FMO DATABASE

FMODB ID: VRQY1

Calculation Name: 5C2G-AC-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 5C2G

Chain ID: AC

ChEMBL ID:

UniProt ID: A0A0X1

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	924
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-27851604.749121
FMO2-HF: Nuclear repulsion	27488379.258236
FMO2-HF: Total energy	-363225.490885
FMO2-MP2: Total energy	-364267.959846

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.
-787.334	-759.888	135.894	-81.511	-81.828	-0.650

Interactive mode: IFIE and PIEDA for fragment #923(A:800:CAP)

Summations of interaction energy for fragment #923(A:800: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.
-787.334	-759.888	135.894	-81.511	-81.828	0.65

Interaction energy analysis for fragmet #923(A:800:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.247 / q_NPA : -3.731

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].
167	A	164	ILE	0	0.051	0.014	1.869	-11.424	-9.311	6.538	-3.549	-5.102	0.010
168	A	165	ILE	0	-0.017	0.004	4.603	2.493	2.619	-0.001	-0.010	-0.115	0.000
169	A	166	LYS	1	0.906	0.967	2.187	-227.430	-223.719	5.974	-4.288	-5.398	0.059
171	A	168	LYS	1	0.876	0.947	4.629	-154.540	-154.191	-0.001	-0.090	-0.257	0.000
194	A	191	KCX	-1	-0.521	-0.807	1.517	176.933	156.831	43.047	-15.101	-7.844	-0.109
196	A	193	ASP	0	0.212	0.067	4.300	6.411	6.586	-0.001	-0.054	-0.120	0.000
197	A	194	GLU	0	0.132	-0.061	3.928	-15.562	-15.192	-0.001	-0.100	-0.270	0.000
291	A	287	HIS	0	0.097	0.010	1.728	1.861	1.420	7.960	-3.458	-4.061	0.006
292	A	288	ARG	1	0.788	0.883	1.829	-272.625	-266.691	15.382	-12.174	-9.141	0.179
293	A	289	ALA	0	0.066	0.028	4.691	2.687	2.796	-0.001	-0.016	-0.092	0.000
295	A	291	HIS	1	0.869	0.928	3.241	-181.514	-179.142	0.108	-1.272	-1.208	0.013
325	A	321	HIS	1	0.811	0.923	1.873	-234.333	-228.164	9.587	-8.416	-7.340	0.116
326	A	322	VAL	0	0.007	-0.005	4.797	-6.054	-5.876	-0.001	-0.028	-0.149	0.000
327	A	323	GLY	0	0.033	0.021	3.005	-11.317	-8.958	0.347	-1.442	-1.264	0.013
328	A	324	THR	0	0.012	-0.010	3.948	-25.234	-24.898	0.010	-0.078	-0.267	0.002
333	A	329	LYS	1	0.768	0.893	2.180	-257.837	-254.761	4.551	-3.601	-4.027	0.051
334	A	330	MET	0	-0.015	0.014	2.725	-20.752	-17.176	0.876	-1.735	-2.718	0.020
335	A	331	GLU	-1	-0.896	-0.945	5.736	84.385	84.391	-0.001	-0.003	-0.002	0.000
371	A	367	ILE	0	-0.039	-0.017	5.029	17.852	18.088	-0.001	-0.007	-0.228	0.000
372	A	368	SER	0	-0.032	-0.037	2.497	-11.560	-5.441	2.883	-3.847	-5.155	0.008
373	A	369	GLY	0	0.096	0.056	2.057	7.541	11.362	7.577	-5.700	-5.698	0.027
374	A	370	GLY	0	0.010	0.011	2.092	-42.432	-45.748	6.140	1.096	-3.919	0.051
375	A	371	MET	0	-0.071	-0.023	3.671	-34.973	-34.160	0.038	-0.308	-0.543	0.006
376	A	372	ASN	0	0.049	-0.001	5.018	2.391	2.521	-0.001	-0.004	-0.126	0.000
395	A	391	THR	0	-0.008	-0.004	4.341	-5.984	-5.735	-0.001	-0.028	-0.220	0.000
396	A	392	ALA	0	0.061	0.029	2.912	17.168	19.503	0.280	-1.271	-1.344	0.012
397	A	393	GLY	0	0.002	0.021	2.006	-47.755	-45.731	7.086	-5.285	-3.825	0.076
398	A	394	GLY	0	0.047	0.000	1.922	-50.614	-52.048	8.812	-3.666	-3.712	0.053
399	A	395	GLY	0	-0.047	-0.021	3.711	-30.808	-30.044	0.039	-0.386	-0.416	0.005
519	C	53	THR	0	-0.044	-0.008	1.978	-16.628	-14.447	6.261	-4.845	-3.596	0.053
520	C	54	ASN	0	0.053	0.025	4.174	-4.595	-3.972	0.005	-0.184	-0.445	0.000
521	C	55	VAL	0	-0.060	-0.043	4.812	-15.710	-15.593	-0.001	-0.003	-0.113	0.000
577	C	111	ASN	0	0.056	-0.012	2.363	-3.916	-1.548	2.404	-1.658	-3.113	-0.001
1	A	-2	GLY	0	0.022	0.006	34.917	-0.103	-0.103	0.000	0.000	0.000	0.000
2	A	-1	SER	0	0.033	-0.004	36.572	-0.380	-0.380	0.000	0.000	0.000	0.000
3	A	0	HIS	0	-0.066	-0.021	38.131	-0.142	-0.142	0.000	0.000	0.000	0.000
4	A	1	MET	0	-0.057	-0.014	40.905	-0.860	-0.860	0.000	0.000	0.000	0.000
5	A	2	ASP	-1	-0.732	-0.847	40.069	30.046	30.046	0.000	0.000	0.000	0.000
6	A	3	GLN	0	-0.026	-0.022	37.263	-0.708	-0.708	0.000	0.000	0.000	0.000
7	A	4	SER	0	-0.012	-0.038	38.422	0.561	0.561	0.000	0.000	0.000	0.000
8	A	5	ASN	0	-0.047	-0.029	39.475	0.281	0.281	0.000	0.000	0.000	0.000
9	A	6	ARG	1	0.820	0.917	39.431	-29.504	-29.504	0.000	0.000	0.000	0.000
10	A	7	TYR	0	-0.015	-0.015	34.987	-0.113	-0.113	0.000	0.000	0.000	0.000
11	A	8	ALA	0	-0.024	-0.016	35.252	1.209	1.209	0.000	0.000	0.000	0.000
12	A	9	ASP	-1	-0.826	-0.914	36.639	28.280	28.280	0.000	0.000	0.000	0.000
13	A	10	LEU	0	-0.055	-0.026	35.288	0.525	0.525	0.000	0.000	0.000	0.000
14	A	11	SER	0	-0.042	-0.013	37.593	-0.133	-0.133	0.000	0.000	0.000	0.000
15	A	12	LEU	0	-0.043	-0.007	35.879	-0.186	-0.186	0.000	0.000	0.000	0.000
16	A	13	LYS	1	0.948	0.975	36.388	-28.137	-28.137	0.000	0.000	0.000	0.000
17	A	14	GLU	-1	-0.817	-0.911	28.972	39.607	39.607	0.000	0.000	0.000	0.000
18	A	15	GLU	-1	-0.889	-0.940	32.782	31.844	31.844	0.000	0.000	0.000	0.000
19	A	16	ASP	-1	-0.814	-0.919	34.674	30.179	30.179	0.000	0.000	0.000	0.000
20	A	17	LEU	0	-0.049	-0.025	32.202	0.054	0.054	0.000	0.000	0.000	0.000
21	A	18	ILE	0	-0.047	-0.015	29.298	0.469	0.469	0.000	0.000	0.000	0.000
22	A	19	LYS	1	0.796	0.888	31.873	-32.200	-32.200	0.000	0.000	0.000	0.000
23	A	20	GLY	0	0.000	0.012	34.984	-0.435	-0.435	0.000	0.000	0.000	0.000
24	A	21	GLY	0	-0.019	-0.005	31.891	-0.206	-0.206	0.000	0.000	0.000	0.000
25	A	22	ASN	0	-0.044	-0.031	32.554	0.439	0.439	0.000	0.000	0.000	0.000
26	A	23	HIS	0	0.044	0.012	30.550	0.004	0.004	0.000	0.000	0.000	0.000
27	A	24	ILE	0	-0.012	0.010	24.105	0.688	0.688	0.000	0.000	0.000	0.000
28	A	25	LEU	0	-0.040	-0.003	26.162	-0.722	-0.722	0.000	0.000	0.000	0.000
29	A	26	VAL	0	0.012	0.006	21.714	2.059	2.059	0.000	0.000	0.000	0.000
30	A	27	ALA	0	0.012	0.017	22.618	-1.877	-1.877	0.000	0.000	0.000	0.000
31	A	28	TYR	0	0.035	-0.007	21.653	2.762	2.762	0.000	0.000	0.000	0.000
32	A	29	THR	0	-0.006	0.001	20.187	-1.664	-1.664	0.000	0.000	0.000	0.000
33	A	30	MET	0	-0.038	-0.014	23.018	0.622	0.622	0.000	0.000	0.000	0.000
34	A	31	GLU	-1	-0.866	-0.922	25.650	41.433	41.433	0.000	0.000	0.000	0.000
35	A	32	PRO	0	0.032	0.007	27.674	0.627	0.627	0.000	0.000	0.000	0.000
36	A	33	ALA	0	-0.008	0.009	30.755	0.184	0.184	0.000	0.000	0.000	0.000
37	A	34	ALA	0	0.012	-0.016	32.159	-0.735	-0.735	0.000	0.000	0.000	0.000
38	A	35	GLY	0	-0.053	-0.030	35.099	-0.418	-0.418	0.000	0.000	0.000	0.000
39	A	36	VAL	0	-0.016	0.013	34.449	-0.819	-0.819	0.000	0.000	0.000	0.000
40	A	37	GLY	0	0.033	0.024	35.464	0.461	0.461	0.000	0.000	0.000	0.000
41	A	38	TYR	0	0.024	-0.008	27.933	0.346	0.346	0.000	0.000	0.000	0.000
42	A	39	LEU	0	-0.003	-0.012	33.444	0.714	0.714	0.000	0.000	0.000	0.000
43	A	40	GLU	-1	-0.900	-0.945	35.369	30.350	30.350	0.000	0.000	0.000	0.000
44	A	41	ALA	0	0.007	0.008	31.448	0.211	0.211	0.000	0.000	0.000	0.000
45	A	42	ALA	0	-0.007	-0.011	30.700	0.732	0.732	0.000	0.000	0.000	0.000
46	A	43	ALA	0	0.002	0.000	31.730	0.475	0.475	0.000	0.000	0.000	0.000
47	A	44	HIS	0	-0.039	-0.021	33.215	-0.311	-0.311	0.000	0.000	0.000	0.000
48	A	45	ILE	0	0.051	0.006	27.168	0.388	0.388	0.000	0.000	0.000	0.000
49	A	46	ALA	0	-0.011	0.013	29.686	0.731	0.731	0.000	0.000	0.000	0.000
50	A	47	ALA	0	0.032	0.027	31.203	0.093	0.093	0.000	0.000	0.000	0.000
51	A	48	GLU	-1	-0.800	-0.903	30.213	34.864	34.864	0.000	0.000	0.000	0.000
52	A	49	SER	0	-0.063	-0.015	27.317	1.381	1.381	0.000	0.000	0.000	0.000
53	A	50	SER	0	-0.048	-0.050	28.842	0.143	0.143	0.000	0.000	0.000	0.000
54	A	51	THR	0	-0.019	-0.057	31.546	0.040	0.040	0.000	0.000	0.000	0.000
55	A	52	GLY	0	-0.053	-0.023	34.655	-1.024	-1.024	0.000	0.000	0.000	0.000
56	A	53	THR	0	-0.045	-0.032	34.577	0.976	0.976	0.000	0.000	0.000	0.000
57	A	54	ASN	0	0.035	0.016	36.424	-0.446	-0.446	0.000	0.000	0.000	0.000
58	A	55	VAL	0	-0.057	-0.034	37.930	-0.678	-0.678	0.000	0.000	0.000	0.000
59	A	56	GLU	-1	-0.921	-0.959	41.174	25.905	25.905	0.000	0.000	0.000	0.000
60	A	57	VAL	0	-0.007	-0.012	41.439	-0.124	-0.124	0.000	0.000	0.000	0.000
61	A	58	SER	0	-0.006	-0.015	44.376	-0.106	-0.106	0.000	0.000	0.000	0.000
62	A	59	THR	0	-0.068	-0.096	42.845	-0.350	-0.350	0.000	0.000	0.000	0.000
63	A	60	THR	0	-0.045	-0.008	42.582	0.511	0.511	0.000	0.000	0.000	0.000
64	A	61	ASP	-1	-0.851	-0.867	43.833	26.228	26.228	0.000	0.000	0.000	0.000
65	A	62	GLU	-1	-0.861	-0.970	44.288	25.596	25.596	0.000	0.000	0.000	0.000
66	A	63	PHE	0	-0.077	-0.032	40.257	0.117	0.117	0.000	0.000	0.000	0.000
67	A	64	THR	0	-0.017	-0.072	38.994	0.582	0.582	0.000	0.000	0.000	0.000
68	A	65	LYS	1	0.925	0.964	39.027	-25.335	-25.335	0.000	0.000	0.000	0.000
69	A	66	GLY	0	-0.048	0.003	39.558	0.311	0.311	0.000	0.000	0.000	0.000
70	A	67	VAL	0	-0.065	-0.035	35.287	0.467	0.467	0.000	0.000	0.000	0.000
71	A	68	ASP	-1	-0.713	-0.805	34.604	31.262	31.262	0.000	0.000	0.000	0.000
72	A	69	ALA	0	-0.029	-0.011	30.780	0.233	0.233	0.000	0.000	0.000	0.000
