.967	20.676	-48.077	-48.077	0.000	0.000	0.000	0.000
355	A	361	ALA	0	0.001	0.034	17.317	1.355	1.355	0.000	0.000	0.000	0.000
356	A	362	ALA	0	0.031	0.014	13.105	-0.463	-0.463	0.000	0.000	0.000	0.000
357	A	363	PHE	0	0.007	-0.016	11.912	1.012	1.012	0.000	0.000	0.000	0.000
358	A	364	PRO	0	-0.021	0.003	9.352	6.886	6.886	0.000	0.000	0.000	0.000
359	A	365	THR	0	-0.010	0.005	5.456	-5.285	-5.285	0.000	0.000	0.000	0.000
366	A	372	PRO	0	0.018	-0.004	7.992	-4.465	-4.465	0.000	0.000	0.000	0.000
367	A	373	GLY	0	0.001	0.004	11.258	-5.664	-5.664	0.000	0.000	0.000	0.000
368	A	374	ASN	0	-0.025	-0.005	7.894	-4.303	-4.303	0.000	0.000	0.000	0.000
369	A	375	ILE	0	0.093	0.042	8.990	3.252	3.252	0.000	0.000	0.000	0.000
370	A	376	GLN	0	0.011	-0.029	11.464	-3.058	-3.058	0.000	0.000	0.000	0.000
371	A	377	PRO	0	0.004	0.002	13.492	-1.871	-1.871	0.000	0.000	0.000	0.000
372	A	378	VAL	0	0.022	0.010	9.738	-1.361	-1.361	0.000	0.000	0.000	0.000
373	A	379	ILE	0	0.015	-0.005	12.539	-1.957	-1.957	0.000	0.000	0.000	0.000
374	A	380	GLU	-1	-0.989	-0.976	14.842	60.660	60.660	0.000	0.000	0.000	0.000
375	A	381	ALA	0	-0.070	-0.034	13.829	-3.261	-3.261	0.000	0.000	0.000	0.000
376	A	382	LEU	0	-0.007	-0.002	9.518	0.290	0.290	0.000	0.000	0.000	0.000
377	A	383	GLY	0	0.005	0.022	14.077	-2.239	-2.239	0.000	0.000	0.000	0.000
378	A	384	THR	0	0.040	-0.008	15.104	3.790	3.790	0.000	0.000	0.000	0.000
379	A	385	ASP	-1	-0.848	-0.890	15.803	63.534	63.534	0.000	0.000	0.000	0.000
380	A	386	ILE	0	-0.061	-0.043	10.405	2.624	2.624	0.000	0.000	0.000	0.000
381	A	387	VAL	0	0.014	0.007	8.846	-3.681	-3.681	0.000	0.000	0.000	0.000
382	A	388	LEU	0	-0.014	-0.009	8.348	10.732	10.732	0.000	0.000	0.000	0.000
388	A	394	THR	0	-0.017	0.002	5.934	-13.623	-13.623	0.000	0.000	0.000	0.000
389	A	395	LEU	0	0.010	-0.011	6.470	-12.895	-12.895	0.000	0.000	0.000	0.000
390	A	396	GLY	0	-0.004	0.012	7.588	-8.542	-8.542	0.000	0.000	0.000	0.000
391	A	397	HIS	0	-0.064	-0.041	9.063	-5.711	-5.711	0.000	0.000	0.000	0.000
392	A	398	PRO	0	-0.030	-0.015	12.014	-2.223	-2.223	0.000	0.000	0.000	0.000
393	A	399	ASP	-1	-0.874	-0.946	15.401	53.778	53.778	0.000	0.000	0.000	0.000
394	A	400	GLY	0	0.008	0.012	14.184	-2.716	-2.716	0.000	0.000	0.000	0.000
395	A	401	PRO	0	0.069	0.024	11.600	0.112	0.112	0.000	0.000	0.000	0.000
396	A	402	ALA	0	0.060	0.045	12.795	1.404	1.404	0.000	0.000	0.000	0.000
397	A	403	ALA	0	-0.055	-0.050	15.832	-1.294	-1.294	0.000	0.000	0.000	0.000
398	A	404	GLY	0	0.017	0.004	11.741	-0.141	-0.141	0.000	0.000	0.000	0.000
399	A	405	ALA	0	-0.001	0.004	11.851	3.100	3.100	0.000	0.000	0.000	0.000
400	A	406	ARG	1	0.905	0.952	12.791	-58.037	-58.037	0.000	0.000	0.000	0.000
401	A	407	ALA	0	-0.029	-0.005	12.950	-1.831	-1.831	0.000	0.000	0.000	0.000
402	A	408	VAL	0	0.001	0.009	9.058	-1.896	-1.896	0.000	0.000	0.000	0.000
403	A	409	ARG	1	0.895	0.937	12.234	-66.514	-66.514	0.000	0.000	0.000	0.000
404	A	410	GLN	0	0.012	0.010	15.259	-2.505	-2.505	0.000	0.000	0.000	0.000
405	A	411	ALA	0	0.016	0.007	13.863	-2.282	-2.282	0.000	0.000	0.000	0.000
406	A	412	ILE	0	-0.004	0.010	12.284	-2.090	-2.090	0.000	0.000	0.000	0.000
407	A	413	ASP	-1	-0.914	-0.953	16.187	54.842	54.842	0.000	0.000	0.000	0.000
408	A	414	ALA	0	-0.071	-0.034	18.721	-3.028	-3.028	0.000	0.000	0.000	0.000
409	A	415	ILE	0	0.026	0.036	15.491	-1.616	-1.616	0.000	0.000	0.000	0.000
410	A	416	MET	0	-0.059	-0.017	18.851	-0.974	-0.974	0.000	0.000	0.000	0.000
411	A	417	GLN	0	-0.034	-0.005	21.203	-4.420	-4.420	0.000	0.000	0.000	0.000
412	A	418	GLY	0	-0.003	0.019	23.091	-2.172	-2.172	0.000	0.000	0.000	0.000
413	A	419	ILE	0	-0.094	-0.065	23.428	-0.015	-0.015	0.000	0.000	0.000	0.000
414	A	420	PRO	0	0.024	0.014	21.959	2.265	2.265	0.000	0.000	0.000	0.000
415	A	421	LEU	0	0.050	0.015	16.041	-0.729	-0.729	0.000	0.000	0.000	0.000
416	A	422	ASP	-1	-0.877	-0.940	19.864	53.444	53.444	0.000	0.000	0.000	0.000
417	A	423	GLU	-1	-0.973	-0.990	22.276	41.333	41.333	0.000	0.000	0.000	0.000
418	A	424	TYR	0	0.158	0.078	20.354	-1.943	-1.943	0.000	0.000	0.000	0.000
419	A	425	ALA	0	0.048	0.036	20.077	-0.246	-0.246	0.000	0.000	0.000	0.000
420	A	426	LYS	1	0.885	0.965	21.644	-44.140	-44.140	0.000	0.000	0.000	0.000
421	A	427	THR	0	-0.040	-0.032	24.150	-1.749	-1.749	0.000	0.000	0.000	0.000
422	A	428	HIS	1	0.690	0.830	20.651	-50.590	-50.590	0.000	0.000	0.000	0.000
423	A	429	LYS	1	1.013	1.006	20.762	-46.746	-46.746	0.000	0.000	0.000	0.000
424	A	430	GLU	-1	-0.788	-0.876	16.442	55.407	55.407	0.000	0.000	0.000	0.000
425	A	431	LEU	0	0.070	0.053	15.402	3.213	3.213	0.000	0.000	0.000	0.000
426	A	432	ALA	0	0.011	0.015	16.626	2.118	2.118	0.000	0.000	0.000	0.000
427	A	433	ARG	1	0.800	0.898	17.116	-54.984	-54.984	0.000	0.000	0.000	0.000
428	A	434	ALA	0	0.020	0.005	12.737	1.792	1.792	0.000	0.000	0.000	0.000
