FMO DATABASE

FMODB ID: LJNV9

Calculation Name: 3A12-AC-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 3A12

Chain ID: AC

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	-26624137.554709
FMO2-HF: Nuclear repulsion	26279691.021894
FMO2-HF: Total energy	-344446.532815
FMO2-MP2: Total energy	-345460.345869

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.
-504.261	-506.813	183.250	-93.217	-87.476	-0.702

Interactive mode: IFIE and PIEDA for fragment #439(A:446:CAP)

Summations of interaction energy for fragment #439(A:446: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.
-504.261	-506.813	183.25	-93.217	-87.476	0.702

Interaction energy analysis for fragmet #439(A:446:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.221 / q_NPA : -3.661

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	0.040	0.027	2.027	-11.157	-9.827	1.389	-1.036	-1.682	-0.001
155	A	162	PRO	0	-0.041	-0.022	4.869	12.202	12.331	-0.001	-0.005	-0.123	0.000
156	A	163	LYS	1	0.831	0.908	1.919	-228.377	-227.391	9.691	-4.740	-5.937	0.059
158	A	165	LYS	1	0.780	0.889	4.493	-154.095	-153.803	-0.001	-0.065	-0.226	0.000
182	A	189	KCX	-1	-0.434	-0.738	1.539	170.629	155.679	38.772	-14.750	-9.072	-0.130
184	A	191	ASP	0	0.210	0.063	4.382	6.124	6.280	-0.001	-0.034	-0.120	0.000
185	A	192	GLU	0	0.199	0.001	3.980	-14.414	-14.023	-0.001	-0.099	-0.291	0.000
275	A	281	HIS	0	0.092	-0.007	1.846	0.544	-1.901	11.003	-3.795	-4.763	0.011
276	A	282	ARG	1	0.767	0.846	1.837	-287.249	-284.740	22.756	-14.864	-10.400	0.203
279	A	285	HIS	1	0.912	0.950	3.669	-167.511	-166.392	0.012	-0.550	-0.580	0.004
308	A	314	HIS	0	0.023	0.029	1.804	-54.781	-54.212	13.127	-7.107	-6.589	0.087
309	A	315	VAL	0	-0.001	-0.008	4.716	-6.147	-5.957	-0.001	-0.023	-0.166	0.000
310	A	316	GLY	0	0.041	0.013	3.768	-11.936	-11.208	0.012	-0.368	-0.372	0.002
311	A	317	THR	0	0.036	0.034	4.759	-17.099	-16.937	-0.001	-0.015	-0.145	0.000
316	A	322	LYS	1	0.789	0.895	2.280	-261.068	-255.826	2.864	-4.070	-4.036	0.055
317	A	323	LEU	0	-0.015	-0.005	2.625	-20.808	-19.200	4.363	-2.297	-3.674	0.025
318	A	324	GLU	-1	-0.985	-1.018	5.689	97.546	97.620	-0.001	-0.001	-0.071	0.000
359	A	365	THR	0	-0.008	0.007	5.192	-5.658	-5.632	-0.001	-0.003	-0.023	0.000
360	A	366	SER	0	-0.045	-0.054	4.990	14.915	15.095	-0.001	-0.007	-0.172	0.000
361	A	367	SER	0	0.023	-0.026	1.654	-30.641	-35.723	20.973	-9.061	-6.831	0.048
362	A	368	GLY	0	0.081	0.051	2.184	4.821	8.169	6.579	-5.069	-4.859	0.023
363	A	369	GLY	0	-0.079	-0.042	1.694	-55.331	-63.479	17.006	-4.186	-4.672	0.081
364	A	370	LEU	0	-0.027	-0.005	3.678	-35.373	-34.162	0.029	-0.564	-0.676	0.007
365	A	371	HIS	0	0.013	-0.025	5.127	7.397	7.567	-0.001	-0.007	-0.163	0.000
383	A	389	GLN	0	0.053	0.006	2.090	-32.460	-30.224	5.908	-3.730	-4.413	0.029
384	A	390	LEU	0	-0.083	-0.042	3.262	12.240	13.557	0.084	-0.624	-0.777	0.004
385	A	391	GLY	0	0.120	0.069	1.826	-37.186	-39.882	11.297	-5.060	-3.541	0.064
386	A	392	GLY	0	0.005	-0.015	1.849	-55.745	-58.018	9.521	-3.536	-3.711	0.063
387	A	393	GLY	0	-0.041	-0.015	3.701	-32.333	-31.536	0.026	-0.388	-0.435	0.005
487	C	54	THR	0	-0.031	-0.025	2.118	1.284	3.324	3.249	-2.869	-2.420	0.041
488	C	55	TRP	0	-0.007	-0.002	2.868	-53.069	-49.301	1.182	-2.279	-2.671	0.027
544	C	111	ASN	0	0.099	-0.010	2.445	-1.692	0.693	3.418	-2.008	-3.795	-0.005
545	C	112	ILE	0	0.004	0.007	4.965	3.949	4.028	-0.001	-0.007	-0.070	0.000
1	A	8	ILE	0	-0.036	-0.024	39.651	0.042	0.042	0.000	0.000	0.000	0.000
2	A	9	TYR	0	-0.047	-0.055	35.111	0.025	0.025	0.000	0.000	0.000	0.000
3	A	10	ASP	-1	-0.897	-0.960	37.727	29.437	29.437	0.000	0.000	0.000	0.000
4	A	11	TYR	0	-0.011	0.000	39.284	-0.166	-0.166	0.000	0.000	0.000	0.000
5	A	12	TYR	0	-0.038	-0.022	34.954	-0.257	-0.257	0.000	0.000	0.000	0.000
6	A	13	VAL	0	-0.044	-0.011	35.319	1.114	1.114	0.000	0.000	0.000	0.000
7	A	14	ASP	-1	-0.853	-0.941	36.594	28.486	28.486	0.000	0.000	0.000	0.000
8	A	15	LYS	1	0.816	0.903	36.257	-31.074	-31.074	0.000	0.000	0.000	0.000
9	A	16	GLY	0	-0.029	0.005	37.974	0.049	0.049	0.000	0.000	0.000	0.000
10	A	17	TYR	0	-0.118	-0.097	34.298	-0.382	-0.382	0.000	0.000	0.000	0.000
11	A	18	GLU	-1	-0.900	-0.955	36.266	32.680	32.680	0.000	0.000	0.000	0.000
12	A	19	PRO	0	-0.024	0.006	31.868	-0.245	-0.245	0.000	0.000	0.000	0.000
13	A	20	SER	0	-0.001	-0.005	34.200	-0.115	-0.115	0.000	0.000	0.000	0.000
14	A	21	LYS	1	0.991	0.970	31.375	-34.945	-34.945	0.000	0.000	0.000	0.000
15	A	22	LYS	1	0.822	0.904	31.100	-34.809	-34.809	0.000	0.000	0.000	0.000
16	A	23	ARG	1	0.936	0.955	33.019	-29.779	-29.779	0.000	0.000	0.000	0.000
17	A	24	ASP	-1	-0.704	-0.776	31.167	33.863	33.863	0.000	0.000	0.000	0.000
18	A	25	ILE	0	0.001	0.010	25.180	0.929	0.929	0.000	0.000	0.000	0.000
19	A	26	ILE	0	-0.055	-0.018	26.182	-1.138	-1.138	0.000	0.000	0.000	0.000
20	A	27	ALA	0	0.008	0.020	23.368	1.933	1.933	0.000	0.000	0.000	0.000
21	A	28	VAL	0	-0.012	-0.002	21.884	-1.976	-1.976	0.000	0.000	0.000	0.000
22	A	29	PHE	0	0.039	-0.001	21.653	2.700	2.700	0.000	0.000	0.000	0.000
23	A	30	ARG	1	0.868	0.941	19.447	-53.453	-53.453	0.000	0.000	0.000	0.000
24	A	31	VAL	0	0.009	-0.004	22.736	0.791	0.791	0.000	0.000	0.000	0.000
25	A	32	THR	0	0.003	-0.003	24.824	-0.020	-0.020	0.000	0.000	0.000	0.000
26	A	33	PRO	0	0.026	0.024	26.669	0.397	0.397	0.000	0.000	0.000	0.000
27	A	34	ALA	0	-0.074	-0.027	29.942	0.488	0.488	0.000	0.000	0.000	0.000
28	A	35	GLU	-1	-0.945	-0.990	31.263	33.266	33.266	0.000	0.000	0.000	0.000
29	A	36	GLY	0	0.003	0.004	33.984	-0.520	-0.520	0.000	0.000	0.000	0.000
30	A	37	TYR	0	-0.017	-0.015	34.036	-0.833	-0.833	0.000	0.000	0.000	0.000
31	A	38	THR	0	0.025	0.005	34.675	0.731	0.731	0.000	0.000	0.000	0.000
32	A	39	ILE	0	0.069	0.027	29.262	0.478	0.478	0.000	0.000	0.000	0.000
33	A	40	GLU	-1	-0.834	-0.925	32.716	32.744	32.744	0.000	0.000	0.000	0.000
34	A	41	GLN	0	0.024	0.027	35.333	0.418	0.418	0.000	0.000	0.000	0.000
35	A	42	ALA	0	-0.014	-0.008	30.383	0.119	0.119	0.000	0.000	0.000	0.000
36	A	43	ALA	0	0.020	0.006	30.381	0.681	0.681	0.000	0.000	0.000	0.000
37	A	44	GLY	0	0.031	0.017	31.437	0.237	0.237	0.000	0.000	0.000	0.000
38	A	45	ALA	0	-0.017	-0.009	32.172	-0.099	-0.099	0.000	0.000	0.000	0.000
39	A	46	VAL	0	0.011	0.010	26.648	0.291	0.291	0.000	0.000	0.000	0.000
40	A	47	ALA	0	0.032	0.028	29.363	0.543	0.543	0.000	0.000	0.000	0.000
41	A	48	ALA	0	-0.028	-0.009	31.294	-0.164	-0.164	0.000	0.000	0.000	0.000
42	A	49	GLU	-1	-0.846	-0.928	30.235	34.224	34.224	0.000	0.000	0.000	0.000
43	A	50	SER	0	-0.026	0.008	27.372	0.584	0.584	0.000	0.000	0.000	0.000
44	A	51	SER	0	0.011	0.000	29.071	-0.063	-0.063	0.000	0.000	0.000	0.000
45	A	52	THR	0	0.025	-0.018	32.086	-0.028	-0.028	0.000	0.000	0.000	0.000
46	A	53	GLY	0	-0.026	-0.003	34.879	-0.832	-0.832	0.000	0.000	0.000	0.000
47	A	54	THR	0	0.018	-0.015	36.228	0.052	0.052	0.000	0.000	0.000	0.000
48	A	55	TRP	0	-0.010	0.009	36.921	-0.452	-0.452	0.000	0.000	0.000	0.000
49	A	56	THR	0	-0.010	-0.001	38.522	-0.692	-0.692	0.000	0.000	0.000	0.000
50	A	57	THR	0	-0.025	-0.016	42.271	0.136	0.136	0.000	0.000	0.000	0.000
51	A	58	LEU	0	0.019	0.008	41.419	-0.301	-0.301	0.000	0.000	0.000	0.000
52	A	59	TYR	0	0.005	-0.003	45.335	-0.478	-0.478	0.000	0.000	0.000	0.000
53	A	60	PRO	0	-0.001	-0.013	46.998	0.428	0.428	0.000	0.000	0.000	0.000
54	A	61	TRP	0	-0.057	-0.029	42.175	-0.764	-0.764	0.000	0.000	0.000	0.000
55	A	62	TYR	0	0.000	0.013	44.172	0.036	0.036	0.000	0.000	0.000	0.000
56	A	63	GLU	-1	-0.930	-0.976	45.991	24.925	24.925	0.000	0.000	0.000	0.000
57	A	64	GLN	0	-0.028	-0.031	45.078	0.085	0.085	0.000	0.000	0.000	0.000
58	A	65	GLU	-1	-0.922	-0.962	44.660	25.823	25.823	0.000	0.000	0.000	0.000
59	A	66	ARG	1	0.869	0.938	41.023	-26.358	-26.358	0.000	0.000	0.000	0.000
60	A	67	TRP	0	0.005	-0.002	39.499	0.525	0.525	0.000	0.000	0.000	0.000
61	A	68	ALA	0	-0.030	-0.021	39.729	0.796	0.796	0.000	0.000	0.000	0.000
62	A	69	ASP	-1	-0.879	-0.922	40.034	29.686	29.686	0.000	0.000	0.000	0.000
63	A	70	LEU	0	-0.011	-0.002	36.203	0.739	0.739	0.000	0.000	0.000	0.000
64	A	71	SER	0	-0.057	-0.002	35.192	0.987	0.987	0.000	0.000	0.000	0.000
65	A	72	ALA	0	-0.015	0.002	31.437	-0.109	-0.109	0.000	0.000	0.000	0.000
66	A	73	LYS	1	0.860	0.936	33.121	-31.827	-31.827	0.000	0.000	0.000	0.000
67	A	74	ALA	0	0.001	-0.001	31.783	1.026	1.026	0.000	0.000	0.000	0.000