73	A	70	LEU	0	-0.012	-0.001	32.642	-0.599	-0.599	0.000	0.000	0.000	0.000
74	A	71	VAL	0	0.006	0.003	31.373	1.146	1.146	0.000	0.000	0.000	0.000
75	A	72	TYR	0	-0.021	-0.020	28.696	-0.521	-0.521	0.000	0.000	0.000	0.000
76	A	73	PHE	0	-0.027	-0.029	29.360	-0.384	-0.384	0.000	0.000	0.000	0.000
77	A	74	ILE	0	0.018	0.000	30.989	0.993	0.993	0.000	0.000	0.000	0.000
78	A	75	ASP	-1	-0.887	-0.945	29.742	35.766	35.766	0.000	0.000	0.000	0.000
79	A	76	GLU	-1	-0.897	-0.956	30.226	33.960	33.960	0.000	0.000	0.000	0.000
80	A	77	ALA	0	-0.047	-0.013	31.274	0.508	0.508	0.000	0.000	0.000	0.000
81	A	78	LYS	1	0.877	0.930	27.223	-38.552	-38.552	0.000	0.000	0.000	0.000
82	A	79	GLY	0	0.037	0.041	26.421	1.607	1.607	0.000	0.000	0.000	0.000
83	A	80	ILE	0	-0.058	-0.030	23.789	1.851	1.851	0.000	0.000	0.000	0.000
84	A	81	MET	0	0.008	0.016	26.305	-1.872	-1.872	0.000	0.000	0.000	0.000
85	A	82	LYS	1	0.899	0.965	26.264	-39.000	-39.000	0.000	0.000	0.000	0.000
86	A	83	VAL	0	0.005	0.007	27.176	-1.462	-1.462	0.000	0.000	0.000	0.000
87	A	84	ALA	0	-0.005	-0.005	27.888	1.263	1.263	0.000	0.000	0.000	0.000
88	A	85	TYR	0	0.025	-0.009	25.901	-1.169	-1.169	0.000	0.000	0.000	0.000
89	A	86	PRO	0	0.036	0.025	29.731	0.623	0.623	0.000	0.000	0.000	0.000
90	A	87	ASN	0	0.046	-0.006	29.852	1.359	1.359	0.000	0.000	0.000	0.000
91	A	88	ASP	-1	-0.946	-0.974	30.731	33.071	33.071	0.000	0.000	0.000	0.000
92	A	89	LEU	0	-0.060	-0.020	30.296	-0.294	-0.294	0.000	0.000	0.000	0.000
93	A	90	PHE	0	-0.023	-0.006	25.003	0.378	0.378	0.000	0.000	0.000	0.000
94	A	91	ASP	-1	-0.734	-0.882	27.503	36.758	36.758	0.000	0.000	0.000	0.000
95	A	92	ARG	1	0.857	0.923	27.965	-35.580	-35.580	0.000	0.000	0.000	0.000
96	A	93	ASN	0	-0.032	-0.013	26.275	-0.466	-0.466	0.000	0.000	0.000	0.000
97	A	94	VAL	0	-0.055	-0.050	30.099	-1.108	-1.108	0.000	0.000	0.000	0.000
98	A	95	THR	0	-0.073	-0.030	30.464	-0.708	-0.708	0.000	0.000	0.000	0.000
99	A	96	ASP	-1	-0.758	-0.892	28.910	38.997	38.997	0.000	0.000	0.000	0.000
100	A	97	GLY	0	-0.024	-0.002	31.735	0.053	0.053	0.000	0.000	0.000	0.000
101	A	98	ARG	1	0.830	0.928	26.438	-38.806	-38.806	0.000	0.000	0.000	0.000
102	A	99	VAL	0	-0.008	-0.004	24.331	-0.740	-0.740	0.000	0.000	0.000	0.000
103	A	100	MET	0	-0.035	0.011	22.915	1.170	1.170	0.000	0.000	0.000	0.000
104	A	101	ILE	0	0.006	-0.013	16.977	-0.783	-0.783	0.000	0.000	0.000	0.000
105	A	102	VAL	0	0.036	0.015	20.144	0.515	0.515	0.000	0.000	0.000	0.000
106	A	103	SER	0	0.010	0.027	21.028	-1.169	-1.169	0.000	0.000	0.000	0.000
107	A	104	PHE	0	-0.002	-0.017	18.267	-0.966	-0.966	0.000	0.000	0.000	0.000
108	A	105	LEU	0	-0.012	-0.011	16.344	0.083	0.083	0.000	0.000	0.000	0.000
109	A	106	THR	0	-0.021	-0.008	20.345	0.321	0.321	0.000	0.000	0.000	0.000
110	A	107	LEU	0	-0.015	-0.010	23.428	-0.916	-0.916	0.000	0.000	0.000	0.000
111	A	108	CYS	0	-0.039	-0.009	22.018	-0.807	-0.807	0.000	0.000	0.000	0.000
112	A	109	ILE	0	-0.082	-0.019	18.042	0.752	0.752	0.000	0.000	0.000	0.000
113	A	110	GLY	0	0.097	0.049	20.599	1.803	1.803	0.000	0.000	0.000	0.000
114	A	111	ASN	0	0.050	-0.012	22.975	1.834	1.834	0.000	0.000	0.000	0.000
115	A	112	ASN	0	-0.011	-0.035	23.479	0.831	0.831	0.000	0.000	0.000	0.000
116	A	113	GLN	0	0.014	-0.005	20.200	1.864	1.864	0.000	0.000	0.000	0.000
117	A	114	GLY	0	-0.030	-0.019	23.452	0.913	0.913	0.000	0.000	0.000	0.000
118	A	115	MET	0	-0.010	0.052	26.242	-1.403	-1.403	0.000	0.000	0.000	0.000
119	A	116	GLY	0	0.024	0.012	29.088	0.623	0.623	0.000	0.000	0.000	0.000
120	A	117	ASP	-1	-0.875	-0.938	31.570	35.050	35.050	0.000	0.000	0.000	0.000
121	A	118	ILE	0	-0.024	-0.017	26.662	-0.197	-0.197	0.000	0.000	0.000	0.000
122	A	119	ALA	0	0.020	0.030	27.410	0.602	0.602	0.000	0.000	0.000	0.000
123	A	120	ASN	0	-0.139	-0.084	22.246	2.159	2.159	0.000	0.000	0.000	0.000
124	A	121	LEU	0	0.050	0.019	22.294	-1.466	-1.466	0.000	0.000	0.000	0.000
125	A	122	GLN	0	-0.023	0.011	14.836	0.376	0.376	0.000	0.000	0.000	0.000
126	A	123	MET	0	0.007	0.018	17.690	-0.873	-0.873	0.000	0.000	0.000	0.000
127	A	124	GLN	0	0.001	-0.025	17.022	3.442	3.442	0.000	0.000	0.000	0.000
128	A	125	ASP	-1	-0.781	-0.921	17.534	56.964	56.964	0.000	0.000	0.000	0.000
129	A	126	PHE	0	-0.008	-0.010	16.530	-1.687	-1.687	0.000	0.000	0.000	0.000
130	A	127	TYR	0	0.010	0.014	21.255	0.841	0.841	0.000	0.000	0.000	0.000
131	A	128	VAL	0	0.019	0.003	21.689	-0.840	-0.840	0.000	0.000	0.000	0.000
132	A	129	PRO	0	0.032	0.036	24.633	-0.133	-0.133	0.000	0.000	0.000	0.000
133	A	130	PRO	0	0.056	0.005	27.600	0.632	0.632	0.000	0.000	0.000	0.000
134	A	131	ARG	1	0.936	0.975	28.983	-34.390	-34.390	0.000	0.000	0.000	0.000
135	A	132	MET	0	0.031	0.013	26.377	-0.511	-0.511	0.000	0.000	0.000	0.000
136	A	133	LEU	0	-0.001	0.013	22.710	0.956	0.956	0.000	0.000	0.000	0.000
137	A	134	GLN	0	-0.047	-0.031	25.361	-0.021	-0.021	0.000	0.000	0.000	0.000
138	A	135	LEU	0	-0.075	-0.026	27.320	-0.732	-0.732	0.000	0.000	0.000	0.000
139	A	136	PHE	0	0.041	0.019	21.419	0.245	0.245	0.000	0.000	0.000	0.000
140	A	137	ASP	-1	-0.824	-0.887	21.249	46.682	46.682	0.000	0.000	0.000	0.000
141	A	138	GLY	0	0.012	0.015	19.944	-1.002	-1.002	0.000	0.000	0.000	0.000
142	A	139	PRO	0	-0.002	0.003	17.172	-0.523	-0.523	0.000	0.000	0.000	0.000
143	A	140	ALA	0	-0.013	-0.009	19.283	-2.524	-2.524	0.000	0.000	0.000	0.000
144	A	141	LYS	1	0.850	0.930	19.155	-53.021	-53.021	0.000	0.000	0.000	0.000
145	A	142	ASP	-1	-0.774	-0.861	17.004	58.370	58.370	0.000	0.000	0.000	0.000
146	A	143	ILE	0	0.045	0.014	14.397	-0.683	-0.683	0.000	0.000	0.000	0.000
147	A	144	SER	0	-0.054	-0.047	17.085	-1.589	-1.589	0.000	0.000	0.000	0.000
148	A	145	ASP	-1	-0.826	-0.936	20.133	50.507	50.507	0.000	0.000	0.000	0.000
149	A	146	LEU	0	0.011	0.008	14.795	-0.995	-0.995	0.000	0.000	0.000	0.000
150	A	147	TRP	0	-0.039	-0.005	17.658	-2.176	-2.176	0.000	0.000	0.000	0.000
151	A	148	ARG	1	0.890	0.947	21.142	-49.060	-49.060	0.000	0.000	0.000	0.000
152	A	149	ILE	0	-0.008	0.012	19.957	-1.584	-1.584	0.000	0.000	0.000	0.000
153	A	150	LEU	0	-0.071	-0.037	17.324	-0.781	-0.781	0.000	0.000	0.000	0.000
154	A	151	GLY	0	0.003	0.018	21.846	-0.693	-0.693	0.000	0.000	0.000	0.000
155	A	152	ARG	1	0.811	0.905	17.445	-62.513	-62.513	0.000	0.000	0.000	0.000
156	A	153	PRO	0	0.006	-0.006	24.535	-0.584	-0.584	0.000	0.000	0.000	0.000
157	A	154	VAL	0	0.027	0.006	23.534	1.719	1.719	0.000	0.000	0.000	0.000
158	A	155	LYS	1	0.896	0.952	23.356	-47.433	-47.433	0.000	0.000	0.000	0.000
159	A	156	ASP	-1	-0.882	-0.952	21.322	50.237	50.237	0.000	0.000	0.000	0.000
160	A	157	GLY	0	0.027	0.007	21.307	-0.870	-0.870	0.000	0.000	0.000	0.000
161	A	158	GLY	0	-0.054	-0.014	18.841	0.163	0.163	0.000	0.000	0.000	0.000
162	A	159	TYR	0	0.017	-0.005	10.182	0.700	0.700	0.000	0.000	0.000	0.000
163	A	160	ILE	0	-0.032	-0.009	13.357	-3.436	-3.436	0.000	0.000	0.000	0.000
164	A	161	SER	0	-0.020	-0.001	11.504	5.885	5.885	0.000	0.000	0.000	0.000
165	A	162	GLY	0	0.065	-0.009	9.536	-5.568	-5.568	0.000	0.000	0.000	0.000
166	A	163	THR	0	-0.053	-0.037	6.029	8.972	8.972	0.000	0.000	0.000	0.000
170	A	167	PRO	0	0.030	0.076	7.113	-8.199	-8.199	0.000	0.000	0.000	0.000
172	A	169	LEU	0	-0.015	-0.008	7.253	-5.747	-5.747	0.000	0.000	0.000	0.000
173	A	170	GLY	0	0.067	0.012	10.795	-0.174	-0.174	0.000	0.000	0.000	0.000
174	A	171	LEU	0	-0.027	0.015	11.781	-4.687	-4.687	0.000	0.000	0.000	0.000
175	A	172	ARG	1	0.933	0.975	14.671	-55.095	-55.095	0.000	0.000	0.000	0.000
176	A	173	PRO	0	0.036	-0.004	17.047	1.492	1.492	0.000	0.000	0.000	0.000
177	A	174	GLU	-1	-0.898	-0.949	17.933	48.363	48.363	0.000	0.000	0.000	0.000
178	A	175	PRO	0	-0.037	-0.023	16.640	0.824	0.824	0.000	0.000	0.000	0.000
179	A	176	PHE	0	0.031	0.019	10.871	2.385	2.385	0.000	0.000	0.000	0.000
180	A	177	ALA	0	0.031	0.017	14.151	2.927	2.927	0.000	0.000	0.000	0.000
181	A	178	LYS	1	0.931	0.977	16.662	-58.613	-58.613	0.000	0.000	0.000	0.000
182	A	179	ALA	0	-0.002	-0.006	11.793	-0.016	-0.016	0.000	0.000	0.000	0.000
183	A	180	ALA	0	0.030	0.022	12.589	3.407	3.407	0.000	0.000	0.000	0.000
184	A	181	TYR	0	-0.057	-0.055	13.573	0.624	0.624	0.000	0.000	0.000	0.000
185	A	182	GLN	0	-0.010	-0.017	14.000	-4.685	-4.685	0.000	0.000	0.000	0.000
186	A	183	PHE	0	0.010	0.029	9.645	-0.517	-0.517	0.000	0.000	0.000	0.000
187	A	184	TRP	0	0.044	0.012	13.403	-1.652	-1.652	0.000	0.000	0.000	0.000
188	A	185	LEU	0	-0.041	-0.011	15.746	-2.485	-2.485	0.000	0.000	0.000	0.000
189	A	186	GLY	0	-0.046	-0.018	15.969	-2.686	-2.686	0.000	0.000	0.000	0.000
190	A	187	GLY	0	-0.030	-0.013	13.191	0.188	0.188	0.000	0.000	0.000	0.000
191	A	188	ASP	-1	-0.777	-0.889	13.813	65.494	65.494	0.000	0.000	0.000	0.000
192	A	189	PHE	0	-0.004	-0.012	8.473	-2.347	-2.347	0.000	0.000	0.000	0.000
193	A	190	ILE	0	0.011	0.026	8.857	7.203	7.203	0.000	0.000	0.000	0.000