429	A	435	LEU	0	-0.040	-0.033	14.271	2.514	2.514	0.000	0.000	0.000	0.000
430	A	436	GLU	-1	-0.961	-0.969	16.051	54.415	54.415	0.000	0.000	0.000	0.000
431	A	437	LYS	1	0.823	0.941	10.294	-88.510	-88.510	0.000	0.000	0.000	0.000
432	A	438	TRP	0	-0.002	-0.007	8.491	0.745	0.745	0.000	0.000	0.000	0.000
433	A	439	GLY	0	0.026	0.004	13.236	-0.317	-0.317	0.000	0.000	0.000	0.000
434	A	440	HIS	1	0.813	0.876	13.965	-67.091	-67.091	0.000	0.000	0.000	0.000
435	A	441	VAL	0	-0.005	0.022	11.228	-0.237	-0.237	0.000	0.000	0.000	0.000
436	A	442	THR	0	0.018	0.015	10.276	3.205	3.205	0.000	0.000	0.000	0.000
437	A	443	PRO	0	-0.033	-0.006	6.432	-4.930	-4.930	0.000	0.000	0.000	0.000
438	A	444	VAL	0	0.030	0.041	8.647	-0.771	-0.771	0.000	0.000	0.000	0.000
439	H	7	THR	0	-0.048	-0.022	12.440	2.699	2.699	0.000	0.000	0.000	0.000
440	H	8	ILE	0	0.022	0.002	8.567	-4.288	-4.288	0.000	0.000	0.000	0.000
441	H	9	TYR	0	-0.030	-0.065	6.248	-4.516	-4.516	0.000	0.000	0.000	0.000
442	H	10	ASP	-1	-0.895	-0.954	12.294	66.551	66.551	0.000	0.000	0.000	0.000
443	H	11	TYR	0	-0.044	-0.017	14.307	-4.442	-4.442	0.000	0.000	0.000	0.000
444	H	12	TYR	0	-0.022	0.001	11.107	0.117	0.117	0.000	0.000	0.000	0.000
445	H	13	VAL	0	-0.047	-0.018	16.041	-1.289	-1.289	0.000	0.000	0.000	0.000
446	H	14	ASP	-1	-0.836	-0.938	19.239	48.094	48.094	0.000	0.000	0.000	0.000
447	H	15	LYS	1	0.809	0.900	22.471	-49.281	-49.281	0.000	0.000	0.000	0.000
448	H	16	GLY	0	-0.038	-0.004	25.570	-1.633	-1.633	0.000	0.000	0.000	0.000
449	H	17	TYR	0	-0.093	-0.053	24.375	-1.222	-1.222	0.000	0.000	0.000	0.000
450	H	18	GLU	-1	-0.930	-0.964	26.431	39.735	39.735	0.000	0.000	0.000	0.000
451	H	19	PRO	0	0.004	-0.001	25.775	0.234	0.234	0.000	0.000	0.000	0.000
452	H	20	SER	0	-0.023	-0.021	27.069	-2.435	-2.435	0.000	0.000	0.000	0.000
453	H	21	LYS	1	1.026	0.989	27.507	-35.954	-35.954	0.000	0.000	0.000	0.000
454	H	22	LYS	1	0.807	0.893	28.837	-36.671	-36.671	0.000	0.000	0.000	0.000
455	H	23	ARG	1	0.927	0.950	26.234	-40.319	-40.319	0.000	0.000	0.000	0.000
456	H	24	ASP	-1	-0.739	-0.812	23.346	50.232	50.232	0.000	0.000	0.000	0.000
457	H	25	ILE	0	-0.007	0.015	18.832	-1.779	-1.779	0.000	0.000	0.000	0.000
458	H	26	ILE	0	-0.031	-0.010	21.062	1.310	1.310	0.000	0.000	0.000	0.000
459	H	27	ALA	0	0.015	0.026	17.629	-0.883	-0.883	0.000	0.000	0.000	0.000
460	H	28	VAL	0	-0.022	-0.004	19.597	0.447	0.447	0.000	0.000	0.000	0.000
461	H	29	PHE	0	0.043	0.008	14.290	0.789	0.789	0.000	0.000	0.000	0.000
462	H	30	ARG	1	0.905	0.964	19.346	-51.667	-51.667	0.000	0.000	0.000	0.000
463	H	31	VAL	0	-0.010	-0.018	16.659	3.218	3.218	0.000	0.000	0.000	0.000
464	H	32	THR	0	0.037	0.017	17.605	-3.744	-3.744	0.000	0.000	0.000	0.000
465	H	33	PRO	0	0.004	0.007	17.105	4.676	4.676	0.000	0.000	0.000	0.000
466	H	34	ALA	0	-0.024	0.006	15.008	-2.259	-2.259	0.000	0.000	0.000	0.000
467	H	35	GLU	-1	-0.912	-0.972	17.133	52.835	52.835	0.000	0.000	0.000	0.000
468	H	36	GLY	0	-0.039	-0.020	19.465	1.578	1.578	0.000	0.000	0.000	0.000
469	H	37	TYR	0	-0.044	-0.016	14.346	3.310	3.310	0.000	0.000	0.000	0.000
470	H	38	THR	0	0.028	-0.001	18.923	-0.554	-0.554	0.000	0.000	0.000	0.000
471	H	39	ILE	0	0.097	0.041	18.887	3.682	3.682	0.000	0.000	0.000	0.000
472	H	40	GLU	-1	-0.829	-0.918	18.673	55.666	55.666	0.000	0.000	0.000	0.000
473	H	41	GLN	0	0.039	0.038	15.885	2.289	2.289	0.000	0.000	0.000	0.000
474	H	42	ALA	0	-0.007	0.004	14.557	6.101	6.101	0.000	0.000	0.000	0.000
475	H	43	ALA	0	0.007	-0.005	14.512	4.794	4.794	0.000	0.000	0.000	0.000
476	H	44	GLY	0	0.040	0.024	15.082	2.405	2.405	0.000	0.000	0.000	0.000
477	H	45	ALA	0	-0.005	-0.010	10.546	4.113	4.113	0.000	0.000	0.000	0.000
478	H	46	VAL	0	0.010	-0.002	10.674	8.369	8.369	0.000	0.000	0.000	0.000
479	H	47	ALA	0	0.025	0.031	11.765	2.641	2.641	0.000	0.000	0.000	0.000
480	H	48	ALA	0	-0.012	0.001	9.755	0.926	0.926	0.000	0.000	0.000	0.000
481	H	49	GLU	-1	-0.808	-0.897	5.724	175.066	175.066	0.000	0.000	0.000	0.000
482	H	50	SER	0	-0.069	-0.012	7.811	3.176	3.176	0.000	0.000	0.000	0.000
483	H	51	SER	0	-0.011	-0.012	10.381	-7.037	-7.037	0.000	0.000	0.000	0.000
484	H	52	THR	0	0.029	0.004	9.896	5.416	5.416	0.000	0.000	0.000	0.000
485	H	53	GLY	0	-0.005	0.008	8.284	0.228	0.228	0.000	0.000	0.000	0.000
488	H	56	THR	0	-0.040	-0.028	5.297	-21.141	-21.141	0.000	0.000	0.000	0.000
489	H	57	THR	0	-0.027	-0.017	7.443	2.425	2.425	0.000	0.000	0.000	0.000
490	H	58	LEU	0	0.036	0.003	5.859	5.498	5.498	0.000	0.000	0.000	0.000
491	H	59	TYR	0	-0.003	0.004	9.847	-7.098	-7.098	0.000	0.000	0.000	0.000
492	H	60	PRO	0	0.010	0.000	12.584	2.488	2.488	0.000	0.000	0.000	0.000
493	H	61	TRP	0	-0.061	-0.036	9.985	-6.528	-6.528	0.000	0.000	0.000	0.000
494	H	62	TYR	0	-0.008	0.004	11.759	0.466	0.466	0.000	0.000	0.000	0.000
495	H	63	GLU	-1	-0.940	-0.976	15.847	49.243	49.243	0.000	0.000	0.000	0.000
