FMO DATABASE

FMODB ID: K3GV3

Calculation Name: 1UZH-ABCI-Xray434

Preferred Name:

Target Type:

Ligand 3-letter code: CAP | KCX | HYP | SMC | EDO | MG

Ligand of Interest (LOI): CAP

Structure Source: PDB

PDB ID: 1UZH

Chain ID: ABCI

ChEMBL ID:

UniProt ID: P00877

Base Structure: X-ray

Registration Date: 2023-09-26

Reference: M. Fujii, S. Tanaka, Interspecies Comparison of Interaction Energies between Photosynthetic Protein RuBisCO and 2CABP Ligand, Int. J. Mol. Sci. 2022, 23(19), 11347.

DOI: 10.3390/ijms231911347

Apendix: None

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
Remarks	LIGID: D8B, smiles: [H]c1c(C#CC([H])([H])C([H])([H])C(F)(F)F)nc(C([H])([H])[H])c([H])c1[H], Docking soft: Glide

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	1177
LigandResidueName	CAP
LigandFragmentNumber	1176
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-41876652.818895
FMO2-HF: Nuclear repulsion	41402096.419067
FMO2-HF: Total energy	-474556.399828
FMO2-MP2: Total energy	-475911.154999

3D Structure Molmil

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.
-754.277	-787.934	222.723	-103.133	-85.934	-0.713

Interactive mode: IFIE and PIEDA for fragment #1176(A:477:CAP)

Summations of interaction energy for fragment #1176(A:477: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.
-754.277	-787.934	222.723	-103.133	-85.934	0.713

Interaction energy analysis for fragmet #1176(A:477:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.107 / q_NPA : -3.480