195	A	192	ASN	0	0.028	0.019	7.078	-0.628	-0.628	0.000	0.000	0.000	0.000
199	A	195	PRO	0	-0.041	0.011	5.558	-9.623	-9.623	0.000	0.000	0.000	0.000
200	A	196	GLN	0	-0.106	-0.059	8.144	-10.565	-10.565	0.000	0.000	0.000	0.000
201	A	197	GLY	0	0.042	0.010	10.585	0.864	0.864	0.000	0.000	0.000	0.000
202	A	198	ASN	0	-0.074	-0.033	13.619	-2.329	-2.329	0.000	0.000	0.000	0.000
203	A	199	GLN	0	0.053	0.033	12.919	-3.631	-3.631	0.000	0.000	0.000	0.000
204	A	200	VAL	0	0.015	0.005	17.456	-1.313	-1.313	0.000	0.000	0.000	0.000
205	A	201	PHE	0	-0.028	0.000	14.490	-2.275	-2.275	0.000	0.000	0.000	0.000
206	A	202	CYS	0	-0.096	-0.069	14.879	-0.731	-0.731	0.000	0.000	0.000	0.000
207	A	203	PRO	0	0.050	0.047	17.257	1.065	1.065	0.000	0.000	0.000	0.000
208	A	204	ILE	0	0.112	0.045	16.586	-0.532	-0.532	0.000	0.000	0.000	0.000
209	A	205	LYS	1	0.876	0.942	18.926	-44.883	-44.883	0.000	0.000	0.000	0.000
210	A	206	LYS	1	0.911	0.959	21.437	-46.396	-46.396	0.000	0.000	0.000	0.000
211	A	207	VAL	0	0.029	0.020	15.650	-1.127	-1.127	0.000	0.000	0.000	0.000
212	A	208	LEU	0	0.028	0.025	16.385	0.986	0.986	0.000	0.000	0.000	0.000
213	A	209	PRO	0	0.012	-0.007	18.786	0.312	0.312	0.000	0.000	0.000	0.000
214	A	210	LEU	0	0.026	0.021	19.705	-0.451	-0.451	0.000	0.000	0.000	0.000
215	A	211	VAL	0	-0.024	-0.012	14.894	0.518	0.518	0.000	0.000	0.000	0.000
216	A	212	TYR	0	-0.010	-0.010	17.646	-0.023	-0.023	0.000	0.000	0.000	0.000
217	A	213	ASP	-1	-0.905	-0.950	20.133	45.194	45.194	0.000	0.000	0.000	0.000
218	A	214	SER	0	-0.088	-0.062	17.804	-1.763	-1.763	0.000	0.000	0.000	0.000
219	A	215	LEU	0	-0.031	0.004	16.758	0.263	0.263	0.000	0.000	0.000	0.000
220	A	216	LYS	1	0.952	0.969	19.131	-44.519	-44.519	0.000	0.000	0.000	0.000
221	A	217	ARG	1	0.923	0.989	22.135	-48.593	-48.593	0.000	0.000	0.000	0.000
222	A	218	ALA	0	0.024	0.003	19.251	-0.847	-0.847	0.000	0.000	0.000	0.000
223	A	219	GLN	0	0.002	0.024	20.920	0.944	0.944	0.000	0.000	0.000	0.000
224	A	220	ASP	-1	-0.938	-0.959	22.862	42.024	42.024	0.000	0.000	0.000	0.000
225	A	221	GLU	-1	-0.884	-0.932	23.986	46.237	46.237	0.000	0.000	0.000	0.000
226	A	222	THR	0	-0.075	-0.050	20.585	-0.149	-0.149	0.000	0.000	0.000	0.000
227	A	223	GLY	0	0.003	0.011	23.965	-0.667	-0.667	0.000	0.000	0.000	0.000
228	A	224	GLN	0	-0.108	-0.049	21.488	1.358	1.358	0.000	0.000	0.000	0.000
229	A	225	ALA	0	0.038	0.016	21.451	0.398	0.398	0.000	0.000	0.000	0.000
230	A	226	LYS	1	0.842	0.933	16.641	-58.993	-58.993	0.000	0.000	0.000	0.000
231	A	227	LEU	0	0.010	-0.004	14.397	-1.369	-1.369	0.000	0.000	0.000	0.000
232	A	228	PHE	0	0.020	0.001	11.290	3.778	3.778	0.000	0.000	0.000	0.000
233	A	229	SER	0	0.007	0.019	9.333	-2.457	-2.457	0.000	0.000	0.000	0.000
234	A	230	MET	0	-0.008	-0.002	9.959	4.083	4.083	0.000	0.000	0.000	0.000
235	A	231	ASN	0	0.043	0.042	9.011	-1.504	-1.504	0.000	0.000	0.000	0.000
236	A	232	ILE	0	-0.041	-0.019	10.841	-4.205	-4.205	0.000	0.000	0.000	0.000
237	A	233	THR	0	0.019	-0.007	10.621	-3.705	-3.705	0.000	0.000	0.000	0.000
238	A	234	ALA	0	0.015	-0.017	13.508	-0.655	-0.655	0.000	0.000	0.000	0.000
239	A	235	ASP	-1	-0.821	-0.909	16.748	56.925	56.925	0.000	0.000	0.000	0.000
240	A	236	ASP	-1	-0.809	-0.901	19.485	43.820	43.820	0.000	0.000	0.000	0.000
241	A	237	HIS	0	0.033	0.006	20.993	-0.007	-0.007	0.000	0.000	0.000	0.000
242	A	238	TYR	0	0.047	-0.001	22.075	0.430	0.430	0.000	0.000	0.000	0.000
243	A	239	GLU	-1	-0.750	-0.852	19.198	50.961	50.961	0.000	0.000	0.000	0.000
244	A	240	MET	0	-0.057	-0.024	15.558	0.503	0.503	0.000	0.000	0.000	0.000
245	A	241	CYS	0	0.005	-0.001	19.097	1.182	1.182	0.000	0.000	0.000	0.000
246	A	242	ALA	0	0.021	0.042	21.909	-0.661	-0.661	0.000	0.000	0.000	0.000
247	A	243	ARG	1	0.730	0.839	14.904	-61.809	-61.809	0.000	0.000	0.000	0.000
248	A	244	ALA	0	0.027	0.016	18.688	0.634	0.634	0.000	0.000	0.000	0.000
249	A	245	ASP	-1	-0.848	-0.898	19.545	44.760	44.760	0.000	0.000	0.000	0.000
250	A	246	PHE	0	0.000	-0.009	20.498	-0.809	-0.809	0.000	0.000	0.000	0.000
251	A	247	ALA	0	0.014	0.008	18.150	-0.417	-0.417	0.000	0.000	0.000	0.000
252	A	248	LEU	0	-0.014	-0.007	20.005	-0.116	-0.116	0.000	0.000	0.000	0.000
253	A	249	GLU	-1	-0.968	-0.975	22.264	39.221	39.221	0.000	0.000	0.000	0.000
254	A	250	THR	0	-0.095	-0.065	21.756	-1.099	-1.099	0.000	0.000	0.000	0.000
255	A	251	PHE	0	-0.005	-0.020	17.086	0.259	0.259	0.000	0.000	0.000	0.000
256	A	252	GLY	0	0.041	0.035	22.827	-0.614	-0.614	0.000	0.000	0.000	0.000
257	A	253	PRO	0	-0.074	-0.040	25.751	0.254	0.254	0.000	0.000	0.000	0.000
258	A	254	ASP	-1	-0.783	-0.876	22.097	47.149	47.149	0.000	0.000	0.000	0.000
259	A	255	ALA	0	0.027	0.012	21.523	2.634	2.634	0.000	0.000	0.000	0.000
260	A	256	ASP	-1	-0.913	-0.956	20.712	51.109	51.109	0.000	0.000	0.000	0.000
261	A	257	LYS	1	0.751	0.857	18.760	-48.221	-48.221	0.000	0.000	0.000	0.000
262	A	258	VAL	0	-0.035	-0.003	15.887	3.818	3.818	0.000	0.000	0.000	0.000
263	A	259	ALA	0	-0.048	-0.025	12.608	-1.140	-1.140	0.000	0.000	0.000	0.000
264	A	260	PHE	0	0.016	0.004	13.345	0.745	0.745	0.000	0.000	0.000	0.000
265	A	261	LEU	0	-0.038	-0.031	5.530	1.541	1.541	0.000	0.000	0.000	0.000
266	A	262	VAL	0	0.015	-0.001	10.130	-4.134	-4.134	0.000	0.000	0.000	0.000
267	A	263	ASP	-1	-0.807	-0.921	7.498	111.459	111.459	0.000	0.000	0.000	0.000
268	A	264	GLY	0	-0.015	-0.013	9.440	-6.067	-6.067	0.000	0.000	0.000	0.000
269	A	265	PHE	0	-0.064	-0.014	8.314	-3.788	-3.788	0.000	0.000	0.000	0.000
270	A	266	VAL	0	0.012	-0.001	9.684	-5.518	-5.518	0.000	0.000	0.000	0.000
271	A	267	GLY	0	0.023	0.004	11.912	-5.446	-5.446	0.000	0.000	0.000	0.000
272	A	268	GLY	0	0.017	0.004	13.216	-5.159	-5.159	0.000	0.000	0.000	0.000
273	A	269	PRO	0	-0.002	-0.024	15.067	1.139	1.139	0.000	0.000	0.000	0.000
274	A	270	GLY	0	0.018	0.029	16.715	-1.022	-1.022	0.000	0.000	0.000	0.000
275	A	271	MET	0	-0.026	0.006	15.373	-0.019	-0.019	0.000	0.000	0.000	0.000
276	A	272	VAL	0	-0.006	0.002	13.009	0.504	0.504	0.000	0.000	0.000	0.000
277	A	273	THR	0	0.047	0.004	15.728	-0.050	-0.050	0.000	0.000	0.000	0.000
278	A	274	THR	0	0.004	0.011	19.151	-3.061	-3.061	0.000	0.000	0.000	0.000
279	A	275	ALA	0	0.024	0.011	16.316	-1.605	-1.605	0.000	0.000	0.000	0.000
280	A	276	ARG	1	0.798	0.909	18.101	-53.551	-53.551	0.000	0.000	0.000	0.000
281	A	277	ARG	1	0.746	0.835	19.678	-46.044	-46.044	0.000	0.000	0.000	0.000
282	A	278	GLN	0	-0.050	-0.016	22.300	-2.041	-2.041	0.000	0.000	0.000	0.000
283	A	279	TYR	0	-0.036	-0.060	19.763	-0.629	-0.629	0.000	0.000	0.000	0.000
284	A	280	PRO	0	0.024	0.028	20.328	2.038	2.038	0.000	0.000	0.000	0.000
285	A	281	SER	0	-0.071	-0.050	21.600	0.877	0.877	0.000	0.000	0.000	0.000
286	A	282	GLN	0	-0.024	-0.007	17.924	-2.454	-2.454	0.000	0.000	0.000	0.000
287	A	283	TYR	0	-0.022	-0.012	12.149	2.494	2.494	0.000	0.000	0.000	0.000
288	A	284	LEU	0	0.029	0.012	13.223	2.027	2.027	0.000	0.000	0.000	0.000
289	A	285	HIS	0	-0.010	-0.029	6.595	11.346	11.346	0.000	0.000	0.000	0.000
290	A	286	TYR	0	0.040	0.017	7.334	1.811	1.811	0.000	0.000	0.000	0.000
294	A	290	GLY	0	0.071	0.031	5.441	-12.978	-12.978	0.000	0.000	0.000	0.000
296	A	292	GLY	0	-0.007	-0.004	7.040	-6.792	-6.792	0.000	0.000	0.000	0.000
297	A	293	MET	0	-0.023	0.005	8.321	-8.889	-8.889	0.000	0.000	0.000	0.000
298	A	294	VAL	0	-0.019	-0.011	11.083	-5.534	-5.534	0.000	0.000	0.000	0.000
299	A	295	THR	0	-0.016	-0.002	8.231	1.664	1.664	0.000	0.000	0.000	0.000
300	A	296	SER	0	-0.054	-0.006	9.780	-1.530	-1.530	0.000	0.000	0.000	0.000
301	A	297	PRO	0	0.017	0.004	9.883	-5.423	-5.423	0.000	0.000	0.000	0.000
302	A	298	SER	0	-0.016	-0.007	13.100	-5.897	-5.897	0.000	0.000	0.000	0.000
303	A	299	SER	0	-0.119	-0.055	13.926	-5.301	-5.301	0.000	0.000	0.000	0.000
304	A	300	LYS	1	0.990	0.993	15.646	-49.871	-49.871	0.000	0.000	0.000	0.000
305	A	301	ARG	1	0.892	0.956	17.267	-52.535	-52.535	0.000	0.000	0.000	0.000
306	A	302	GLY	0	0.069	0.029	15.989	3.951	3.951	0.000	0.000	0.000	0.000
307	A	303	TYR	0	-0.004	-0.011	11.549	-1.079	-1.079	0.000	0.000	0.000	0.000
308	A	304	THR	0	0.074	0.044	12.478	5.637	5.637	0.000	0.000	0.000	0.000
309	A	305	ALA	0	0.022	-0.009	7.875	1.128	1.128	0.000	0.000	0.000	0.000
310	A	306	PHE	0	0.011	0.003	9.497	2.050	2.050	0.000	0.000	0.000	0.000
311	A	307	VAL	0	0.029	0.014	12.224	-1.482	-1.482	0.000	0.000	0.000	0.000
312	A	308	LEU	0	-0.011	-0.003	7.255	-0.856	-0.856	0.000	0.000	0.000	0.000
313	A	309	ALA	0	0.030	0.013	9.354	-0.847	-0.847	0.000	0.000	0.000	0.000
314	A	310	LYS	1	0.854	0.943	10.691	-57.534	-57.534	0.000	0.000	0.000	0.000
315	A	311	MET	0	-0.010	-0.004	13.432	-4.538	-4.538	0.000	0.000	0.000	0.000
316	A	312	SER	0	-0.034	-0.025	11.023	-1.734	-1.734	0.000	0.000	0.000	0.000
317	A	313	ARG	1	0.834	0.915	13.114	-60.417	-60.417	0.000	0.000	0.000	0.000
318	A	314	LEU	0	-0.023	-0.019	15.552	-2.981	-2.981	0.000	0.000	0.000	0.000