496	H	64	GLN	0	-0.024	-0.024	14.942	0.808	0.808	0.000	0.000	0.000	0.000
497	H	65	GLU	-1	-0.934	-0.969	18.109	50.312	50.312	0.000	0.000	0.000	0.000
498	H	66	ARG	1	0.897	0.945	17.271	-58.079	-58.079	0.000	0.000	0.000	0.000
499	H	67	TRP	0	-0.005	-0.004	11.294	-1.706	-1.706	0.000	0.000	0.000	0.000
500	H	68	ALA	0	-0.028	-0.012	15.869	2.208	2.208	0.000	0.000	0.000	0.000
501	H	69	ASP	-1	-0.903	-0.929	17.850	51.862	51.862	0.000	0.000	0.000	0.000
502	H	70	LEU	0	-0.017	-0.012	15.833	-0.166	-0.166	0.000	0.000	0.000	0.000
503	H	71	SER	0	-0.071	-0.024	14.784	4.605	4.605	0.000	0.000	0.000	0.000
504	H	72	ALA	0	-0.008	0.004	15.213	-3.539	-3.539	0.000	0.000	0.000	0.000
505	H	73	LYS	1	0.912	0.959	16.903	-54.285	-54.285	0.000	0.000	0.000	0.000
506	H	74	ALA	0	0.004	0.010	18.257	-1.320	-1.320	0.000	0.000	0.000	0.000
507	H	75	TYR	0	0.018	-0.005	20.063	-1.595	-1.595	0.000	0.000	0.000	0.000
508	H	76	ASP	-1	-0.946	-0.967	23.479	42.525	42.525	0.000	0.000	0.000	0.000
509	H	77	PHE	0	-0.034	-0.031	20.799	2.673	2.673	0.000	0.000	0.000	0.000
510	H	78	HIS	0	0.042	0.020	25.359	-2.948	-2.948	0.000	0.000	0.000	0.000
511	H	79	ASP	-1	-0.885	-0.935	26.336	45.940	45.940	0.000	0.000	0.000	0.000
512	H	80	MET	0	-0.037	-0.011	25.962	-1.588	-1.588	0.000	0.000	0.000	0.000
513	H	81	GLY	0	0.003	0.012	28.438	-1.409	-1.409	0.000	0.000	0.000	0.000
514	H	82	ASP	-1	-0.804	-0.883	25.567	46.419	46.419	0.000	0.000	0.000	0.000
515	H	83	GLY	0	-0.013	-0.009	24.244	0.897	0.897	0.000	0.000	0.000	0.000
516	H	84	SER	0	-0.115	-0.097	21.995	2.984	2.984	0.000	0.000	0.000	0.000
517	H	85	TRP	0	0.019	-0.008	22.225	-2.146	-2.146	0.000	0.000	0.000	0.000
518	H	86	ILE	0	-0.003	0.002	22.003	2.934	2.934	0.000	0.000	0.000	0.000
519	H	87	VAL	0	-0.015	-0.009	19.428	-0.940	-0.940	0.000	0.000	0.000	0.000
520	H	88	ARG	1	0.917	0.979	20.658	-43.537	-43.537	0.000	0.000	0.000	0.000
521	H	89	ILE	0	0.017	-0.005	15.924	-0.041	-0.041	0.000	0.000	0.000	0.000
522	H	90	ALA	0	-0.030	-0.009	19.609	-0.525	-0.525	0.000	0.000	0.000	0.000
523	H	91	TYR	0	0.006	-0.044	13.864	0.809	0.809	0.000	0.000	0.000	0.000
524	H	92	PRO	0	0.059	0.062	18.032	-2.875	-2.875	0.000	0.000	0.000	0.000
525	H	93	PHE	0	0.016	-0.034	19.502	1.227	1.227	0.000	0.000	0.000	0.000
526	H	94	HIS	0	-0.087	-0.052	20.442	0.564	0.564	0.000	0.000	0.000	0.000
527	H	95	ALA	0	0.053	0.030	15.443	0.378	0.378	0.000	0.000	0.000	0.000
528	H	96	PHE	0	-0.032	0.019	13.867	3.940	3.940	0.000	0.000	0.000	0.000
529	H	97	GLU	-1	-0.761	-0.869	16.293	57.008	57.008	0.000	0.000	0.000	0.000
530	H	98	GLU	-1	-0.920	-0.955	18.195	45.306	45.306	0.000	0.000	0.000	0.000
531	H	99	ALA	0	-0.003	-0.003	21.046	0.410	0.410	0.000	0.000	0.000	0.000
532	H	100	ASN	0	0.060	0.048	15.051	0.788	0.788	0.000	0.000	0.000	0.000
533	H	101	LEU	0	-0.006	-0.005	16.763	2.707	2.707	0.000	0.000	0.000	0.000
534	H	102	PRO	0	0.050	0.009	14.847	3.464	3.464	0.000	0.000	0.000	0.000
535	H	103	GLY	0	0.076	0.026	12.164	5.495	5.495	0.000	0.000	0.000	0.000
536	H	104	LEU	0	-0.030	-0.002	12.142	4.056	4.056	0.000	0.000	0.000	0.000
537	H	105	LEU	0	-0.050	-0.037	13.175	2.796	2.796	0.000	0.000	0.000	0.000
538	H	106	ALA	0	0.017	0.017	8.456	4.774	4.774	0.000	0.000	0.000	0.000
539	H	107	SER	0	-0.036	-0.020	8.323	10.014	10.014	0.000	0.000	0.000	0.000
540	H	108	ILE	0	-0.057	-0.033	10.510	3.926	3.926	0.000	0.000	0.000	0.000
541	H	109	ALA	0	-0.005	-0.010	11.287	-3.028	-3.028	0.000	0.000	0.000	0.000
542	H	110	GLY	0	0.104	0.054	7.402	0.351	0.351	0.000	0.000	0.000	0.000
545	H	113	PHE	0	-0.016	-0.001	8.469	-3.771	-3.771	0.000	0.000	0.000	0.000
546	H	114	GLY	0	0.016	-0.011	5.642	-6.966	-6.966	0.000	0.000	0.000	0.000
547	H	115	MET	0	-0.042	0.021	6.481	7.193	7.193	0.000	0.000	0.000	0.000
548	H	116	LYS	1	0.863	0.927	8.431	-123.949	-123.949	0.000	0.000	0.000	0.000
549	H	117	ARG	1	0.805	0.899	10.392	-95.134	-95.134	0.000	0.000	0.000	0.000
550	H	118	VAL	0	-0.033	0.002	11.309	-6.857	-6.857	0.000	0.000	0.000	0.000
551	H	119	LYS	1	0.960	0.972	12.706	-54.100	-54.100	0.000	0.000	0.000	0.000
552	H	120	GLY	0	-0.022	-0.008	14.801	-0.577	-0.577	0.000	0.000	0.000	0.000
553	H	121	LEU	0	0.017	0.005	12.271	-0.645	-0.645	0.000	0.000	0.000	0.000
554	H	122	ARG	1	0.901	0.977	14.955	-52.068	-52.068	0.000	0.000	0.000	0.000
555	H	123	LEU	0	-0.020	0.009	15.541	-1.737	-1.737	0.000	0.000	0.000	0.000
556	H	124	GLU	-1	-0.877	-0.973	17.871	50.429	50.429	0.000	0.000	0.000	0.000
557	H	125	ASP	-1	-0.810	-0.925	21.150	45.028	45.028	0.000	0.000	0.000	0.000
558	H	126	LEU	0	-0.026	-0.007	17.954	2.664	2.664	0.000	0.000	0.000	0.000
559	H	127	TYR	0	-0.093	-0.055	21.367	-2.701	-2.701	0.000	0.000	0.000	0.000
560	H	128	PHE	0	0.051	0.013	19.925	1.585	1.585	0.000	0.000	0.000	0.000
561	H	129	PRO	0	0.051	0.042	23.947	-2.302	-2.302	0.000	0.000	0.000	0.000