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].
162	A	172	CYS	0	-0.062	-0.029	5.186	4.081	4.231	-0.001	-0.004	-0.145	0.000
163	A	173	THR	0	0.104	0.047	2.048	-16.549	-14.317	5.993	-3.904	-4.321	-0.018
164	A	174	ILE	0	0.009	0.000	4.055	8.203	8.452	-0.001	-0.067	-0.181	0.000
165	A	175	LYS	1	0.832	0.913	2.003	-233.220	-232.339	10.218	-4.780	-6.319	0.067
167	A	177	LYS	1	0.749	0.889	4.357	-162.725	-162.408	-0.001	-0.090	-0.227	0.000
191	A	201	KCX	-1	-0.495	-0.785	1.587	176.699	167.130	29.413	-11.940	-7.904	-0.102
193	A	203	ASP	0	0.206	0.061	4.444	5.968	6.112	-0.001	-0.030	-0.113	0.000
194	A	204	GLU	0	0.186	-0.021	4.052	-17.030	-16.669	-0.001	-0.089	-0.271	0.000
285	A	294	HIS	0	0.097	0.026	2.031	-4.342	-4.197	6.253	-2.374	-4.024	0.011
286	A	295	ARG	1	0.751	0.833	1.668	-284.811	-293.091	35.326	-16.562	-10.484	0.202
287	A	296	ALA	0	0.034	0.010	5.060	-0.837	-0.770	-0.001	-0.009	-0.057	0.000
289	A	298	HIS	1	0.844	0.899	3.408	-175.658	-173.745	0.058	-0.978	-0.993	0.009
318	A	327	HIS	0	0.197	0.194	1.749	-57.347	-57.862	16.178	-8.310	-7.353	0.092
319	A	328	SER	0	0.013	-0.009	4.749	-7.431	-7.292	-0.001	-0.019	-0.119	0.000
320	A	329	GLY	0	0.027	0.018	3.476	-12.213	-11.008	0.039	-0.622	-0.622	0.004
321	A	330	THR	0	0.027	0.008	4.444	-20.221	-20.013	0.000	-0.036	-0.172	0.000
325	A	334	LYS	1	0.758	0.867	1.947	-272.856	-271.461	9.071	-5.478	-4.988	0.076
326	A	335	LEU	0	-0.012	-0.002	2.779	-20.759	-17.052	1.388	-2.121	-2.974	0.021
327	A	336	GLU	-1	-0.793	-0.886	5.495	83.448	83.506	-0.001	-0.001	-0.055	0.000
369	A	378	ALA	0	0.028	0.036	4.773	20.534	20.741	-0.001	-0.007	-0.199	0.000
370	A	379	SER	0	-0.002	-0.041	1.828	-30.695	-29.717	11.692	-6.429	-6.241	0.030
371	A	380	GLY	0	0.070	0.031	2.056	9.278	10.611	9.939	-5.988	-5.283	0.026
372	A	381	GLY	0	-0.028	-0.037	1.724	-47.313	-56.908	15.604	-1.699	-4.310	0.065
373	A	382	ILE	0	-0.065	-0.010	3.737	-31.440	-30.503	0.035	-0.446	-0.527	0.005
392	A	401	GLN	0	0.031	0.001	3.814	-24.228	-23.972	-0.001	-0.036	-0.220	0.000
393	A	402	PHE	0	0.029	0.008	3.688	17.604	18.359	0.016	-0.270	-0.501	0.001
394	A	403	GLY	0	0.076	0.046	1.923	-39.166	-39.227	8.542	-4.819	-3.661	0.063
395	A	404	GLY	0	0.046	0.011	1.953	-52.685	-55.110	6.745	-1.101	-3.219	0.047
396	A	405	GLY	0	-0.028	-0.014	3.818	-28.888	-28.237	0.024	-0.325	-0.351	0.003
522	B	65	THR	0	-0.053	-0.094	1.405	-11.224	-38.312	51.870	-20.777	-4.005	0.087
523	B	66	TRP	0	0.027	0.020	2.441	-50.149	-47.010	2.605	-2.471	-3.274	0.032
580	B	123	ASN	0	0.093	0.023	2.580	6.770	9.116	1.725	-1.346	-2.725	-0.008
581	B	124	VAL	0	0.017	0.009	4.947	3.803	3.906	-0.001	-0.005	-0.096	0.000
1	A	11	ALA	0	-0.017	-0.019	51.360	-0.110	-0.110	0.000	0.000	0.000	0.000
2	A	12	GLY	0	0.019	0.012	52.328	0.126	0.126	0.000	0.000	0.000	0.000
3	A	13	PHE	0	-0.019	0.001	47.438	0.333	0.333	0.000	0.000	0.000	0.000
4	A	14	LYS	1	0.941	0.967	49.655	-23.453	-23.453	0.000	0.000	0.000	0.000
5	A	15	ALA	0	0.022	0.019	48.515	0.435	0.435	0.000	0.000	0.000	0.000
6	A	16	GLY	0	0.044	0.014	47.253	-0.400	-0.400	0.000	0.000	0.000	0.000
7	A	17	VAL	0	0.001	0.000	42.180	0.280	0.280	0.000	0.000	0.000	0.000
8	A	18	LYS	1	0.881	0.950	43.282	-26.979	-26.979	0.000	0.000	0.000	0.000
9	A	19	ASP	-1	-0.872	-0.926	41.100	28.254	28.254	0.000	0.000	0.000	0.000
10	A	20	TYR	0	-0.036	-0.053	35.491	-0.333	-0.333	0.000	0.000	0.000	0.000
11	A	21	ARG	1	0.943	0.951	38.419	-28.946	-28.946	0.000	0.000	0.000	0.000
12	A	22	LEU	0	-0.051	-0.022	39.308	-0.289	-0.289	0.000	0.000	0.000	0.000
13	A	23	THR	0	-0.053	-0.018	39.755	-0.694	-0.694	0.000	0.000	0.000	0.000
14	A	24	TYR	0	0.007	0.003	35.222	-0.329	-0.329	0.000	0.000	0.000	0.000
15	A	25	TYR	0	0.013	0.024	35.578	0.542	0.542	0.000	0.000	0.000	0.000
16	A	26	THR	0	-0.076	-0.052	36.804	-0.843	-0.843	0.000	0.000	0.000	0.000
17	A	27	PRO	0	0.038	0.019	37.231	0.521	0.521	0.000	0.000	0.000	0.000
18	A	28	ASP	-1	-0.893	-0.930	38.308	27.885	27.885	0.000	0.000	0.000	0.000
19	A	29	TYR	0	-0.169	-0.099	34.186	-0.798	-0.798	0.000	0.000	0.000	0.000
20	A	30	VAL	0	0.013	0.012	37.128	0.499	0.499	0.000	0.000	0.000	0.000
21	A	31	VAL	0	-0.025	-0.013	31.715	-0.149	-0.149	0.000	0.000	0.000	0.000
22	A	32	ARG	1	0.947	0.972	34.186	-30.916	-30.916	0.000	0.000	0.000	0.000
23	A	33	ASP	-1	-0.873	-0.944	32.295	35.065	35.065	0.000	0.000	0.000	0.000
24	A	34	THR	0	-0.050	-0.040	31.123	0.633	0.633	0.000	0.000	0.000	0.000
25	A	35	ASP	-1	-0.822	-0.887	30.577	34.736	34.736	0.000	0.000	0.000	0.000
26	A	36	ILE	0	0.006	0.005	24.347	0.852	0.852	0.000	0.000	0.000	0.000
27	A	37	LEU	0	-0.040	-0.009	25.746	-1.144	-1.144	0.000	0.000	0.000	0.000
28	A	38	ALA	0	0.030	0.026	23.327	2.017	2.017	0.000	0.000	0.000	0.000
29	A	39	ALA	0	0.015	0.021	22.485	-1.828	-1.828	0.000	0.000	0.000	0.000
30	A	40	PHE	0	0.004	-0.009	21.984	2.709	2.709	0.000	0.000	0.000	0.000
31	A	41	ARG	1	0.836	0.921	19.248	-54.551	-54.551	0.000	0.000	0.000	0.000
32	A	42	MET	0	0.006	-0.001	23.374	0.936	0.936	0.000	0.000	0.000	0.000
33	A	43	THR	0	-0.013	-0.002	25.171	-0.617	-0.617	0.000	0.000	0.000	0.000
34	A	44	PRO	0	0.043	0.017	27.616	0.294	0.294	0.000	0.000	0.000	0.000
35	A	45	GLN	0	-0.016	-0.005	31.107	-0.050	-0.050	0.000	0.000	0.000	0.000
36	A	46	PRO	0	0.033	0.000	33.085	-0.503	-0.503	0.000	0.000	0.000	0.000
37	A	47	GLY	0	-0.019	-0.001	36.130	-0.368	-0.368	0.000	0.000	0.000	0.000
38	A	48	VAL	0	-0.034	-0.005	34.641	-0.732	-0.732	0.000	0.000	0.000	0.000
39	A	49	PRO	0	-0.018	-0.006	35.705	0.626	0.626	0.000	0.000	0.000	0.000
40	A	50	PRO	0	0.095	0.040	33.280	0.461	0.461	0.000	0.000	0.000	0.000
41	A	51	GLU	-1	-0.890	-0.956	33.707	31.677	31.677	0.000	0.000	0.000	0.000
42	A	52	GLU	-1	-0.757	-0.881	35.749	30.448	30.448	0.000	0.000	0.000	0.000
43	A	53	CYS	0	-0.024	-0.008	30.348	0.542	0.542	0.000	0.000	0.000	0.000
44	A	54	GLY	0	0.056	0.014	30.674	0.930	0.930	0.000	0.000	0.000	0.000
45	A	55	ALA	0	-0.046	-0.013	31.633	0.426	0.426	0.000	0.000	0.000	0.000
46	A	56	ALA	0	0.013	0.008	32.540	-0.016	-0.016	0.000	0.000	0.000	0.000
47	A	57	VAL	0	0.010	0.014	26.803	0.353	0.353	0.000	0.000	0.000	0.000
48	A	58	ALA	0	0.018	0.028	29.451	0.544	0.544	0.000	0.000	0.000	0.000
49	A	59	ALA	0	-0.011	0.010	31.043	-0.053	-0.053	0.000	0.000	0.000	0.000
50	A	60	GLU	-1	-0.750	-0.865	30.887	33.824	33.824	0.000	0.000	0.000	0.000
51	A	61	SER	0	-0.040	-0.013	26.941	0.840	0.840	0.000	0.000	0.000	0.000
52	A	62	SER	0	-0.039	-0.053	28.754	-0.028	-0.028	0.000	0.000	0.000	0.000
53	A	63	THR	0	0.000	-0.009	31.518	-0.132	-0.132	0.000	0.000	0.000	0.000
54	A	64	GLY	0	0.005	0.019	34.539	-0.919	-0.919	0.000	0.000	0.000	0.000
55	A	65	THR	0	-0.037	-0.073	34.793	0.945	0.945	0.000	0.000	0.000	0.000
56	A	66	TRP	0	0.013	0.016	36.899	-0.606	-0.606	0.000	0.000	0.000	0.000
57	A	67	THR	0	-0.004	0.004	38.554	-0.771	-0.771	0.000	0.000	0.000	0.000
58	A	68	THR	0	-0.046	-0.015	41.640	0.471	0.471	0.000	0.000	0.000	0.000
59	A	69	VAL	0	0.028	0.011	41.374	-0.403	-0.403	0.000	0.000	0.000	0.000
60	A	70	TRP	0	-0.029	-0.028	44.292	-0.137	-0.137	0.000	0.000	0.000	0.000
61	A	71	THR	0	-0.049	-0.075	42.616	-0.385	-0.385	0.000	0.000	0.000	0.000