319	A	315	GLN	0	-0.003	-0.014	14.067	0.409	0.409	0.000	0.000	0.000	0.000
320	A	316	GLY	0	0.012	0.019	16.661	-1.914	-1.914	0.000	0.000	0.000	0.000
321	A	317	ALA	0	-0.017	-0.013	12.025	-0.102	-0.102	0.000	0.000	0.000	0.000
322	A	318	SER	0	0.006	0.017	14.145	-1.816	-1.816	0.000	0.000	0.000	0.000
323	A	319	GLY	0	0.004	-0.005	11.253	-1.557	-1.557	0.000	0.000	0.000	0.000
324	A	320	ILE	0	-0.008	0.001	6.819	0.760	0.760	0.000	0.000	0.000	0.000
329	A	325	MET	0	-0.024	0.007	6.679	-16.096	-16.096	0.000	0.000	0.000	0.000
330	A	326	GLY	0	0.015	0.018	8.221	-9.410	-9.410	0.000	0.000	0.000	0.000
331	A	327	TYR	0	-0.067	-0.035	9.585	-7.819	-7.819	0.000	0.000	0.000	0.000
332	A	328	GLY	0	0.011	-0.012	7.391	0.960	0.960	0.000	0.000	0.000	0.000
336	A	332	GLY	0	0.010	0.000	6.609	8.195	8.195	0.000	0.000	0.000	0.000
337	A	333	GLY	0	-0.020	-0.013	8.225	-5.339	-5.339	0.000	0.000	0.000	0.000
338	A	334	LYS	1	0.960	0.971	11.309	-67.428	-67.428	0.000	0.000	0.000	0.000
339	A	335	ASP	-1	-0.856	-0.929	13.668	62.716	62.716	0.000	0.000	0.000	0.000
340	A	336	ASP	-1	-0.831	-0.925	9.034	96.562	96.562	0.000	0.000	0.000	0.000
341	A	337	ARG	1	0.903	0.945	11.302	-61.397	-61.397	0.000	0.000	0.000	0.000
342	A	338	ILE	0	-0.029	-0.009	13.232	-1.291	-1.291	0.000	0.000	0.000	0.000
343	A	339	ILE	0	0.002	-0.005	9.260	-2.989	-2.989	0.000	0.000	0.000	0.000
344	A	340	ALA	0	-0.007	-0.001	11.186	-0.404	-0.404	0.000	0.000	0.000	0.000
345	A	341	TYR	0	-0.056	-0.052	12.490	-4.465	-4.465	0.000	0.000	0.000	0.000
346	A	342	MET	0	-0.006	-0.003	15.241	-3.997	-3.997	0.000	0.000	0.000	0.000
347	A	343	ILE	0	-0.024	-0.009	10.958	-2.621	-2.621	0.000	0.000	0.000	0.000
348	A	344	GLU	-1	-0.829	-0.909	14.926	69.361	69.361	0.000	0.000	0.000	0.000
349	A	345	ARG	1	0.901	0.957	16.657	-59.787	-59.787	0.000	0.000	0.000	0.000
350	A	346	ASP	-1	-0.852	-0.917	20.032	45.848	45.848	0.000	0.000	0.000	0.000
351	A	347	SER	0	-0.005	-0.028	23.117	-1.013	-1.013	0.000	0.000	0.000	0.000
352	A	348	CYS	0	-0.069	-0.028	19.665	1.664	1.664	0.000	0.000	0.000	0.000
353	A	349	THR	0	-0.030	-0.015	22.117	-1.278	-1.278	0.000	0.000	0.000	0.000
354	A	350	GLY	0	-0.013	-0.005	19.195	2.123	2.123	0.000	0.000	0.000	0.000
355	A	351	PRO	0	-0.042	-0.027	17.550	-2.095	-2.095	0.000	0.000	0.000	0.000
356	A	352	PHE	0	-0.046	-0.027	20.403	-2.102	-2.102	0.000	0.000	0.000	0.000
357	A	353	TYR	0	-0.005	0.001	22.367	-1.785	-1.785	0.000	0.000	0.000	0.000
358	A	354	HIS	0	-0.028	-0.020	22.680	2.932	2.932	0.000	0.000	0.000	0.000
359	A	355	GLN	0	-0.007	-0.006	21.176	-0.022	-0.022	0.000	0.000	0.000	0.000
360	A	356	GLU	-1	-0.810	-0.857	23.761	42.749	42.749	0.000	0.000	0.000	0.000
361	A	357	TRP	0	0.033	-0.016	18.076	0.363	0.363	0.000	0.000	0.000	0.000
362	A	358	TYR	0	-0.049	-0.025	24.062	-0.781	-0.781	0.000	0.000	0.000	0.000
363	A	359	GLY	0	0.018	0.010	25.936	-1.023	-1.023	0.000	0.000	0.000	0.000
364	A	360	MET	0	-0.053	-0.005	20.759	1.364	1.364	0.000	0.000	0.000	0.000
365	A	361	LYS	1	0.929	0.974	20.164	-48.612	-48.612	0.000	0.000	0.000	0.000
366	A	362	PRO	0	-0.020	0.014	17.325	1.124	1.124	0.000	0.000	0.000	0.000
367	A	363	THR	0	-0.001	0.006	11.931	-0.838	-0.838	0.000	0.000	0.000	0.000
368	A	364	THR	0	-0.019	-0.026	11.382	-0.869	-0.869	0.000	0.000	0.000	0.000
369	A	365	PRO	0	0.029	0.020	9.280	6.693	6.693	0.000	0.000	0.000	0.000
370	A	366	ILE	0	-0.034	-0.008	5.491	-2.637	-2.637	0.000	0.000	0.000	0.000
377	A	373	ALA	0	0.042	0.020	7.816	-3.559	-3.559	0.000	0.000	0.000	0.000
378	A	374	LEU	0	0.002	0.001	11.321	-4.655	-4.655	0.000	0.000	0.000	0.000
379	A	375	ARG	1	0.813	0.915	8.297	-116.361	-116.361	0.000	0.000	0.000	0.000
380	A	376	LEU	0	-0.039	-0.007	9.590	-1.450	-1.450	0.000	0.000	0.000	0.000
381	A	377	PRO	0	0.020	0.011	12.091	-1.759	-1.759	0.000	0.000	0.000	0.000
382	A	378	GLY	0	0.007	0.007	15.252	-2.902	-2.902	0.000	0.000	0.000	0.000
383	A	379	PHE	0	-0.003	-0.004	9.110	-0.727	-0.727	0.000	0.000	0.000	0.000
384	A	380	PHE	0	0.020	-0.006	13.157	0.188	0.188	0.000	0.000	0.000	0.000
385	A	381	GLU	-1	-0.923	-0.935	15.710	54.378	54.378	0.000	0.000	0.000	0.000
386	A	382	ASN	0	-0.063	-0.027	13.348	-5.880	-5.880	0.000	0.000	0.000	0.000
387	A	383	LEU	0	-0.035	-0.007	12.062	-1.237	-1.237	0.000	0.000	0.000	0.000
388	A	384	GLY	0	0.029	0.023	15.405	-2.692	-2.692	0.000	0.000	0.000	0.000
389	A	385	HIS	0	-0.068	-0.052	14.654	-3.441	-3.441	0.000	0.000	0.000	0.000
390	A	386	GLY	0	0.061	0.013	15.038	3.889	3.889	0.000	0.000	0.000	0.000
391	A	387	ASN	0	-0.079	-0.019	15.607	0.799	0.799	0.000	0.000	0.000	0.000
392	A	388	VAL	0	0.000	-0.005	10.632	1.056	1.056	0.000	0.000	0.000	0.000
393	A	389	ILE	0	0.029	0.023	9.377	-3.236	-3.236	0.000	0.000	0.000	0.000
394	A	390	ASN	0	-0.040	-0.029	6.718	2.531	2.531	0.000	0.000	0.000	0.000
400	A	396	SER	0	-0.008	-0.008	6.013	-21.708	-21.708	0.000	0.000	0.000	0.000
401	A	397	TYR	0	-0.050	-0.051	6.419	-13.761	-13.761	0.000	0.000	0.000	0.000
402	A	398	GLY	0	0.045	0.018	7.254	-7.394	-7.394	0.000	0.000	0.000	0.000
403	A	399	HIS	0	-0.079	-0.030	8.433	-6.499	-6.499	0.000	0.000	0.000	0.000
404	A	400	ILE	0	-0.037	-0.029	11.468	-2.681	-2.681	0.000	0.000	0.000	0.000
405	A	401	ASP	-1	-0.862	-0.918	14.758	55.090	55.090	0.000	0.000	0.000	0.000
406	A	402	SER	0	-0.001	-0.020	14.774	-1.463	-1.463	0.000	0.000	0.000	0.000
407	A	403	PRO	0	0.031	0.009	11.241	1.791	1.791	0.000	0.000	0.000	0.000
408	A	404	ALA	0	0.032	0.033	12.304	3.508	3.508	0.000	0.000	0.000	0.000
409	A	405	ALA	0	0.006	0.000	14.844	0.058	0.058	0.000	0.000	0.000	0.000
410	A	406	GLY	0	0.065	0.025	11.068	0.227	0.227	0.000	0.000	0.000	0.000
411	A	407	ALA	0	0.008	0.030	11.132	3.407	3.407	0.000	0.000	0.000	0.000
412	A	408	VAL	0	-0.013	0.001	12.078	-0.084	-0.084	0.000	0.000	0.000	0.000
413	A	409	SER	0	-0.072	-0.048	11.945	0.095	0.095	0.000	0.000	0.000	0.000
414	A	410	LEU	0	0.003	-0.010	7.806	-0.673	-0.673	0.000	0.000	0.000	0.000
415	A	411	ARG	1	0.859	0.926	11.804	-68.200	-68.200	0.000	0.000	0.000	0.000
416	A	412	GLN	0	0.021	-0.011	15.006	-1.431	-1.431	0.000	0.000	0.000	0.000
417	A	413	ALA	0	0.031	0.023	13.440	-2.747	-2.747	0.000	0.000	0.000	0.000
418	A	414	TYR	0	-0.005	0.000	14.987	-2.850	-2.850	0.000	0.000	0.000	0.000
419	A	415	GLU	-1	-0.963	-0.991	16.432	53.817	53.817	0.000	0.000	0.000	0.000
420	A	416	CYS	0	-0.036	0.002	18.435	-2.720	-2.720	0.000	0.000	0.000	0.000
421	A	417	TRP	0	-0.010	-0.009	18.149	-1.238	-1.238	0.000	0.000	0.000	0.000
422	A	418	LYS	1	0.941	0.975	19.959	-54.246	-54.246	0.000	0.000	0.000	0.000
423	A	419	ALA	0	-0.073	-0.032	21.990	-2.277	-2.277	0.000	0.000	0.000	0.000
424	A	420	GLY	0	-0.015	0.005	23.360	-2.001	-2.001	0.000	0.000	0.000	0.000
425	A	421	ALA	0	-0.045	-0.018	23.272	-1.759	-1.759	0.000	0.000	0.000	0.000
426	A	422	ASP	-1	-0.802	-0.915	22.892	50.520	50.520	0.000	0.000	0.000	0.000
427	A	423	PRO	0	0.029	0.000	18.761	-0.240	-0.240	0.000	0.000	0.000	0.000
428	A	424	ILE	0	-0.007	-0.007	20.858	0.252	0.252	0.000	0.000	0.000	0.000
429	A	425	GLU	-1	-0.863	-0.951	22.999	40.970	40.970	0.000	0.000	0.000	0.000
430	A	426	TRP	0	-0.021	-0.010	19.584	-2.194	-2.194	0.000	0.000	0.000	0.000
431	A	427	ALA	0	-0.028	-0.011	20.398	0.084	0.084	0.000	0.000	0.000	0.000
432	A	428	LYS	1	0.830	0.923	21.803	-41.673	-41.673	0.000	0.000	0.000	0.000
433	A	429	GLU	-1	-0.937	-0.953	24.601	39.541	39.541	0.000	0.000	0.000	0.000
434	A	430	HIS	1	0.797	0.899	20.413	-50.259	-50.259	0.000	0.000	0.000	0.000
435	A	431	LYS	1	1.014	1.016	20.565	-47.476	-47.476	0.000	0.000	0.000	0.000
436	A	432	GLU	-1	-0.815	-0.917	16.341	56.464	56.464	0.000	0.000	0.000	0.000
437	A	433	PHE	0	-0.026	-0.026	14.699	3.229	3.229	0.000	0.000	0.000	0.000
438	A	434	ALA	0	0.014	0.009	16.553	2.149	2.149	0.000	0.000	0.000	0.000
439	A	435	ARG	1	0.803	0.903	17.482	-55.348	-55.348	0.000	0.000	0.000	0.000
440	A	436	ALA	0	0.038	0.029	12.702	1.945	1.945	0.000	0.000	0.000	0.000
441	A	437	PHE	0	-0.023	-0.021	14.043	3.289	3.289	0.000	0.000	0.000	0.000
442	A	438	GLU	-1	-0.927	-0.986	16.588	53.245	53.245	0.000	0.000	0.000	0.000
443	A	439	SER	0	-0.027	0.016	12.053	-0.339	-0.339	0.000	0.000	0.000	0.000
444	A	440	PHE	0	-0.019	-0.002	8.193	4.243	4.243	0.000	0.000	0.000	0.000
445	A	441	PRO	0	0.057	0.028	12.938	-0.751	-0.751	0.000	0.000	0.000	0.000
446	A	442	LYS	1	0.964	0.981	13.805	-72.289	-72.289	0.000	0.000	0.000	0.000
447	A	443	ASP	-1	-0.806	-0.916	10.234	98.384	98.384	0.000	0.000	0.000	0.000
448	A	444	ALA	0	0.012	0.007	13.859	-2.068	-2.068	0.000	0.000	0.000	0.000
449	A	445	ASP	-1	-0.871	-0.923	16.855	54.402	54.402	0.000	0.000	0.000	0.000
450	A	446	LYS	1	0.857	0.938	12.701	-82.413	-82.413	0.000	0.000	0.000	0.000
451	A	447	LEU	0	-0.032	-0.009	13.711	-1.867	-1.867	0.000	0.000	0.000	0.000
452	A	448	PHE	0	-0.011	-0.003	15.999	-2.254	-2.254	0.000	0.000	0.000	0.000