68	A	75	TYR	0	0.032	0.002	29.545	-0.619	-0.619	0.000	0.000	0.000	0.000
69	A	76	ASP	-1	-0.963	-0.972	30.336	36.488	36.488	0.000	0.000	0.000	0.000
70	A	77	PHE	0	-0.003	-0.016	30.334	0.929	0.929	0.000	0.000	0.000	0.000
71	A	78	HIS	0	0.040	0.018	27.197	-1.416	-1.416	0.000	0.000	0.000	0.000
72	A	79	ASP	-1	-0.897	-0.967	28.305	38.341	38.341	0.000	0.000	0.000	0.000
73	A	80	MET	0	-0.064	-0.018	22.546	0.338	0.338	0.000	0.000	0.000	0.000
74	A	81	GLY	0	-0.011	0.011	27.044	0.474	0.474	0.000	0.000	0.000	0.000
75	A	82	ASP	-1	-0.775	-0.881	24.034	45.706	45.706	0.000	0.000	0.000	0.000
76	A	83	GLY	0	-0.016	-0.005	27.388	0.230	0.230	0.000	0.000	0.000	0.000
77	A	84	SER	0	-0.098	-0.060	24.433	0.596	0.596	0.000	0.000	0.000	0.000
78	A	85	TRP	0	0.058	0.026	26.528	-0.673	-0.673	0.000	0.000	0.000	0.000
79	A	86	ILE	0	-0.004	0.004	22.407	1.290	1.290	0.000	0.000	0.000	0.000
80	A	87	VAL	0	-0.017	-0.025	25.644	-1.802	-1.802	0.000	0.000	0.000	0.000
81	A	88	ARG	1	0.927	0.985	26.270	-38.982	-38.982	0.000	0.000	0.000	0.000
82	A	89	ILE	0	0.006	-0.008	27.420	-1.613	-1.613	0.000	0.000	0.000	0.000
83	A	90	ALA	0	-0.021	-0.001	28.186	1.345	1.345	0.000	0.000	0.000	0.000
84	A	91	TYR	0	-0.001	-0.032	27.085	-0.495	-0.495	0.000	0.000	0.000	0.000
85	A	92	PRO	0	0.075	0.068	31.064	0.740	0.740	0.000	0.000	0.000	0.000
86	A	93	PHE	0	0.042	-0.023	30.807	0.136	0.136	0.000	0.000	0.000	0.000
87	A	94	HIS	0	-0.103	-0.042	31.777	1.290	1.290	0.000	0.000	0.000	0.000
88	A	95	ALA	0	0.027	0.013	32.164	-0.773	-0.773	0.000	0.000	0.000	0.000
89	A	96	PHE	0	-0.040	-0.021	28.090	0.269	0.269	0.000	0.000	0.000	0.000
90	A	97	GLU	-1	-0.760	-0.842	29.958	36.131	36.131	0.000	0.000	0.000	0.000
91	A	98	GLU	-1	-0.936	-0.971	29.242	34.654	34.654	0.000	0.000	0.000	0.000
92	A	99	ALA	0	-0.010	-0.006	26.561	-0.072	-0.072	0.000	0.000	0.000	0.000
93	A	100	ASN	0	0.040	0.022	25.806	1.952	1.952	0.000	0.000	0.000	0.000
94	A	101	LEU	0	-0.008	-0.005	18.239	0.091	0.091	0.000	0.000	0.000	0.000
95	A	102	PRO	0	0.038	0.010	21.321	0.667	0.667	0.000	0.000	0.000	0.000
96	A	103	GLY	0	0.085	0.032	22.462	-0.135	-0.135	0.000	0.000	0.000	0.000
97	A	104	LEU	0	-0.045	-0.009	23.186	-0.542	-0.542	0.000	0.000	0.000	0.000
98	A	105	LEU	0	-0.026	-0.037	17.843	-0.041	-0.041	0.000	0.000	0.000	0.000
99	A	106	ALA	0	0.020	0.020	21.859	0.437	0.437	0.000	0.000	0.000	0.000
100	A	107	SER	0	-0.053	-0.017	24.402	-1.548	-1.548	0.000	0.000	0.000	0.000
101	A	108	ILE	0	-0.045	-0.028	21.175	-0.120	-0.120	0.000	0.000	0.000	0.000
102	A	109	ALA	0	-0.025	-0.017	19.154	1.428	1.428	0.000	0.000	0.000	0.000
103	A	110	GLY	0	0.100	0.046	20.793	1.460	1.460	0.000	0.000	0.000	0.000
104	A	111	ASN	0	0.077	-0.009	23.446	2.048	2.048	0.000	0.000	0.000	0.000
105	A	112	ILE	0	-0.004	0.011	23.424	-0.205	-0.205	0.000	0.000	0.000	0.000
106	A	113	PHE	0	0.009	0.016	19.056	-0.445	-0.445	0.000	0.000	0.000	0.000
107	A	114	GLY	0	0.007	-0.002	23.352	0.587	0.587	0.000	0.000	0.000	0.000
108	A	115	MET	0	-0.038	0.011	25.922	-1.878	-1.878	0.000	0.000	0.000	0.000
109	A	116	LYS	1	0.912	0.966	28.534	-33.611	-33.611	0.000	0.000	0.000	0.000
110	A	117	ARG	1	0.844	0.902	30.972	-32.514	-32.514	0.000	0.000	0.000	0.000
111	A	118	VAL	0	-0.001	0.023	26.276	-0.451	-0.451	0.000	0.000	0.000	0.000
112	A	119	LYS	1	0.895	0.938	25.586	-40.713	-40.713	0.000	0.000	0.000	0.000
113	A	120	GLY	0	-0.006	-0.001	23.044	1.370	1.370	0.000	0.000	0.000	0.000
114	A	121	LEU	0	0.001	0.003	21.899	-1.721	-1.721	0.000	0.000	0.000	0.000
115	A	122	ARG	1	0.900	0.958	12.497	-68.427	-68.427	0.000	0.000	0.000	0.000
116	A	123	LEU	0	-0.010	0.019	18.093	-1.582	-1.582	0.000	0.000	0.000	0.000
117	A	124	GLU	-1	-0.854	-0.959	17.064	65.031	65.031	0.000	0.000	0.000	0.000
118	A	125	ASP	-1	-0.831	-0.943	17.539	57.250	57.250	0.000	0.000	0.000	0.000
119	A	126	LEU	0	0.014	0.008	19.149	-1.922	-1.922	0.000	0.000	0.000	0.000
120	A	127	TYR	0	-0.111	-0.050	21.044	1.163	1.163	0.000	0.000	0.000	0.000
121	A	128	PHE	0	0.049	0.010	21.375	-1.095	-1.095	0.000	0.000	0.000	0.000
122	A	129	PRO	0	0.057	0.035	24.908	0.100	0.100	0.000	0.000	0.000	0.000
123	A	130	GLU	-1	-0.856	-0.932	27.628	36.434	36.434	0.000	0.000	0.000	0.000
124	A	131	LYS	1	0.864	0.938	28.937	-34.170	-34.170	0.000	0.000	0.000	0.000
125	A	132	LEU	0	0.103	0.050	25.201	-0.151	-0.151	0.000	0.000	0.000	0.000
126	A	133	ILE	0	-0.078	-0.021	23.015	0.902	0.902	0.000	0.000	0.000	0.000
127	A	134	ARG	1	0.826	0.864	25.086	-36.787	-36.787	0.000	0.000	0.000	0.000
128	A	135	GLU	-1	-0.854	-0.896	26.512	38.522	38.522	0.000	0.000	0.000	0.000
129	A	136	PHE	0	-0.068	-0.028	20.780	0.887	0.887	0.000	0.000	0.000	0.000
130	A	137	ASP	-1	-0.849	-0.922	22.986	43.009	43.009	0.000	0.000	0.000	0.000
131	A	138	GLY	0	-0.062	-0.023	19.661	-0.206	-0.206	0.000	0.000	0.000	0.000
132	A	139	PRO	0	-0.043	-0.004	16.890	-0.753	-0.753	0.000	0.000	0.000	0.000
133	A	140	ALA	0	0.034	0.028	19.144	-2.523	-2.523	0.000	0.000	0.000	0.000
134	A	141	PHE	0	-0.110	-0.046	18.910	-2.204	-2.204	0.000	0.000	0.000	0.000
135	A	142	GLY	0	0.019	-0.008	17.414	-1.803	-1.803	0.000	0.000	0.000	0.000
136	A	143	ILE	0	-0.024	-0.008	15.300	0.719	0.719	0.000	0.000	0.000	0.000
137	A	144	GLU	-1	-0.915	-0.971	17.637	53.685	53.685	0.000	0.000	0.000	0.000
138	A	145	GLY	0	-0.030	-0.018	20.894	-1.577	-1.577	0.000	0.000	0.000	0.000
139	A	146	VAL	0	0.040	0.020	15.563	-1.311	-1.311	0.000	0.000	0.000	0.000
140	A	147	ARG	1	0.799	0.864	17.416	-63.529	-63.529	0.000	0.000	0.000	0.000
141	A	148	LYS	1	0.891	0.949	20.149	-47.120	-47.120	0.000	0.000	0.000	0.000
142	A	149	MET	0	-0.036	-0.001	17.449	-1.674	-1.674	0.000	0.000	0.000	0.000
143	A	150	LEU	0	-0.014	-0.013	15.814	-0.331	-0.331	0.000	0.000	0.000	0.000
144	A	151	GLU	-1	-0.946	-0.973	20.396	45.468	45.468	0.000	0.000	0.000	0.000
145	A	152	ILE	0	-0.061	-0.016	17.425	-0.707	-0.707	0.000	0.000	0.000	0.000
146	A	153	LYS	1	0.879	0.943	20.796	-46.432	-46.432	0.000	0.000	0.000	0.000
147	A	154	ASP	-1	-0.852	-0.925	21.313	50.831	50.831	0.000	0.000	0.000	0.000
148	A	155	ARG	1	0.775	0.870	15.524	-66.113	-66.113	0.000	0.000	0.000	0.000
149	A	156	PRO	0	0.045	0.012	13.546	-0.526	-0.526	0.000	0.000	0.000	0.000
150	A	157	ILE	0	-0.022	0.009	12.795	-2.166	-2.166	0.000	0.000	0.000	0.000
151	A	158	TYR	0	-0.026	-0.043	7.772	1.578	1.578	0.000	0.000	0.000	0.000
152	A	159	GLY	0	0.045	0.003	8.908	-8.375	-8.375	0.000	0.000	0.000	0.000
153	A	160	VAL	0	-0.049	-0.017	6.253	11.271	11.271	0.000	0.000	0.000	0.000
157	A	164	PRO	0	0.041	0.000	6.607	-6.197	-6.197	0.000	0.000	0.000	0.000
159	A	166	VAL	0	0.027	0.023	7.268	-3.843	-3.843	0.000	0.000	0.000	0.000
160	A	167	GLY	0	0.028	0.002	10.731	0.197	0.197	0.000	0.000	0.000	0.000
161	A	168	TYR	0	-0.072	-0.017	8.837	-6.346	-6.346	0.000	0.000	0.000	0.000
162	A	169	SER	0	0.036	0.010	14.712	1.180	1.180	0.000	0.000	0.000	0.000
163	A	170	PRO	0	0.064	0.026	16.365	3.379	3.379	0.000	0.000	0.000	0.000
164	A	171	GLU	-1	-0.832	-0.925	17.649	51.763	51.763	0.000	0.000	0.000	0.000
165	A	172	GLU	-1	-0.879	-0.936	16.486	60.803	60.803	0.000	0.000	0.000	0.000
166	A	173	PHE	0	0.006	-0.008	11.044	2.128	2.128	0.000	0.000	0.000	0.000
167	A	174	GLU	-1	-0.862	-0.927	15.225	51.593	51.593	0.000	0.000	0.000	0.000
168	A	175	LYS	1	0.897	0.947	18.000	-54.548	-54.548	0.000	0.000	0.000	0.000
169	A	176	LEU	0	0.011	0.019	10.436	0.385	0.385	0.000	0.000	0.000	0.000
170	A	177	ALA	0	0.027	0.008	13.854	1.916	1.916	0.000	0.000	0.000	0.000
171	A	178	TYR	0	-0.058	-0.098	14.808	-0.627	-0.627	0.000	0.000	0.000	0.000
172	A	179	ASP	-1	-0.901	-0.943	16.310	57.540	57.540	0.000	0.000	0.000	0.000
173	A	180	LEU	0	-0.031	-0.032	10.309	0.232	0.232	0.000	0.000	0.000	0.000
174	A	181	LEU	0	0.008	0.010	13.755	0.196	0.196	0.000	0.000	0.000	0.000
175	A	182	SER	0	-0.020	-0.022	15.936	-2.609	-2.609	0.000	0.000	0.000	0.000
176	A	183	ASN	0	-0.131	-0.055	16.189	-4.011	-4.011	0.000	0.000	0.000	0.000
177	A	184	GLY	0	0.020	0.005	15.769	1.334	1.334	0.000	0.000	0.000	0.000
178	A	185	ALA	0	0.016	0.027	11.747	1.594	1.594	0.000	0.000	0.000	0.000
179	A	186	ASP	-1	-0.730	-0.848	12.976	68.860	68.860	0.000	0.000	0.000	0.000
180	A	187	TYR	0	-0.008	0.008	7.324	-0.233	-0.233	0.000	0.000	0.000	0.000
181	A	188	MET	0	0.009	0.027	9.603	5.836	5.836	0.000	0.000	0.000	0.000
183	A	190	ASP	-1	-0.693	-0.838	6.880	88.107	88.107	0.000	0.000	0.000	0.000
187	A	193	ASN	0	-0.041	0.003	5.639	-3.222	-3.222	0.000	0.000	0.000	0.000