62	A	72	ASP	-1	-0.838	-0.922	41.784	28.117	28.117	0.000	0.000	0.000	0.000
63	A	73	GLY	0	-0.052	-0.022	43.884	-0.017	-0.017	0.000	0.000	0.000	0.000
64	A	74	LEU	0	-0.097	-0.043	45.772	-0.407	-0.407	0.000	0.000	0.000	0.000
65	A	75	THR	0	-0.060	-0.040	41.168	-0.007	-0.007	0.000	0.000	0.000	0.000
66	A	76	SER	0	-0.001	0.001	42.698	-0.241	-0.241	0.000	0.000	0.000	0.000
67	A	77	LEU	0	0.088	0.023	39.384	0.606	0.606	0.000	0.000	0.000	0.000
68	A	78	ASP	-1	-0.937	-0.954	39.361	27.756	27.756	0.000	0.000	0.000	0.000
69	A	79	ARG	1	0.868	0.947	38.995	-28.271	-28.271	0.000	0.000	0.000	0.000
70	A	80	TYR	0	-0.017	-0.020	36.092	0.562	0.562	0.000	0.000	0.000	0.000
71	A	81	LYS	1	0.832	0.911	34.785	-28.331	-28.331	0.000	0.000	0.000	0.000
72	A	82	GLY	0	0.071	0.033	31.976	0.231	0.231	0.000	0.000	0.000	0.000
73	A	83	ARG	1	0.830	0.914	32.427	-31.450	-31.450	0.000	0.000	0.000	0.000
74	A	84	CYS	0	-0.001	0.012	31.347	0.815	0.815	0.000	0.000	0.000	0.000
75	A	85	TYR	0	-0.006	-0.022	29.470	-0.643	-0.643	0.000	0.000	0.000	0.000
76	A	86	ASP	-1	-0.859	-0.935	31.825	34.249	34.249	0.000	0.000	0.000	0.000
77	A	87	ILE	0	-0.067	-0.027	31.155	1.122	1.122	0.000	0.000	0.000	0.000
78	A	88	GLU	-1	-0.820	-0.907	27.906	39.372	39.372	0.000	0.000	0.000	0.000
79	A	89	PRO	0	-0.011	-0.003	29.599	1.111	1.111	0.000	0.000	0.000	0.000
80	A	90	VAL	0	0.000	0.002	24.591	0.595	0.595	0.000	0.000	0.000	0.000
81	A	91	PRO	0	-0.020	-0.021	26.524	-0.729	-0.729	0.000	0.000	0.000	0.000
82	A	92	GLY	0	-0.020	-0.012	26.864	1.408	1.408	0.000	0.000	0.000	0.000
83	A	93	GLU	-1	-0.911	-0.952	24.645	45.636	45.636	0.000	0.000	0.000	0.000
84	A	94	ASP	-1	-0.915	-0.948	28.688	34.737	34.737	0.000	0.000	0.000	0.000
85	A	95	ASN	0	-0.098	-0.064	29.946	-1.530	-1.530	0.000	0.000	0.000	0.000
86	A	96	GLN	0	0.066	0.026	23.065	1.517	1.517	0.000	0.000	0.000	0.000
87	A	97	TYR	0	0.003	-0.002	27.518	-1.088	-1.088	0.000	0.000	0.000	0.000
88	A	98	ILE	0	-0.010	0.007	23.458	1.733	1.733	0.000	0.000	0.000	0.000
89	A	99	ALA	0	0.001	0.000	26.810	-1.683	-1.683	0.000	0.000	0.000	0.000
90	A	100	TYR	0	-0.026	-0.014	26.133	2.394	2.394	0.000	0.000	0.000	0.000
91	A	101	VAL	0	-0.003	-0.005	27.541	-1.626	-1.626	0.000	0.000	0.000	0.000
92	A	102	ALA	0	-0.010	0.003	28.062	1.237	1.237	0.000	0.000	0.000	0.000
93	A	103	TYR	0	-0.015	-0.041	26.087	-0.646	-0.646	0.000	0.000	0.000	0.000
94	A	104	HYP	0	0.006	0.008	30.234	0.206	0.206	0.000	0.000	0.000	0.000
95	A	105	ILE	0	0.050	0.013	29.690	0.425	0.425	0.000	0.000	0.000	0.000
96	A	106	ASP	-1	-0.905	-0.958	30.957	32.241	32.241	0.000	0.000	0.000	0.000
97	A	107	LEU	0	-0.091	-0.048	30.165	-0.360	-0.360	0.000	0.000	0.000	0.000
98	A	108	PHE	0	-0.026	-0.002	25.521	0.616	0.616	0.000	0.000	0.000	0.000
99	A	109	GLU	-1	-0.788	-0.876	27.198	38.076	38.076	0.000	0.000	0.000	0.000
100	A	110	GLU	-1	-0.785	-0.885	26.576	37.344	37.344	0.000	0.000	0.000	0.000
101	A	111	GLY	0	0.032	0.023	24.448	-0.137	-0.137	0.000	0.000	0.000	0.000
102	A	112	SER	0	-0.014	-0.002	22.857	2.337	2.337	0.000	0.000	0.000	0.000
103	A	113	VAL	0	0.043	0.018	16.653	-0.913	-0.913	0.000	0.000	0.000	0.000
104	A	114	THR	0	-0.006	0.000	20.061	0.767	0.767	0.000	0.000	0.000	0.000
105	A	115	ASN	0	0.003	0.007	20.901	-0.863	-0.863	0.000	0.000	0.000	0.000
106	A	116	MET	0	-0.007	0.015	19.278	-1.236	-1.236	0.000	0.000	0.000	0.000
107	A	117	PHE	0	0.000	-0.026	15.005	-0.200	-0.200	0.000	0.000	0.000	0.000
108	A	118	THR	0	-0.015	0.014	20.628	0.312	0.312	0.000	0.000	0.000	0.000
109	A	119	SER	0	0.029	0.018	23.470	-1.478	-1.478	0.000	0.000	0.000	0.000
110	A	120	ILE	0	-0.049	-0.011	22.201	-0.568	-0.568	0.000	0.000	0.000	0.000
111	A	121	VAL	0	-0.011	-0.023	18.436	-0.060	-0.060	0.000	0.000	0.000	0.000
112	A	122	GLY	0	0.013	0.029	21.800	0.847	0.847	0.000	0.000	0.000	0.000
113	A	123	ASN	0	0.101	0.026	23.850	1.523	1.523	0.000	0.000	0.000	0.000
114	A	124	VAL	0	0.023	0.010	24.591	-0.161	-0.161	0.000	0.000	0.000	0.000
115	A	125	PHE	0	0.031	0.017	19.761	-0.773	-0.773	0.000	0.000	0.000	0.000
116	A	126	GLY	0	0.034	0.014	24.079	0.547	0.547	0.000	0.000	0.000	0.000
117	A	127	PHE	0	-0.015	0.004	26.448	-1.354	-1.354	0.000	0.000	0.000	0.000
118	A	128	LYS	1	0.821	0.911	29.453	-32.425	-32.425	0.000	0.000	0.000	0.000
119	A	129	ALA	0	-0.010	0.011	31.821	0.068	0.068	0.000	0.000	0.000	0.000
120	A	130	LEU	0	-0.031	-0.020	26.143	-0.330	-0.330	0.000	0.000	0.000	0.000
121	A	131	ARG	1	0.817	0.893	27.856	-38.302	-38.302	0.000	0.000	0.000	0.000
122	A	132	ALA	0	0.005	-0.001	22.731	1.344	1.344	0.000	0.000	0.000	0.000
123	A	133	LEU	0	-0.021	-0.004	22.550	-1.838	-1.838	0.000	0.000	0.000	0.000
124	A	134	ARG	1	0.836	0.918	13.346	-66.674	-66.674	0.000	0.000	0.000	0.000
125	A	135	LEU	0	-0.022	0.005	18.177	-1.979	-1.979	0.000	0.000	0.000	0.000
126	A	136	GLU	-1	-0.799	-0.899	17.298	63.655	63.655	0.000	0.000	0.000	0.000
127	A	137	ASP	-1	-0.797	-0.913	17.519	58.351	58.351	0.000	0.000	0.000	0.000
128	A	138	LEU	0	0.008	-0.012	18.727	-2.082	-2.082	0.000	0.000	0.000	0.000
129	A	139	ARG	1	0.869	0.962	20.983	-38.666	-38.666	0.000	0.000	0.000	0.000
130	A	140	ILE	0	0.022	-0.014	20.322	-1.807	-1.807	0.000	0.000	0.000	0.000
131	A	141	PRO	0	-0.004	0.022	23.583	0.172	0.172	0.000	0.000	0.000	0.000
132	A	142	PRO	0	0.135	0.052	26.586	0.428	0.428	0.000	0.000	0.000	0.000
133	A	143	ALA	0	-0.014	-0.016	27.871	0.049	0.049	0.000	0.000	0.000	0.000
134	A	144	TYR	0	0.003	-0.013	23.429	0.023	0.023	0.000	0.000	0.000	0.000
135	A	145	VAL	0	0.040	0.032	22.814	0.501	0.501	0.000	0.000	0.000	0.000
136	A	146	LYS	1	0.922	0.953	24.805	-38.940	-38.940	0.000	0.000	0.000	0.000
137	A	147	THR	0	-0.100	-0.051	26.447	-0.515	-0.515	0.000	0.000	0.000	0.000
138	A	148	PHE	0	-0.014	-0.006	21.432	0.243	0.243	0.000	0.000	0.000	0.000
139	A	149	VAL	0	-0.003	0.002	22.715	-0.725	-0.725	0.000	0.000	0.000	0.000
140	A	150	GLY	0	0.007	0.012	19.833	-0.301	-0.301	0.000	0.000	0.000	0.000
141	A	151	HYP	0	-0.041	-0.037	16.493	1.515	1.515	0.000	0.000	0.000	0.000
142	A	152	PRO	0	-0.021	0.011	17.319	-2.965	-2.965	0.000	0.000	0.000	0.000
143	A	153	HIS	0	-0.051	-0.024	19.009	-5.332	-5.332	0.000	0.000	0.000	0.000
144	A	154	GLY	0	0.034	0.013	17.722	-1.980	-1.980	0.000	0.000	0.000	0.000
145	A	155	ILE	0	-0.036	-0.016	15.292	-1.066	-1.066	0.000	0.000	0.000	0.000
146	A	156	GLN	0	-0.063	-0.029	18.126	0.427	0.427	0.000	0.000	0.000	0.000
147	A	157	VAL	0	0.090	0.046	21.824	-0.500	-0.500	0.000	0.000	0.000	0.000
148	A	158	GLU	-1	-0.799	-0.878	15.322	73.815	73.815	0.000	0.000	0.000	0.000
149	A	159	ARG	1	0.796	0.872	17.475	-63.014	-63.014	0.000	0.000	0.000	0.000
150	A	160	ASP	-1	-0.811	-0.891	20.909	45.998	45.998	0.000	0.000	0.000	0.000
151	A	161	LYS	1	0.783	0.899	20.956	-52.875	-52.875	0.000	0.000	0.000	0.000
152	A	162	LEU	0	-0.049	-0.026	16.776	-0.124	-0.124	0.000	0.000	0.000	0.000
153	A	163	ASN	0	0.003	0.009	21.222	-0.636	-0.636	0.000	0.000	0.000	0.000
154	A	164	LYS	1	0.747	0.878	17.941	-61.699	-61.699	0.000	0.000	0.000	0.000
155	A	165	TYR	0	-0.026	-0.049	21.454	1.115	1.115	0.000	0.000	0.000	0.000
156	A	166	GLY	0	0.012	0.013	22.224	-0.395	-0.395	0.000	0.000	0.000	0.000