453	A	449	PRO	0	0.058	0.030	20.863	-1.438	-1.438	0.000	0.000	0.000	0.000
454	A	450	GLY	0	0.001	-0.010	23.357	-1.505	-1.505	0.000	0.000	0.000	0.000
455	A	451	TRP	0	-0.008	-0.029	19.638	-1.721	-1.721	0.000	0.000	0.000	0.000
456	A	452	ARG	1	0.881	0.957	20.297	-53.510	-53.510	0.000	0.000	0.000	0.000
457	A	453	GLU	-1	-0.883	-0.958	24.735	42.702	42.702	0.000	0.000	0.000	0.000
458	A	454	LYS	1	0.851	0.934	25.801	-45.508	-45.508	0.000	0.000	0.000	0.000
459	A	455	LEU	0	-0.017	-0.009	21.399	-0.754	-0.754	0.000	0.000	0.000	0.000
460	A	456	GLY	0	-0.027	0.013	25.774	-0.374	-0.374	0.000	0.000	0.000	0.000
461	A	457	VAL	0	-0.011	0.005	22.638	-0.323	-0.323	0.000	0.000	0.000	0.000
462	A	458	HIS	0	-0.053	-0.027	25.590	-1.933	-1.933	0.000	0.000	0.000	0.000
463	C	-3	ARG	1	0.924	0.964	10.802	-73.168	-73.168	0.000	0.000	0.000	0.000
464	C	-2	GLY	0	0.014	-0.003	9.466	-8.955	-8.955	0.000	0.000	0.000	0.000
465	C	-1	SER	0	0.041	0.010	8.393	14.177	14.177	0.000	0.000	0.000	0.000
466	C	0	HIS	0	-0.075	-0.031	8.408	-6.824	-6.824	0.000	0.000	0.000	0.000
467	C	1	MET	0	-0.057	-0.022	10.164	-7.837	-7.837	0.000	0.000	0.000	0.000
468	C	2	ASP	-1	-0.741	-0.842	12.401	68.678	68.678	0.000	0.000	0.000	0.000
469	C	3	GLN	0	-0.008	-0.011	9.076	-2.935	-2.935	0.000	0.000	0.000	0.000
470	C	4	SER	0	-0.011	-0.045	14.550	-0.752	-0.752	0.000	0.000	0.000	0.000
471	C	5	ASN	0	-0.057	-0.029	18.014	-3.192	-3.192	0.000	0.000	0.000	0.000
472	C	6	ARG	1	0.824	0.920	11.421	-80.956	-80.956	0.000	0.000	0.000	0.000
473	C	7	TYR	0	-0.011	-0.006	11.387	0.503	0.503	0.000	0.000	0.000	0.000
474	C	8	ALA	0	-0.015	-0.010	16.622	0.389	0.389	0.000	0.000	0.000	0.000
475	C	9	ASP	-1	-0.823	-0.892	20.097	45.349	45.349	0.000	0.000	0.000	0.000
476	C	10	LEU	0	-0.042	-0.028	23.238	-0.946	-0.946	0.000	0.000	0.000	0.000
477	C	11	SER	0	-0.099	-0.046	26.029	-1.911	-1.911	0.000	0.000	0.000	0.000
478	C	12	LEU	0	-0.002	0.007	24.349	-1.526	-1.526	0.000	0.000	0.000	0.000
479	C	13	LYS	1	0.921	0.972	28.362	-34.505	-34.505	0.000	0.000	0.000	0.000
480	C	14	GLU	-1	-0.790	-0.875	27.348	43.495	43.495	0.000	0.000	0.000	0.000
481	C	15	GLU	-1	-0.915	-0.967	29.265	33.678	33.678	0.000	0.000	0.000	0.000
482	C	16	ASP	-1	-0.894	-0.958	31.218	36.279	36.279	0.000	0.000	0.000	0.000
483	C	17	LEU	0	-0.023	-0.006	24.977	0.004	0.004	0.000	0.000	0.000	0.000
484	C	18	ILE	0	-0.025	-0.003	28.246	0.430	0.430	0.000	0.000	0.000	0.000
485	C	19	LYS	1	0.886	0.939	29.862	-34.086	-34.086	0.000	0.000	0.000	0.000
486	C	20	GLY	0	-0.024	-0.004	30.042	-0.683	-0.683	0.000	0.000	0.000	0.000
487	C	21	GLY	0	-0.008	0.003	28.749	-0.220	-0.220	0.000	0.000	0.000	0.000
488	C	22	ASN	0	-0.048	-0.032	25.320	0.238	0.238	0.000	0.000	0.000	0.000
489	C	23	HIS	0	0.036	0.007	21.650	0.745	0.745	0.000	0.000	0.000	0.000
490	C	24	ILE	0	-0.006	0.012	19.791	-2.149	-2.149	0.000	0.000	0.000	0.000
491	C	25	LEU	0	-0.035	0.000	20.775	2.120	2.120	0.000	0.000	0.000	0.000
492	C	26	VAL	0	0.000	0.004	17.591	-0.730	-0.730	0.000	0.000	0.000	0.000
493	C	27	ALA	0	0.010	0.018	20.426	0.523	0.523	0.000	0.000	0.000	0.000
494	C	28	TYR	0	0.042	-0.001	15.337	1.573	1.573	0.000	0.000	0.000	0.000
495	C	29	THR	0	-0.013	-0.004	19.904	-1.662	-1.662	0.000	0.000	0.000	0.000
496	C	30	MET	0	-0.046	-0.021	16.578	3.473	3.473	0.000	0.000	0.000	0.000
497	C	31	GLU	-1	-0.860	-0.923	18.231	52.610	52.610	0.000	0.000	0.000	0.000
498	C	32	PRO	0	0.027	0.009	17.085	4.100	4.100	0.000	0.000	0.000	0.000
499	C	33	ALA	0	-0.007	0.007	14.902	-2.577	-2.577	0.000	0.000	0.000	0.000
500	C	34	ALA	0	0.031	-0.005	17.032	-2.401	-2.401	0.000	0.000	0.000	0.000
501	C	35	GLY	0	-0.072	-0.048	18.903	2.272	2.272	0.000	0.000	0.000	0.000
502	C	36	VAL	0	-0.052	-0.001	15.503	0.301	0.301	0.000	0.000	0.000	0.000
503	C	37	GLY	0	0.026	0.017	18.294	-2.305	-2.305	0.000	0.000	0.000	0.000
504	C	38	TYR	0	0.037	-0.003	18.625	3.035	3.035	0.000	0.000	0.000	0.000
505	C	39	LEU	0	0.015	-0.002	19.337	1.807	1.807	0.000	0.000	0.000	0.000
506	C	40	GLU	-1	-0.853	-0.919	15.942	69.746	69.746	0.000	0.000	0.000	0.000
507	C	41	ALA	0	0.026	0.023	14.637	5.126	5.126	0.000	0.000	0.000	0.000
508	C	42	ALA	0	0.008	-0.002	14.525	4.543	4.543	0.000	0.000	0.000	0.000
509	C	43	ALA	0	-0.010	-0.006	15.390	2.320	2.320	0.000	0.000	0.000	0.000
510	C	44	HIS	0	-0.061	-0.040	7.986	12.511	12.511	0.000	0.000	0.000	0.000
511	C	45	ILE	0	0.027	0.010	10.756	8.054	8.054	0.000	0.000	0.000	0.000
512	C	46	ALA	0	-0.002	0.014	11.216	3.495	3.495	0.000	0.000	0.000	0.000
513	C	47	ALA	0	0.015	0.005	10.065	0.624	0.624	0.000	0.000	0.000	0.000
514	C	48	GLU	-1	-0.838	-0.928	5.293	177.868	177.868	0.000	0.000	0.000	0.000
515	C	49	SER	0	-0.053	-0.010	7.331	7.820	7.820	0.000	0.000	0.000	0.000
516	C	50	SER	0	-0.039	-0.040	9.984	-7.541	-7.541	0.000	0.000	0.000	0.000
517	C	51	THR	0	0.002	-0.054	9.606	6.987	6.987	0.000	0.000	0.000	0.000
518	C	52	GLY	0	-0.045	-0.016	7.472	-0.610	-0.610	0.000	0.000	0.000	0.000
522	C	56	GLU	-1	-0.914	-0.957	6.842	79.211	79.211	0.000	0.000	0.000	0.000
523	C	57	VAL	0	-0.008	-0.010	5.815	4.913	4.913	0.000	0.000	0.000	0.000
524	C	58	SER	0	-0.011	-0.014	8.875	-6.541	-6.541	0.000	0.000	0.000	0.000
525	C	59	THR	0	-0.100	-0.128	9.611	-4.234	-4.234	0.000	0.000	0.000	0.000
526	C	60	THR	0	-0.024	0.002	10.573	-0.230	-0.230	0.000	0.000	0.000	0.000
527	C	61	ASP	-1	-0.829	-0.855	12.733	60.373	60.373	0.000	0.000	0.000	0.000
528	C	62	GLU	-1	-0.828	-0.945	16.189	56.385	56.385	0.000	0.000	0.000	0.000
529	C	63	PHE	0	-0.063	-0.017	17.938	-1.871	-1.871	0.000	0.000	0.000	0.000
530	C	64	THR	0	-0.024	-0.085	12.413	0.612	0.612	0.000	0.000	0.000	0.000
531	C	65	LYS	1	0.883	0.939	15.676	-58.843	-58.843	0.000	0.000	0.000	0.000
532	C	66	GLY	0	-0.047	0.006	17.044	-0.879	-0.879	0.000	0.000	0.000	0.000
533	C	67	VAL	0	-0.059	-0.037	15.251	-1.742	-1.742	0.000	0.000	0.000	0.000
534	C	68	ASP	-1	-0.721	-0.806	14.400	77.387	77.387	0.000	0.000	0.000	0.000
535	C	69	ALA	0	-0.034	-0.011	14.924	-3.878	-3.878	0.000	0.000	0.000	0.000
536	C	70	LEU	0	-0.015	-0.004	16.750	1.313	1.313	0.000	0.000	0.000	0.000
537	C	71	VAL	0	0.006	-0.003	17.792	-1.640	-1.640	0.000	0.000	0.000	0.000
538	C	72	TYR	0	-0.047	-0.068	20.204	-0.978	-0.978	0.000	0.000	0.000	0.000
539	C	73	PHE	0	-0.017	-0.023	23.083	-2.376	-2.376	0.000	0.000	0.000	0.000
540	C	74	ILE	0	0.000	-0.005	21.618	2.636	2.636	0.000	0.000	0.000	0.000
541	C	75	ASP	-1	-0.889	-0.948	24.338	40.026	40.026	0.000	0.000	0.000	0.000
542	C	76	GLU	-1	-0.907	-0.959	24.606	49.044	49.044	0.000	0.000	0.000	0.000
543	C	77	ALA	0	-0.042	-0.011	25.866	0.240	0.240	0.000	0.000	0.000	0.000
544	C	78	LYS	1	0.874	0.928	28.021	-39.157	-39.157	0.000	0.000	0.000	0.000
545	C	79	GLY	0	0.044	0.044	23.787	0.366	0.366	0.000	0.000	0.000	0.000
546	C	80	ILE	0	-0.060	-0.026	22.849	1.322	1.322	0.000	0.000	0.000	0.000
547	C	81	MET	0	0.007	0.015	16.077	0.119	0.119	0.000	0.000	0.000	0.000
548	C	82	LYS	1	0.902	0.966	20.966	-44.164	-44.164	0.000	0.000	0.000	0.000
549	C	83	VAL	0	0.018	0.010	16.201	0.061	0.061	0.000	0.000	0.000	0.000
550	C	84	ALA	0	-0.002	-0.002	19.513	-1.428	-1.428	0.000	0.000	0.000	0.000
551	C	85	TYR	0	0.022	-0.017	13.556	3.075	3.075	0.000	0.000	0.000	0.000
552	C	86	PRO	0	0.025	0.023	17.644	-2.709	-2.709	0.000	0.000	0.000	0.000
553	C	87	ASN	0	0.050	0.000	18.793	3.158	3.158	0.000	0.000	0.000	0.000
554	C	88	ASP	-1	-0.943	-0.973	19.462	52.180	52.180	0.000	0.000	0.000	0.000
555	C	89	LEU	0	-0.064	-0.020	13.212	1.633	1.633	0.000	0.000	0.000	0.000
556	C	90	PHE	0	-0.023	-0.009	14.680	3.305	3.305	0.000	0.000	0.000	0.000
557	C	91	ASP	-1	-0.726	-0.867	14.406	63.717	63.717	0.000	0.000	0.000	0.000
558	C	92	ARG	1	0.869	0.933	16.373	-54.959	-54.959	0.000	0.000	0.000	0.000
559	C	93	ASN	0	-0.025	-0.006	19.550	3.133	3.133	0.000	0.000	0.000	0.000
560	C	94	VAL	0	-0.053	-0.048	20.159	-1.529	-1.529	0.000	0.000	0.000	0.000
561	C	95	THR	0	-0.060	-0.025	22.777	-2.160	-2.160	0.000	0.000	0.000	0.000
562	C	96	ASP	-1	-0.749	-0.886	25.140	42.198	42.198	0.000	0.000	0.000	0.000
563	C	97	GLY	0	-0.032	-0.012	24.354	-1.029	-1.029	0.000	0.000	0.000	0.000
564	C	98	ARG	1	0.856	0.944	24.516	-39.258	-39.258	0.000	0.000	0.000	0.000
565	C	99	VAL	0	-0.015	-0.012	20.468	1.773	1.773	0.000	0.000	0.000	0.000
566	C	100	MET	0	-0.035	0.016	16.565	-0.019	-0.019	0.000	0.000	0.000	0.000
567	C	101	ILE	0	0.001	-0.018	17.696	2.267	2.267	0.000	0.000	0.000	0.000
568	C	102	VAL	0	0.034	0.015	12.809	2.300	2.300	0.000	0.000	0.000	0.000
569	C	103	SER	0	0.003	0.022	12.882	3.955	3.955	0.000	0.000	0.000	0.000
570	C	104	PHE	0	-0.001	-0.015	13.133	3.597	3.597	0.000	0.000	0.000	0.000
571	C	105	LEU	0	-0.021	-0.013	12.898	1.787	1.787	0.000	0.000	0.000	0.000
572	C	106	THR	0	-0.017	-0.010	7.779	2.960	2.960	0.000	0.000	0.000	0.000
573	C	107	LEU	0	-0.026	-0.014	8.899	7.933	7.933	0.000	0.000	0.000	0.000