562	H	130	GLU	-1	-0.861	-0.934	27.106	35.447	35.447	0.000	0.000	0.000	0.000
563	H	131	LYS	1	0.827	0.918	25.291	-45.104	-45.104	0.000	0.000	0.000	0.000
564	H	132	LEU	0	0.121	0.056	20.775	-0.289	-0.289	0.000	0.000	0.000	0.000
565	H	133	ILE	0	-0.036	-0.002	25.199	-0.345	-0.345	0.000	0.000	0.000	0.000
566	H	134	ARG	1	0.802	0.867	27.767	-35.426	-35.426	0.000	0.000	0.000	0.000
567	H	135	GLU	-1	-0.846	-0.909	23.309	47.289	47.289	0.000	0.000	0.000	0.000
568	H	136	PHE	0	-0.056	-0.013	21.985	1.154	1.154	0.000	0.000	0.000	0.000
569	H	137	ASP	-1	-0.861	-0.931	27.681	36.728	36.728	0.000	0.000	0.000	0.000
570	H	138	GLY	0	-0.054	-0.026	29.550	-1.219	-1.219	0.000	0.000	0.000	0.000
571	H	139	PRO	0	-0.070	-0.029	30.957	-0.353	-0.353	0.000	0.000	0.000	0.000
572	H	140	ALA	0	0.054	0.038	33.198	-0.683	-0.683	0.000	0.000	0.000	0.000
573	H	141	PHE	0	-0.083	-0.037	35.839	-1.345	-1.345	0.000	0.000	0.000	0.000
574	H	142	GLY	0	-0.014	-0.025	36.056	-0.554	-0.554	0.000	0.000	0.000	0.000
575	H	143	ILE	0	-0.035	-0.024	37.003	-0.595	-0.595	0.000	0.000	0.000	0.000
576	H	144	GLU	-1	-0.978	-0.984	39.483	27.596	27.596	0.000	0.000	0.000	0.000
577	H	145	GLY	0	-0.007	-0.007	40.688	-0.742	-0.742	0.000	0.000	0.000	0.000
578	H	146	VAL	0	0.048	0.021	38.288	-0.673	-0.673	0.000	0.000	0.000	0.000
579	H	147	ARG	1	0.781	0.869	41.527	-27.994	-27.994	0.000	0.000	0.000	0.000
580	H	148	LYS	1	0.901	0.957	44.476	-27.006	-27.006	0.000	0.000	0.000	0.000
581	H	149	MET	0	-0.052	-0.006	41.522	-0.465	-0.465	0.000	0.000	0.000	0.000
582	H	150	LEU	0	0.007	-0.011	42.450	-0.443	-0.443	0.000	0.000	0.000	0.000
583	H	151	GLU	-1	-0.960	-0.981	46.465	22.990	22.990	0.000	0.000	0.000	0.000
584	H	152	ILE	0	-0.050	-0.005	45.564	-0.531	-0.531	0.000	0.000	0.000	0.000
585	H	153	LYS	1	0.890	0.956	46.741	-23.563	-23.563	0.000	0.000	0.000	0.000
586	H	154	ASP	-1	-0.854	-0.925	47.366	24.685	24.685	0.000	0.000	0.000	0.000
587	H	155	ARG	1	0.798	0.878	46.589	-24.806	-24.806	0.000	0.000	0.000	0.000
588	H	156	PRO	0	0.042	0.019	42.360	0.195	0.195	0.000	0.000	0.000	0.000
589	H	157	ILE	0	-0.035	-0.004	40.910	-0.584	-0.584	0.000	0.000	0.000	0.000
590	H	158	TYR	0	-0.018	-0.072	41.582	0.312	0.312	0.000	0.000	0.000	0.000
591	H	159	GLY	0	0.050	-0.058	41.232	-0.459	-0.459	0.000	0.000	0.000	0.000
592	H	160	VAL	0	-0.053	-0.034	40.728	0.103	0.103	0.000	0.000	0.000	0.000
593	H	161	VAL	0	0.059	0.025	35.235	-0.138	-0.138	0.000	0.000	0.000	0.000
594	H	162	PRO	0	-0.046	-0.020	38.373	-0.299	-0.299	0.000	0.000	0.000	0.000
595	H	163	LYS	1	0.820	0.888	34.844	-32.077	-32.077	0.000	0.000	0.000	0.000
596	H	164	PRO	0	0.030	-0.009	38.606	-0.819	-0.819	0.000	0.000	0.000	0.000
597	H	165	LYS	1	0.790	0.913	30.857	-36.235	-36.235	0.000	0.000	0.000	0.000
598	H	166	VAL	0	0.018	0.014	33.139	-0.094	-0.094	0.000	0.000	0.000	0.000
599	H	167	GLY	0	0.036	0.006	36.259	-0.162	-0.162	0.000	0.000	0.000	0.000
600	H	168	TYR	0	-0.073	-0.006	37.941	-0.967	-0.967	0.000	0.000	0.000	0.000
601	H	169	SER	0	0.056	0.021	40.783	0.599	0.599	0.000	0.000	0.000	0.000
602	H	170	PRO	0	0.036	0.016	41.830	-0.134	-0.134	0.000	0.000	0.000	0.000
603	H	171	GLU	-1	-0.831	-0.930	43.918	25.182	25.182	0.000	0.000	0.000	0.000
604	H	172	GLU	-1	-0.840	-0.921	45.105	25.602	25.602	0.000	0.000	0.000	0.000
605	H	173	PHE	0	-0.041	-0.041	41.523	-0.151	-0.151	0.000	0.000	0.000	0.000
606	H	174	GLU	-1	-0.909	-0.946	44.838	23.763	23.763	0.000	0.000	0.000	0.000
607	H	175	LYS	1	0.813	0.883	47.612	-22.935	-22.935	0.000	0.000	0.000	0.000
608	H	176	LEU	0	-0.011	-0.008	43.921	-0.272	-0.272	0.000	0.000	0.000	0.000
609	H	177	ALA	0	0.032	0.010	44.895	-0.206	-0.206	0.000	0.000	0.000	0.000
610	H	178	TYR	0	-0.051	-0.030	46.527	-0.208	-0.208	0.000	0.000	0.000	0.000
611	H	179	ASP	-1	-0.828	-0.895	50.142	22.441	22.441	0.000	0.000	0.000	0.000
612	H	180	LEU	0	-0.038	-0.039	44.754	-0.220	-0.220	0.000	0.000	0.000	0.000
613	H	181	LEU	0	-0.009	0.006	44.926	-0.136	-0.136	0.000	0.000	0.000	0.000
614	H	182	SER	0	0.035	0.016	48.682	-0.328	-0.328	0.000	0.000	0.000	0.000
615	H	183	ASN	0	-0.112	-0.040	51.195	-0.671	-0.671	0.000	0.000	0.000	0.000
616	H	184	GLY	0	0.020	0.001	50.560	0.044	0.044	0.000	0.000	0.000	0.000
617	H	185	ALA	0	0.031	0.035	45.239	0.272	0.272	0.000	0.000	0.000	0.000
618	H	186	ASP	-1	-0.757	-0.858	43.904	25.767	25.767	0.000	0.000	0.000	0.000
619	H	187	TYR	0	0.002	0.082	38.400	0.112	0.112	0.000	0.000	0.000	0.000
620	H	188	MET	0	-0.014	0.019	41.380	-0.269	-0.269	0.000	0.000	0.000	0.000
621	H	189	KCX	-1	-0.409	-0.744	32.475	36.118	36.118	0.000	0.000	0.000	0.000
622	H	190	ASP	-1	-0.681	-0.819	34.268	31.533	31.533	0.000	0.000	0.000	0.000
623	H	191	ASP	0	0.227	0.063	33.372	0.498	0.498	0.000	0.000	0.000	0.000
624	H	192	GLU	0	0.176	-0.027	27.648	-0.126	-0.126	0.000	0.000	0.000	0.000