157	A	167	ARG	1	0.772	0.864	15.776	-65.609	-65.609	0.000	0.000	0.000	0.000
158	A	168	GLY	0	0.042	0.039	15.231	0.369	0.369	0.000	0.000	0.000	0.000
159	A	169	LEU	0	-0.015	-0.010	13.359	-1.870	-1.870	0.000	0.000	0.000	0.000
160	A	170	LEU	0	-0.007	0.001	10.246	6.121	6.121	0.000	0.000	0.000	0.000
161	A	171	GLY	0	0.059	0.011	8.630	-5.838	-5.838	0.000	0.000	0.000	0.000
166	A	176	PRO	0	0.061	0.043	7.033	-8.902	-8.902	0.000	0.000	0.000	0.000
168	A	178	LEU	0	-0.021	-0.003	7.395	-5.732	-5.732	0.000	0.000	0.000	0.000
169	A	179	GLY	0	0.048	0.013	10.936	0.095	0.095	0.000	0.000	0.000	0.000
170	A	180	LEU	0	-0.046	0.003	11.300	-5.685	-5.685	0.000	0.000	0.000	0.000
171	A	181	SER	0	0.062	0.023	14.478	-0.172	-0.172	0.000	0.000	0.000	0.000
172	A	182	ALA	0	0.078	0.035	16.004	2.671	2.671	0.000	0.000	0.000	0.000
173	A	183	LYS	1	0.947	0.980	17.021	-47.566	-47.566	0.000	0.000	0.000	0.000
174	A	184	ASN	0	-0.006	-0.022	15.906	-1.440	-1.440	0.000	0.000	0.000	0.000
175	A	185	TYR	0	0.099	0.049	8.193	1.691	1.691	0.000	0.000	0.000	0.000
176	A	186	GLY	0	0.068	0.037	13.564	2.508	2.508	0.000	0.000	0.000	0.000
177	A	187	ARG	1	0.876	0.938	16.032	-55.797	-55.797	0.000	0.000	0.000	0.000
178	A	188	ALA	0	-0.004	-0.006	11.686	-0.568	-0.568	0.000	0.000	0.000	0.000
179	A	189	VAL	0	0.064	0.028	11.319	1.923	1.923	0.000	0.000	0.000	0.000
180	A	190	TYR	0	-0.062	-0.060	13.252	-0.239	-0.239	0.000	0.000	0.000	0.000
181	A	191	GLU	-1	-0.910	-0.956	15.009	57.764	57.764	0.000	0.000	0.000	0.000
182	A	192	CYS	0	-0.037	-0.018	9.473	-0.260	-0.260	0.000	0.000	0.000	0.000
183	A	193	LEU	0	0.039	0.026	12.711	-1.134	-1.134	0.000	0.000	0.000	0.000
184	A	194	ARG	1	0.733	0.833	14.766	-56.626	-56.626	0.000	0.000	0.000	0.000
185	A	195	GLY	0	-0.032	-0.010	15.563	-2.875	-2.875	0.000	0.000	0.000	0.000
186	A	196	GLY	0	0.007	0.003	15.869	-0.471	-0.471	0.000	0.000	0.000	0.000
187	A	197	LEU	0	-0.053	-0.015	9.221	0.080	0.080	0.000	0.000	0.000	0.000
188	A	198	ASP	-1	-0.730	-0.832	12.904	67.532	67.532	0.000	0.000	0.000	0.000
189	A	199	PHE	0	0.016	-0.001	10.503	-3.277	-3.277	0.000	0.000	0.000	0.000
190	A	200	THR	0	-0.048	-0.053	8.520	3.261	3.261	0.000	0.000	0.000	0.000
192	A	202	ASP	-1	-0.712	-0.841	6.853	86.040	86.040	0.000	0.000	0.000	0.000
196	A	205	ASN	0	0.008	-0.005	5.712	-4.450	-4.450	0.000	0.000	0.000	0.000
197	A	206	VAL	0	-0.044	-0.001	8.357	-9.521	-9.521	0.000	0.000	0.000	0.000
198	A	207	ASN	0	-0.037	-0.011	10.338	-2.445	-2.445	0.000	0.000	0.000	0.000
199	A	208	SER	0	0.037	0.006	13.056	-2.115	-2.115	0.000	0.000	0.000	0.000
200	A	209	GLN	0	0.017	0.000	12.425	-1.235	-1.235	0.000	0.000	0.000	0.000
201	A	210	PRO	0	-0.018	-0.007	17.546	-1.045	-1.045	0.000	0.000	0.000	0.000
202	A	211	PHE	0	-0.039	-0.007	12.882	-1.485	-1.485	0.000	0.000	0.000	0.000
203	A	212	MET	0	-0.064	-0.012	12.153	-0.973	-0.973	0.000	0.000	0.000	0.000
204	A	213	ARG	1	0.834	0.917	16.807	-50.225	-50.225	0.000	0.000	0.000	0.000
205	A	214	TRP	0	0.059	0.008	16.596	0.375	0.375	0.000	0.000	0.000	0.000
206	A	215	ARG	1	0.969	0.992	17.615	-44.145	-44.145	0.000	0.000	0.000	0.000
207	A	216	ASP	-1	-0.888	-0.946	19.971	48.670	48.670	0.000	0.000	0.000	0.000
208	A	217	ARG	1	0.798	0.867	12.486	-75.204	-75.204	0.000	0.000	0.000	0.000
209	A	218	PHE	0	-0.017	-0.018	14.666	0.509	0.509	0.000	0.000	0.000	0.000
210	A	219	LEU	0	0.030	0.016	17.900	-0.367	-0.367	0.000	0.000	0.000	0.000
211	A	220	PHE	0	-0.012	-0.016	18.379	-1.030	-1.030	0.000	0.000	0.000	0.000
212	A	221	VAL	0	-0.002	-0.006	13.647	0.146	0.146	0.000	0.000	0.000	0.000
213	A	222	ALA	0	0.032	0.027	16.599	0.593	0.593	0.000	0.000	0.000	0.000
214	A	223	GLU	-1	-0.954	-0.976	19.423	45.141	45.141	0.000	0.000	0.000	0.000
215	A	224	ALA	0	-0.075	-0.036	16.677	-0.844	-0.844	0.000	0.000	0.000	0.000
216	A	225	ILE	0	0.019	0.002	15.615	0.215	0.215	0.000	0.000	0.000	0.000
217	A	226	TYR	0	0.024	0.026	18.167	-1.109	-1.109	0.000	0.000	0.000	0.000
218	A	227	LYS	1	0.908	0.960	21.340	-48.400	-48.400	0.000	0.000	0.000	0.000
219	A	228	ALA	0	0.027	0.004	18.351	-1.098	-1.098	0.000	0.000	0.000	0.000
220	A	229	GLN	0	0.021	0.030	20.267	2.030	2.030	0.000	0.000	0.000	0.000
221	A	230	ALA	0	0.019	0.012	21.787	-1.317	-1.317	0.000	0.000	0.000	0.000
222	A	231	GLU	-1	-0.840	-0.896	21.940	49.478	49.478	0.000	0.000	0.000	0.000
223	A	232	THR	0	-0.025	-0.036	19.225	-0.920	-0.920	0.000	0.000	0.000	0.000
224	A	233	GLY	0	0.010	0.008	22.715	-0.929	-0.929	0.000	0.000	0.000	0.000
225	A	234	GLU	-1	-0.759	-0.847	19.472	56.490	56.490	0.000	0.000	0.000	0.000
226	A	235	VAL	0	0.037	0.020	19.426	0.931	0.931	0.000	0.000	0.000	0.000
227	A	236	LYS	1	0.850	0.950	16.381	-60.935	-60.935	0.000	0.000	0.000	0.000
228	A	237	GLY	0	0.027	0.003	15.167	-2.769	-2.769	0.000	0.000	0.000	0.000
229	A	238	HIS	0	-0.027	-0.005	9.678	4.059	4.059	0.000	0.000	0.000	0.000
230	A	239	TYR	0	-0.021	-0.024	7.093	-7.827	-7.827	0.000	0.000	0.000	0.000
231	A	240	LEU	0	-0.027	-0.002	9.961	3.946	3.946	0.000	0.000	0.000	0.000
232	A	241	ASN	0	0.020	-0.001	8.357	-5.958	-5.958	0.000	0.000	0.000	0.000
233	A	242	ALA	0	-0.019	-0.004	11.252	-4.129	-4.129	0.000	0.000	0.000	0.000
234	A	243	THR	0	-0.014	-0.009	10.164	-4.753	-4.753	0.000	0.000	0.000	0.000
235	A	244	ALA	0	-0.016	-0.007	13.098	-0.991	-0.991	0.000	0.000	0.000	0.000
236	A	245	GLY	0	0.038	0.015	16.265	0.984	0.984	0.000	0.000	0.000	0.000
237	A	246	THR	0	0.017	0.014	18.925	-0.577	-0.577	0.000	0.000	0.000	0.000
238	B	247	CYS	0	0.069	-0.002	20.240	1.170	1.170	0.000	0.000	0.000	0.000
239	A	248	GLU	-1	-0.827	-0.902	21.720	44.741	44.741	0.000	0.000	0.000	0.000
240	A	249	GLU	-1	-0.841	-0.910	19.766	49.030	49.030	0.000	0.000	0.000	0.000
241	A	250	MET	0	-0.018	0.007	16.257	1.295	1.295	0.000	0.000	0.000	0.000
242	A	251	MET	0	-0.003	-0.006	18.561	1.202	1.202	0.000	0.000	0.000	0.000
243	A	252	LYS	1	0.852	0.919	21.245	-45.796	-45.796	0.000	0.000	0.000	0.000
244	A	253	ARG	1	0.734	0.849	15.715	-59.629	-59.629	0.000	0.000	0.000	0.000
245	A	254	ALA	0	0.054	0.031	18.156	0.601	0.601	0.000	0.000	0.000	0.000
246	A	255	VAL	0	-0.010	-0.006	19.003	-0.662	-0.662	0.000	0.000	0.000	0.000
247	A	256	SMC	0	-0.069	-0.016	20.698	-0.347	-0.347	0.000	0.000	0.000	0.000
248	A	257	ALA	0	0.053	0.015	17.449	-0.520	-0.520	0.000	0.000	0.000	0.000
249	A	258	LYS	1	0.906	0.933	19.513	-43.737	-43.737	0.000	0.000	0.000	0.000
250	A	259	GLU	-1	-1.013	-1.005	22.183	40.380	40.380	0.000	0.000	0.000	0.000
251	A	260	LEU	0	-0.079	-0.042	20.195	-0.918	-0.918	0.000	0.000	0.000	0.000
252	A	261	GLY	0	-0.001	0.020	23.056	-0.180	-0.180	0.000	0.000	0.000	0.000
253	A	262	VAL	0	-0.063	-0.026	17.063	0.776	0.776	0.000	0.000	0.000	0.000
254	A	263	PRO	0	0.026	0.014	17.096	-0.070	-0.070	0.000	0.000	0.000	0.000
255	A	264	ILE	0	-0.054	-0.025	12.317	0.412	0.412	0.000	0.000	0.000	0.000
256	A	265	ILE	0	0.003	0.012	13.018	0.351	0.351	0.000	0.000	0.000	0.000
257	A	266	MET	0	-0.043	-0.006	5.262	2.173	2.173	0.000	0.000	0.000	0.000
258	A	267	HIS	0	-0.040	-0.041	9.974	-6.406	-6.406	0.000	0.000	0.000	0.000
259	A	268	ASP	-1	-0.767	-0.901	7.594	112.013	112.013	0.000	0.000	0.000	0.000