574	C	108	CYS	0	-0.035	-0.009	10.893	1.979	1.979	0.000	0.000	0.000	0.000
575	C	109	ILE	0	-0.081	-0.018	11.811	-1.971	-1.971	0.000	0.000	0.000	0.000
576	C	110	GLY	0	0.102	0.051	7.875	0.416	0.416	0.000	0.000	0.000	0.000
578	C	112	ASN	0	-0.010	-0.018	5.655	6.384	6.384	0.000	0.000	0.000	0.000
579	C	113	GLN	0	0.014	0.001	8.507	-8.722	-8.722	0.000	0.000	0.000	0.000
580	C	114	GLY	0	-0.028	-0.013	5.758	-4.924	-4.924	0.000	0.000	0.000	0.000
581	C	115	MET	0	-0.020	0.015	6.257	9.278	9.278	0.000	0.000	0.000	0.000
582	C	116	GLY	0	0.042	0.014	8.381	-8.279	-8.279	0.000	0.000	0.000	0.000
583	C	117	ASP	-1	-0.856	-0.927	10.044	93.474	93.474	0.000	0.000	0.000	0.000
584	C	118	ILE	0	-0.005	-0.012	11.220	-6.436	-6.436	0.000	0.000	0.000	0.000
585	C	119	ALA	0	0.012	0.027	12.820	2.649	2.649	0.000	0.000	0.000	0.000
586	C	120	ASN	0	-0.127	-0.084	14.632	0.240	0.240	0.000	0.000	0.000	0.000
587	C	121	LEU	0	0.045	0.016	12.452	-1.335	-1.335	0.000	0.000	0.000	0.000
588	C	122	GLN	0	-0.007	0.022	15.380	1.419	1.419	0.000	0.000	0.000	0.000
589	C	123	MET	0	-0.003	0.016	16.189	-3.449	-3.449	0.000	0.000	0.000	0.000
590	C	124	GLN	0	0.000	-0.029	18.950	0.373	0.373	0.000	0.000	0.000	0.000
591	C	125	ASP	-1	-0.767	-0.911	22.265	42.609	42.609	0.000	0.000	0.000	0.000
592	C	126	PHE	0	0.006	-0.005	21.028	2.245	2.245	0.000	0.000	0.000	0.000
593	C	127	TYR	0	0.008	0.014	23.120	-2.234	-2.234	0.000	0.000	0.000	0.000
594	C	128	VAL	0	0.021	0.004	23.574	1.870	1.870	0.000	0.000	0.000	0.000
595	C	129	PRO	0	0.027	0.031	24.595	-1.955	-1.955	0.000	0.000	0.000	0.000
596	C	130	PRO	0	0.056	0.006	27.685	0.439	0.439	0.000	0.000	0.000	0.000
597	C	131	ARG	1	0.922	0.962	27.270	-39.697	-39.697	0.000	0.000	0.000	0.000
598	C	132	MET	0	0.025	0.010	20.892	-0.231	-0.231	0.000	0.000	0.000	0.000
599	C	133	LEU	0	0.006	0.015	25.541	0.471	0.471	0.000	0.000	0.000	0.000
600	C	134	GLN	0	-0.040	-0.022	27.819	-0.237	-0.237	0.000	0.000	0.000	0.000
601	C	135	LEU	0	-0.077	-0.024	24.860	-0.825	-0.825	0.000	0.000	0.000	0.000
602	C	136	PHE	0	0.040	0.019	21.043	1.583	1.583	0.000	0.000	0.000	0.000
603	C	137	ASP	-1	-0.848	-0.911	25.941	41.723	41.723	0.000	0.000	0.000	0.000
604	C	138	GLY	0	0.007	0.015	27.612	-1.547	-1.547	0.000	0.000	0.000	0.000
605	C	139	PRO	0	-0.005	0.000	29.562	-0.041	-0.041	0.000	0.000	0.000	0.000
606	C	140	ALA	0	-0.024	-0.011	31.833	-0.624	-0.624	0.000	0.000	0.000	0.000
607	C	141	LYS	1	0.857	0.942	34.526	-30.886	-30.886	0.000	0.000	0.000	0.000
608	C	142	ASP	-1	-0.759	-0.853	35.194	31.553	31.553	0.000	0.000	0.000	0.000
609	C	143	ILE	0	0.037	0.012	37.383	-0.535	-0.535	0.000	0.000	0.000	0.000
610	C	144	SER	0	-0.060	-0.061	39.844	-1.006	-1.006	0.000	0.000	0.000	0.000
611	C	145	ASP	-1	-0.835	-0.937	39.818	28.806	28.806	0.000	0.000	0.000	0.000
612	C	146	LEU	0	0.013	0.007	38.735	-0.532	-0.532	0.000	0.000	0.000	0.000
613	C	147	TRP	0	-0.026	-0.002	43.014	-0.580	-0.580	0.000	0.000	0.000	0.000
614	C	148	ARG	1	0.875	0.939	43.686	-27.509	-27.509	0.000	0.000	0.000	0.000
615	C	149	ILE	0	-0.002	0.010	43.659	-0.637	-0.637	0.000	0.000	0.000	0.000
616	C	150	LEU	0	-0.061	-0.029	45.006	-0.483	-0.483	0.000	0.000	0.000	0.000
617	C	151	GLY	0	-0.009	0.013	48.805	-0.453	-0.453	0.000	0.000	0.000	0.000
618	C	152	ARG	1	0.783	0.888	46.970	-25.649	-25.649	0.000	0.000	0.000	0.000
619	C	153	PRO	0	0.002	-0.004	49.572	0.162	0.162	0.000	0.000	0.000	0.000
620	C	154	VAL	0	0.011	-0.002	45.418	0.370	0.370	0.000	0.000	0.000	0.000
621	C	155	LYS	1	0.907	0.946	45.441	-24.260	-24.260	0.000	0.000	0.000	0.000
622	C	156	ASP	-1	-0.843	-0.915	45.534	25.971	25.971	0.000	0.000	0.000	0.000
623	C	157	GLY	0	0.001	-0.003	46.059	-0.528	-0.528	0.000	0.000	0.000	0.000
624	C	158	GLY	0	-0.044	-0.014	45.949	-0.387	-0.387	0.000	0.000	0.000	0.000
625	C	159	TYR	0	0.003	-0.011	43.010	0.299	0.299	0.000	0.000	0.000	0.000
626	C	160	ILE	0	-0.022	-0.005	41.574	-0.579	-0.579	0.000	0.000	0.000	0.000
627	C	161	SER	0	-0.009	0.003	42.518	0.418	0.418	0.000	0.000	0.000	0.000
628	C	162	GLY	0	0.073	-0.003	41.039	-0.058	-0.058	0.000	0.000	0.000	0.000
629	C	163	THR	0	-0.041	-0.020	40.091	-0.006	-0.006	0.000	0.000	0.000	0.000
630	C	164	ILE	0	0.047	0.021	34.746	0.350	0.350	0.000	0.000	0.000	0.000
631	C	165	ILE	0	-0.026	0.003	37.871	-0.643	-0.643	0.000	0.000	0.000	0.000
632	C	166	LYS	1	0.889	0.954	35.138	-31.709	-31.709	0.000	0.000	0.000	0.000
633	C	167	PRO	0	0.042	0.066	38.334	-0.787	-0.787	0.000	0.000	0.000	0.000
634	C	168	LYS	1	0.868	0.938	29.948	-36.914	-36.914	0.000	0.000	0.000	0.000
635	C	169	LEU	0	-0.013	-0.013	30.895	0.399	0.399	0.000	0.000	0.000	0.000
636	C	170	GLY	0	0.053	0.007	35.186	-0.421	-0.421	0.000	0.000	0.000	0.000
637	C	171	LEU	0	-0.015	0.024	38.205	-0.670	-0.670	0.000	0.000	0.000	0.000
638	C	172	ARG	1	0.966	0.983	40.167	-25.693	-25.693	0.000	0.000	0.000	0.000
639	C	173	PRO	0	0.042	0.001	41.992	-0.204	-0.204	0.000	0.000	0.000	0.000
640	C	174	GLU	-1	-0.912	-0.957	43.524	23.805	23.805	0.000	0.000	0.000	0.000
641	C	175	PRO	0	-0.040	-0.038	44.493	-0.251	-0.251	0.000	0.000	0.000	0.000
642	C	176	PHE	0	0.045	0.028	37.762	-0.183	-0.183	0.000	0.000	0.000	0.000
643	C	177	ALA	0	0.015	0.005	43.219	0.036	0.036	0.000	0.000	0.000	0.000
644	C	178	LYS	1	0.918	0.962	45.495	-23.773	-23.773	0.000	0.000	0.000	0.000
645	C	179	ALA	0	0.055	0.035	43.912	-0.338	-0.338	0.000	0.000	0.000	0.000
646	C	180	ALA	0	0.005	0.013	43.394	-0.045	-0.045	0.000	0.000	0.000	0.000
647	C	181	TYR	0	-0.178	-0.181	45.022	-0.159	-0.159	0.000	0.000	0.000	0.000
648	C	182	GLN	0	0.002	-0.008	48.384	0.046	0.046	0.000	0.000	0.000	0.000
649	C	183	PHE	0	0.020	0.034	44.332	-0.294	-0.294	0.000	0.000	0.000	0.000
650	C	184	TRP	0	0.019	-0.004	42.863	-0.306	-0.306	0.000	0.000	0.000	0.000
651	C	185	LEU	0	-0.001	-0.005	48.144	-0.216	-0.216	0.000	0.000	0.000	0.000
652	C	186	GLY	0	-0.047	-0.012	50.089	-0.435	-0.435	0.000	0.000	0.000	0.000
653	C	187	GLY	0	-0.024	-0.015	46.722	0.006	0.006	0.000	0.000	0.000	0.000
654	C	188	ASP	-1	-0.775	-0.878	44.761	25.359	25.359	0.000	0.000	0.000	0.000
655	C	189	PHE	0	-0.009	-0.015	36.632	0.122	0.122	0.000	0.000	0.000	0.000
656	C	190	ILE	0	0.006	0.022	39.812	0.057	0.057	0.000	0.000	0.000	0.000
657	C	191	KCX	-1	-0.570	-0.829	32.392	36.158	36.158	0.000	0.000	0.000	0.000
658	C	192	ASN	0	0.026	0.008	33.691	-0.334	-0.334	0.000	0.000	0.000	0.000
659	C	193	ASP	0	0.204	0.054	33.301	0.386	0.386	0.000	0.000	0.000	0.000
660	C	194	GLU	0	0.125	-0.065	27.565	-0.185	-0.185	0.000	0.000	0.000	0.000
661	C	801	merge:C:AS	-1	-1.525	-0.918	27.283	36.256	36.256	0.000	0.000	0.000	0.000
662	C	195	PRO	0	-0.035	0.017	28.095	0.648	0.648	0.000	0.000	0.000	0.000
663	C	196	GLN	0	-0.098	-0.040	29.172	-0.382	-0.382	0.000	0.000	0.000	0.000
664	C	197	GLY	0	0.039	0.010	31.482	0.415	0.415	0.000	0.000	0.000	0.000
665	C	198	ASN	0	-0.074	-0.034	31.955	-2.257	-2.257	0.000	0.000	0.000	0.000
666	C	199	GLN	0	0.043	0.027	30.756	-0.698	-0.698	0.000	0.000	0.000	0.000
667	C	200	VAL	0	0.019	0.003	34.124	-0.838	-0.838	0.000	0.000	0.000	0.000
668	C	201	PHE	0	-0.028	0.003	34.978	-1.015	-1.015	0.000	0.000	0.000	0.000
669	C	202	CYS	0	-0.095	-0.064	37.722	-1.124	-1.124	0.000	0.000	0.000	0.000
670	C	203	PRO	0	0.033	0.042	37.210	0.339	0.339	0.000	0.000	0.000	0.000
671	C	204	ILE	0	0.132	0.046	34.711	-0.902	-0.902	0.000	0.000	0.000	0.000
672	C	205	LYS	1	0.899	0.946	37.840	-30.734	-30.734	0.000	0.000	0.000	0.000
673	C	206	LYS	1	0.904	0.957	40.606	-26.948	-26.948	0.000	0.000	0.000	0.000
674	C	207	VAL	0	0.036	0.030	39.011	-0.729	-0.729	0.000	0.000	0.000	0.000
675	C	208	LEU	0	0.029	0.026	38.610	-0.413	-0.413	0.000	0.000	0.000	0.000
676	C	209	PRO	0	0.007	-0.006	41.751	-0.345	-0.345	0.000	0.000	0.000	0.000
677	C	210	LEU	0	-0.012	-0.001	45.089	-0.535	-0.535	0.000	0.000	0.000	0.000
678	C	211	VAL	0	-0.010	-0.005	41.316	-0.418	-0.418	0.000	0.000	0.000	0.000
679	C	212	TYR	0	-0.028	-0.029	44.573	-0.386	-0.386	0.000	0.000	0.000	0.000
680	C	213	ASP	-1	-0.889	-0.937	46.089	22.812	22.812	0.000	0.000	0.000	0.000
681	C	214	SER	0	-0.040	-0.041	47.037	-0.624	-0.624	0.000	0.000	0.000	0.000
682	C	215	LEU	0	0.000	0.020	44.726	-0.290	-0.290	0.000	0.000	0.000	0.000
683	C	216	LYS	1	0.928	0.960	48.092	-23.783	-23.783	0.000	0.000	0.000	0.000
684	C	217	ARG	1	0.912	0.969	50.573	-23.493	-23.493	0.000	0.000	0.000	0.000
685	C	218	ALA	0	0.047	0.023	50.111	-0.351	-0.351	0.000	0.000	0.000	0.000
686	C	219	GLN	0	-0.024	0.011	49.181	0.168	0.168	0.000	0.000	0.000	0.000
687	C	220	ASP	-1	-0.943	-0.969	52.701	21.646	21.646	0.000	0.000	0.000	0.000
688	C	221	GLU	-1	-0.850	-0.831	55.430	21.426	21.426	0.000	0.000	0.000	0.000
689	C	222	THR	0	-0.068	-0.050	52.812	-0.164	-0.164	0.000	0.000	0.000	0.000
690	C	223	GLY	0	-0.012	0.004	55.730	-0.193	-0.193	0.000	0.000	0.000	0.000
691	C	224	GLN	0	-0.071	-0.032	51.597	0.296	0.296	0.000	0.000	0.000	0.000