625	H	500	merge:H:AS	-1	-2.319	-1.641	27.417	35.702	35.702	0.000	0.000	0.000	0.000
626	H	193	ASN	0	-0.013	0.011	28.582	0.252	0.252	0.000	0.000	0.000	0.000
627	H	194	LEU	0	-0.072	-0.019	29.520	-0.286	-0.286	0.000	0.000	0.000	0.000
628	H	195	THR	0	0.009	0.018	28.460	-0.264	-0.264	0.000	0.000	0.000	0.000
629	H	196	SER	0	0.047	0.052	31.839	-1.477	-1.477	0.000	0.000	0.000	0.000
630	H	197	PRO	0	0.011	0.020	33.577	0.014	0.014	0.000	0.000	0.000	0.000
631	H	198	TRP	0	-0.024	-0.027	34.875	-1.121	-1.121	0.000	0.000	0.000	0.000
632	H	199	TYR	0	-0.065	-0.049	33.913	-0.884	-0.884	0.000	0.000	0.000	0.000
633	H	200	ASN	0	-0.011	-0.044	37.761	-0.506	-0.506	0.000	0.000	0.000	0.000
634	H	201	ARG	1	0.951	1.000	35.533	-30.248	-30.248	0.000	0.000	0.000	0.000
635	H	202	PHE	0	0.060	-0.006	34.481	-0.487	-0.487	0.000	0.000	0.000	0.000
636	H	203	GLU	-1	-0.800	-0.917	37.222	30.101	30.101	0.000	0.000	0.000	0.000
637	H	204	GLU	-1	-0.940	-0.968	40.050	26.828	26.828	0.000	0.000	0.000	0.000
638	H	205	ARG	1	0.782	0.868	34.512	-32.586	-32.586	0.000	0.000	0.000	0.000
639	H	206	ALA	0	0.030	0.013	39.675	-0.346	-0.346	0.000	0.000	0.000	0.000
640	H	207	GLU	-1	-0.911	-0.966	41.624	25.260	25.260	0.000	0.000	0.000	0.000
641	H	208	ILE	0	-0.081	-0.036	44.909	-0.574	-0.574	0.000	0.000	0.000	0.000
642	H	209	MET	0	-0.030	-0.021	41.920	-0.641	-0.641	0.000	0.000	0.000	0.000
643	H	210	ALA	0	0.043	0.029	44.988	-0.323	-0.323	0.000	0.000	0.000	0.000
644	H	211	LYS	1	0.923	0.974	46.449	-24.989	-24.989	0.000	0.000	0.000	0.000
645	H	212	ILE	0	-0.042	-0.010	46.963	-0.532	-0.532	0.000	0.000	0.000	0.000
646	H	213	ILE	0	-0.024	-0.010	44.042	-0.308	-0.308	0.000	0.000	0.000	0.000
647	H	214	ASP	-1	-0.844	-0.909	48.642	23.727	23.727	0.000	0.000	0.000	0.000
648	H	215	LYS	1	0.861	0.935	51.591	-22.063	-22.063	0.000	0.000	0.000	0.000
649	H	216	VAL	0	0.008	-0.015	50.610	-0.386	-0.386	0.000	0.000	0.000	0.000
650	H	217	GLU	-1	-0.850	-0.900	48.675	24.352	24.352	0.000	0.000	0.000	0.000
651	H	218	ASN	0	-0.116	-0.047	52.922	-0.572	-0.572	0.000	0.000	0.000	0.000
652	H	219	GLU	-1	-0.912	-0.952	56.047	20.842	20.842	0.000	0.000	0.000	0.000
653	H	220	THR	0	-0.077	-0.065	53.874	-0.192	-0.192	0.000	0.000	0.000	0.000
654	H	221	GLY	0	-0.049	-0.010	56.032	-0.126	-0.126	0.000	0.000	0.000	0.000
655	H	222	GLU	-1	-0.964	-0.975	51.415	22.993	22.993	0.000	0.000	0.000	0.000
656	H	223	LYS	1	0.909	0.968	47.942	-23.829	-23.829	0.000	0.000	0.000	0.000
657	H	224	LYS	1	0.823	0.911	46.346	-24.327	-24.327	0.000	0.000	0.000	0.000
658	H	225	THR	0	-0.035	-0.044	40.722	0.056	0.056	0.000	0.000	0.000	0.000
659	H	226	TRP	0	-0.001	-0.007	37.979	-0.508	-0.508	0.000	0.000	0.000	0.000
660	H	227	PHE	0	-0.044	-0.027	34.990	0.334	0.334	0.000	0.000	0.000	0.000
661	H	228	ALA	0	0.075	0.047	35.719	0.352	0.352	0.000	0.000	0.000	0.000
662	H	229	ASN	0	0.007	-0.003	29.289	1.507	1.507	0.000	0.000	0.000	0.000
663	H	230	ILE	0	-0.006	0.002	29.008	-0.312	-0.312	0.000	0.000	0.000	0.000
664	H	231	THR	0	-0.036	-0.023	24.950	1.140	1.140	0.000	0.000	0.000	0.000
665	H	232	ALA	0	-0.016	-0.027	26.007	-0.941	-0.941	0.000	0.000	0.000	0.000
666	H	233	ASP	-1	-0.904	-0.944	22.853	48.486	48.486	0.000	0.000	0.000	0.000
667	H	234	LEU	0	0.019	0.001	23.796	-1.131	-1.131	0.000	0.000	0.000	0.000
668	H	235	LEU	0	0.046	0.021	25.544	-1.111	-1.111	0.000	0.000	0.000	0.000
669	H	236	GLU	-1	-0.872	-0.942	28.205	38.161	38.161	0.000	0.000	0.000	0.000
670	H	237	MET	0	-0.104	-0.044	24.158	-1.003	-1.003	0.000	0.000	0.000	0.000
671	H	238	GLU	-1	-0.834	-0.920	28.959	38.254	38.254	0.000	0.000	0.000	0.000
672	H	239	GLN	0	-0.008	0.002	31.405	-1.623	-1.623	0.000	0.000	0.000	0.000
673	H	240	ARG	1	0.807	0.888	30.991	-37.132	-37.132	0.000	0.000	0.000	0.000
674	H	241	LEU	0	-0.004	-0.015	30.495	-0.781	-0.781	0.000	0.000	0.000	0.000
675	H	242	GLU	-1	-0.923	-0.949	34.663	30.211	30.211	0.000	0.000	0.000	0.000
676	H	243	VAL	0	0.003	0.006	37.352	-0.899	-0.899	0.000	0.000	0.000	0.000
677	H	244	LEU	0	-0.084	-0.046	35.424	-0.763	-0.763	0.000	0.000	0.000	0.000
678	H	245	ALA	0	0.002	0.005	38.948	-0.739	-0.739	0.000	0.000	0.000	0.000
679	H	246	ASP	-1	-0.921	-0.955	40.640	27.727	27.727	0.000	0.000	0.000	0.000
680	H	247	LEU	0	-0.108	-0.051	42.326	-0.815	-0.815	0.000	0.000	0.000	0.000
681	H	248	GLY	0	-0.044	-0.007	43.830	-0.510	-0.510	0.000	0.000	0.000	0.000
682	H	249	LEU	0	-0.074	-0.031	40.953	-0.254	-0.254	0.000	0.000	0.000	0.000
683	H	250	LYS	1	0.890	0.916	41.034	-26.434	-26.434	0.000	0.000	0.000	0.000
684	H	251	HIS	0	0.013	0.007	36.202	-0.130	-0.130	0.000	0.000	0.000	0.000
685	H	252	ALA	0	0.059	0.049	32.939	-0.235	-0.235	0.000	0.000	0.000	0.000
686	H	253	MET	0	-0.083	-0.027	30.117	0.122	0.122	0.000	0.000	0.000	0.000
687	H	254	VAL	0	0.039	0.019	25.435	0.287	0.287	0.000	0.000	0.000	0.000