188	A	194	LEU	0	-0.074	-0.019	8.264	-7.223	-7.223	0.000	0.000	0.000	0.000
189	A	195	THR	0	0.037	0.023	10.257	-0.193	-0.193	0.000	0.000	0.000	0.000
190	A	196	SER	0	0.044	0.027	13.008	-0.464	-0.464	0.000	0.000	0.000	0.000
191	A	197	PRO	0	0.016	0.027	14.704	-4.112	-4.112	0.000	0.000	0.000	0.000
192	A	198	TRP	0	-0.022	-0.029	17.782	-1.002	-1.002	0.000	0.000	0.000	0.000
193	A	199	TYR	0	-0.060	-0.041	13.614	0.388	0.388	0.000	0.000	0.000	0.000
194	A	200	ASN	0	-0.001	-0.022	14.228	-0.087	-0.087	0.000	0.000	0.000	0.000
195	A	201	ARG	1	0.960	0.993	16.102	-48.467	-48.467	0.000	0.000	0.000	0.000
196	A	202	PHE	0	0.078	0.013	13.899	0.442	0.442	0.000	0.000	0.000	0.000
197	A	203	GLU	-1	-0.892	-0.956	17.218	46.650	46.650	0.000	0.000	0.000	0.000
198	A	204	GLU	-1	-0.911	-0.955	19.823	49.976	49.976	0.000	0.000	0.000	0.000
199	A	205	ARG	1	0.770	0.875	12.406	-73.726	-73.726	0.000	0.000	0.000	0.000
200	A	206	ALA	0	0.014	0.001	17.265	0.818	0.818	0.000	0.000	0.000	0.000
201	A	207	GLU	-1	-0.874	-0.931	18.633	44.864	44.864	0.000	0.000	0.000	0.000
202	A	208	ILE	0	-0.074	-0.038	18.035	-0.684	-0.684	0.000	0.000	0.000	0.000
203	A	209	MET	0	-0.036	-0.023	14.661	0.853	0.853	0.000	0.000	0.000	0.000
204	A	210	ALA	0	0.061	0.044	17.925	0.017	0.017	0.000	0.000	0.000	0.000
205	A	211	LYS	1	0.930	0.978	20.996	-47.748	-47.748	0.000	0.000	0.000	0.000
206	A	212	ILE	0	-0.086	-0.054	17.628	-1.247	-1.247	0.000	0.000	0.000	0.000
207	A	213	ILE	0	-0.005	-0.005	16.433	0.434	0.434	0.000	0.000	0.000	0.000
208	A	214	ASP	-1	-0.856	-0.905	20.158	45.176	45.176	0.000	0.000	0.000	0.000
209	A	215	LYS	1	0.749	0.879	23.302	-46.921	-46.921	0.000	0.000	0.000	0.000
210	A	216	VAL	0	0.013	-0.006	19.400	-0.975	-0.975	0.000	0.000	0.000	0.000
211	A	217	GLU	-1	-0.847	-0.921	21.413	51.126	51.126	0.000	0.000	0.000	0.000
212	A	218	ASN	0	-0.068	-0.031	23.579	-1.871	-1.871	0.000	0.000	0.000	0.000
213	A	219	GLU	-1	-0.862	-0.854	24.984	44.170	44.170	0.000	0.000	0.000	0.000
214	A	220	THR	0	-0.059	-0.028	21.682	-0.429	-0.429	0.000	0.000	0.000	0.000
215	A	221	GLY	0	-0.029	-0.009	24.871	-0.491	-0.491	0.000	0.000	0.000	0.000
216	A	222	GLU	-1	-0.990	-0.995	20.142	55.782	55.782	0.000	0.000	0.000	0.000
217	A	223	LYS	1	0.919	0.965	21.041	-46.003	-46.003	0.000	0.000	0.000	0.000
218	A	224	LYS	1	0.835	0.925	16.759	-59.971	-59.971	0.000	0.000	0.000	0.000
219	A	225	THR	0	-0.057	-0.038	13.792	-2.925	-2.925	0.000	0.000	0.000	0.000
220	A	226	TRP	0	0.020	-0.005	11.348	1.279	1.279	0.000	0.000	0.000	0.000
221	A	227	PHE	0	-0.046	-0.025	7.797	-1.839	-1.839	0.000	0.000	0.000	0.000
222	A	228	ALA	0	0.062	0.047	9.738	5.389	5.389	0.000	0.000	0.000	0.000
223	A	229	ASN	0	-0.008	-0.016	8.745	-3.142	-3.142	0.000	0.000	0.000	0.000
224	A	230	ILE	0	0.000	0.001	10.680	-2.670	-2.670	0.000	0.000	0.000	0.000
225	A	231	THR	0	-0.051	-0.033	9.880	-4.750	-4.750	0.000	0.000	0.000	0.000
226	A	232	ALA	0	-0.026	-0.030	12.973	-0.126	-0.126	0.000	0.000	0.000	0.000
227	A	233	ASP	-1	-0.875	-0.939	16.299	53.712	53.712	0.000	0.000	0.000	0.000
228	A	234	LEU	0	-0.016	-0.007	19.690	0.518	0.518	0.000	0.000	0.000	0.000
229	A	235	LEU	0	0.075	0.029	21.250	0.308	0.308	0.000	0.000	0.000	0.000
230	A	236	GLU	-1	-0.886	-0.948	19.479	48.267	48.267	0.000	0.000	0.000	0.000
231	A	237	MET	0	-0.126	-0.047	16.278	2.623	2.623	0.000	0.000	0.000	0.000
232	A	238	GLU	-1	-0.817	-0.912	18.639	45.470	45.470	0.000	0.000	0.000	0.000
233	A	239	GLN	0	0.010	0.007	21.812	0.545	0.545	0.000	0.000	0.000	0.000
234	A	240	ARG	1	0.798	0.875	15.888	-58.264	-58.264	0.000	0.000	0.000	0.000
235	A	241	LEU	0	-0.015	-0.017	17.194	1.301	1.301	0.000	0.000	0.000	0.000
236	A	242	GLU	-1	-0.925	-0.955	19.690	41.355	41.355	0.000	0.000	0.000	0.000
237	A	243	VAL	0	0.009	0.013	20.265	-0.270	-0.270	0.000	0.000	0.000	0.000
238	A	244	LEU	0	-0.103	-0.056	15.672	0.468	0.468	0.000	0.000	0.000	0.000
239	A	245	ALA	0	0.009	0.000	20.099	-0.456	-0.456	0.000	0.000	0.000	0.000
240	A	246	ASP	-1	-0.915	-0.947	23.079	40.943	40.943	0.000	0.000	0.000	0.000
241	A	247	LEU	0	-0.090	-0.046	21.352	-0.868	-0.868	0.000	0.000	0.000	0.000
242	A	248	GLY	0	-0.049	-0.010	23.810	0.089	0.089	0.000	0.000	0.000	0.000
243	A	249	LEU	0	-0.073	-0.026	18.007	1.945	1.945	0.000	0.000	0.000	0.000
244	A	250	LYS	1	0.925	0.930	18.083	-56.819	-56.819	0.000	0.000	0.000	0.000
245	A	251	HIS	0	-0.032	-0.016	13.183	-0.742	-0.742	0.000	0.000	0.000	0.000
246	A	252	ALA	0	0.062	0.044	13.937	-0.646	-0.646	0.000	0.000	0.000	0.000
247	A	253	MET	0	-0.084	-0.040	5.316	3.291	3.291	0.000	0.000	0.000	0.000
248	A	254	VAL	0	0.039	0.024	10.185	-3.267	-3.267	0.000	0.000	0.000	0.000
249	A	255	ASP	-1	-0.778	-0.891	8.161	113.319	113.319	0.000	0.000	0.000	0.000
250	A	256	VAL	0	-0.016	-0.002	8.435	-6.753	-6.753	0.000	0.000	0.000	0.000
251	A	257	VAL	0	-0.067	-0.027	8.191	-5.295	-5.295	0.000	0.000	0.000	0.000
252	A	258	ILE	0	-0.037	-0.007	9.325	-5.633	-5.633	0.000	0.000	0.000	0.000
253	A	259	THR	0	0.001	-0.016	12.303	-5.803	-5.803	0.000	0.000	0.000	0.000
254	A	260	GLY	0	0.007	0.007	13.783	-4.125	-4.125	0.000	0.000	0.000	0.000
255	A	261	TRP	0	-0.029	-0.041	13.804	0.331	0.331	0.000	0.000	0.000	0.000
256	A	262	GLY	0	0.025	0.027	17.625	-1.270	-1.270	0.000	0.000	0.000	0.000
257	A	263	ALA	0	0.054	0.024	19.153	-1.907	-1.907	0.000	0.000	0.000	0.000
258	A	264	LEU	0	-0.050	-0.012	13.374	0.608	0.608	0.000	0.000	0.000	0.000
259	A	265	ARG	1	0.927	0.954	17.713	-44.991	-44.991	0.000	0.000	0.000	0.000
260	A	266	TYR	0	0.025	0.015	20.512	-0.296	-0.296	0.000	0.000	0.000	0.000
261	A	267	ILE	0	0.034	0.018	16.525	-0.060	-0.060	0.000	0.000	0.000	0.000
262	A	268	ARG	1	0.799	0.873	17.856	-50.840	-50.840	0.000	0.000	0.000	0.000
263	A	269	ASP	-1	-0.883	-0.953	19.320	46.903	46.903	0.000	0.000	0.000	0.000
264	A	270	LEU	0	0.043	0.035	21.545	-0.850	-0.850	0.000	0.000	0.000	0.000
265	A	271	ALA	0	-0.015	-0.010	18.408	-0.456	-0.456	0.000	0.000	0.000	0.000
266	A	272	ALA	0	-0.043	-0.027	20.423	-0.601	-0.601	0.000	0.000	0.000	0.000
267	A	273	ASP	-1	-0.925	-0.950	22.670	41.628	41.628	0.000	0.000	0.000	0.000
268	A	274	TYR	0	-0.041	-0.023	21.934	-1.160	-1.160	0.000	0.000	0.000	0.000
269	A	275	GLY	0	-0.083	-0.032	23.266	-0.158	-0.158	0.000	0.000	0.000	0.000
270	A	276	LEU	0	-0.053	-0.025	17.871	1.396	1.396	0.000	0.000	0.000	0.000
271	A	277	ALA	0	-0.038	-0.013	16.432	0.170	0.170	0.000	0.000	0.000	0.000
272	A	278	ILE	0	0.009	-0.006	13.001	2.813	2.813	0.000	0.000	0.000	0.000
273	A	279	HIS	0	-0.071	-0.046	5.754	-6.260	-6.260	0.000	0.000	0.000	0.000
274	A	280	GLY	0	0.034	0.008	9.174	-1.445	-1.445	0.000	0.000	0.000	0.000
277	A	283	ALA	0	0.058	0.020	4.938	-1.096	-1.096	0.000	0.000	0.000	0.000
278	A	284	MET	0	0.018	0.020	5.723	-12.839	-12.839	0.000	0.000	0.000	0.000
280	A	286	ALA	0	-0.054	-0.010	6.536	-7.984	-7.984	0.000	0.000	0.000	0.000
281	A	287	ALA	0	0.009	0.016	8.449	-6.729	-6.729	0.000	0.000	0.000	0.000
282	A	288	PHE	0	0.022	-0.011	11.118	-5.623	-5.623	0.000	0.000	0.000	0.000
283	A	289	THR	0	0.027	0.030	8.468	1.532	1.532	0.000	0.000	0.000	0.000
284	A	290	ARG	1	0.765	0.892	9.167	-94.167	-94.167	0.000	0.000	0.000	0.000
285	A	291	ASN	0	0.021	0.007	10.749	-2.811	-2.811	0.000	0.000	0.000	0.000
286	A	292	PRO	0	0.042	0.022	14.356	-1.190	-1.190	0.000	0.000	0.000	0.000
287	A	293	TYR	0	-0.066	-0.041	16.089	-1.651	-1.651	0.000	0.000	0.000	0.000
288	A	294	HIS	0	-0.108	-0.071	17.410	-3.701	-3.701	0.000	0.000	0.000	0.000
289	A	295	GLY	0	0.032	0.036	15.839	3.413	3.413	0.000	0.000	0.000	0.000
290	A	296	ILE	0	0.019	0.003	13.800	-3.405	-3.405	0.000	0.000	0.000	0.000
291	A	297	SER	0	0.021	0.021	12.857	7.774	7.774	0.000	0.000	0.000	0.000
292	A	298	MET	0	-0.002	-0.002	6.773	3.482	3.482	0.000	0.000	0.000	0.000
293	A	299	PHE	0	0.008	0.015	10.227	0.855	0.855	0.000	0.000	0.000	0.000
294	A	300	VAL	0	0.038	0.024	13.099	-1.680	-1.680	0.000	0.000	0.000	0.000
295	A	301	LEU	0	0.006	0.001	8.836	-0.776	-0.776	0.000	0.000	0.000	0.000
296	A	302	ALA	0	-0.023	-0.007	10.470	-0.499	-0.499	0.000	0.000	0.000	0.000
297	A	303	LYS	1	0.856	0.935	11.564	-56.874	-56.874	0.000	0.000	0.000	0.000
298	A	304	LEU	0	-0.001	-0.007	14.767	-2.499	-2.499	0.000	0.000	0.000	0.000
299	A	305	TYR	0	0.064	0.016	9.549	0.699	0.699	0.000	0.000	0.000	0.000
300	A	306	ARG	1	0.792	0.892	13.671	-60.119	-60.119	0.000	0.000	0.000	0.000
301	A	307	LEU	0	-0.059	-0.037	15.457	-2.861	-2.861	0.000	0.000	0.000	0.000