692	C	225	ALA	0	0.027	0.012	48.652	0.104	0.104	0.000	0.000	0.000	0.000
693	C	226	LYS	1	0.842	0.931	46.442	-24.112	-24.112	0.000	0.000	0.000	0.000
694	C	227	LEU	0	0.000	-0.005	41.594	0.235	0.235	0.000	0.000	0.000	0.000
695	C	228	PHE	0	0.029	0.004	38.299	-0.043	-0.043	0.000	0.000	0.000	0.000
696	C	229	SER	0	-0.006	0.008	34.202	0.482	0.482	0.000	0.000	0.000	0.000
697	C	230	MET	0	-0.005	-0.004	34.450	-0.125	-0.125	0.000	0.000	0.000	0.000
698	C	231	ASN	0	0.034	0.037	28.543	1.512	1.512	0.000	0.000	0.000	0.000
699	C	232	ILE	0	-0.041	-0.018	28.977	-0.601	-0.601	0.000	0.000	0.000	0.000
700	C	233	THR	0	0.013	-0.004	24.007	1.276	1.276	0.000	0.000	0.000	0.000
701	C	234	ALA	0	0.027	-0.013	24.938	-0.852	-0.852	0.000	0.000	0.000	0.000
702	C	235	ASP	-1	-0.832	-0.911	20.772	52.671	52.671	0.000	0.000	0.000	0.000
703	C	236	ASP	-1	-0.801	-0.902	21.992	44.880	44.880	0.000	0.000	0.000	0.000
704	C	237	HIS	1	0.941	0.970	24.109	-44.406	-44.406	0.000	0.000	0.000	0.000
705	C	238	TYR	0	0.014	-0.015	25.594	-1.846	-1.846	0.000	0.000	0.000	0.000
706	C	239	GLU	-1	-0.748	-0.843	27.398	35.482	35.482	0.000	0.000	0.000	0.000
707	C	240	MET	0	-0.052	-0.020	25.603	-0.563	-0.563	0.000	0.000	0.000	0.000
708	C	241	CYS	0	-0.001	-0.002	29.098	-0.643	-0.643	0.000	0.000	0.000	0.000
709	C	242	ALA	0	0.010	0.032	31.736	-1.199	-1.199	0.000	0.000	0.000	0.000
710	C	243	ARG	1	0.738	0.848	29.929	-38.737	-38.737	0.000	0.000	0.000	0.000
711	C	244	ALA	0	0.022	0.015	32.990	-0.962	-0.962	0.000	0.000	0.000	0.000
712	C	245	ASP	-1	-0.845	-0.915	34.782	32.116	32.116	0.000	0.000	0.000	0.000
713	C	246	PHE	0	-0.006	-0.005	37.230	-1.025	-1.025	0.000	0.000	0.000	0.000
714	C	247	ALA	0	0.009	0.004	37.283	-0.907	-0.907	0.000	0.000	0.000	0.000
715	C	248	LEU	0	-0.023	-0.010	37.655	-0.695	-0.695	0.000	0.000	0.000	0.000
716	C	249	GLU	-1	-0.957	-0.971	40.827	26.793	26.793	0.000	0.000	0.000	0.000
717	C	250	THR	0	-0.090	-0.061	42.109	-0.840	-0.840	0.000	0.000	0.000	0.000
718	C	251	PHE	0	-0.007	-0.019	41.682	-0.556	-0.556	0.000	0.000	0.000	0.000
719	C	252	GLY	0	0.054	0.043	44.927	-0.536	-0.536	0.000	0.000	0.000	0.000
720	C	253	PRO	0	-0.079	-0.038	46.467	0.297	0.297	0.000	0.000	0.000	0.000
721	C	254	ASP	-1	-0.791	-0.880	46.851	24.362	24.362	0.000	0.000	0.000	0.000
722	C	255	ALA	0	0.017	0.008	42.414	0.508	0.508	0.000	0.000	0.000	0.000
723	C	256	ASP	-1	-0.907	-0.954	41.691	27.322	27.322	0.000	0.000	0.000	0.000
724	C	257	LYS	1	0.767	0.883	42.011	-24.529	-24.529	0.000	0.000	0.000	0.000
725	C	258	VAL	0	-0.028	-0.002	37.585	0.173	0.173	0.000	0.000	0.000	0.000
726	C	259	ALA	0	-0.036	-0.014	35.548	0.375	0.375	0.000	0.000	0.000	0.000
727	C	260	PHE	0	0.005	-0.005	31.824	-0.120	-0.120	0.000	0.000	0.000	0.000
728	C	261	LEU	0	-0.031	-0.026	28.763	0.468	0.468	0.000	0.000	0.000	0.000
729	C	262	VAL	0	-0.003	-0.009	24.487	0.298	0.298	0.000	0.000	0.000	0.000
730	C	263	ASP	-1	-0.796	-0.920	23.704	42.604	42.604	0.000	0.000	0.000	0.000
731	C	264	GLY	0	-0.018	-0.019	22.289	1.883	1.883	0.000	0.000	0.000	0.000
732	C	265	PHE	0	-0.054	-0.008	16.932	2.115	2.115	0.000	0.000	0.000	0.000
733	C	266	VAL	0	0.004	-0.005	17.773	2.877	2.877	0.000	0.000	0.000	0.000
734	C	267	GLY	0	0.024	0.002	17.929	1.775	1.775	0.000	0.000	0.000	0.000
735	C	268	GLY	0	0.020	0.007	17.378	1.731	1.731	0.000	0.000	0.000	0.000
736	C	269	PRO	0	0.000	-0.023	16.575	-3.419	-3.419	0.000	0.000	0.000	0.000
737	C	270	GLY	0	0.030	0.033	18.694	-2.116	-2.116	0.000	0.000	0.000	0.000
738	C	271	MET	0	-0.036	0.004	20.129	-2.877	-2.877	0.000	0.000	0.000	0.000
739	C	272	VAL	0	-0.007	0.004	22.497	-2.146	-2.146	0.000	0.000	0.000	0.000
740	C	273	THR	0	0.062	0.011	22.026	-2.435	-2.435	0.000	0.000	0.000	0.000
741	C	274	THR	0	-0.011	0.009	24.217	-1.537	-1.537	0.000	0.000	0.000	0.000
742	C	275	ALA	0	0.032	0.015	26.403	-1.470	-1.470	0.000	0.000	0.000	0.000
743	C	276	ARG	1	0.815	0.915	27.244	-39.720	-39.720	0.000	0.000	0.000	0.000
744	C	277	ARG	1	0.731	0.839	25.571	-44.810	-44.810	0.000	0.000	0.000	0.000
745	C	278	GLN	0	-0.035	-0.011	27.856	-1.684	-1.684	0.000	0.000	0.000	0.000
746	C	279	TYR	0	-0.031	-0.037	31.416	-0.666	-0.666	0.000	0.000	0.000	0.000
747	C	280	PRO	0	0.019	0.024	33.045	-0.250	-0.250	0.000	0.000	0.000	0.000
748	C	281	SER	0	-0.057	-0.043	34.148	-0.227	-0.227	0.000	0.000	0.000	0.000
749	C	282	GLN	0	-0.034	-0.017	35.392	-1.269	-1.269	0.000	0.000	0.000	0.000
750	C	283	TYR	0	-0.030	-0.019	34.729	1.040	1.040	0.000	0.000	0.000	0.000
751	C	284	LEU	0	0.031	0.025	27.918	0.016	0.016	0.000	0.000	0.000	0.000
752	C	285	HIS	0	0.003	-0.028	30.981	0.570	0.570	0.000	0.000	0.000	0.000
753	C	286	TYR	0	0.046	0.018	21.432	0.553	0.553	0.000	0.000	0.000	0.000
754	C	287	HIS	0	0.045	-0.011	27.122	0.530	0.530	0.000	0.000	0.000	0.000
755	C	288	ARG	1	0.769	0.860	23.810	-39.773	-39.773	0.000	0.000	0.000	0.000
756	C	289	ALA	0	0.056	0.026	23.397	1.303	1.303	0.000	0.000	0.000	0.000
757	C	290	GLY	0	0.080	0.034	20.459	1.637	1.637	0.000	0.000	0.000	0.000
758	C	291	HIS	1	0.864	0.926	19.977	-44.273	-44.273	0.000	0.000	0.000	0.000
759	C	292	GLY	0	-0.002	0.000	20.582	1.192	1.192	0.000	0.000	0.000	0.000
760	C	293	MET	0	-0.027	0.000	14.529	-0.308	-0.308	0.000	0.000	0.000	0.000
761	C	294	VAL	0	-0.029	-0.018	15.219	2.352	2.352	0.000	0.000	0.000	0.000
762	C	295	THR	0	-0.026	-0.013	18.357	-1.013	-1.013	0.000	0.000	0.000	0.000
763	C	296	SER	0	-0.036	0.009	21.814	-1.554	-1.554	0.000	0.000	0.000	0.000
764	C	297	PRO	0	0.032	0.008	23.344	1.367	1.367	0.000	0.000	0.000	0.000
765	C	298	SER	0	-0.059	-0.027	23.868	0.767	0.767	0.000	0.000	0.000	0.000
766	C	299	SER	0	-0.076	-0.033	18.937	2.545	2.545	0.000	0.000	0.000	0.000
767	C	300	LYS	1	0.993	0.990	18.560	-53.666	-53.666	0.000	0.000	0.000	0.000
768	C	301	ARG	1	0.879	0.945	10.840	-81.885	-81.885	0.000	0.000	0.000	0.000
769	C	302	GLY	0	0.067	0.027	14.437	-2.912	-2.912	0.000	0.000	0.000	0.000
770	C	303	TYR	0	-0.008	-0.014	15.149	-1.511	-1.511	0.000	0.000	0.000	0.000
771	C	304	THR	0	0.065	0.041	18.673	-1.408	-1.408	0.000	0.000	0.000	0.000
772	C	305	ALA	0	0.036	-0.004	22.287	0.560	0.560	0.000	0.000	0.000	0.000
773	C	306	PHE	0	0.014	0.005	24.530	-0.746	-0.746	0.000	0.000	0.000	0.000
774	C	307	VAL	0	0.020	0.012	19.604	-0.759	-0.759	0.000	0.000	0.000	0.000
775	C	308	LEU	0	-0.007	-0.004	20.520	0.121	0.121	0.000	0.000	0.000	0.000
776	C	309	ALA	0	0.042	0.018	22.506	-0.411	-0.411	0.000	0.000	0.000	0.000
777	C	310	LYS	1	0.854	0.949	24.712	-45.356	-45.356	0.000	0.000	0.000	0.000
778	C	311	MET	0	-0.026	-0.012	18.386	0.293	0.293	0.000	0.000	0.000	0.000
779	C	312	SER	0	-0.034	-0.024	22.945	-0.855	-0.855	0.000	0.000	0.000	0.000
780	C	313	ARG	1	0.859	0.948	24.938	-37.338	-37.338	0.000	0.000	0.000	0.000
781	C	314	LEU	0	-0.022	-0.021	23.108	-1.024	-1.024	0.000	0.000	0.000	0.000
782	C	315	GLN	0	-0.016	-0.017	21.075	-0.316	-0.316	0.000	0.000	0.000	0.000
783	C	316	GLY	0	0.014	0.020	24.614	-0.424	-0.424	0.000	0.000	0.000	0.000
784	C	317	ALA	0	-0.009	-0.011	27.394	-1.101	-1.101	0.000	0.000	0.000	0.000
785	C	318	SER	0	0.016	0.021	29.113	-0.431	-0.431	0.000	0.000	0.000	0.000
786	C	319	GLY	0	0.008	-0.001	31.750	-1.084	-1.084	0.000	0.000	0.000	0.000
787	C	320	ILE	0	-0.013	-0.001	25.501	1.075	1.075	0.000	0.000	0.000	0.000
788	C	321	HIS	1	0.799	0.916	28.661	-37.981	-37.981	0.000	0.000	0.000	0.000
789	C	322	VAL	0	0.007	-0.004	28.643	1.419	1.419	0.000	0.000	0.000	0.000
790	C	323	GLY	0	0.026	0.014	30.476	0.316	0.316	0.000	0.000	0.000	0.000
791	C	324	THR	0	0.008	-0.005	31.771	-0.710	-0.710	0.000	0.000	0.000	0.000
792	C	325	MET	0	-0.040	-0.002	33.489	-1.303	-1.303	0.000	0.000	0.000	0.000
793	C	326	GLY	0	0.024	0.024	34.264	-0.685	-0.685	0.000	0.000	0.000	0.000
794	C	327	TYR	0	-0.060	-0.035	35.708	-0.713	-0.713	0.000	0.000	0.000	0.000
795	C	328	GLY	0	-0.009	-0.015	36.513	-0.849	-0.849	0.000	0.000	0.000	0.000
796	C	329	LYS	1	0.765	0.874	32.776	-34.196	-34.196	0.000	0.000	0.000	0.000
797	C	330	MET	0	-0.026	0.012	29.591	0.521	0.521	0.000	0.000	0.000	0.000
798	C	331	GLU	-1	-0.880	-0.929	26.332	42.430	42.430	0.000	0.000	0.000	0.000
799	C	332	GLY	0	0.000	-0.008	29.095	1.040	1.040	0.000	0.000	0.000	0.000
800	C	333	GLY	0	-0.014	-0.007	31.412	-0.946	-0.946	0.000	0.000	0.000	0.000
801	C	334	LYS	1	0.963	0.974	34.056	-29.510	-29.510	0.000	0.000	0.000	0.000
802	C	335	ASP	-1	-0.869	-0.935	33.553	33.819	33.819	0.000	0.000	0.000	0.000
803	C	336	ASP	-1	-0.835	-0.930	30.626	39.181	39.181	0.000	0.000	0.000	0.000
804	C	337	ARG	1	0.895	0.944	32.654	-31.106	-31.106	0.000	0.000	0.000	0.000
805	C	338	ILE	0	-0.014	-0.002	31.127	-0.345	-0.345	0.000	0.000	0.000	0.000
806	C	339	ILE	0	-0.011	-0.013	28.378	0.623	0.623	0.000	0.000	0.000	0.000
807	C	340	ALA	0	-0.008	0.000	31.109	0.290	0.290	0.000	0.000	0.000	0.000