688	H	255	ASP	-1	-0.779	-0.903	24.126	42.212	42.212	0.000	0.000	0.000	0.000
689	H	256	VAL	0	-0.049	-0.019	23.249	1.930	1.930	0.000	0.000	0.000	0.000
690	H	257	VAL	0	-0.067	-0.030	18.262	1.869	1.869	0.000	0.000	0.000	0.000
691	H	258	ILE	0	-0.034	0.010	18.432	2.959	2.959	0.000	0.000	0.000	0.000
692	H	259	THR	0	0.008	-0.009	19.000	1.377	1.377	0.000	0.000	0.000	0.000
693	H	260	GLY	0	-0.004	0.011	17.489	1.632	1.632	0.000	0.000	0.000	0.000
694	H	261	TRP	0	-0.034	-0.038	15.003	-4.140	-4.140	0.000	0.000	0.000	0.000
695	H	262	GLY	0	-0.001	0.010	17.328	-1.339	-1.339	0.000	0.000	0.000	0.000
696	H	263	ALA	0	0.045	0.020	18.149	-1.271	-1.271	0.000	0.000	0.000	0.000
697	H	264	LEU	0	-0.026	-0.002	21.472	-2.164	-2.164	0.000	0.000	0.000	0.000
698	H	265	ARG	1	0.922	0.941	23.030	-46.436	-46.436	0.000	0.000	0.000	0.000
699	H	266	TYR	0	-0.001	0.004	24.396	-1.278	-1.278	0.000	0.000	0.000	0.000
700	H	267	ILE	0	0.039	0.017	25.499	-1.478	-1.478	0.000	0.000	0.000	0.000
701	H	268	ARG	1	0.824	0.892	27.424	-39.375	-39.375	0.000	0.000	0.000	0.000
702	H	269	ASP	-1	-0.868	-0.933	28.453	38.692	38.692	0.000	0.000	0.000	0.000
703	H	270	LEU	0	0.018	0.031	30.309	-1.202	-1.202	0.000	0.000	0.000	0.000
704	H	271	ALA	0	0.000	-0.007	31.885	-1.178	-1.178	0.000	0.000	0.000	0.000
705	H	272	ALA	0	-0.051	-0.025	33.346	-1.216	-1.216	0.000	0.000	0.000	0.000
706	H	273	ASP	-1	-0.927	-0.951	34.538	32.866	32.866	0.000	0.000	0.000	0.000
707	H	274	TYR	0	-0.045	-0.027	34.894	-0.803	-0.803	0.000	0.000	0.000	0.000
708	H	275	GLY	0	-0.071	-0.027	38.162	-0.848	-0.848	0.000	0.000	0.000	0.000
709	H	276	LEU	0	-0.055	-0.032	35.790	-0.508	-0.508	0.000	0.000	0.000	0.000
710	H	277	ALA	0	-0.040	-0.013	35.674	0.843	0.843	0.000	0.000	0.000	0.000
711	H	278	ILE	0	0.012	-0.004	29.677	0.235	0.235	0.000	0.000	0.000	0.000
712	H	279	HIS	0	-0.071	-0.049	31.800	-0.473	-0.473	0.000	0.000	0.000	0.000
713	H	280	GLY	0	0.043	0.003	28.171	0.615	0.615	0.000	0.000	0.000	0.000
714	H	281	HIS	0	0.707	0.600	27.436	0.744	0.744	0.000	0.000	0.000	0.000
715	H	282	ARG	1	0.755	0.827	23.854	-40.076	-40.076	0.000	0.000	0.000	0.000
716	H	283	ALA	0	0.054	0.027	22.936	1.861	1.861	0.000	0.000	0.000	0.000
717	H	284	MET	0	0.031	0.013	17.601	2.275	2.275	0.000	0.000	0.000	0.000
718	H	285	HIS	1	0.888	0.954	19.122	-44.638	-44.638	0.000	0.000	0.000	0.000
719	H	286	ALA	0	-0.044	-0.009	19.429	1.953	1.953	0.000	0.000	0.000	0.000
720	H	287	ALA	0	0.017	0.013	16.724	0.377	0.377	0.000	0.000	0.000	0.000
721	H	288	PHE	0	0.017	-0.008	14.868	2.952	2.952	0.000	0.000	0.000	0.000
722	H	289	THR	0	0.042	0.031	16.798	0.000	0.000	0.000	0.000	0.000	0.000
723	H	290	ARG	1	0.782	0.910	20.042	-46.587	-46.587	0.000	0.000	0.000	0.000
724	H	291	ASN	0	0.034	0.008	17.570	-3.702	-3.702	0.000	0.000	0.000	0.000
725	H	292	PRO	0	0.028	0.019	19.900	1.988	1.988	0.000	0.000	0.000	0.000
726	H	293	TYR	0	-0.049	-0.035	19.447	-0.205	-0.205	0.000	0.000	0.000	0.000
727	H	294	HIS	0	-0.078	-0.048	11.241	-0.477	-0.477	0.000	0.000	0.000	0.000
728	H	295	GLY	0	0.015	0.030	14.403	-2.516	-2.516	0.000	0.000	0.000	0.000
729	H	296	ILE	0	0.011	-0.005	13.444	1.016	1.016	0.000	0.000	0.000	0.000
730	H	297	SER	0	0.025	0.020	17.283	-2.661	-2.661	0.000	0.000	0.000	0.000
731	H	298	MET	0	0.008	0.008	21.083	1.110	1.110	0.000	0.000	0.000	0.000
732	H	299	PHE	0	-0.010	0.004	23.287	-0.913	-0.913	0.000	0.000	0.000	0.000
733	H	300	VAL	0	0.028	0.015	18.767	-1.062	-1.062	0.000	0.000	0.000	0.000
734	H	301	LEU	0	0.000	-0.003	18.576	-0.181	-0.181	0.000	0.000	0.000	0.000
735	H	302	ALA	0	0.009	0.004	22.194	-0.899	-0.899	0.000	0.000	0.000	0.000
736	H	303	LYS	1	0.860	0.941	24.044	-47.615	-47.615	0.000	0.000	0.000	0.000
737	H	304	LEU	0	-0.002	-0.006	18.852	-0.938	-0.938	0.000	0.000	0.000	0.000
738	H	305	TYR	0	0.049	0.017	20.130	-0.574	-0.574	0.000	0.000	0.000	0.000
739	H	306	ARG	1	0.803	0.910	25.186	-38.156	-38.156	0.000	0.000	0.000	0.000
740	H	307	LEU	0	-0.054	-0.032	24.269	-1.305	-1.305	0.000	0.000	0.000	0.000
741	H	308	ILE	0	0.020	0.003	21.659	-0.806	-0.806	0.000	0.000	0.000	0.000
742	H	309	GLY	0	0.004	0.002	26.161	-0.890	-0.890	0.000	0.000	0.000	0.000
743	H	310	ILE	0	-0.028	-0.003	26.363	-0.882	-0.882	0.000	0.000	0.000	0.000
744	H	311	ASP	-1	-0.708	-0.845	29.772	34.017	34.017	0.000	0.000	0.000	0.000
745	H	312	GLN	0	-0.026	-0.004	32.289	-1.728	-1.728	0.000	0.000	0.000	0.000
746	H	313	LEU	0	0.030	0.040	26.037	1.120	1.120	0.000	0.000	0.000	0.000
747	H	314	HIS	0	0.048	0.024	28.740	-1.418	-1.418	0.000	0.000	0.000	0.000
748	H	315	VAL	0	-0.038	-0.025	28.344	1.529	1.529	0.000	0.000	0.000	0.000
749	H	316	GLY	0	0.023	-0.004	29.595	1.049	1.049	0.000	0.000	0.000	0.000
750	H	317	THR	0	0.018	-0.001	31.577	-0.911	-0.911	0.000	0.000	0.000	0.000
751	H	318	ALA	0	-0.001	0.006	33.704	-0.897	-0.897	0.000	0.000	0.000	0.000