302	A	308	ILE	0	0.018	0.003	15.892	-2.123	-2.123	0.000	0.000	0.000	0.000
303	A	309	GLY	0	-0.012	0.001	16.743	-2.333	-2.333	0.000	0.000	0.000	0.000
304	A	310	ILE	0	-0.027	-0.003	10.773	0.868	0.868	0.000	0.000	0.000	0.000
305	A	311	ASP	-1	-0.715	-0.855	14.189	62.879	62.879	0.000	0.000	0.000	0.000
306	A	312	GLN	0	-0.025	-0.004	10.238	-6.695	-6.695	0.000	0.000	0.000	0.000
307	A	313	LEU	0	0.029	0.023	7.149	0.370	0.370	0.000	0.000	0.000	0.000
312	A	318	ALA	0	-0.008	-0.003	7.083	-10.873	-10.873	0.000	0.000	0.000	0.000
313	A	319	GLY	0	0.037	0.011	8.698	-9.271	-9.271	0.000	0.000	0.000	0.000
314	A	320	ALA	0	-0.014	-0.002	10.194	-2.654	-2.654	0.000	0.000	0.000	0.000
315	A	321	GLY	0	0.058	0.027	6.936	-0.967	-0.967	0.000	0.000	0.000	0.000
319	A	325	GLY	0	0.055	0.024	5.873	13.477	13.477	0.000	0.000	0.000	0.000
320	A	326	GLY	0	-0.020	0.009	7.977	-2.671	-2.671	0.000	0.000	0.000	0.000
321	A	327	LYS	1	0.980	0.978	10.773	-67.124	-67.124	0.000	0.000	0.000	0.000
322	A	328	TRP	0	-0.041	-0.016	12.677	3.092	3.092	0.000	0.000	0.000	0.000
323	A	329	ASP	-1	-0.821	-0.920	11.226	75.358	75.358	0.000	0.000	0.000	0.000
324	A	330	VAL	0	-0.053	-0.016	7.495	1.107	1.107	0.000	0.000	0.000	0.000
325	A	331	ILE	0	0.021	0.009	10.103	0.620	0.620	0.000	0.000	0.000	0.000
326	A	332	GLN	0	0.010	0.016	13.439	-4.064	-4.064	0.000	0.000	0.000	0.000
327	A	333	ASN	0	-0.030	-0.019	8.273	-7.490	-7.490	0.000	0.000	0.000	0.000
328	A	334	ALA	0	0.026	0.002	11.051	-1.460	-1.460	0.000	0.000	0.000	0.000
329	A	335	ARG	1	0.773	0.865	12.164	-59.364	-59.364	0.000	0.000	0.000	0.000
330	A	336	ILE	0	-0.032	-0.009	13.812	-3.822	-3.822	0.000	0.000	0.000	0.000
331	A	337	LEU	0	-0.002	0.011	10.006	-2.113	-2.113	0.000	0.000	0.000	0.000
332	A	338	ARG	1	0.838	0.907	14.043	-75.227	-75.227	0.000	0.000	0.000	0.000
333	A	339	GLU	-1	-0.828	-0.893	16.926	52.348	52.348	0.000	0.000	0.000	0.000
334	A	340	SER	0	0.012	0.016	20.178	-0.258	-0.258	0.000	0.000	0.000	0.000
335	A	341	HIS	0	-0.102	-0.105	23.305	-1.721	-1.721	0.000	0.000	0.000	0.000
336	A	342	TYR	0	0.005	0.017	18.586	-0.719	-0.719	0.000	0.000	0.000	0.000
337	A	343	LYS	1	0.964	0.971	22.575	-41.910	-41.910	0.000	0.000	0.000	0.000
338	A	344	PRO	0	0.029	0.050	21.929	1.369	1.369	0.000	0.000	0.000	0.000
339	A	345	ASP	-1	-0.874	-0.956	21.826	50.894	50.894	0.000	0.000	0.000	0.000
340	A	346	GLU	-1	-0.938	-0.982	24.386	39.550	39.550	0.000	0.000	0.000	0.000
341	A	347	ASN	0	-0.032	-0.014	24.177	-1.325	-1.325	0.000	0.000	0.000	0.000
342	A	348	ASP	-1	-0.798	-0.882	20.211	55.318	55.318	0.000	0.000	0.000	0.000
343	A	349	VAL	0	0.004	0.002	22.946	-1.071	-1.071	0.000	0.000	0.000	0.000
344	A	350	PHE	0	-0.064	-0.041	19.124	-0.280	-0.280	0.000	0.000	0.000	0.000
345	A	351	HIS	1	0.820	0.899	16.226	-60.471	-60.471	0.000	0.000	0.000	0.000
346	A	352	LEU	0	0.012	0.012	21.103	-2.240	-2.240	0.000	0.000	0.000	0.000
347	A	353	GLU	-1	-0.888	-0.923	22.974	41.499	41.499	0.000	0.000	0.000	0.000
348	A	354	GLN	0	-0.003	-0.012	21.222	0.296	0.296	0.000	0.000	0.000	0.000
349	A	355	LYS	1	0.876	0.955	23.746	-37.656	-37.656	0.000	0.000	0.000	0.000
350	A	356	PHE	0	0.106	0.041	18.806	-0.139	-0.139	0.000	0.000	0.000	0.000
351	A	357	TYR	0	-0.040	-0.028	23.942	-1.388	-1.388	0.000	0.000	0.000	0.000
352	A	358	SER	0	0.017	-0.002	26.187	-0.102	-0.102	0.000	0.000	0.000	0.000
353	A	359	ILE	0	-0.002	0.022	20.143	0.415	0.415	0.000	0.000	0.000	0.000
354	A	360	LYS	1	0.968	0.989	20.631	-47.706	-47.706	0.000	0.000	0.000	0.000
355	A	361	ALA	0	0.005	0.027	17.511	1.744	1.744	0.000	0.000	0.000	0.000
356	A	362	ALA	0	0.052	0.032	13.223	-0.550	-0.550	0.000	0.000	0.000	0.000
357	A	363	PHE	0	0.026	-0.013	11.679	0.533	0.533	0.000	0.000	0.000	0.000
358	A	364	PRO	0	-0.042	-0.007	9.294	6.793	6.793	0.000	0.000	0.000	0.000
366	A	372	PRO	0	0.029	0.009	7.905	-5.469	-5.469	0.000	0.000	0.000	0.000
367	A	373	GLY	0	-0.020	-0.004	11.235	-4.722	-4.722	0.000	0.000	0.000	0.000
368	A	374	ASN	0	-0.010	-0.003	7.734	-3.684	-3.684	0.000	0.000	0.000	0.000
369	A	375	ILE	0	0.090	0.025	8.966	3.435	3.435	0.000	0.000	0.000	0.000
370	A	376	GLN	0	-0.025	-0.037	11.469	0.751	0.751	0.000	0.000	0.000	0.000
371	A	377	PRO	0	0.014	0.008	13.448	-1.258	-1.258	0.000	0.000	0.000	0.000
372	A	378	VAL	0	-0.009	0.011	9.383	-1.646	-1.646	0.000	0.000	0.000	0.000
373	A	379	ILE	0	0.009	-0.003	12.388	-1.793	-1.793	0.000	0.000	0.000	0.000
374	A	380	GLU	-1	-0.933	-0.937	14.544	59.556	59.556	0.000	0.000	0.000	0.000
375	A	381	ALA	0	-0.094	-0.038	13.467	-2.909	-2.909	0.000	0.000	0.000	0.000
376	A	382	LEU	0	-0.009	-0.008	9.396	-1.945	-1.945	0.000	0.000	0.000	0.000
377	A	383	GLY	0	0.022	0.022	13.791	-2.083	-2.083	0.000	0.000	0.000	0.000
378	A	384	THR	0	0.039	-0.006	14.931	3.794	3.794	0.000	0.000	0.000	0.000
379	A	385	ASP	-1	-0.835	-0.882	15.558	64.096	64.096	0.000	0.000	0.000	0.000
380	A	386	ILE	0	-0.058	-0.026	10.146	2.482	2.482	0.000	0.000	0.000	0.000
381	A	387	VAL	0	0.014	0.012	9.008	-4.267	-4.267	0.000	0.000	0.000	0.000
382	A	388	LEU	0	-0.013	-0.017	8.405	9.983	9.983	0.000	0.000	0.000	0.000
388	A	394	THR	0	-0.031	0.000	5.913	-16.763	-16.763	0.000	0.000	0.000	0.000
389	A	395	LEU	0	0.034	-0.001	6.578	-13.635	-13.635	0.000	0.000	0.000	0.000
390	A	396	GLY	0	-0.011	0.007	7.230	-8.674	-8.674	0.000	0.000	0.000	0.000
391	A	397	HIS	0	-0.043	-0.009	8.731	-6.219	-6.219	0.000	0.000	0.000	0.000
392	A	398	PRO	0	-0.034	-0.021	11.664	-2.437	-2.437	0.000	0.000	0.000	0.000
393	A	399	ASP	-1	-0.853	-0.911	15.037	53.629	53.629	0.000	0.000	0.000	0.000
394	A	400	GLY	0	0.022	0.018	14.119	-2.796	-2.796	0.000	0.000	0.000	0.000
395	A	401	PRO	0	0.046	0.010	11.429	0.734	0.734	0.000	0.000	0.000	0.000
396	A	402	ALA	0	0.056	0.035	12.396	1.835	1.835	0.000	0.000	0.000	0.000
397	A	403	ALA	0	-0.020	-0.014	15.369	-0.969	-0.969	0.000	0.000	0.000	0.000
398	A	404	GLY	0	0.033	0.006	11.474	-0.068	-0.068	0.000	0.000	0.000	0.000
399	A	405	ALA	0	0.027	0.024	11.579	3.202	3.202	0.000	0.000	0.000	0.000
400	A	406	ARG	1	0.875	0.914	12.515	-58.099	-58.099	0.000	0.000	0.000	0.000
401	A	407	ALA	0	-0.045	-0.018	13.059	-1.659	-1.659	0.000	0.000	0.000	0.000
402	A	408	VAL	0	-0.012	0.003	8.910	-1.631	-1.631	0.000	0.000	0.000	0.000
403	A	409	ARG	1	0.911	0.941	12.122	-67.096	-67.096	0.000	0.000	0.000	0.000
404	A	410	GLN	0	0.021	0.006	15.083	-2.368	-2.368	0.000	0.000	0.000	0.000
405	A	411	ALA	0	-0.018	-0.018	13.603	-2.468	-2.468	0.000	0.000	0.000	0.000
406	A	412	ILE	0	0.007	0.005	12.120	-1.295	-1.295	0.000	0.000	0.000	0.000
407	A	413	ASP	-1	-0.896	-0.944	16.000	55.136	55.136	0.000	0.000	0.000	0.000
408	A	414	ALA	0	-0.066	-0.037	18.751	-2.365	-2.365	0.000	0.000	0.000	0.000
409	A	415	ILE	0	-0.026	-0.014	15.240	-2.047	-2.047	0.000	0.000	0.000	0.000
410	A	416	MET	0	-0.054	-0.011	18.845	-0.268	-0.268	0.000	0.000	0.000	0.000
411	A	417	GLN	0	-0.039	-0.020	21.141	-1.869	-1.869	0.000	0.000	0.000	0.000
412	A	418	GLY	0	-0.013	0.010	22.739	-2.164	-2.164	0.000	0.000	0.000	0.000
413	A	419	ILE	0	-0.039	-0.014	23.332	-1.232	-1.232	0.000	0.000	0.000	0.000
414	A	420	PRO	0	0.015	0.010	21.734	2.724	2.724	0.000	0.000	0.000	0.000
415	A	421	LEU	0	0.064	0.023	16.354	-1.455	-1.455	0.000	0.000	0.000	0.000
416	A	422	ASP	-1	-0.859	-0.933	19.721	55.427	55.427	0.000	0.000	0.000	0.000
417	A	423	GLU	-1	-1.017	-1.018	21.981	41.909	41.909	0.000	0.000	0.000	0.000
418	A	424	TYR	0	0.062	0.028	20.135	-1.455	-1.455	0.000	0.000	0.000	0.000
419	A	425	ALA	0	0.007	0.007	20.147	-0.508	-0.508	0.000	0.000	0.000	0.000
420	A	426	LYS	1	0.915	0.964	21.644	-43.849	-43.849	0.000	0.000	0.000	0.000
421	A	427	THR	0	-0.027	-0.005	24.714	-1.117	-1.117	0.000	0.000	0.000	0.000
422	A	428	HIS	1	0.808	0.902	20.664	-50.862	-50.862	0.000	0.000	0.000	0.000
423	A	429	LYS	1	0.987	1.008	20.766	-50.019	-50.019	0.000	0.000	0.000	0.000
424	A	430	GLU	-1	-0.820	-0.895	16.557	55.572	55.572	0.000	0.000	0.000	0.000
425	A	431	LEU	0	0.075	0.038	15.373	3.254	3.254	0.000	0.000	0.000	0.000
426	A	432	ALA	0	-0.008	-0.007	16.764	1.942	1.942	0.000	0.000	0.000	0.000
427	A	433	ARG	1	0.781	0.865	17.363	-55.843	-55.843	0.000	0.000	0.000	0.000
428	A	434	ALA	0	0.010	0.013	12.748	1.770	1.770	0.000	0.000	0.000	0.000
429	A	435	LEU	0	-0.031	-0.023	14.269	2.683	2.683	0.000	0.000	0.000	0.000
430	A	436	GLU	-1	-0.941	-0.963	16.165	53.757	53.757	0.000	0.000	0.000	0.000