260	A	269	TYR	0	-0.052	-0.037	7.409	-2.966	-2.966	0.000	0.000	0.000	0.000
261	A	270	LEU	0	-0.039	-0.002	7.922	-6.317	-6.317	0.000	0.000	0.000	0.000
262	A	271	THR	0	-0.029	-0.019	9.934	-4.332	-4.332	0.000	0.000	0.000	0.000
263	A	272	GLY	0	0.032	0.025	12.451	-4.714	-4.714	0.000	0.000	0.000	0.000
264	A	273	GLY	0	-0.011	-0.013	13.776	-5.023	-5.023	0.000	0.000	0.000	0.000
265	A	274	PHE	0	0.060	0.008	13.437	0.559	0.559	0.000	0.000	0.000	0.000
266	A	275	THR	0	-0.019	0.014	16.678	-0.626	-0.626	0.000	0.000	0.000	0.000
267	A	276	ALA	0	0.046	0.005	17.450	-1.515	-1.515	0.000	0.000	0.000	0.000
268	A	277	ASN	0	0.038	0.017	13.696	3.461	3.461	0.000	0.000	0.000	0.000
269	A	278	THR	0	0.006	0.013	16.445	0.195	0.195	0.000	0.000	0.000	0.000
270	A	279	SER	0	-0.021	-0.026	19.228	-1.298	-1.298	0.000	0.000	0.000	0.000
271	A	280	LEU	0	0.003	0.003	14.932	-1.458	-1.458	0.000	0.000	0.000	0.000
272	A	281	ALA	0	0.021	0.015	17.310	-0.504	-0.504	0.000	0.000	0.000	0.000
273	A	282	ILE	0	0.019	0.006	18.990	-1.189	-1.189	0.000	0.000	0.000	0.000
274	A	283	TYR	0	0.043	0.024	20.493	-2.142	-2.142	0.000	0.000	0.000	0.000
275	A	284	CYS	0	-0.055	-0.026	17.775	-0.258	-0.258	0.000	0.000	0.000	0.000
276	A	285	ARG	1	0.846	0.908	20.417	-48.893	-48.893	0.000	0.000	0.000	0.000
277	A	286	ASP	-1	-0.947	-0.966	23.086	41.722	41.722	0.000	0.000	0.000	0.000
278	A	287	ASN	0	-0.120	-0.063	23.040	-2.989	-2.989	0.000	0.000	0.000	0.000
279	A	288	GLY	0	0.001	0.024	23.034	-0.046	-0.046	0.000	0.000	0.000	0.000
280	A	289	LEU	0	-0.022	-0.008	18.060	0.465	0.465	0.000	0.000	0.000	0.000
281	A	290	LEU	0	-0.012	-0.001	15.636	0.129	0.129	0.000	0.000	0.000	0.000
282	A	291	LEU	0	0.004	-0.011	12.943	1.106	1.106	0.000	0.000	0.000	0.000
283	A	292	HIS	0	0.007	-0.012	5.274	-7.585	-7.585	0.000	0.000	0.000	0.000
284	A	293	ILE	0	-0.012	0.004	8.202	-0.415	-0.415	0.000	0.000	0.000	0.000
288	A	297	MET	0	-0.010	-0.013	6.083	-12.485	-12.485	0.000	0.000	0.000	0.000
290	A	299	ALA	0	0.009	0.020	6.566	-8.359	-8.359	0.000	0.000	0.000	0.000
291	A	300	VAL	0	-0.048	-0.011	8.323	-7.985	-7.985	0.000	0.000	0.000	0.000
292	A	301	ILE	0	-0.013	-0.009	10.773	-6.650	-6.650	0.000	0.000	0.000	0.000
293	A	302	ASP	-1	-0.787	-0.892	8.202	108.941	108.941	0.000	0.000	0.000	0.000
294	A	303	ARG	1	0.795	0.910	9.131	-95.524	-95.524	0.000	0.000	0.000	0.000
295	A	304	GLN	0	-0.031	-0.028	11.212	-5.269	-5.269	0.000	0.000	0.000	0.000
296	A	305	ARG	1	0.854	0.931	14.966	-54.185	-54.185	0.000	0.000	0.000	0.000
297	A	306	ASN	0	-0.016	-0.021	17.110	0.462	0.462	0.000	0.000	0.000	0.000
298	A	307	HIS	0	-0.017	-0.023	18.221	-3.555	-3.555	0.000	0.000	0.000	0.000
299	A	308	GLY	0	0.061	0.046	15.911	2.851	2.851	0.000	0.000	0.000	0.000
300	A	309	ILE	0	-0.033	-0.023	14.139	-3.843	-3.843	0.000	0.000	0.000	0.000
301	A	310	HIS	0	0.016	0.011	11.857	4.335	4.335	0.000	0.000	0.000	0.000
302	A	311	PHE	0	0.076	0.030	6.767	1.284	1.284	0.000	0.000	0.000	0.000
303	A	312	ARG	1	0.911	0.943	10.428	-65.729	-65.729	0.000	0.000	0.000	0.000
304	A	313	VAL	0	-0.013	0.015	12.916	-2.578	-2.578	0.000	0.000	0.000	0.000
305	A	314	LEU	0	-0.028	-0.018	9.500	-1.953	-1.953	0.000	0.000	0.000	0.000
306	A	315	ALA	0	0.009	0.015	10.082	0.828	0.828	0.000	0.000	0.000	0.000
307	A	316	LYS	1	0.836	0.912	11.348	-58.360	-58.360	0.000	0.000	0.000	0.000
308	A	317	ALA	0	0.012	0.004	13.968	-2.483	-2.483	0.000	0.000	0.000	0.000
309	A	318	LEU	0	0.009	0.007	10.281	-2.321	-2.321	0.000	0.000	0.000	0.000
310	A	319	ARG	1	0.766	0.895	13.164	-61.312	-61.312	0.000	0.000	0.000	0.000
311	A	320	MET	0	-0.004	0.001	15.333	-2.415	-2.415	0.000	0.000	0.000	0.000
312	A	321	SER	0	-0.069	-0.043	15.439	-1.081	-1.081	0.000	0.000	0.000	0.000
313	A	322	GLY	0	0.031	0.007	15.821	-2.443	-2.443	0.000	0.000	0.000	0.000
314	A	323	GLY	0	0.023	-0.018	13.143	2.570	2.570	0.000	0.000	0.000	0.000
315	A	324	ASP	-1	-0.725	-0.852	14.174	62.487	62.487	0.000	0.000	0.000	0.000
316	A	325	HIS	1	0.742	0.855	9.502	-89.158	-89.158	0.000	0.000	0.000	0.000
317	A	326	LEU	0	0.037	0.014	6.748	-1.772	-1.772	0.000	0.000	0.000	0.000
322	A	331	VAL	0	0.019	0.038	7.147	-12.034	-12.034	0.000	0.000	0.000	0.000
323	A	332	VAL	0	-0.019	-0.023	9.221	-3.205	-3.205	0.000	0.000	0.000	0.000
324	A	333	GLY	0	0.011	0.018	7.033	-3.892	-3.892	0.000	0.000	0.000	0.000
328	A	337	GLY	0	0.035	0.004	5.779	13.120	13.120	0.000	0.000	0.000	0.000
329	A	338	GLU	-1	-0.836	-0.910	8.050	67.863	67.863	0.000	0.000	0.000	0.000
330	A	339	ARG	1	0.897	0.939	11.777	-64.233	-64.233	0.000	0.000	0.000	0.000
331	A	340	GLU	-1	-0.854	-0.926	13.487	60.974	60.974	0.000	0.000	0.000	0.000
332	A	341	VAL	0	-0.042	-0.016	11.209	-0.990	-0.990	0.000	0.000	0.000	0.000
333	A	342	THR	0	-0.057	-0.050	9.045	3.847	3.847	0.000	0.000	0.000	0.000
334	A	343	LEU	0	-0.010	-0.008	11.272	0.374	0.374	0.000	0.000	0.000	0.000
335	A	344	GLY	0	0.053	0.039	14.466	-2.444	-2.444	0.000	0.000	0.000	0.000
336	A	345	PHE	0	-0.040	-0.027	7.714	-1.374	-1.374	0.000	0.000	0.000	0.000
337	A	346	VAL	0	0.006	-0.001	10.739	1.467	1.467	0.000	0.000	0.000	0.000
338	A	347	ASP	-1	-0.843	-0.911	13.065	59.862	59.862	0.000	0.000	0.000	0.000
339	A	348	LEU	0	-0.091	-0.045	15.260	-2.205	-2.205	0.000	0.000	0.000	0.000
340	A	349	MET	0	-0.071	-0.016	9.443	0.988	0.988	0.000	0.000	0.000	0.000
341	A	350	ARG	1	0.841	0.923	14.058	-72.707	-72.707	0.000	0.000	0.000	0.000
342	A	351	ASP	-1	-0.869	-0.922	16.589	54.677	54.677	0.000	0.000	0.000	0.000
343	A	352	ASP	-1	-0.894	-0.953	20.075	45.735	45.735	0.000	0.000	0.000	0.000
344	A	353	TYR	0	-0.009	-0.004	23.169	-1.028	-1.028	0.000	0.000	0.000	0.000
345	A	354	VAL	0	0.010	0.011	19.564	0.387	0.387	0.000	0.000	0.000	0.000
346	A	355	GLU	-1	-0.905	-0.958	22.947	39.527	39.527	0.000	0.000	0.000	0.000
347	A	356	LYS	1	0.929	0.958	23.524	-39.231	-39.231	0.000	0.000	0.000	0.000
348	A	357	ASP	-1	-0.789	-0.889	21.872	48.445	48.445	0.000	0.000	0.000	0.000
349	A	358	ARG	1	0.872	0.931	21.413	-43.763	-43.763	0.000	0.000	0.000	0.000
350	A	359	SER	0	-0.111	-0.049	21.318	1.620	1.620	0.000	0.000	0.000	0.000
351	A	360	ARG	1	0.990	0.976	17.530	-56.278	-56.278	0.000	0.000	0.000	0.000
352	A	361	GLY	0	-0.052	-0.030	17.007	3.211	3.211	0.000	0.000	0.000	0.000
353	A	362	ILE	0	-0.032	0.006	18.372	0.922	0.922	0.000	0.000	0.000	0.000
354	A	363	TYR	0	-0.047	-0.047	19.365	-3.470	-3.470	0.000	0.000	0.000	0.000
355	A	364	PHE	0	-0.063	-0.036	22.403	-2.713	-2.713	0.000	0.000	0.000	0.000
356	A	365	THR	0	0.036	0.028	22.993	1.873	1.873	0.000	0.000	0.000	0.000
357	A	366	GLN	0	-0.053	-0.023	20.090	-0.181	-0.181	0.000	0.000	0.000	0.000
358	A	367	ASP	-1	-0.830	-0.916	23.305	41.888	41.888	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.048	-0.041	17.421	-0.134	-0.134	0.000	0.000	0.000	0.000
360	A	369	SMC	0	-0.045	-0.015	23.373	-0.504	-0.504	0.000	0.000	0.000	0.000
361	A	370	SER	0	-0.030	-0.026	25.452	-1.354	-1.354	0.000	0.000	0.000	0.000
362	A	371	MET	0	-0.068	-0.001	20.258	1.086	1.086	0.000	0.000	0.000	0.000
363	A	372	PRO	0	0.028	0.024	19.887	1.060	1.060	0.000	0.000	0.000	0.000
364	A	373	GLY	0	0.038	0.030	17.814	1.272	1.272	0.000	0.000	0.000	0.000