752	H	319	GLY	0	-0.008	-0.004	34.071	-0.808	-0.808	0.000	0.000	0.000	0.000
753	H	320	ALA	0	-0.025	-0.015	35.517	-0.333	-0.333	0.000	0.000	0.000	0.000
754	H	321	GLY	0	0.043	0.028	35.385	-0.686	-0.686	0.000	0.000	0.000	0.000
755	H	322	LYS	1	0.791	0.903	32.405	-34.150	-34.150	0.000	0.000	0.000	0.000
756	H	323	LEU	0	-0.014	-0.006	28.376	0.538	0.538	0.000	0.000	0.000	0.000
757	H	324	GLU	-1	-0.955	-0.979	27.273	38.379	38.379	0.000	0.000	0.000	0.000
758	H	325	GLY	0	0.013	-0.009	28.617	0.969	0.969	0.000	0.000	0.000	0.000
759	H	326	GLU	-1	-0.900	-0.938	30.376	36.521	36.521	0.000	0.000	0.000	0.000
760	H	327	ARG	1	0.995	0.990	32.364	-30.285	-30.285	0.000	0.000	0.000	0.000
761	H	328	ASP	-1	-0.868	-0.932	33.048	34.319	34.319	0.000	0.000	0.000	0.000
762	H	329	ILE	0	0.008	-0.009	26.972	0.384	0.384	0.000	0.000	0.000	0.000
763	H	330	THR	0	-0.051	-0.026	30.064	0.821	0.821	0.000	0.000	0.000	0.000
764	H	331	ILE	0	0.028	0.012	31.912	-0.097	-0.097	0.000	0.000	0.000	0.000
765	H	332	GLN	0	0.006	0.011	30.074	0.178	0.178	0.000	0.000	0.000	0.000
766	H	333	ASN	0	-0.011	-0.007	27.622	1.164	1.164	0.000	0.000	0.000	0.000
767	H	334	ALA	0	0.031	0.012	29.961	0.097	0.097	0.000	0.000	0.000	0.000
768	H	335	ARG	1	0.820	0.890	33.206	-34.927	-34.927	0.000	0.000	0.000	0.000
769	H	336	ILE	0	-0.019	-0.005	27.690	-0.558	-0.558	0.000	0.000	0.000	0.000
770	H	337	LEU	0	-0.024	-0.003	29.206	0.452	0.452	0.000	0.000	0.000	0.000
771	H	338	ARG	1	0.872	0.929	31.870	-32.436	-32.436	0.000	0.000	0.000	0.000
772	H	339	GLU	-1	-0.835	-0.904	34.606	32.969	32.969	0.000	0.000	0.000	0.000
773	H	340	SER	0	0.021	0.015	34.409	0.932	0.932	0.000	0.000	0.000	0.000
774	H	341	HIS	0	-0.087	-0.099	34.944	0.067	0.067	0.000	0.000	0.000	0.000
775	H	342	TYR	0	0.008	0.024	30.255	-0.483	-0.483	0.000	0.000	0.000	0.000
776	H	343	LYS	1	0.927	0.952	33.250	-31.097	-31.097	0.000	0.000	0.000	0.000
777	H	344	PRO	0	0.013	0.045	31.473	-0.813	-0.813	0.000	0.000	0.000	0.000
778	H	345	ASP	-1	-0.876	-0.934	33.738	32.810	32.810	0.000	0.000	0.000	0.000
779	H	346	GLU	-1	-0.961	-0.992	35.184	32.471	32.471	0.000	0.000	0.000	0.000
780	H	347	ASN	0	-0.033	-0.021	35.891	1.032	1.032	0.000	0.000	0.000	0.000
781	H	348	ASP	-1	-0.810	-0.871	30.189	41.430	41.430	0.000	0.000	0.000	0.000
782	H	349	VAL	0	-0.017	-0.011	27.986	0.341	0.341	0.000	0.000	0.000	0.000
783	H	350	PHE	0	-0.058	-0.038	25.402	1.828	1.828	0.000	0.000	0.000	0.000
784	H	351	HIS	1	0.833	0.901	25.612	-41.266	-41.266	0.000	0.000	0.000	0.000
785	H	352	LEU	0	0.001	0.003	24.989	-1.210	-1.210	0.000	0.000	0.000	0.000
786	H	353	GLU	-1	-0.892	-0.930	28.551	34.880	34.880	0.000	0.000	0.000	0.000
787	H	354	GLN	0	0.004	-0.012	26.795	2.850	2.850	0.000	0.000	0.000	0.000
788	H	355	LYS	1	0.854	0.949	30.575	-34.667	-34.667	0.000	0.000	0.000	0.000
789	H	356	PHE	0	0.094	0.027	28.727	1.064	1.064	0.000	0.000	0.000	0.000
790	H	357	TYR	0	-0.049	-0.037	31.759	-0.679	-0.679	0.000	0.000	0.000	0.000
791	H	358	SER	0	0.015	0.002	34.926	-0.575	-0.575	0.000	0.000	0.000	0.000
792	H	359	ILE	0	-0.009	0.024	30.409	-0.409	-0.409	0.000	0.000	0.000	0.000
793	H	360	LYS	1	0.957	0.986	33.541	-31.273	-31.273	0.000	0.000	0.000	0.000
794	H	361	ALA	0	0.001	0.021	33.810	1.101	1.101	0.000	0.000	0.000	0.000
795	H	362	ALA	0	0.056	0.031	31.991	-0.626	-0.626	0.000	0.000	0.000	0.000
796	H	363	PHE	0	0.026	-0.016	33.936	-0.338	-0.338	0.000	0.000	0.000	0.000
797	H	364	PRO	0	-0.049	-0.027	33.120	0.727	0.727	0.000	0.000	0.000	0.000
798	H	365	THR	0	0.008	0.020	32.800	-1.298	-1.298	0.000	0.000	0.000	0.000
799	H	366	SER	0	-0.017	0.008	32.766	1.012	1.012	0.000	0.000	0.000	0.000
800	H	367	SER	0	0.007	-0.038	33.351	-1.380	-1.380	0.000	0.000	0.000	0.000
801	H	368	GLY	0	0.091	0.035	33.367	0.921	0.921	0.000	0.000	0.000	0.000
802	H	369	GLY	0	-0.044	-0.016	34.572	0.086	0.086	0.000	0.000	0.000	0.000
803	H	370	LEU	0	-0.015	0.013	37.378	-0.515	-0.515	0.000	0.000	0.000	0.000
804	H	371	HIS	0	0.031	0.020	40.019	-0.742	-0.742	0.000	0.000	0.000	0.000
805	H	372	PRO	0	-0.001	-0.009	43.754	0.107	0.107	0.000	0.000	0.000	0.000
806	H	373	GLY	0	0.033	0.002	46.074	-0.348	-0.348	0.000	0.000	0.000	0.000
807	H	374	ASN	0	-0.054	-0.028	40.269	-0.510	-0.510	0.000	0.000	0.000	0.000
808	H	375	ILE	0	0.101	0.042	41.745	0.629	0.629	0.000	0.000	0.000	0.000
809	H	376	GLN	0	0.035	0.027	42.708	-0.118	-0.118	0.000	0.000	0.000	0.000
810	H	377	PRO	0	-0.032	-0.019	41.248	0.060	0.060	0.000	0.000	0.000	0.000
811	H	378	VAL	0	0.001	-0.002	37.914	0.548	0.548	0.000	0.000	0.000	0.000
812	H	379	ILE	0	-0.010	-0.014	40.237	0.368	0.368	0.000	0.000	0.000	0.000
813	H	380	GLU	-1	-0.997	-0.978	42.710	26.683	26.683	0.000	0.000	0.000	0.000
814	H	381	ALA	0	-0.059	-0.024	38.296	0.154	0.154	0.000	0.000	0.000	0.000
815	H	382	LEU	0	-0.003	-0.002	35.336	0.716	0.716	0.000	0.000	0.000	0.000