431	A	437	LYS	1	0.806	0.909	10.649	-86.888	-86.888	0.000	0.000	0.000	0.000
432	A	438	TRP	0	-0.003	-0.005	8.576	1.212	1.212	0.000	0.000	0.000	0.000
433	A	439	GLY	0	0.016	0.020	13.113	0.513	0.513	0.000	0.000	0.000	0.000
434	A	440	HIS	1	0.796	0.869	14.058	-65.708	-65.708	0.000	0.000	0.000	0.000
435	A	441	VAL	0	-0.019	0.015	10.943	0.130	0.130	0.000	0.000	0.000	0.000
436	A	442	THR	0	0.020	0.017	9.877	3.547	3.547	0.000	0.000	0.000	0.000
437	A	443	PRO	0	-0.009	0.012	6.225	-7.498	-7.498	0.000	0.000	0.000	0.000
438	A	444	VAL	0	0.033	0.040	8.894	-0.594	-0.594	0.000	0.000	0.000	0.000
440	C	7	THR	0	-0.007	0.000	11.963	1.032	1.032	0.000	0.000	0.000	0.000
441	C	8	ILE	0	0.035	0.021	10.151	-5.404	-5.404	0.000	0.000	0.000	0.000
442	C	9	TYR	0	-0.041	-0.048	6.637	-3.641	-3.641	0.000	0.000	0.000	0.000
443	C	10	ASP	-1	-0.943	-0.972	12.758	57.981	57.981	0.000	0.000	0.000	0.000
444	C	11	TYR	0	-0.008	0.006	14.587	-3.708	-3.708	0.000	0.000	0.000	0.000
445	C	12	TYR	0	-0.031	-0.016	11.432	0.304	0.304	0.000	0.000	0.000	0.000
446	C	13	VAL	0	-0.044	-0.014	16.377	-1.101	-1.101	0.000	0.000	0.000	0.000
447	C	14	ASP	-1	-0.850	-0.937	19.571	47.598	47.598	0.000	0.000	0.000	0.000
448	C	15	LYS	1	0.807	0.881	22.713	-49.330	-49.330	0.000	0.000	0.000	0.000
449	C	16	GLY	0	-0.025	0.007	25.776	-1.483	-1.483	0.000	0.000	0.000	0.000
450	C	17	TYR	0	-0.095	-0.057	24.584	-1.257	-1.257	0.000	0.000	0.000	0.000
451	C	18	GLU	-1	-0.908	-0.960	26.739	39.730	39.730	0.000	0.000	0.000	0.000
452	C	19	PRO	0	-0.025	0.006	25.722	0.129	0.129	0.000	0.000	0.000	0.000
453	C	20	SER	0	-0.002	-0.012	27.118	-2.328	-2.328	0.000	0.000	0.000	0.000
454	C	21	LYS	1	1.004	0.979	27.654	-36.941	-36.941	0.000	0.000	0.000	0.000
455	C	22	LYS	1	0.804	0.891	29.185	-36.622	-36.622	0.000	0.000	0.000	0.000
456	C	23	ARG	1	0.936	0.955	26.102	-40.286	-40.286	0.000	0.000	0.000	0.000
457	C	24	ASP	-1	-0.737	-0.820	23.321	50.206	50.206	0.000	0.000	0.000	0.000
458	C	25	ILE	0	-0.004	0.007	19.022	-1.906	-1.906	0.000	0.000	0.000	0.000
459	C	26	ILE	0	-0.047	-0.019	21.139	1.089	1.089	0.000	0.000	0.000	0.000
460	C	27	ALA	0	0.007	0.022	17.176	-0.805	-0.805	0.000	0.000	0.000	0.000
461	C	28	VAL	0	-0.007	0.002	19.154	-0.195	-0.195	0.000	0.000	0.000	0.000
462	C	29	PHE	0	0.044	0.008	14.068	0.983	0.983	0.000	0.000	0.000	0.000
463	C	30	ARG	1	0.876	0.944	18.972	-50.756	-50.756	0.000	0.000	0.000	0.000
464	C	31	VAL	0	-0.006	-0.018	16.425	3.318	3.318	0.000	0.000	0.000	0.000
465	C	32	THR	0	0.017	0.008	17.821	-4.568	-4.568	0.000	0.000	0.000	0.000
466	C	33	PRO	0	0.002	0.016	17.272	4.617	4.617	0.000	0.000	0.000	0.000
467	C	34	ALA	0	-0.034	-0.014	15.198	-2.286	-2.286	0.000	0.000	0.000	0.000
468	C	35	GLU	-1	-0.905	-0.972	17.301	51.259	51.259	0.000	0.000	0.000	0.000
469	C	36	GLY	0	-0.015	-0.005	19.508	2.193	2.193	0.000	0.000	0.000	0.000
470	C	37	TYR	0	-0.070	-0.032	14.405	2.636	2.636	0.000	0.000	0.000	0.000
471	C	38	THR	0	0.048	0.003	19.046	-0.780	-0.780	0.000	0.000	0.000	0.000
472	C	39	ILE	0	0.066	0.030	19.189	3.608	3.608	0.000	0.000	0.000	0.000
473	C	40	GLU	-1	-0.802	-0.894	19.253	54.426	54.426	0.000	0.000	0.000	0.000
474	C	41	GLN	0	0.010	0.026	15.953	2.760	2.760	0.000	0.000	0.000	0.000
475	C	42	ALA	0	-0.003	0.000	14.799	5.806	5.806	0.000	0.000	0.000	0.000
476	C	43	ALA	0	0.027	0.005	14.502	4.637	4.637	0.000	0.000	0.000	0.000
477	C	44	GLY	0	0.052	0.029	15.306	2.117	2.117	0.000	0.000	0.000	0.000
478	C	45	ALA	0	-0.024	-0.017	10.854	4.202	4.202	0.000	0.000	0.000	0.000
479	C	46	VAL	0	0.002	-0.001	10.600	7.900	7.900	0.000	0.000	0.000	0.000
480	C	47	ALA	0	0.033	0.028	11.728	2.604	2.604	0.000	0.000	0.000	0.000
481	C	48	ALA	0	-0.024	0.003	9.801	1.191	1.191	0.000	0.000	0.000	0.000
482	C	49	GLU	-1	-0.796	-0.907	5.579	175.036	175.036	0.000	0.000	0.000	0.000
483	C	50	SER	0	-0.029	0.005	7.705	3.161	3.161	0.000	0.000	0.000	0.000
484	C	51	SER	0	-0.005	-0.021	10.257	-7.273	-7.273	0.000	0.000	0.000	0.000
485	C	52	THR	0	0.068	0.055	9.835	5.504	5.504	0.000	0.000	0.000	0.000
486	C	53	GLY	0	0.015	0.015	8.520	0.318	0.318	0.000	0.000	0.000	0.000
489	C	56	THR	0	-0.005	0.001	5.403	-20.754	-20.754	0.000	0.000	0.000	0.000
490	C	57	THR	0	-0.021	-0.014	7.521	0.579	0.579	0.000	0.000	0.000	0.000
491	C	58	LEU	0	0.032	-0.001	5.777	2.867	2.867	0.000	0.000	0.000	0.000
492	C	59	TYR	0	-0.006	0.010	9.771	-7.295	-7.295	0.000	0.000	0.000	0.000
493	C	60	PRO	0	0.016	0.009	12.452	2.669	2.669	0.000	0.000	0.000	0.000
494	C	61	TRP	0	-0.055	-0.039	10.023	-6.756	-6.756	0.000	0.000	0.000	0.000
495	C	62	TYR	0	-0.005	0.003	11.925	0.690	0.690	0.000	0.000	0.000	0.000
496	C	63	GLU	-1	-0.938	-0.985	16.032	49.207	49.207	0.000	0.000	0.000	0.000
497	C	64	GLN	0	-0.016	-0.018	15.988	2.448	2.448	0.000	0.000	0.000	0.000
498	C	65	GLU	-1	-0.934	-0.974	18.197	49.752	49.752	0.000	0.000	0.000	0.000
499	C	66	ARG	1	0.881	0.944	17.393	-58.211	-58.211	0.000	0.000	0.000	0.000
500	C	67	TRP	0	-0.021	-0.015	11.332	-1.007	-1.007	0.000	0.000	0.000	0.000
501	C	68	ALA	0	-0.016	-0.010	16.057	1.819	1.819	0.000	0.000	0.000	0.000
502	C	69	ASP	-1	-0.905	-0.930	18.051	51.424	51.424	0.000	0.000	0.000	0.000
503	C	70	LEU	0	-0.026	-0.013	15.768	-0.292	-0.292	0.000	0.000	0.000	0.000
504	C	71	SER	0	-0.057	-0.031	14.093	3.062	3.062	0.000	0.000	0.000	0.000
505	C	72	ALA	0	-0.051	-0.012	15.378	-3.522	-3.522	0.000	0.000	0.000	0.000
506	C	73	LYS	1	0.934	0.965	17.134	-52.044	-52.044	0.000	0.000	0.000	0.000
507	C	74	ALA	0	-0.007	-0.003	18.132	-1.176	-1.176	0.000	0.000	0.000	0.000
508	C	75	TYR	0	0.018	-0.007	19.971	-1.578	-1.578	0.000	0.000	0.000	0.000
509	C	76	ASP	-1	-0.961	-0.967	23.340	42.482	42.482	0.000	0.000	0.000	0.000
510	C	77	PHE	0	-0.026	-0.022	20.808	2.484	2.484	0.000	0.000	0.000	0.000
511	C	78	HIS	0	0.045	0.019	25.199	-2.935	-2.935	0.000	0.000	0.000	0.000
512	C	79	ASP	-1	-0.884	-0.948	26.248	45.383	45.383	0.000	0.000	0.000	0.000
513	C	80	MET	0	-0.053	-0.023	25.930	-1.649	-1.649	0.000	0.000	0.000	0.000
514	C	81	GLY	0	-0.006	0.008	28.374	-1.387	-1.387	0.000	0.000	0.000	0.000
515	C	82	ASP	-1	-0.796	-0.874	25.919	45.882	45.882	0.000	0.000	0.000	0.000
516	C	83	GLY	0	-0.017	-0.010	24.656	0.798	0.798	0.000	0.000	0.000	0.000
517	C	84	SER	0	-0.089	-0.061	22.106	2.860	2.860	0.000	0.000	0.000	0.000
518	C	85	TRP	0	0.055	0.012	22.117	-2.128	-2.128	0.000	0.000	0.000	0.000
519	C	86	ILE	0	-0.027	-0.005	21.874	2.789	2.789	0.000	0.000	0.000	0.000
520	C	87	VAL	0	-0.006	-0.012	19.286	-0.940	-0.940	0.000	0.000	0.000	0.000
521	C	88	ARG	1	0.928	0.981	20.597	-43.123	-43.123	0.000	0.000	0.000	0.000
522	C	89	ILE	0	0.013	-0.007	15.902	0.048	0.048	0.000	0.000	0.000	0.000
523	C	90	ALA	0	-0.026	-0.003	19.562	-0.674	-0.674	0.000	0.000	0.000	0.000
524	C	91	TYR	0	0.009	-0.032	13.892	0.884	0.884	0.000	0.000	0.000	0.000
525	C	92	PRO	0	0.062	0.053	18.158	-2.663	-2.663	0.000	0.000	0.000	0.000
526	C	93	PHE	0	0.014	-0.022	19.588	1.155	1.155	0.000	0.000	0.000	0.000
527	C	94	HIS	0	-0.085	-0.053	20.411	0.853	0.853	0.000	0.000	0.000	0.000
528	C	95	ALA	0	0.036	0.023	15.613	0.546	0.546	0.000	0.000	0.000	0.000
529	C	96	PHE	0	-0.036	-0.017	13.775	4.137	4.137	0.000	0.000	0.000	0.000
530	C	97	GLU	-1	-0.765	-0.856	16.426	56.932	56.932	0.000	0.000	0.000	0.000
531	C	98	GLU	-1	-0.960	-0.982	18.302	45.370	45.370	0.000	0.000	0.000	0.000
532	C	99	ALA	0	-0.008	-0.008	21.264	0.289	0.289	0.000	0.000	0.000	0.000
533	C	100	ASN	0	0.043	0.028	15.342	1.076	1.076	0.000	0.000	0.000	0.000
534	C	101	LEU	0	-0.012	-0.009	16.913	2.494	2.494	0.000	0.000	0.000	0.000
535	C	102	PRO	0	0.047	0.014	14.849	3.644	3.644	0.000	0.000	0.000	0.000
536	C	103	GLY	0	0.080	0.026	12.305	5.302	5.302	0.000	0.000	0.000	0.000
537	C	104	LEU	0	-0.039	-0.001	12.152	4.230	4.230	0.000	0.000	0.000	0.000
538	C	105	LEU	0	-0.048	-0.040	13.059	2.797	2.797	0.000	0.000	0.000	0.000
539	C	106	ALA	0	0.038	0.026	8.468	4.539	4.539	0.000	0.000	0.000	0.000
540	C	107	SER	0	-0.014	-0.009	8.171	10.259	10.259	0.000	0.000	0.000	0.000
541	C	108	ILE	0	-0.062	-0.035	10.116	3.998	3.998	0.000	0.000	0.000	0.000
542	C	109	ALA	0	-0.036	-0.019	11.162	-2.651	-2.651	0.000	0.000	0.000	0.000
543	C	110	GLY	0	0.113	0.054	7.272	0.530	0.530	0.000	0.000	0.000	0.000
546	C	113	PHE	0	-0.013	0.013	8.386	-3.611	-3.611	0.000	0.000	0.000	0.000
547	C	114	GLY	0	0.023	0.004	5.887	-7.170	-7.170	0.000	0.000	0.000	0.000
548	C	115	MET	0	-0.034	0.020	6.773	6.502	6.502	0.000	0.000	0.000	0.000