365	A	374	VAL	0	-0.022	-0.027	11.655	-0.035	-0.035	0.000	0.000	0.000	0.000
366	A	375	MET	0	0.014	0.002	11.692	0.660	0.660	0.000	0.000	0.000	0.000
367	A	376	PRO	0	-0.014	0.003	9.001	6.068	6.068	0.000	0.000	0.000	0.000
368	A	377	VAL	0	-0.013	-0.011	5.341	-3.131	-3.131	0.000	0.000	0.000	0.000
374	A	383	HIS	0	0.017	-0.028	5.779	6.352	6.352	0.000	0.000	0.000	0.000
375	A	384	VAL	0	0.063	0.020	8.510	-4.386	-4.386	0.000	0.000	0.000	0.000
376	A	385	TRP	0	-0.084	-0.044	11.795	-7.054	-7.054	0.000	0.000	0.000	0.000
377	A	386	HIS	0	0.035	0.029	9.044	0.842	0.842	0.000	0.000	0.000	0.000
378	A	387	MET	0	-0.047	0.006	10.880	0.134	0.134	0.000	0.000	0.000	0.000
379	A	388	PRO	0	0.022	0.001	13.347	-0.987	-0.987	0.000	0.000	0.000	0.000
380	A	389	ALA	0	0.020	0.011	14.588	-1.729	-1.729	0.000	0.000	0.000	0.000
381	A	390	LEU	0	-0.002	0.006	9.455	0.916	0.916	0.000	0.000	0.000	0.000
382	A	391	VAL	0	0.024	0.000	13.276	-0.753	-0.753	0.000	0.000	0.000	0.000
383	A	392	GLU	-1	-0.906	-0.940	16.087	62.004	62.004	0.000	0.000	0.000	0.000
384	A	393	ILE	0	-0.043	-0.012	12.113	-1.666	-1.666	0.000	0.000	0.000	0.000
385	A	394	PHE	0	-0.019	-0.012	8.585	-0.400	-0.400	0.000	0.000	0.000	0.000
386	A	395	GLY	0	0.035	0.031	13.862	-2.681	-2.681	0.000	0.000	0.000	0.000
387	A	396	ASP	-1	-0.823	-0.918	15.621	63.292	63.292	0.000	0.000	0.000	0.000
388	A	397	ASP	-1	-0.912	-0.943	15.833	63.327	63.327	0.000	0.000	0.000	0.000
389	A	398	ALA	0	0.031	0.003	10.790	2.617	2.617	0.000	0.000	0.000	0.000
390	A	399	CYS	0	-0.057	-0.008	9.657	-3.389	-3.389	0.000	0.000	0.000	0.000
391	A	400	LEU	0	0.007	0.001	8.658	10.397	10.397	0.000	0.000	0.000	0.000
397	A	406	THR	0	-0.050	-0.039	6.049	-20.449	-20.449	0.000	0.000	0.000	0.000
398	A	407	LEU	0	-0.016	-0.023	6.474	-12.876	-12.876	0.000	0.000	0.000	0.000
399	A	408	GLY	0	0.025	0.010	7.436	-7.039	-7.039	0.000	0.000	0.000	0.000
400	A	409	HIS	0	-0.034	-0.006	8.615	-5.656	-5.656	0.000	0.000	0.000	0.000
401	A	410	PRO	0	-0.017	-0.017	11.643	-1.898	-1.898	0.000	0.000	0.000	0.000
402	A	411	TRP	0	-0.022	-0.036	14.828	-3.261	-3.261	0.000	0.000	0.000	0.000
403	A	412	GLY	0	0.037	0.038	13.714	-2.929	-2.929	0.000	0.000	0.000	0.000
404	A	413	ASN	0	0.019	-0.002	11.267	3.309	3.309	0.000	0.000	0.000	0.000
405	A	414	ALA	0	0.043	0.045	12.779	2.197	2.197	0.000	0.000	0.000	0.000
406	A	415	PRO	0	0.017	-0.009	15.320	-0.151	-0.151	0.000	0.000	0.000	0.000
407	A	416	GLY	0	0.029	0.011	11.498	0.006	0.006	0.000	0.000	0.000	0.000
408	A	417	ALA	0	-0.013	0.003	11.245	3.343	3.343	0.000	0.000	0.000	0.000
409	A	418	ALA	0	0.024	0.024	12.192	-0.342	-0.342	0.000	0.000	0.000	0.000
410	A	419	ALA	0	-0.059	-0.023	13.040	-1.716	-1.716	0.000	0.000	0.000	0.000
411	A	420	ASN	0	0.010	-0.006	8.443	-1.883	-1.883	0.000	0.000	0.000	0.000
412	A	421	ARG	1	0.741	0.845	11.997	-62.455	-62.455	0.000	0.000	0.000	0.000
413	A	422	VAL	0	-0.005	-0.008	14.802	-2.828	-2.828	0.000	0.000	0.000	0.000
414	A	423	ALA	0	-0.011	-0.003	13.785	-2.258	-2.258	0.000	0.000	0.000	0.000
415	A	424	LEU	0	0.038	0.006	13.710	-1.708	-1.708	0.000	0.000	0.000	0.000
416	A	425	GLU	-1	-0.745	-0.864	15.593	53.368	53.368	0.000	0.000	0.000	0.000
417	A	426	ALA	0	0.015	0.009	18.997	-2.627	-2.627	0.000	0.000	0.000	0.000
418	A	427	CYS	0	-0.054	-0.024	17.371	-1.871	-1.871	0.000	0.000	0.000	0.000
419	A	428	THR	0	-0.004	-0.007	18.447	-1.026	-1.026	0.000	0.000	0.000	0.000
420	A	429	GLN	0	0.000	0.003	20.851	-1.192	-1.192	0.000	0.000	0.000	0.000
421	A	430	ALA	0	-0.011	-0.010	22.927	-1.741	-1.741	0.000	0.000	0.000	0.000
422	A	431	ARG	1	0.821	0.901	19.931	-57.965	-57.965	0.000	0.000	0.000	0.000
423	A	432	ASN	0	-0.017	-0.021	24.382	-0.055	-0.055	0.000	0.000	0.000	0.000
424	A	433	GLU	-1	-0.961	-0.987	26.721	41.133	41.133	0.000	0.000	0.000	0.000
425	A	434	GLY	0	-0.025	0.000	28.102	-1.556	-1.556	0.000	0.000	0.000	0.000
426	A	435	ARG	1	0.866	0.946	25.844	-45.983	-45.983	0.000	0.000	0.000	0.000
427	A	436	ASP	-1	-0.835	-0.912	25.043	51.214	51.214	0.000	0.000	0.000	0.000
428	A	437	LEU	0	-0.019	-0.019	19.383	0.364	0.364	0.000	0.000	0.000	0.000
429	A	438	ALA	0	0.012	0.013	21.220	1.860	1.860	0.000	0.000	0.000	0.000
430	A	439	ARG	1	0.896	0.943	22.206	-44.902	-44.902	0.000	0.000	0.000	0.000
431	A	440	GLU	-1	-0.863	-0.945	24.711	43.912	43.912	0.000	0.000	0.000	0.000
432	A	441	GLY	0	0.055	0.027	20.325	0.086	0.086	0.000	0.000	0.000	0.000
433	A	442	GLY	0	-0.023	-0.023	20.231	1.131	1.131	0.000	0.000	0.000	0.000
434	A	443	ASP	-1	-0.865	-0.926	21.214	46.414	46.414	0.000	0.000	0.000	0.000
435	A	444	VAL	0	-0.030	-0.004	20.546	-1.210	-1.210	0.000	0.000	0.000	0.000
436	A	445	ILE	0	0.041	0.022	16.083	-0.676	-0.676	0.000	0.000	0.000	0.000
437	A	446	ARG	1	0.891	0.924	19.492	-51.911	-51.911	0.000	0.000	0.000	0.000
438	A	447	SER	0	-0.078	-0.034	22.149	-1.896	-1.896	0.000	0.000	0.000	0.000
439	A	448	ALA	0	0.038	0.023	19.738	-1.261	-1.261	0.000	0.000	0.000	0.000
440	A	449	CYS	0	-0.133	-0.077	14.110	2.599	2.599	0.000	0.000	0.000	0.000
441	A	450	LYS	1	0.897	0.947	20.756	-44.160	-44.160	0.000	0.000	0.000	0.000
442	A	451	TRP	0	-0.029	0.004	21.779	-1.237	-1.237	0.000	0.000	0.000	0.000
443	A	452	SER	0	0.021	0.026	19.701	-0.053	-0.053	0.000	0.000	0.000	0.000
444	A	453	PRO	0	0.042	0.009	20.615	1.743	1.743	0.000	0.000	0.000	0.000
445	A	454	GLU	-1	-0.802	-0.896	16.893	53.876	53.876	0.000	0.000	0.000	0.000
446	A	455	LEU	0	0.037	0.015	15.143	3.877	3.877	0.000	0.000	0.000	0.000
447	A	456	ALA	0	0.001	-0.006	16.615	2.480	2.480	0.000	0.000	0.000	0.000
448	A	457	ALA	0	-0.028	-0.008	17.268	0.644	0.644	0.000	0.000	0.000	0.000
449	A	458	ALA	0	0.004	0.004	12.499	1.986	1.986	0.000	0.000	0.000	0.000
450	A	460	GLU	-1	-0.893	-0.951	16.255	54.968	54.968	0.000	0.000	0.000	0.000
451	A	461	VAL	0	-0.061	-0.014	12.357	-0.186	-0.186	0.000	0.000	0.000	0.000
452	A	462	TRP	0	-0.017	-0.023	8.660	2.308	2.308	0.000	0.000	0.000	0.000
453	A	463	LYS	1	0.935	0.983	13.156	-51.922	-51.922	0.000	0.000	0.000	0.000
454	A	464	GLU	-1	-0.924	-0.967	16.018	58.705	58.705	0.000	0.000	0.000	0.000
455	A	465	ILE	0	-0.085	-0.021	9.643	0.636	0.636	0.000	0.000	0.000	0.000
456	A	466	LYS	1	0.972	0.985	12.065	-63.276	-63.276	0.000	0.000	0.000	0.000
457	A	467	PHE	0	0.003	0.001	7.188	1.644	1.644	0.000	0.000	0.000	0.000
458	A	468	GLU	-1	-0.960	-0.979	11.670	71.234	71.234	0.000	0.000	0.000	0.000
459	A	469	PHE	0	0.025	0.002	12.327	-2.284	-2.284	0.000	0.000	0.000	0.000
460	A	470	ASP	-1	-0.835	-0.911	14.853	61.424	61.424	0.000	0.000	0.000	0.000
461	A	471	THR	0	-0.027	-0.010	12.043	3.149	3.149	0.000	0.000	0.000	0.000
462	A	472	ILE	0	-0.042	-0.030	12.713	-5.338	-5.338	0.000	0.000	0.000	0.000
463	A	473	ASP	-1	-0.812	-0.889	11.186	74.618	74.618	0.000	0.000	0.000	0.000
464	A	474	LYS	1	0.847	0.929	13.231	-59.707	-59.707	0.000	0.000	0.000	0.000
465	A	475	LEU	0	0.030	0.025	16.097	-3.706	-3.706	0.000	0.000	0.000	0.000
466	B	9	ALA	0	-0.017	-0.020	25.678	-0.292	-0.292	0.000	0.000	0.000	0.000
467	B	10	GLY	0	0.032	0.020	25.199	-0.589	-0.589	0.000	0.000	0.000	0.000
468	B	11	ALA	0	-0.017	-0.015	19.978	0.436	0.436	0.000	0.000	0.000	0.000