808	C	341	TYR	0	-0.056	-0.048	33.989	-0.217	-0.217	0.000	0.000	0.000	0.000
809	C	342	MET	0	-0.011	-0.005	28.988	-0.351	-0.351	0.000	0.000	0.000	0.000
810	C	343	ILE	0	-0.034	-0.017	29.292	0.437	0.437	0.000	0.000	0.000	0.000
811	C	344	GLU	-1	-0.814	-0.909	31.906	31.605	31.605	0.000	0.000	0.000	0.000
812	C	345	ARG	1	0.924	0.969	35.479	-32.235	-32.235	0.000	0.000	0.000	0.000
813	C	346	ASP	-1	-0.873	-0.936	35.297	33.159	33.159	0.000	0.000	0.000	0.000
814	C	347	SER	0	-0.020	-0.057	35.829	0.558	0.558	0.000	0.000	0.000	0.000
815	C	348	CYS	0	-0.076	-0.029	33.636	-0.898	-0.898	0.000	0.000	0.000	0.000
816	C	349	THR	0	-0.029	-0.011	33.049	0.490	0.490	0.000	0.000	0.000	0.000
817	C	350	GLY	0	0.000	0.006	29.544	-0.471	-0.471	0.000	0.000	0.000	0.000
818	C	351	PRO	0	-0.036	-0.023	27.522	-0.798	-0.798	0.000	0.000	0.000	0.000
819	C	352	PHE	0	-0.051	-0.031	25.894	-0.155	-0.155	0.000	0.000	0.000	0.000
820	C	353	TYR	0	-0.021	0.003	23.695	0.151	0.151	0.000	0.000	0.000	0.000
821	C	354	HIS	0	-0.016	-0.013	29.092	-0.131	-0.131	0.000	0.000	0.000	0.000
822	C	355	GLN	0	-0.026	-0.036	28.050	2.405	2.405	0.000	0.000	0.000	0.000
823	C	356	GLU	-1	-0.776	-0.832	31.535	31.976	31.976	0.000	0.000	0.000	0.000
824	C	357	TRP	0	0.022	-0.017	27.740	1.759	1.759	0.000	0.000	0.000	0.000
825	C	358	TYR	0	-0.046	-0.023	32.694	-0.109	-0.109	0.000	0.000	0.000	0.000
826	C	359	GLY	0	0.011	0.011	35.994	-0.179	-0.179	0.000	0.000	0.000	0.000
827	C	360	MET	0	-0.051	-0.004	28.839	0.040	0.040	0.000	0.000	0.000	0.000
828	C	361	LYS	1	0.927	0.963	34.261	-32.185	-32.185	0.000	0.000	0.000	0.000
829	C	362	PRO	0	-0.004	0.015	33.446	1.167	1.167	0.000	0.000	0.000	0.000
830	C	363	THR	0	-0.019	-0.002	29.920	-0.149	-0.149	0.000	0.000	0.000	0.000
831	C	364	THR	0	-0.018	-0.029	32.955	-0.690	-0.690	0.000	0.000	0.000	0.000
832	C	365	PRO	0	0.028	0.023	33.492	1.004	1.004	0.000	0.000	0.000	0.000
833	C	366	ILE	0	-0.022	-0.008	32.443	-1.123	-1.123	0.000	0.000	0.000	0.000
834	C	367	ILE	0	-0.039	-0.019	33.442	0.865	0.865	0.000	0.000	0.000	0.000
835	C	368	SER	0	-0.026	-0.034	33.083	-0.710	-0.710	0.000	0.000	0.000	0.000
836	C	369	GLY	0	0.087	0.050	33.507	0.783	0.783	0.000	0.000	0.000	0.000
837	C	370	GLY	0	0.019	0.014	34.621	0.081	0.081	0.000	0.000	0.000	0.000
838	C	371	MET	0	-0.065	-0.021	37.622	-0.550	-0.550	0.000	0.000	0.000	0.000
839	C	372	ASN	0	0.043	-0.007	40.118	-0.489	-0.489	0.000	0.000	0.000	0.000
840	C	373	ALA	0	0.031	0.014	43.794	0.133	0.133	0.000	0.000	0.000	0.000
841	C	374	LEU	0	-0.002	0.000	46.814	-0.176	-0.176	0.000	0.000	0.000	0.000
842	C	375	ARG	1	0.783	0.881	39.935	-29.051	-29.051	0.000	0.000	0.000	0.000
843	C	376	LEU	0	-0.029	-0.001	42.140	0.333	0.333	0.000	0.000	0.000	0.000
844	C	377	PRO	0	0.018	0.011	44.382	0.276	0.276	0.000	0.000	0.000	0.000
845	C	378	GLY	0	0.003	0.009	44.659	0.008	0.008	0.000	0.000	0.000	0.000
846	C	379	PHE	0	-0.003	-0.004	36.778	0.348	0.348	0.000	0.000	0.000	0.000
847	C	380	PHE	0	0.013	-0.013	41.593	0.479	0.479	0.000	0.000	0.000	0.000
848	C	381	GLU	-1	-0.927	-0.935	43.868	25.565	25.565	0.000	0.000	0.000	0.000
849	C	382	ASN	0	-0.050	-0.020	38.019	-0.005	-0.005	0.000	0.000	0.000	0.000
850	C	383	LEU	0	-0.031	-0.011	37.792	0.499	0.499	0.000	0.000	0.000	0.000
851	C	384	GLY	0	0.028	0.022	40.857	0.295	0.295	0.000	0.000	0.000	0.000
852	C	385	HIS	0	-0.061	-0.041	39.518	-1.219	-1.219	0.000	0.000	0.000	0.000
853	C	386	GLY	0	0.055	0.010	43.145	0.304	0.304	0.000	0.000	0.000	0.000
854	C	387	ASN	0	-0.099	-0.033	41.844	-0.624	-0.624	0.000	0.000	0.000	0.000
855	C	388	VAL	0	0.002	-0.004	38.674	0.729	0.729	0.000	0.000	0.000	0.000
856	C	389	ILE	0	0.017	0.018	36.953	-0.751	-0.751	0.000	0.000	0.000	0.000
857	C	390	ASN	0	-0.027	-0.017	37.823	0.117	0.117	0.000	0.000	0.000	0.000
858	C	391	THR	0	0.000	0.001	36.146	-0.307	-0.307	0.000	0.000	0.000	0.000
859	C	392	ALA	0	0.047	0.019	37.800	0.609	0.609	0.000	0.000	0.000	0.000
860	C	393	GLY	0	-0.004	0.004	38.519	-0.740	-0.740	0.000	0.000	0.000	0.000
861	C	394	GLY	0	0.076	0.015	39.360	-0.767	-0.767	0.000	0.000	0.000	0.000
862	C	395	GLY	0	-0.041	-0.018	41.223	-0.734	-0.734	0.000	0.000	0.000	0.000
863	C	396	SER	0	-0.038	-0.024	43.038	-0.872	-0.872	0.000	0.000	0.000	0.000
864	C	397	TYR	0	-0.032	-0.047	41.836	-0.543	-0.543	0.000	0.000	0.000	0.000
865	C	398	GLY	0	0.051	0.023	44.629	-0.283	-0.283	0.000	0.000	0.000	0.000
866	C	399	HIS	0	-0.078	-0.030	45.675	-0.384	-0.384	0.000	0.000	0.000	0.000
867	C	400	ILE	0	0.004	-0.012	48.999	-0.126	-0.126	0.000	0.000	0.000	0.000
868	C	401	ASP	-1	-0.876	-0.897	52.007	21.327	21.327	0.000	0.000	0.000	0.000
869	C	402	SER	0	0.009	-0.013	51.458	-0.060	-0.060	0.000	0.000	0.000	0.000
870	C	403	PRO	0	0.062	0.032	46.741	0.096	0.096	0.000	0.000	0.000	0.000
871	C	404	ALA	0	0.037	0.037	48.366	0.291	0.291	0.000	0.000	0.000	0.000
872	C	405	ALA	0	-0.015	-0.012	50.801	-0.027	-0.027	0.000	0.000	0.000	0.000
873	C	406	GLY	0	0.058	0.024	48.017	0.021	0.021	0.000	0.000	0.000	0.000
874	C	407	ALA	0	0.007	0.012	47.001	0.291	0.291	0.000	0.000	0.000	0.000
875	C	408	VAL	0	-0.021	-0.007	48.017	0.141	0.141	0.000	0.000	0.000	0.000
876	C	409	SER	0	-0.070	-0.037	48.885	0.040	0.040	0.000	0.000	0.000	0.000
877	C	410	LEU	0	0.006	-0.005	43.793	0.032	0.032	0.000	0.000	0.000	0.000
878	C	411	ARG	1	0.832	0.913	47.482	-24.576	-24.576	0.000	0.000	0.000	0.000
879	C	412	GLN	0	0.031	-0.005	49.387	-0.040	-0.040	0.000	0.000	0.000	0.000
880	C	413	ALA	0	0.018	0.021	48.008	-0.241	-0.241	0.000	0.000	0.000	0.000
881	C	414	TYR	0	0.001	-0.003	46.627	-0.141	-0.141	0.000	0.000	0.000	0.000
882	C	415	GLU	-1	-0.983	-1.005	48.790	22.692	22.692	0.000	0.000	0.000	0.000
883	C	416	CYS	0	-0.024	0.004	52.038	-0.387	-0.387	0.000	0.000	0.000	0.000
884	C	417	TRP	0	-0.025	-0.020	46.834	-0.187	-0.187	0.000	0.000	0.000	0.000
885	C	418	LYS	1	0.916	0.968	50.306	-24.133	-24.133	0.000	0.000	0.000	0.000
886	C	419	ALA	0	-0.049	-0.025	51.750	-0.189	-0.189	0.000	0.000	0.000	0.000
887	C	420	GLY	0	-0.010	0.014	53.674	-0.353	-0.353	0.000	0.000	0.000	0.000
888	C	421	ALA	0	-0.043	-0.015	54.811	-0.381	-0.381	0.000	0.000	0.000	0.000
889	C	422	ASP	-1	-0.799	-0.916	55.080	21.842	21.842	0.000	0.000	0.000	0.000
890	C	423	PRO	0	0.021	0.003	52.371	-0.202	-0.202	0.000	0.000	0.000	0.000
891	C	424	ILE	0	0.006	-0.004	54.764	-0.130	-0.130	0.000	0.000	0.000	0.000
892	C	425	GLU	-1	-0.903	-0.967	57.381	19.441	19.441	0.000	0.000	0.000	0.000
893	C	426	TRP	0	-0.017	-0.007	54.566	-0.408	-0.408	0.000	0.000	0.000	0.000
894	C	427	ALA	0	-0.022	-0.008	56.091	-0.064	-0.064	0.000	0.000	0.000	0.000
895	C	428	LYS	1	0.858	0.933	57.623	-19.529	-19.529	0.000	0.000	0.000	0.000
896	C	429	GLU	-1	-0.939	-0.954	60.438	18.850	18.850	0.000	0.000	0.000	0.000
897	C	430	HIS	1	0.803	0.904	56.443	-21.141	-21.141	0.000	0.000	0.000	0.000
898	C	431	LYS	1	0.992	1.009	57.162	-20.656	-20.656	0.000	0.000	0.000	0.000
899	C	432	GLU	-1	-0.847	-0.930	53.186	21.695	21.695	0.000	0.000	0.000	0.000
900	C	433	PHE	0	0.000	-0.015	50.025	0.343	0.343	0.000	0.000	0.000	0.000
901	C	434	ALA	0	0.025	0.012	53.139	0.277	0.277	0.000	0.000	0.000	0.000
902	C	435	ARG	1	0.788	0.877	54.684	-21.272	-21.272	0.000	0.000	0.000	0.000
903	C	436	ALA	0	0.024	0.023	49.424	0.245	0.245	0.000	0.000	0.000	0.000
904	C	437	PHE	0	-0.025	-0.019	50.234	0.446	0.446	0.000	0.000	0.000	0.000
905	C	438	GLU	-1	-0.922	-0.975	51.960	21.367	21.367	0.000	0.000	0.000	0.000
906	C	439	SER	0	-0.036	-0.002	48.929	0.046	0.046	0.000	0.000	0.000	0.000
907	C	440	PHE	0	-0.030	-0.008	44.580	0.476	0.476	0.000	0.000	0.000	0.000
908	C	441	PRO	0	0.058	0.029	48.095	0.120	0.120	0.000	0.000	0.000	0.000
909	C	442	LYS	1	0.942	0.959	45.129	-26.362	-26.362	0.000	0.000	0.000	0.000
910	C	443	ASP	-1	-0.743	-0.868	43.959	27.777	27.777	0.000	0.000	0.000	0.000
911	C	444	ALA	0	0.015	0.010	46.668	-0.016	-0.016	0.000	0.000	0.000	0.000
912	C	445	ASP	-1	-0.886	-0.921	50.311	22.932	22.932	0.000	0.000	0.000	0.000
913	C	446	LYS	1	0.866	0.940	42.840	-27.670	-27.670	0.000	0.000	0.000	0.000
914	C	447	LEU	0	-0.048	-0.016	45.265	-0.028	-0.028	0.000	0.000	0.000	0.000
915	C	448	PHE	0	-0.022	-0.017	49.191	-0.235	-0.235	0.000	0.000	0.000	0.000
916	C	449	PRO	0	0.044	0.019	52.261	-0.410	-0.410	0.000	0.000	0.000	0.000
917	C	450	GLY	0	0.000	0.000	54.907	-0.249	-0.249	0.000	0.000	0.000	0.000
918	C	451	TRP	0	-0.068	-0.071	53.545	-0.509	-0.509	0.000	0.000	0.000	0.000
919	C	452	ARG	1	0.920	0.967	53.821	-22.206	-22.206	0.000	0.000	0.000	0.000
920	C	453	GLU	-1	-0.897	-0.939	59.215	20.041	20.041	0.000	0.000	0.000	0.000
921	C	454	LYS	1	0.867	0.952	59.499	-20.894	-20.894	0.000	0.000	0.000	0.000
922	C	455	LEU	0	-0.016	-0.004	60.824	0.124	0.124	0.000	0.000	0.000	0.000
924	C	800	CAP	-4	-3.194	-3.661	28.343	141.391	141.391	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #923(A:800:CAP)