549	C	116	LYS	1	0.850	0.912	8.487	-123.194	-123.194	0.000	0.000	0.000	0.000
550	C	117	ARG	1	0.787	0.869	10.519	-94.807	-94.807	0.000	0.000	0.000	0.000
551	C	118	VAL	0	-0.024	0.012	11.529	-6.694	-6.694	0.000	0.000	0.000	0.000
552	C	119	LYS	1	0.934	0.958	12.924	-53.698	-53.698	0.000	0.000	0.000	0.000
553	C	120	GLY	0	-0.017	-0.007	14.871	-0.766	-0.766	0.000	0.000	0.000	0.000
554	C	121	LEU	0	0.006	0.000	12.187	-0.998	-0.998	0.000	0.000	0.000	0.000
555	C	122	ARG	1	0.922	0.975	15.054	-51.122	-51.122	0.000	0.000	0.000	0.000
556	C	123	LEU	0	-0.027	0.009	15.313	-1.704	-1.704	0.000	0.000	0.000	0.000
557	C	124	GLU	-1	-0.869	-0.969	17.587	49.926	49.926	0.000	0.000	0.000	0.000
558	C	125	ASP	-1	-0.824	-0.936	20.758	44.629	44.629	0.000	0.000	0.000	0.000
559	C	126	LEU	0	-0.001	0.002	17.708	2.767	2.767	0.000	0.000	0.000	0.000
560	C	127	TYR	0	-0.083	-0.038	21.045	-2.789	-2.789	0.000	0.000	0.000	0.000
561	C	128	PHE	0	0.049	0.012	19.670	1.542	1.542	0.000	0.000	0.000	0.000
562	C	129	PRO	0	0.060	0.042	23.873	-2.255	-2.255	0.000	0.000	0.000	0.000
563	C	130	GLU	-1	-0.837	-0.914	27.090	35.415	35.415	0.000	0.000	0.000	0.000
564	C	131	LYS	1	0.850	0.941	25.222	-44.880	-44.880	0.000	0.000	0.000	0.000
565	C	132	LEU	0	0.121	0.057	20.777	-0.257	-0.257	0.000	0.000	0.000	0.000
566	C	133	ILE	0	-0.065	-0.014	25.234	-0.371	-0.371	0.000	0.000	0.000	0.000
567	C	134	ARG	1	0.815	0.862	27.803	-35.522	-35.522	0.000	0.000	0.000	0.000
568	C	135	GLU	-1	-0.849	-0.901	23.285	47.206	47.206	0.000	0.000	0.000	0.000
569	C	136	PHE	0	-0.055	-0.022	21.748	1.186	1.186	0.000	0.000	0.000	0.000
570	C	137	ASP	-1	-0.846	-0.928	27.612	36.871	36.871	0.000	0.000	0.000	0.000
571	C	138	GLY	0	-0.053	-0.022	29.336	-1.183	-1.183	0.000	0.000	0.000	0.000
572	C	139	PRO	0	-0.066	-0.027	30.734	-0.394	-0.394	0.000	0.000	0.000	0.000
573	C	140	ALA	0	0.047	0.036	32.984	-0.643	-0.643	0.000	0.000	0.000	0.000
574	C	141	PHE	0	-0.072	-0.028	35.673	-1.286	-1.286	0.000	0.000	0.000	0.000
575	C	142	GLY	0	-0.014	-0.028	35.888	-0.549	-0.549	0.000	0.000	0.000	0.000
576	C	143	ILE	0	-0.024	-0.016	36.851	-0.577	-0.577	0.000	0.000	0.000	0.000
577	C	144	GLU	-1	-0.961	-0.976	39.192	26.399	26.399	0.000	0.000	0.000	0.000
578	C	145	GLY	0	-0.003	-0.001	40.522	-0.685	-0.685	0.000	0.000	0.000	0.000
579	C	146	VAL	0	0.029	0.011	38.084	-0.590	-0.590	0.000	0.000	0.000	0.000
580	C	147	ARG	1	0.796	0.886	41.418	-27.947	-27.947	0.000	0.000	0.000	0.000
581	C	148	LYS	1	0.944	0.973	44.385	-26.484	-26.484	0.000	0.000	0.000	0.000
582	C	149	MET	0	-0.053	-0.007	41.534	-0.469	-0.469	0.000	0.000	0.000	0.000
583	C	150	LEU	0	-0.004	-0.021	42.361	-0.394	-0.394	0.000	0.000	0.000	0.000
584	C	151	GLU	-1	-0.973	-0.980	46.360	22.883	22.883	0.000	0.000	0.000	0.000
585	C	152	ILE	0	-0.061	-0.018	45.597	-0.471	-0.471	0.000	0.000	0.000	0.000
586	C	153	LYS	1	0.899	0.947	46.836	-23.346	-23.346	0.000	0.000	0.000	0.000
587	C	154	ASP	-1	-0.850	-0.923	47.521	24.786	24.786	0.000	0.000	0.000	0.000
588	C	155	ARG	1	0.768	0.851	46.509	-24.971	-24.971	0.000	0.000	0.000	0.000
589	C	156	PRO	0	0.045	0.014	42.605	0.220	0.220	0.000	0.000	0.000	0.000
590	C	157	ILE	0	-0.009	0.013	41.241	-0.634	-0.634	0.000	0.000	0.000	0.000
591	C	158	TYR	0	-0.031	-0.063	41.726	0.274	0.274	0.000	0.000	0.000	0.000
592	C	159	GLY	0	0.052	-0.008	41.217	-0.464	-0.464	0.000	0.000	0.000	0.000
593	C	160	VAL	0	-0.057	-0.026	40.661	0.188	0.188	0.000	0.000	0.000	0.000
594	C	161	VAL	0	0.045	0.031	35.215	-0.080	-0.080	0.000	0.000	0.000	0.000
595	C	162	PRO	0	-0.045	-0.027	38.347	-0.437	-0.437	0.000	0.000	0.000	0.000
596	C	163	LYS	1	0.812	0.886	34.810	-32.070	-32.070	0.000	0.000	0.000	0.000
597	C	164	PRO	0	0.023	-0.006	38.769	-0.812	-0.812	0.000	0.000	0.000	0.000
598	C	165	LYS	1	0.808	0.909	30.906	-36.145	-36.145	0.000	0.000	0.000	0.000
599	C	166	VAL	0	0.023	0.022	33.176	0.017	0.017	0.000	0.000	0.000	0.000
600	C	167	GLY	0	0.026	0.003	36.353	-0.272	-0.272	0.000	0.000	0.000	0.000
601	C	168	TYR	0	-0.075	-0.013	37.913	-0.917	-0.917	0.000	0.000	0.000	0.000
602	C	169	SER	0	0.069	0.025	40.792	0.611	0.611	0.000	0.000	0.000	0.000
603	C	170	PRO	0	0.062	0.017	41.799	-0.123	-0.123	0.000	0.000	0.000	0.000
604	C	171	GLU	-1	-0.854	-0.931	43.970	25.124	25.124	0.000	0.000	0.000	0.000
605	C	172	GLU	-1	-0.814	-0.895	45.010	25.659	25.659	0.000	0.000	0.000	0.000
606	C	173	PHE	0	-0.037	-0.029	41.485	-0.183	-0.183	0.000	0.000	0.000	0.000
607	C	174	GLU	-1	-0.838	-0.896	44.928	23.611	23.611	0.000	0.000	0.000	0.000
608	C	175	LYS	1	0.871	0.932	47.650	-22.750	-22.750	0.000	0.000	0.000	0.000
609	C	176	LEU	0	-0.003	0.004	43.903	-0.274	-0.274	0.000	0.000	0.000	0.000
610	C	177	ALA	0	0.034	0.007	45.012	-0.071	-0.071	0.000	0.000	0.000	0.000
611	C	178	TYR	0	-0.065	-0.051	46.651	-0.191	-0.191	0.000	0.000	0.000	0.000
612	C	179	ASP	-1	-0.865	-0.938	50.264	22.487	22.487	0.000	0.000	0.000	0.000
613	C	180	LEU	0	-0.031	-0.023	44.758	-0.248	-0.248	0.000	0.000	0.000	0.000
614	C	181	LEU	0	0.006	0.001	44.870	-0.090	-0.090	0.000	0.000	0.000	0.000
615	C	182	SER	0	0.004	0.008	48.738	-0.326	-0.326	0.000	0.000	0.000	0.000
616	C	183	ASN	0	-0.112	-0.043	51.393	-0.783	-0.783	0.000	0.000	0.000	0.000
617	C	184	GLY	0	0.020	-0.004	50.384	0.010	0.010	0.000	0.000	0.000	0.000
618	C	185	ALA	0	0.010	0.029	45.117	0.304	0.304	0.000	0.000	0.000	0.000
619	C	186	ASP	-1	-0.731	-0.844	43.961	25.653	25.653	0.000	0.000	0.000	0.000
620	C	187	TYR	0	-0.017	0.021	38.212	0.270	0.270	0.000	0.000	0.000	0.000
621	C	188	MET	0	0.007	0.026	41.361	-0.259	-0.259	0.000	0.000	0.000	0.000
622	C	189	KCX	-1	-0.467	-0.748	32.497	35.961	35.961	0.000	0.000	0.000	0.000
623	C	190	ASP	-1	-0.686	-0.831	34.352	31.363	31.363	0.000	0.000	0.000	0.000
624	C	191	ASP	0	0.249	0.051	33.339	0.634	0.634	0.000	0.000	0.000	0.000
625	C	192	GLU	0	0.287	0.085	27.614	-0.117	-0.117	0.000	0.000	0.000	0.000
626	C	445	merge:C:AS	-1	-1.799	-1.125	27.424	35.681	35.681	0.000	0.000	0.000	0.000
627	C	193	ASN	0	-0.016	0.016	28.533	0.321	0.321	0.000	0.000	0.000	0.000
628	C	194	LEU	0	-0.063	-0.018	29.504	-0.267	-0.267	0.000	0.000	0.000	0.000
629	C	195	THR	0	0.022	0.022	28.416	-0.257	-0.257	0.000	0.000	0.000	0.000
630	C	196	SER	0	0.059	0.042	31.844	-1.497	-1.497	0.000	0.000	0.000	0.000
631	C	197	PRO	0	0.008	0.017	33.539	-0.026	-0.026	0.000	0.000	0.000	0.000
632	C	198	TRP	0	-0.017	-0.026	34.817	-1.122	-1.122	0.000	0.000	0.000	0.000
633	C	199	TYR	0	-0.049	-0.033	34.091	-0.820	-0.820	0.000	0.000	0.000	0.000
634	C	200	ASN	0	0.001	-0.037	37.745	-0.614	-0.614	0.000	0.000	0.000	0.000
635	C	201	ARG	1	0.949	1.004	35.596	-30.134	-30.134	0.000	0.000	0.000	0.000
636	C	202	PHE	0	0.062	0.008	34.536	-0.499	-0.499	0.000	0.000	0.000	0.000
637	C	203	GLU	-1	-0.842	-0.941	37.238	29.747	29.747	0.000	0.000	0.000	0.000
638	C	204	GLU	-1	-0.931	-0.960	40.026	26.871	26.871	0.000	0.000	0.000	0.000
639	C	205	ARG	1	0.761	0.866	34.502	-32.505	-32.505	0.000	0.000	0.000	0.000
640	C	206	ALA	0	0.027	0.006	39.661	-0.345	-0.345	0.000	0.000	0.000	0.000
641	C	207	GLU	-1	-0.896	-0.950	41.651	25.198	25.198	0.000	0.000	0.000	0.000
642	C	208	ILE	0	-0.064	-0.024	44.871	-0.633	-0.633	0.000	0.000	0.000	0.000
643	C	209	MET	0	-0.020	-0.026	41.976	-0.684	-0.684	0.000	0.000	0.000	0.000
644	C	210	ALA	0	0.051	0.046	44.977	-0.280	-0.280	0.000	0.000	0.000	0.000
645	C	211	LYS	1	0.874	0.935	46.390	-23.960	-23.960	0.000	0.000	0.000	0.000
646	C	212	ILE	0	-0.083	-0.051	47.483	-0.598	-0.598	0.000	0.000	0.000	0.000
647	C	213	ILE	0	-0.020	-0.012	43.871	-0.302	-0.302	0.000	0.000	0.000	0.000
648	C	214	ASP	-1	-0.848	-0.919	48.482	23.673	23.673	0.000	0.000	0.000	0.000
649	C	215	LYS	1	0.791	0.914	51.421	-22.070	-22.070	0.000	0.000	0.000	0.000
650	C	216	VAL	0	0.009	-0.012	50.537	-0.369	-0.369	0.000	0.000	0.000	0.000
651	C	217	GLU	-1	-0.823	-0.894	48.649	24.384	24.384	0.000	0.000	0.000	0.000
652	C	218	ASN	0	-0.068	-0.035	52.788	-0.424	-0.424	0.000	0.000	0.000	0.000
653	C	219	GLU	-1	-0.874	-0.906	55.963	20.793	20.793	0.000	0.000	0.000	0.000
654	C	220	THR	0	-0.077	-0.029	53.469	-0.280	-0.280	0.000	0.000	0.000	0.000
655	C	221	GLY	0	-0.080	-0.035	55.960	-0.127	-0.127	0.000	0.000	0.000	0.000
656	C	222	GLU	-1	-0.965	-0.993	51.349	23.355	23.355	0.000	0.000	0.000	0.000
657	C	223	LYS	1	0.930	0.974	47.769	-24.017	-24.017	0.000	0.000	0.000	0.000
658	C	224	LYS	1	0.825	0.911	46.315	-24.351	-24.351	0.000	0.000	0.000	0.000