469	B	12	GLY	0	0.025	0.020	19.771	-0.045	-0.045	0.000	0.000	0.000	0.000
470	B	13	PHE	0	-0.040	-0.009	11.602	0.631	0.631	0.000	0.000	0.000	0.000
471	B	14	LYS	1	0.938	0.967	15.251	-61.114	-61.114	0.000	0.000	0.000	0.000
472	B	15	ALA	0	0.026	0.019	12.400	2.620	2.620	0.000	0.000	0.000	0.000
473	B	16	GLY	0	0.054	0.019	11.229	-4.610	-4.610	0.000	0.000	0.000	0.000
474	B	17	VAL	0	-0.002	-0.001	9.183	2.992	2.992	0.000	0.000	0.000	0.000
475	B	18	LYS	1	0.882	0.951	11.411	-79.573	-79.573	0.000	0.000	0.000	0.000
476	B	19	ASP	-1	-0.883	-0.930	12.265	72.693	72.693	0.000	0.000	0.000	0.000
477	B	20	TYR	0	-0.028	-0.048	6.728	-4.121	-4.121	0.000	0.000	0.000	0.000
478	B	21	ARG	1	0.881	0.921	13.209	-58.766	-58.766	0.000	0.000	0.000	0.000
479	B	22	LEU	0	-0.060	-0.026	16.096	-3.327	-3.327	0.000	0.000	0.000	0.000
480	B	23	THR	0	-0.051	-0.016	13.840	-3.672	-3.672	0.000	0.000	0.000	0.000
481	B	24	TYR	0	-0.007	-0.018	11.011	-0.853	-0.853	0.000	0.000	0.000	0.000
482	B	25	TYR	0	-0.009	0.016	16.050	0.307	0.307	0.000	0.000	0.000	0.000
483	B	26	THR	0	-0.071	-0.052	19.335	-0.761	-0.761	0.000	0.000	0.000	0.000
484	B	27	PRO	0	0.038	0.024	22.131	-0.262	-0.262	0.000	0.000	0.000	0.000
485	B	28	ASP	-1	-0.894	-0.932	25.324	41.116	41.116	0.000	0.000	0.000	0.000
486	B	29	TYR	0	-0.170	-0.102	23.743	-0.813	-0.813	0.000	0.000	0.000	0.000
487	B	30	VAL	0	0.013	0.010	25.919	-0.438	-0.438	0.000	0.000	0.000	0.000
488	B	31	VAL	0	-0.028	-0.013	25.257	0.577	0.577	0.000	0.000	0.000	0.000
489	B	32	ARG	1	0.941	0.969	24.953	-47.304	-47.304	0.000	0.000	0.000	0.000
490	B	33	ASP	-1	-0.870	-0.942	26.921	39.789	39.789	0.000	0.000	0.000	0.000
491	B	34	THR	0	-0.049	-0.042	25.063	-0.446	-0.446	0.000	0.000	0.000	0.000
492	B	35	ASP	-1	-0.819	-0.883	22.623	52.193	52.193	0.000	0.000	0.000	0.000
493	B	36	ILE	0	0.005	0.011	18.483	-1.933	-1.933	0.000	0.000	0.000	0.000
494	B	37	LEU	0	-0.047	-0.013	20.178	1.815	1.815	0.000	0.000	0.000	0.000
495	B	38	ALA	0	0.031	0.025	17.449	-0.292	-0.292	0.000	0.000	0.000	0.000
496	B	39	ALA	0	0.014	0.019	19.315	-0.524	-0.524	0.000	0.000	0.000	0.000
497	B	40	PHE	0	0.004	-0.008	13.579	0.255	0.255	0.000	0.000	0.000	0.000
498	B	41	ARG	1	0.823	0.914	18.524	-51.340	-51.340	0.000	0.000	0.000	0.000
499	B	42	MET	0	0.009	0.000	16.977	3.822	3.822	0.000	0.000	0.000	0.000
500	B	43	THR	0	-0.001	0.003	17.456	-4.444	-4.444	0.000	0.000	0.000	0.000
501	B	44	PRO	0	0.031	0.015	17.040	4.359	4.359	0.000	0.000	0.000	0.000
502	B	45	GLN	0	-0.017	-0.002	13.712	-8.081	-8.081	0.000	0.000	0.000	0.000
503	B	46	PRO	0	0.024	-0.005	17.928	-1.167	-1.167	0.000	0.000	0.000	0.000
504	B	47	GLY	0	-0.003	0.006	20.436	1.494	1.494	0.000	0.000	0.000	0.000
505	B	48	VAL	0	-0.035	-0.002	15.930	0.610	0.610	0.000	0.000	0.000	0.000
506	B	49	PRO	0	-0.006	-0.002	18.349	-1.666	-1.666	0.000	0.000	0.000	0.000
507	B	50	PRO	0	0.094	0.040	19.116	3.447	3.447	0.000	0.000	0.000	0.000
508	B	51	GLU	-1	-0.842	-0.941	19.547	53.387	53.387	0.000	0.000	0.000	0.000
509	B	52	GLU	-1	-0.747	-0.873	13.889	79.044	79.044	0.000	0.000	0.000	0.000
510	B	53	CYS	0	-0.023	-0.010	15.066	5.532	5.532	0.000	0.000	0.000	0.000
511	B	54	GLY	0	0.038	0.009	14.800	4.063	4.063	0.000	0.000	0.000	0.000
512	B	55	ALA	0	-0.040	-0.005	15.348	2.036	2.036	0.000	0.000	0.000	0.000
513	B	56	ALA	0	0.025	0.013	11.015	3.780	3.780	0.000	0.000	0.000	0.000
514	B	57	VAL	0	0.009	0.011	10.814	7.884	7.884	0.000	0.000	0.000	0.000
515	B	58	ALA	0	0.023	0.024	11.632	3.329	3.329	0.000	0.000	0.000	0.000
516	B	59	ALA	0	-0.009	0.012	10.018	1.311	1.311	0.000	0.000	0.000	0.000
517	B	60	GLU	-1	-0.761	-0.878	5.383	182.561	182.561	0.000	0.000	0.000	0.000
518	B	61	SER	0	-0.040	-0.002	7.367	4.807	4.807	0.000	0.000	0.000	0.000
519	B	62	SER	0	-0.033	-0.043	9.847	-7.056	-7.056	0.000	0.000	0.000	0.000
520	B	63	THR	0	0.002	-0.006	9.891	2.615	2.615	0.000	0.000	0.000	0.000
521	B	64	GLY	0	0.001	0.012	7.871	1.418	1.418	0.000	0.000	0.000	0.000
524	B	67	THR	0	-0.003	0.001	5.347	-22.359	-22.359	0.000	0.000	0.000	0.000
525	B	68	THR	0	-0.048	-0.018	6.678	5.121	5.121	0.000	0.000	0.000	0.000
526	B	69	VAL	0	0.025	0.007	5.823	1.285	1.285	0.000	0.000	0.000	0.000
527	B	70	TRP	0	-0.029	-0.029	8.951	-8.266	-8.266	0.000	0.000	0.000	0.000
528	B	71	THR	0	-0.040	-0.067	9.673	-5.410	-5.410	0.000	0.000	0.000	0.000
529	B	72	ASP	-1	-0.859	-0.930	10.685	86.298	86.298	0.000	0.000	0.000	0.000
530	B	73	GLY	0	-0.054	-0.026	12.995	-3.740	-3.740	0.000	0.000	0.000	0.000
531	B	74	LEU	0	-0.097	-0.040	15.146	-3.766	-3.766	0.000	0.000	0.000	0.000
532	B	75	THR	0	-0.046	-0.032	14.435	-3.264	-3.264	0.000	0.000	0.000	0.000
533	B	76	SER	0	-0.008	0.000	17.437	-1.158	-1.158	0.000	0.000	0.000	0.000
534	B	77	LEU	0	0.093	0.024	11.976	-0.622	-0.622	0.000	0.000	0.000	0.000
535	B	78	ASP	-1	-0.951	-0.959	16.031	55.064	55.064	0.000	0.000	0.000	0.000
536	B	79	ARG	1	0.878	0.946	19.307	-52.148	-52.148	0.000	0.000	0.000	0.000
537	B	80	TYR	0	-0.011	-0.012	15.135	-0.880	-0.880	0.000	0.000	0.000	0.000
538	B	81	LYS	1	0.846	0.929	14.461	-59.868	-59.868	0.000	0.000	0.000	0.000
539	B	82	GLY	0	0.052	0.025	14.475	-4.034	-4.034	0.000	0.000	0.000	0.000
540	B	83	ARG	1	0.839	0.917	16.052	-54.084	-54.084	0.000	0.000	0.000	0.000
541	B	84	CYS	0	0.028	0.017	17.926	-1.352	-1.352	0.000	0.000	0.000	0.000
542	B	85	TYR	0	-0.022	-0.024	19.549	-0.511	-0.511	0.000	0.000	0.000	0.000
543	B	86	ASP	-1	-0.856	-0.929	22.905	43.117	43.117	0.000	0.000	0.000	0.000
544	B	87	ILE	0	-0.053	-0.023	21.036	3.008	3.008	0.000	0.000	0.000	0.000
545	B	88	GLU	-1	-0.828	-0.907	24.344	41.712	41.712	0.000	0.000	0.000	0.000
546	B	89	PRO	0	-0.014	-0.003	25.916	1.714	1.714	0.000	0.000	0.000	0.000
547	B	90	VAL	0	-0.008	0.001	25.058	-0.955	-0.955	0.000	0.000	0.000	0.000
548	B	91	PRO	0	-0.004	-0.017	28.161	-0.456	-0.456	0.000	0.000	0.000	0.000
549	B	92	GLY	0	-0.023	-0.010	30.866	0.125	0.125	0.000	0.000	0.000	0.000
550	B	93	GLU	-1	-0.908	-0.953	26.321	44.715	44.715	0.000	0.000	0.000	0.000
551	B	94	ASP	-1	-0.917	-0.950	28.032	40.279	40.279	0.000	0.000	0.000	0.000
552	B	95	ASN	0	-0.096	-0.061	20.960	0.408	0.408	0.000	0.000	0.000	0.000
553	B	96	GLN	0	0.065	0.026	22.014	1.925	1.925	0.000	0.000	0.000	0.000
554	B	97	TYR	0	-0.003	-0.006	21.893	-2.398	-2.398	0.000	0.000	0.000	0.000
555	B	98	ILE	0	-0.013	0.002	21.869	2.376	2.376	0.000	0.000	0.000	0.000
556	B	99	ALA	0	0.008	0.002	18.752	-1.121	-1.121	0.000	0.000	0.000	0.000
557	B	100	TYR	0	-0.029	-0.016	19.985	1.333	1.333	0.000	0.000	0.000	0.000
558	B	101	VAL	0	0.005	-0.002	15.771	0.585	0.585	0.000	0.000	0.000	0.000
559	B	102	ALA	0	-0.018	-0.002	19.097	-1.402	-1.402	0.000	0.000	0.000	0.000
560	B	103	TYR	0	-0.012	-0.040	13.274	0.981	0.981	0.000	0.000	0.000	0.000
561	B	104	HYP	0	0.000	0.003	17.295	-3.188	-3.188	0.000	0.000	0.000	0.000
562	B	105	ILE	0	0.061	0.019	18.648	2.166	2.166	0.000	0.000	0.000	0.000
563	B	106	ASP	-1	-0.913	-0.965	18.718	53.632	53.632	0.000	0.000	0.000	0.000
564	B	107	LEU	0	-0.072	-0.039	13.709	1.867	1.867	0.000	0.000	0.000	0.000
565	B	108	PHE	0	-0.019	0.004	14.697	4.396	4.396	0.000	0.000	0.000	0.000