816	H	383	GLY	0	0.044	0.033	38.995	0.213	0.213	0.000	0.000	0.000	0.000
817	H	384	THR	0	0.027	-0.014	41.945	0.260	0.260	0.000	0.000	0.000	0.000
818	H	385	ASP	-1	-0.875	-0.920	40.118	28.602	28.602	0.000	0.000	0.000	0.000
819	H	386	ILE	0	-0.066	-0.040	37.705	1.013	1.013	0.000	0.000	0.000	0.000
820	H	387	VAL	0	0.024	0.008	36.711	-0.913	-0.913	0.000	0.000	0.000	0.000
821	H	388	LEU	0	-0.031	-0.031	37.411	0.717	0.717	0.000	0.000	0.000	0.000
822	H	389	GLN	0	0.072	0.024	35.915	-1.232	-1.232	0.000	0.000	0.000	0.000
823	H	390	LEU	0	-0.076	-0.027	38.082	0.227	0.227	0.000	0.000	0.000	0.000
824	H	391	GLY	0	0.136	0.078	38.899	-0.604	-0.604	0.000	0.000	0.000	0.000
825	H	392	GLY	0	0.005	-0.015	39.341	-0.898	-0.898	0.000	0.000	0.000	0.000
826	H	393	GLY	0	-0.047	-0.021	41.251	-0.709	-0.709	0.000	0.000	0.000	0.000
827	H	394	THR	0	-0.014	0.024	43.225	-0.787	-0.787	0.000	0.000	0.000	0.000
828	H	395	LEU	0	0.001	-0.010	42.191	-0.756	-0.756	0.000	0.000	0.000	0.000
829	H	396	GLY	0	-0.006	0.015	44.775	-0.467	-0.467	0.000	0.000	0.000	0.000
830	H	397	HIS	0	-0.031	0.000	46.096	-0.362	-0.362	0.000	0.000	0.000	0.000
831	H	398	PRO	0	-0.082	-0.030	49.282	-0.037	-0.037	0.000	0.000	0.000	0.000
832	H	399	ASP	-1	-0.842	-0.953	52.217	21.365	21.365	0.000	0.000	0.000	0.000
833	H	400	GLY	0	0.017	0.016	51.493	-0.286	-0.286	0.000	0.000	0.000	0.000
834	H	401	PRO	0	0.065	0.020	47.538	-0.074	-0.074	0.000	0.000	0.000	0.000
835	H	402	ALA	0	0.016	0.016	49.242	0.132	0.132	0.000	0.000	0.000	0.000
836	H	403	ALA	0	0.034	-0.061	51.852	-0.154	-0.154	0.000	0.000	0.000	0.000
837	H	404	GLY	0	0.007	-0.003	48.906	-0.051	-0.051	0.000	0.000	0.000	0.000
838	H	405	ALA	0	0.002	0.019	48.239	0.326	0.326	0.000	0.000	0.000	0.000
839	H	406	ARG	1	0.847	0.974	49.236	-21.970	-21.970	0.000	0.000	0.000	0.000
840	H	407	ALA	0	-0.050	-0.015	50.201	-0.126	-0.126	0.000	0.000	0.000	0.000
841	H	408	VAL	0	0.019	0.018	45.220	-0.080	-0.080	0.000	0.000	0.000	0.000
842	H	409	ARG	1	0.894	0.948	48.335	-24.046	-24.046	0.000	0.000	0.000	0.000
843	H	410	GLN	0	0.059	-0.003	50.205	-0.036	-0.036	0.000	0.000	0.000	0.000
844	H	411	ALA	0	0.001	-0.003	48.795	-0.114	-0.114	0.000	0.000	0.000	0.000
845	H	412	ILE	0	-0.012	-0.010	45.400	-0.038	-0.038	0.000	0.000	0.000	0.000
846	H	413	ASP	-1	-0.913	-0.956	49.141	22.875	22.875	0.000	0.000	0.000	0.000
847	H	414	ALA	0	-0.083	-0.039	52.424	-0.257	-0.257	0.000	0.000	0.000	0.000
848	H	415	ILE	0	0.020	-0.001	46.799	-0.049	-0.049	0.000	0.000	0.000	0.000
849	H	416	MET	0	-0.060	-0.019	49.149	0.215	0.215	0.000	0.000	0.000	0.000
850	H	417	GLN	0	-0.051	-0.025	51.451	-0.405	-0.405	0.000	0.000	0.000	0.000
851	H	418	GLY	0	-0.037	-0.002	53.269	-0.401	-0.401	0.000	0.000	0.000	0.000
852	H	419	ILE	0	-0.058	-0.033	54.265	-0.137	-0.137	0.000	0.000	0.000	0.000
853	H	420	PRO	0	0.042	0.026	53.734	0.371	0.371	0.000	0.000	0.000	0.000
854	H	421	LEU	0	0.072	0.036	48.888	-0.400	-0.400	0.000	0.000	0.000	0.000
855	H	422	ASP	-1	-0.893	-0.948	53.502	22.678	22.678	0.000	0.000	0.000	0.000
856	H	423	GLU	-1	-0.974	-0.984	55.811	19.688	19.688	0.000	0.000	0.000	0.000
857	H	424	TYR	0	0.055	0.006	55.339	-0.390	-0.390	0.000	0.000	0.000	0.000
858	H	425	ALA	0	-0.005	-0.006	55.465	-0.224	-0.224	0.000	0.000	0.000	0.000
859	H	426	LYS	1	0.920	0.989	57.280	-19.437	-19.437	0.000	0.000	0.000	0.000
860	H	427	THR	0	-0.073	-0.044	60.269	-0.329	-0.329	0.000	0.000	0.000	0.000
861	H	428	HIS	1	0.839	0.911	56.959	-21.050	-21.050	0.000	0.000	0.000	0.000
862	H	429	LYS	1	1.006	1.022	57.298	-19.933	-19.933	0.000	0.000	0.000	0.000
863	H	430	GLU	-1	-0.803	-0.871	53.801	21.456	21.456	0.000	0.000	0.000	0.000
864	H	431	LEU	0	0.078	0.042	51.720	0.365	0.365	0.000	0.000	0.000	0.000
865	H	432	ALA	0	0.016	0.002	53.171	0.336	0.336	0.000	0.000	0.000	0.000
866	H	433	ARG	1	0.807	0.898	54.644	-21.442	-21.442	0.000	0.000	0.000	0.000
867	H	434	ALA	0	-0.003	0.007	49.655	0.240	0.240	0.000	0.000	0.000	0.000
868	H	435	LEU	0	-0.031	-0.027	50.317	0.371	0.371	0.000	0.000	0.000	0.000
869	H	436	GLU	-1	-0.951	-0.958	51.250	21.712	21.712	0.000	0.000	0.000	0.000
870	H	437	LYS	1	0.802	0.919	47.025	-25.077	-25.077	0.000	0.000	0.000	0.000
871	H	438	TRP	0	-0.002	-0.001	44.842	0.194	0.194	0.000	0.000	0.000	0.000
872	H	439	GLY	0	0.044	0.003	47.053	0.358	0.358	0.000	0.000	0.000	0.000
873	H	440	HIS	1	0.775	0.858	46.250	-24.875	-24.875	0.000	0.000	0.000	0.000
874	H	441	VAL	0	-0.014	0.013	43.011	0.435	0.435	0.000	0.000	0.000	0.000
875	H	442	THR	0	0.008	-0.010	37.798	0.151	0.151	0.000	0.000	0.000	0.000
876	H	443	PRO	0	-0.016	0.010	37.327	0.286	0.286	0.000	0.000	0.000	0.000
877	H	444	VAL	0	0.031	0.023	34.256	0.676	0.676	0.000	0.000	0.000	0.000
879	H	600	CAP	-4	-3.303	-3.652	28.208	142.046	142.046	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #878(A:600:CAP)