659	C	225	THR	0	-0.053	-0.061	40.632	0.100	0.100	0.000	0.000	0.000	0.000
660	C	226	TRP	0	0.001	-0.014	38.063	-0.511	-0.511	0.000	0.000	0.000	0.000
661	C	227	PHE	0	-0.043	-0.025	34.963	0.360	0.360	0.000	0.000	0.000	0.000
662	C	228	ALA	0	0.080	0.044	35.697	0.353	0.353	0.000	0.000	0.000	0.000
663	C	229	ASN	0	0.004	0.013	29.060	1.407	1.407	0.000	0.000	0.000	0.000
664	C	230	ILE	0	-0.004	0.003	28.983	-0.286	-0.286	0.000	0.000	0.000	0.000
665	C	231	THR	0	-0.045	-0.041	24.863	1.217	1.217	0.000	0.000	0.000	0.000
666	C	232	ALA	0	-0.012	-0.019	25.965	-0.845	-0.845	0.000	0.000	0.000	0.000
667	C	233	ASP	-1	-0.907	-0.948	22.766	48.509	48.509	0.000	0.000	0.000	0.000
668	C	234	LEU	0	0.032	0.005	23.717	-1.195	-1.195	0.000	0.000	0.000	0.000
669	C	235	LEU	0	0.039	0.022	25.472	-1.145	-1.145	0.000	0.000	0.000	0.000
670	C	236	GLU	-1	-0.882	-0.953	28.099	38.180	38.180	0.000	0.000	0.000	0.000
671	C	237	MET	0	-0.112	-0.046	24.161	-0.980	-0.980	0.000	0.000	0.000	0.000
672	C	238	GLU	-1	-0.804	-0.857	29.025	38.144	38.144	0.000	0.000	0.000	0.000
673	C	239	GLN	0	0.009	0.009	31.400	-1.313	-1.313	0.000	0.000	0.000	0.000
674	C	240	ARG	1	0.811	0.874	30.932	-37.117	-37.117	0.000	0.000	0.000	0.000
675	C	241	LEU	0	-0.008	-0.014	30.723	-0.791	-0.791	0.000	0.000	0.000	0.000
676	C	242	GLU	-1	-0.918	-0.947	34.639	30.206	30.206	0.000	0.000	0.000	0.000
677	C	243	VAL	0	0.002	0.014	37.336	-0.899	-0.899	0.000	0.000	0.000	0.000
678	C	244	LEU	0	-0.089	-0.049	35.392	-0.767	-0.767	0.000	0.000	0.000	0.000
679	C	245	ALA	0	-0.001	-0.003	38.861	-0.714	-0.714	0.000	0.000	0.000	0.000
680	C	246	ASP	-1	-0.924	-0.956	40.570	27.701	27.701	0.000	0.000	0.000	0.000
681	C	247	LEU	0	-0.098	-0.047	42.197	-0.775	-0.775	0.000	0.000	0.000	0.000
682	C	248	GLY	0	-0.040	-0.003	43.696	-0.538	-0.538	0.000	0.000	0.000	0.000
683	C	249	LEU	0	-0.080	-0.033	40.964	-0.221	-0.221	0.000	0.000	0.000	0.000
684	C	250	LYS	1	0.930	0.945	40.936	-26.318	-26.318	0.000	0.000	0.000	0.000
685	C	251	HIS	0	0.000	0.019	36.291	-0.139	-0.139	0.000	0.000	0.000	0.000
686	C	252	ALA	0	0.060	0.044	32.920	-0.242	-0.242	0.000	0.000	0.000	0.000
687	C	253	MET	0	-0.089	-0.029	30.279	0.129	0.129	0.000	0.000	0.000	0.000
688	C	254	VAL	0	0.031	0.014	25.472	0.285	0.285	0.000	0.000	0.000	0.000
689	C	255	ASP	-1	-0.798	-0.908	24.277	41.762	41.762	0.000	0.000	0.000	0.000
690	C	256	VAL	0	-0.016	-0.006	23.293	1.918	1.918	0.000	0.000	0.000	0.000
691	C	257	VAL	0	-0.076	-0.034	18.149	1.951	1.951	0.000	0.000	0.000	0.000
692	C	258	ILE	0	-0.037	-0.006	18.344	3.043	3.043	0.000	0.000	0.000	0.000
693	C	259	THR	0	0.013	-0.011	18.967	1.363	1.363	0.000	0.000	0.000	0.000
694	C	260	GLY	0	-0.009	0.000	17.529	1.669	1.669	0.000	0.000	0.000	0.000
695	C	261	TRP	0	-0.017	-0.039	15.043	-3.911	-3.911	0.000	0.000	0.000	0.000
696	C	262	GLY	0	0.008	0.020	17.321	-1.266	-1.266	0.000	0.000	0.000	0.000
697	C	263	ALA	0	0.070	0.028	18.334	-1.433	-1.433	0.000	0.000	0.000	0.000
698	C	264	LEU	0	-0.051	-0.015	21.425	-2.255	-2.255	0.000	0.000	0.000	0.000
699	C	265	ARG	1	0.903	0.952	22.928	-45.961	-45.961	0.000	0.000	0.000	0.000
700	C	266	TYR	0	-0.028	-0.063	24.506	-1.229	-1.229	0.000	0.000	0.000	0.000
701	C	267	ILE	0	0.032	0.013	25.584	-1.462	-1.462	0.000	0.000	0.000	0.000
702	C	268	ARG	1	0.820	0.891	27.447	-39.397	-39.397	0.000	0.000	0.000	0.000
703	C	269	ASP	-1	-0.863	-0.932	28.854	38.573	38.573	0.000	0.000	0.000	0.000
704	C	270	LEU	0	0.030	0.042	30.534	-1.170	-1.170	0.000	0.000	0.000	0.000
705	C	271	ALA	0	-0.004	-0.009	31.872	-1.180	-1.180	0.000	0.000	0.000	0.000
706	C	272	ALA	0	-0.063	-0.034	33.305	-1.192	-1.192	0.000	0.000	0.000	0.000
707	C	273	ASP	-1	-0.927	-0.955	34.611	32.839	32.839	0.000	0.000	0.000	0.000
708	C	274	TYR	0	-0.042	-0.031	35.055	-0.828	-0.828	0.000	0.000	0.000	0.000
709	C	275	GLY	0	-0.070	-0.020	38.221	-0.800	-0.800	0.000	0.000	0.000	0.000
710	C	276	LEU	0	-0.050	-0.025	35.843	-0.483	-0.483	0.000	0.000	0.000	0.000
711	C	277	ALA	0	-0.050	-0.016	35.810	0.757	0.757	0.000	0.000	0.000	0.000
712	C	278	ILE	0	0.010	-0.009	29.526	0.206	0.206	0.000	0.000	0.000	0.000
713	C	279	HIS	0	-0.070	-0.052	32.042	-0.335	-0.335	0.000	0.000	0.000	0.000
714	C	280	GLY	0	0.037	0.006	28.207	0.681	0.681	0.000	0.000	0.000	0.000
715	C	281	HIS	0	0.072	0.003	27.314	0.923	0.923	0.000	0.000	0.000	0.000
716	C	282	ARG	1	0.761	0.831	23.901	-40.069	-40.069	0.000	0.000	0.000	0.000
717	C	283	ALA	0	0.049	0.021	23.071	1.808	1.808	0.000	0.000	0.000	0.000
718	C	284	MET	0	0.029	0.020	17.349	2.468	2.468	0.000	0.000	0.000	0.000
719	C	285	HIS	1	0.892	0.944	19.138	-44.998	-44.998	0.000	0.000	0.000	0.000
720	C	286	ALA	0	-0.055	-0.019	19.604	1.552	1.552	0.000	0.000	0.000	0.000
721	C	287	ALA	0	0.004	0.016	16.620	0.316	0.316	0.000	0.000	0.000	0.000
722	C	288	PHE	0	0.040	0.002	14.820	2.558	2.558	0.000	0.000	0.000	0.000
723	C	289	THR	0	0.032	0.033	16.877	-0.062	-0.062	0.000	0.000	0.000	0.000
724	C	290	ARG	1	0.763	0.894	20.177	-46.046	-46.046	0.000	0.000	0.000	0.000
725	C	291	ASN	0	0.025	0.011	17.894	-3.451	-3.451	0.000	0.000	0.000	0.000
726	C	292	PRO	0	0.033	0.018	20.226	1.897	1.897	0.000	0.000	0.000	0.000
727	C	293	TYR	0	-0.065	-0.051	19.612	-0.208	-0.208	0.000	0.000	0.000	0.000
728	C	294	HIS	0	-0.098	-0.061	11.564	-0.637	-0.637	0.000	0.000	0.000	0.000
729	C	295	GLY	0	0.029	0.029	14.688	-2.017	-2.017	0.000	0.000	0.000	0.000
730	C	296	ILE	0	0.003	0.001	13.664	0.720	0.720	0.000	0.000	0.000	0.000
731	C	297	SER	0	0.024	0.018	17.475	-2.526	-2.526	0.000	0.000	0.000	0.000
732	C	298	MET	0	0.023	0.015	21.245	1.043	1.043	0.000	0.000	0.000	0.000
733	C	299	PHE	0	-0.003	0.004	23.369	-0.812	-0.812	0.000	0.000	0.000	0.000
734	C	300	VAL	0	0.022	0.017	18.504	-0.970	-0.970	0.000	0.000	0.000	0.000
735	C	301	LEU	0	0.013	0.002	18.530	-0.213	-0.213	0.000	0.000	0.000	0.000
736	C	302	ALA	0	-0.015	0.001	22.052	-0.970	-0.970	0.000	0.000	0.000	0.000
737	C	303	LYS	1	0.835	0.909	23.868	-47.212	-47.212	0.000	0.000	0.000	0.000
738	C	304	LEU	0	0.002	-0.002	18.606	-0.941	-0.941	0.000	0.000	0.000	0.000
739	C	305	TYR	0	0.063	0.016	20.212	-0.697	-0.697	0.000	0.000	0.000	0.000
740	C	306	ARG	1	0.786	0.892	25.077	-38.019	-38.019	0.000	0.000	0.000	0.000
741	C	307	LEU	0	-0.048	-0.037	24.061	-1.336	-1.336	0.000	0.000	0.000	0.000
742	C	308	ILE	0	0.018	0.003	21.478	-0.706	-0.706	0.000	0.000	0.000	0.000
743	C	309	GLY	0	-0.004	0.003	25.972	-0.858	-0.858	0.000	0.000	0.000	0.000
744	C	310	ILE	0	-0.030	-0.005	26.342	-0.777	-0.777	0.000	0.000	0.000	0.000
745	C	311	ASP	-1	-0.715	-0.853	29.653	34.078	34.078	0.000	0.000	0.000	0.000
746	C	312	GLN	0	-0.022	-0.011	32.329	-1.664	-1.664	0.000	0.000	0.000	0.000
747	C	313	LEU	0	0.017	0.029	26.010	1.052	1.052	0.000	0.000	0.000	0.000
748	C	314	HIS	0	0.039	0.044	28.725	-1.281	-1.281	0.000	0.000	0.000	0.000
749	C	315	VAL	0	-0.015	-0.015	28.267	1.603	1.603	0.000	0.000	0.000	0.000
750	C	316	GLY	0	0.048	0.018	29.691	0.808	0.808	0.000	0.000	0.000	0.000
751	C	317	THR	0	0.018	0.007	31.283	-0.927	-0.927	0.000	0.000	0.000	0.000
752	C	318	ALA	0	0.021	0.009	33.401	-0.865	-0.865	0.000	0.000	0.000	0.000
753	C	319	GLY	0	0.015	0.007	34.234	-0.639	-0.639	0.000	0.000	0.000	0.000
754	C	320	ALA	0	-0.024	-0.014	35.543	-0.231	-0.231	0.000	0.000	0.000	0.000
755	C	321	GLY	0	0.062	0.025	35.557	-0.668	-0.668	0.000	0.000	0.000	0.000
756	C	322	LYS	1	0.758	0.870	32.668	-33.763	-33.763	0.000	0.000	0.000	0.000
757	C	323	LEU	0	-0.029	-0.021	28.359	0.497	0.497	0.000	0.000	0.000	0.000
758	C	324	GLU	-1	-1.004	-1.016	26.624	42.179	42.179	0.000	0.000	0.000	0.000
759	C	325	GLY	0	0.078	0.035	28.670	0.607	0.607	0.000	0.000	0.000	0.000
760	C	326	GLY	0	-0.022	0.006	29.588	-1.460	-1.460	0.000	0.000	0.000	0.000
761	C	327	LYS	1	0.986	0.981	31.662	-30.254	-30.254	0.000	0.000	0.000	0.000
762	C	328	TRP	0	-0.029	-0.018	29.363	0.181	0.181	0.000	0.000	0.000	0.000
763	C	329	ASP	-1	-0.840	-0.928	28.201	42.137	42.137	0.000	0.000	0.000	0.000
764	C	330	VAL	0	-0.062	-0.030	30.107	0.376	0.376	0.000	0.000	0.000	0.000
765	C	331	ILE	0	0.000	0.002	31.574	-0.227	-0.227	0.000	0.000	0.000	0.000
766	C	332	GLN	0	0.031	0.020	29.800	-0.220	-0.220	0.000	0.000	0.000	0.000
767	C	333	ASN	0	-0.028	-0.010	27.679	1.112	1.112	0.000	0.000	0.000	0.000
768	C	334	ALA	0	0.023	0.009	29.734	0.009	0.009	0.000	0.000	0.000	0.000
769	C	335	ARG	1	0.758	0.847	33.074	-34.578	-34.578	0.000	0.000	0.000	0.000
770	C	336	ILE	0	-0.029	-0.006	27.491	-0.582	-0.582	0.000	0.000	0.000	0.000
771	C	337	LEU	0	-0.013	0.009	28.908	0.304	0.304	0.000	0.000	0.000	0.000
772	C	338	ARG	1	0.851	0.914	31.571	-32.526	-32.526	0.000	0.000	0.000	0.000
773	C	339	GLU	-1	-0.815	-0.870	34.354	32.637	32.637	0.000	0.000	0.000	0.000
774	C	340	SER	0	0.024	0.020	34.106	0.918	0.918	0.000	0.000	0.000	0.000
775	C	341	HIS	0	-0.092	-0.098	34.727	0.057	0.057	0.000	0.000	0.000	0.000
776	C	342	TYR	0	-0.002	0.014	29.984	-0.557	-0.557	0.000	0.000	0.000	0.000
777	C	343	LYS	1	0.944	0.958	33.012	-31.309	-31.309	0.000	0.000	0.000	0.000
778	C	344	PRO	0	0.024	0.039	31.217	-0.772	-0.772	0.000	0.000	0.000	0.000
779	C	345	ASP	-1	-0.849	-0.929	33.327	32.937	32.937	0.000	0.000	0.000	0.000
780	C	346	GLU	-1	-0.957	-0.985	34.758	33.008	33.008	0.000	0.000	0.000	0.000
781	C	347	ASN	0	-0.067	-0.035	35.087	0.739	0.739	0.000	0.000	0.000	0.000
782	C	348	ASP	-1	-0.777	-0.865	29.781	41.084	41.084	0.000	0.000	0.000	0.000
783	C	349	VAL	0	0.015	0.001	27.649	0.292	0.292	0.000	0.000	0.000	0.000
784	C	350	PHE	0	-0.055	-0.030	24.911	1.575	1.575	0.000	0.000	0.000	0.000
785	C	351	HIS	1	0.810	0.893	25.146	-41.345	-41.345	0.000	0.000	0.000	0.000
786	C	352	LEU	0	0.013	0.009	24.786	-1.153	-1.153	0.000	0.000	0.000	0.000
787	C	353	GLU	-1	-0.885	-0.926	28.358	34.694	34.694	0.000	0.000	0.000	0.000
788	C	354	GLN	0	0.015	0.010	26.504	2.836	2.836	0.000	0.000	0.000	0.000
789	C	355	LYS	1	0.861	0.951	30.337	-34.266	-34.266	0.000	0.000	0.000	0.000
790	C	356	PHE	0	0.095	0.028	28.232	1.040	1.040	0.000	0.000	0.000	0.000
791	C	357	TYR	0	-0.057	-0.038	31.688	-0.643	-0.643	0.000	0.000	0.000	0.000
792	C	358	SER	0	0.015	0.000	34.721	-0.593	-0.593	0.000	0.000	0.000	0.000
793	C	359	ILE	0	0.003	0.031	30.097	-0.401	-0.401	0.000	0.000	0.000	0.000
794	C	360	LYS	1	0.936	0.976	33.312	-31.640	-31.640	0.000	0.000	0.000	0.000
795	C	361	ALA	0	0.006	0.021	33.627	1.066	1.066	0.000	0.000	0.000	0.000
796	C	362	ALA	0	0.054	0.031	31.875	-0.447	-0.447	0.000	0.000	0.000	0.000
797	C	363	PHE	0	0.033	-0.013	33.848	-0.189	-0.189	0.000	0.000	0.000	0.000
798	C	364	PRO	0	-0.029	-0.008	32.941	0.800	0.800	0.000	0.000	0.000	0.000
799	C	365	THR	0	-0.015	0.008	32.617	-1.264	-1.264	0.000	0.000	0.000	0.000
800	C	366	SER	0	-0.029	-0.028	32.932	0.887	0.887	0.000	0.000	0.000	0.000
801	C	367	SER	0	0.014	-0.037	33.270	-1.215	-1.215	0.000	0.000	0.000	0.000
802	C	368	GLY	0	0.079	0.038	33.362	0.895	0.895	0.000	0.000	0.000	0.000
803	C	369	GLY	0	-0.060	-0.036	34.509	-0.085	-0.085	0.000	0.000	0.000	0.000
804	C	370	LEU	0	-0.025	-0.003	37.502	-0.531	-0.531	0.000	0.000	0.000	0.000
805	C	371	HIS	0	-0.021	-0.008	39.862	-0.648	-0.648	0.000	0.000	0.000	0.000
806	C	372	PRO	0	0.021	0.005	43.602	0.067	0.067	0.000	0.000	0.000	0.000
807	C	373	GLY	0	0.023	-0.015	46.528	-0.215	-0.215	0.000	0.000	0.000	0.000
808	C	374	ASN	0	-0.082	-0.038	40.459	-0.324	-0.324	0.000	0.000	0.000	0.000
809	C	375	ILE	0	0.098	0.033	41.801	0.646	0.646	0.000	0.000	0.000	0.000
810	C	376	GLN	0	0.014	0.007	43.303	0.334	0.334	0.000	0.000	0.000	0.000
811	C	377	PRO	0	-0.010	-0.007	41.439	0.156	0.156	0.000	0.000	0.000	0.000
812	C	378	VAL	0	-0.019	-0.001	37.975	0.572	0.572	0.000	0.000	0.000	0.000
813	C	379	ILE	0	0.008	-0.002	40.097	0.429	0.429	0.000	0.000	0.000	0.000
814	C	380	GLU	-1	-0.991	-0.980	42.612	26.423	26.423	0.000	0.000	0.000	0.000
815	C	381	ALA	0	-0.067	-0.035	38.209	0.207	0.207	0.000	0.000	0.000	0.000
816	C	382	LEU	0	0.007	0.002	35.564	0.518	0.518	0.000	0.000	0.000	0.000
817	C	383	GLY	0	0.034	0.034	38.905	0.298	0.298	0.000	0.000	0.000	0.000
818	C	384	THR	0	0.026	-0.010	41.940	0.214	0.214	0.000	0.000	0.000	0.000
819	C	385	ASP	-1	-0.862	-0.912	39.937	28.591	28.591	0.000	0.000	0.000	0.000
820	C	386	ILE	0	-0.066	-0.035	37.451	1.009	1.009	0.000	0.000	0.000	0.000
821	C	387	VAL	0	0.027	0.019	36.636	-0.897	-0.897	0.000	0.000	0.000	0.000
822	C	388	LEU	0	-0.014	-0.019	37.429	0.705	0.705	0.000	0.000	0.000	0.000
823	C	389	GLN	0	0.051	0.013	35.677	-1.057	-1.057	0.000	0.000	0.000	0.000
824	C	390	LEU	0	-0.086	-0.035	38.237	0.185	0.185	0.000	0.000	0.000	0.000
825	C	391	GLY	0	0.161	0.089	38.863	-0.584	-0.584	0.000	0.000	0.000	0.000
826	C	392	GLY	0	-0.010	-0.023	39.327	-0.889	-0.889	0.000	0.000	0.000	0.000
827	C	393	GLY	0	-0.080	-0.038	41.191	-0.737	-0.737	0.000	0.000	0.000	0.000
828	C	394	THR	0	-0.010	0.012	43.183	-0.771	-0.771	0.000	0.000	0.000	0.000
829	C	395	LEU	0	0.005	-0.001	41.770	-0.791	-0.791	0.000	0.000	0.000	0.000
830	C	396	GLY	0	0.005	0.019	45.051	-0.403	-0.403	0.000	0.000	0.000	0.000
831	C	397	HIS	0	-0.041	0.013	46.294	-0.255	-0.255	0.000	0.000	0.000	0.000
832	C	398	PRO	0	-0.034	-0.015	49.342	-0.103	-0.103	0.000	0.000	0.000	0.000
833	C	399	ASP	-1	-0.859	-0.947	52.327	21.187	21.187	0.000	0.000	0.000	0.000
834	C	400	GLY	0	0.010	0.008	51.226	-0.265	-0.265	0.000	0.000	0.000	0.000
835	C	401	PRO	0	0.052	0.012	47.584	-0.048	-0.048	0.000	0.000	0.000	0.000
836	C	402	ALA	0	0.042	0.023	49.217	0.151	0.151	0.000	0.000	0.000	0.000
837	C	403	ALA	0	-0.021	-0.011	51.751	-0.132	-0.132	0.000	0.000	0.000	0.000
838	C	404	GLY	0	0.020	-0.007	48.787	-0.022	-0.022	0.000	0.000	0.000	0.000
839	C	405	ALA	0	0.045	0.031	48.002	0.267	0.267	0.000	0.000	0.000	0.000
840	C	406	ARG	1	0.867	0.911	48.981	-21.775	-21.775	0.000	0.000	0.000	0.000
841	C	407	ALA	0	-0.047	-0.019	50.249	-0.146	-0.146	0.000	0.000	0.000	0.000
842	C	408	VAL	0	-0.002	0.013	44.983	-0.040	-0.040	0.000	0.000	0.000	0.000
843	C	409	ARG	1	0.906	0.942	48.248	-24.013	-24.013	0.000	0.000	0.000	0.000
844	C	410	GLN	0	0.015	0.005	50.105	-0.176	-0.176	0.000	0.000	0.000	0.000
845	C	411	ALA	0	-0.023	-0.013	48.508	-0.162	-0.162	0.000	0.000	0.000	0.000
846	C	412	ILE	0	0.021	0.005	45.389	0.046	0.046	0.000	0.000	0.000	0.000
847	C	413	ASP	-1	-0.909	-0.948	49.032	22.940	22.940	0.000	0.000	0.000	0.000
848	C	414	ALA	0	-0.065	-0.034	52.222	-0.173	-0.173	0.000	0.000	0.000	0.000
849	C	415	ILE	0	-0.014	-0.015	46.671	-0.124	-0.124	0.000	0.000	0.000	0.000
850	C	416	MET	0	-0.054	-0.009	48.602	0.297	0.297	0.000	0.000	0.000	0.000
851	C	417	GLN	0	-0.022	-0.015	51.368	-0.495	-0.495	0.000	0.000	0.000	0.000
852	C	418	GLY	0	-0.014	0.012	53.132	-0.324	-0.324	0.000	0.000	0.000	0.000
853	C	419	ILE	0	-0.062	-0.023	54.129	-0.350	-0.350	0.000	0.000	0.000	0.000
854	C	420	PRO	0	0.000	-0.001	53.507	0.333	0.333	0.000	0.000	0.000	0.000
855	C	421	LEU	0	0.059	0.015	48.955	-0.385	-0.385	0.000	0.000	0.000	0.000
856	C	422	ASP	-1	-0.856	-0.931	53.363	22.740	22.740	0.000	0.000	0.000	0.000
857	C	423	GLU	-1	-0.850	-0.905	55.897	19.769	19.769	0.000	0.000	0.000	0.000
858	C	424	TYR	0	0.044	0.011	55.468	-0.488	-0.488	0.000	0.000	0.000	0.000
859	C	425	ALA	0	0.001	-0.001	55.408	-0.237	-0.237	0.000	0.000	0.000	0.000
860	C	426	LYS	1	0.819	0.901	57.282	-20.260	-20.260	0.000	0.000	0.000	0.000
861	C	427	THR	0	-0.060	-0.023	60.575	-0.228	-0.228	0.000	0.000	0.000	0.000
862	C	428	HIS	1	0.848	0.926	57.016	-20.963	-20.963	0.000	0.000	0.000	0.000
863	C	429	LYS	1	0.990	1.014	57.484	-20.422	-20.422	0.000	0.000	0.000	0.000
864	C	430	GLU	-1	-0.810	-0.893	53.811	21.467	21.467	0.000	0.000	0.000	0.000
865	C	431	LEU	0	0.079	0.037	51.525	0.348	0.348	0.000	0.000	0.000	0.000
866	C	432	ALA	0	-0.011	-0.003	53.211	0.300	0.300	0.000	0.000	0.000	0.000
867	C	433	ARG	1	0.784	0.878	54.773	-21.460	-21.460	0.000	0.000	0.000	0.000
868	C	434	ALA	0	-0.001	0.010	49.474	0.259	0.259	0.000	0.000	0.000	0.000
869	C	435	LEU	0	-0.041	-0.031	50.096	0.358	0.358	0.000	0.000	0.000	0.000
870	C	436	GLU	-1	-0.945	-0.961	51.610	21.726	21.726	0.000	0.000	0.000	0.000
871	C	437	LYS	1	0.843	0.939	47.132	-24.995	-24.995	0.000	0.000	0.000	0.000
872	C	438	TRP	0	0.013	-0.004	44.984	0.179	0.179	0.000	0.000	0.000	0.000
873	C	439	GLY	0	0.022	0.021	47.095	0.362	0.362	0.000	0.000	0.000	0.000
874	C	440	HIS	1	0.823	0.881	46.749	-24.409	-24.409	0.000	0.000	0.000	0.000
875	C	441	VAL	0	0.006	0.018	42.671	0.402	0.402	0.000	0.000	0.000	0.000
876	C	442	THR	0	-0.008	0.010	38.017	-0.103	-0.103	0.000	0.000	0.000	0.000
877	C	443	PRO	0	0.000	0.021	38.127	0.151	0.151	0.000	0.000	0.000	0.000
878	C	444	VAL	0	0.026	0.044	34.438	0.531	0.531	0.000	0.000	0.000	0.000
879	C	446	CAP	-4	-3.201	-3.630	28.204	141.502	141.502	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #439(A:446:CAP)