566	B	109	GLU	-1	-0.811	-0.884	16.070	58.508	58.508	0.000	0.000	0.000	0.000
567	B	110	GLU	-1	-0.785	-0.881	17.753	51.703	51.703	0.000	0.000	0.000	0.000
568	B	111	GLY	0	0.039	0.025	21.251	0.251	0.251	0.000	0.000	0.000	0.000
569	B	112	SER	0	-0.017	-0.005	16.405	0.058	0.058	0.000	0.000	0.000	0.000
570	B	113	VAL	0	0.028	0.013	17.482	2.061	2.061	0.000	0.000	0.000	0.000
571	B	114	THR	0	-0.006	-0.006	13.551	1.896	1.896	0.000	0.000	0.000	0.000
572	B	115	ASN	0	0.000	0.002	12.321	2.444	2.444	0.000	0.000	0.000	0.000
573	B	116	MET	0	-0.007	0.013	12.800	3.509	3.509	0.000	0.000	0.000	0.000
574	B	117	PHE	0	-0.002	-0.024	12.634	2.117	2.117	0.000	0.000	0.000	0.000
575	B	118	THR	0	0.005	0.020	8.027	3.932	3.932	0.000	0.000	0.000	0.000
576	B	119	SER	0	0.022	0.012	8.166	11.780	11.780	0.000	0.000	0.000	0.000
577	B	120	ILE	0	-0.048	-0.008	9.522	5.002	5.002	0.000	0.000	0.000	0.000
578	B	121	VAL	0	-0.015	-0.027	10.416	-0.228	-0.228	0.000	0.000	0.000	0.000
579	B	122	GLY	0	0.022	0.034	6.598	2.989	2.989	0.000	0.000	0.000	0.000
582	B	125	PHE	0	0.019	0.011	8.293	-3.224	-3.224	0.000	0.000	0.000	0.000
583	B	126	GLY	0	0.029	0.012	5.912	-6.659	-6.659	0.000	0.000	0.000	0.000
584	B	127	PHE	0	-0.009	0.005	5.322	3.972	3.972	0.000	0.000	0.000	0.000
585	B	128	LYS	1	0.812	0.908	8.335	-120.961	-120.961	0.000	0.000	0.000	0.000
586	B	129	ALA	0	-0.001	0.008	10.286	-7.784	-7.784	0.000	0.000	0.000	0.000
587	B	130	LEU	0	-0.031	-0.013	11.471	-6.824	-6.824	0.000	0.000	0.000	0.000
588	B	131	ARG	1	0.818	0.895	12.806	-58.609	-58.609	0.000	0.000	0.000	0.000
589	B	132	ALA	0	-0.001	-0.006	14.672	-0.291	-0.291	0.000	0.000	0.000	0.000
590	B	133	LEU	0	-0.017	-0.003	12.270	-0.405	-0.405	0.000	0.000	0.000	0.000
591	B	134	ARG	1	0.851	0.924	15.369	-51.394	-51.394	0.000	0.000	0.000	0.000
592	B	135	LEU	0	-0.036	0.005	15.478	-1.393	-1.393	0.000	0.000	0.000	0.000
593	B	136	GLU	-1	-0.792	-0.898	17.580	48.616	48.616	0.000	0.000	0.000	0.000
594	B	137	ASP	-1	-0.801	-0.915	20.775	44.480	44.480	0.000	0.000	0.000	0.000
595	B	138	LEU	0	0.014	-0.005	17.263	2.736	2.736	0.000	0.000	0.000	0.000
596	B	139	ARG	1	0.872	0.958	21.400	-47.694	-47.694	0.000	0.000	0.000	0.000
597	B	140	ILE	0	0.012	-0.017	21.021	1.857	1.857	0.000	0.000	0.000	0.000
598	B	141	PRO	0	0.004	0.026	23.317	-2.041	-2.041	0.000	0.000	0.000	0.000
599	B	142	PRO	0	0.133	0.049	26.446	0.858	0.858	0.000	0.000	0.000	0.000
600	B	143	ALA	0	-0.027	-0.020	26.967	-0.051	-0.051	0.000	0.000	0.000	0.000
601	B	144	TYR	0	0.019	-0.007	18.822	0.425	0.425	0.000	0.000	0.000	0.000
602	B	145	VAL	0	0.037	0.030	24.707	0.617	0.617	0.000	0.000	0.000	0.000
603	B	146	LYS	1	0.923	0.954	26.632	-36.537	-36.537	0.000	0.000	0.000	0.000
604	B	147	THR	0	-0.101	-0.049	23.879	-0.086	-0.086	0.000	0.000	0.000	0.000
605	B	148	PHE	0	0.004	-0.001	20.606	0.970	0.970	0.000	0.000	0.000	0.000
606	B	149	VAL	0	-0.021	0.000	26.288	-1.311	-1.311	0.000	0.000	0.000	0.000
607	B	150	GLY	0	0.012	0.011	27.500	-1.318	-1.318	0.000	0.000	0.000	0.000
608	B	151	HYP	0	-0.044	-0.039	28.554	-0.046	-0.046	0.000	0.000	0.000	0.000
609	B	152	PRO	0	-0.026	0.008	30.429	-0.663	-0.663	0.000	0.000	0.000	0.000
610	B	153	HIS	0	-0.049	-0.026	33.219	-1.464	-1.464	0.000	0.000	0.000	0.000
611	B	154	GLY	0	0.048	0.022	34.977	-0.203	-0.203	0.000	0.000	0.000	0.000
612	B	155	ILE	0	-0.030	-0.017	35.794	-0.841	-0.841	0.000	0.000	0.000	0.000
613	B	156	GLN	0	-0.044	-0.017	38.400	-0.199	-0.199	0.000	0.000	0.000	0.000
614	B	157	VAL	0	0.060	0.035	39.174	-0.589	-0.589	0.000	0.000	0.000	0.000
615	B	158	GLU	-1	-0.795	-0.883	37.736	30.928	30.928	0.000	0.000	0.000	0.000
616	B	159	ARG	1	0.795	0.872	40.630	-28.156	-28.156	0.000	0.000	0.000	0.000
617	B	160	ASP	-1	-0.818	-0.884	43.778	25.946	25.946	0.000	0.000	0.000	0.000
618	B	161	LYS	1	0.795	0.913	39.781	-29.833	-29.833	0.000	0.000	0.000	0.000
619	B	162	LEU	0	-0.051	-0.026	41.388	-0.330	-0.330	0.000	0.000	0.000	0.000
620	B	163	ASN	0	0.004	0.008	45.500	-0.422	-0.422	0.000	0.000	0.000	0.000
621	B	164	LYS	1	0.742	0.877	45.298	-25.985	-25.985	0.000	0.000	0.000	0.000
622	B	165	TYR	0	-0.023	-0.057	46.547	0.486	0.486	0.000	0.000	0.000	0.000
623	B	166	GLY	0	0.008	0.011	48.144	-0.453	-0.453	0.000	0.000	0.000	0.000
624	B	167	ARG	1	0.779	0.874	46.674	-25.595	-25.595	0.000	0.000	0.000	0.000
625	B	168	GLY	0	0.045	0.041	43.511	0.406	0.406	0.000	0.000	0.000	0.000
626	B	169	LEU	0	-0.018	-0.011	40.463	-0.558	-0.558	0.000	0.000	0.000	0.000
627	B	170	LEU	0	0.003	0.000	42.156	0.372	0.372	0.000	0.000	0.000	0.000
628	B	171	GLY	0	0.041	0.003	39.825	-0.122	-0.122	0.000	0.000	0.000	0.000
629	B	172	CYS	0	-0.069	-0.025	39.628	-0.325	-0.325	0.000	0.000	0.000	0.000
630	B	173	THR	0	0.108	0.050	34.453	0.028	0.028	0.000	0.000	0.000	0.000
631	B	174	ILE	0	-0.010	-0.008	37.506	-0.701	-0.701	0.000	0.000	0.000	0.000
632	B	175	LYS	1	0.854	0.920	34.635	-32.116	-32.116	0.000	0.000	0.000	0.000
633	B	176	PRO	0	0.045	0.040	38.049	-0.869	-0.869	0.000	0.000	0.000	0.000
634	B	177	LYS	1	0.755	0.886	30.491	-36.343	-36.343	0.000	0.000	0.000	0.000
635	B	178	LEU	0	-0.013	-0.002	30.487	0.046	0.046	0.000	0.000	0.000	0.000
636	B	179	GLY	0	0.054	0.021	35.109	-0.556	-0.556	0.000	0.000	0.000	0.000
637	B	180	LEU	0	-0.054	-0.001	38.110	-0.998	-0.998	0.000	0.000	0.000	0.000
638	B	181	SER	0	0.062	0.023	39.502	0.453	0.453	0.000	0.000	0.000	0.000
639	B	182	ALA	0	0.090	0.037	41.075	-0.065	-0.065	0.000	0.000	0.000	0.000
640	B	183	LYS	1	0.945	0.982	42.059	-23.887	-23.887	0.000	0.000	0.000	0.000
641	B	184	ASN	0	-0.008	-0.022	44.233	-0.846	-0.846	0.000	0.000	0.000	0.000
642	B	185	TYR	0	0.101	0.050	36.423	-0.176	-0.176	0.000	0.000	0.000	0.000
643	B	186	GLY	0	0.048	0.027	42.519	-0.018	-0.018	0.000	0.000	0.000	0.000
644	B	187	ARG	1	0.891	0.939	44.922	-24.191	-24.191	0.000	0.000	0.000	0.000
645	B	188	ALA	0	0.001	0.002	43.727	-0.382	-0.382	0.000	0.000	0.000	0.000
646	B	189	VAL	0	0.039	0.013	41.918	-0.133	-0.133	0.000	0.000	0.000	0.000
647	B	190	TYR	0	-0.054	-0.057	44.706	-0.227	-0.227	0.000	0.000	0.000	0.000
648	B	191	GLU	-1	-0.895	-0.948	48.294	22.590	22.590	0.000	0.000	0.000	0.000
649	B	192	CYS	0	-0.046	-0.021	43.585	-0.287	-0.287	0.000	0.000	0.000	0.000
650	B	193	LEU	0	0.018	0.013	43.781	-0.185	-0.185	0.000	0.000	0.000	0.000
651	B	194	ARG	1	0.740	0.842	47.528	-22.368	-22.368	0.000	0.000	0.000	0.000
652	B	195	GLY	0	-0.019	-0.006	50.247	-0.444	-0.444	0.000	0.000	0.000	0.000
653	B	196	GLY	0	0.020	0.009	50.094	-0.217	-0.217	0.000	0.000	0.000	0.000
654	B	197	LEU	0	-0.042	-0.013	43.829	0.161	0.161	0.000	0.000	0.000	0.000
655	B	198	ASP	-1	-0.731	-0.834	43.649	25.765	25.765	0.000	0.000	0.000	0.000
656	B	199	PHE	0	0.025	0.006	39.887	0.116	0.116	0.000	0.000	0.000	0.000
657	B	200	THR	0	-0.028	-0.007	40.406	-0.188	-0.188	0.000	0.000	0.000	0.000
658	B	201	KCX	-1	-0.492	-0.771	32.251	36.051	36.051	0.000	0.000	0.000	0.000
659	B	202	ASP	-1	-0.687	-0.828	33.637	31.799	31.799	0.000	0.000	0.000	0.000
660	B	203	ASP	0	0.193	0.052	32.965	0.358	0.358	0.000	0.000	0.000	0.000
661	B	204	GLU	0	0.173	-0.028	27.343	-0.062	-0.062	0.000	0.000	0.000	0.000
662	B	476	merge:B:AS	-1	-2.300	-1.588	27.186	35.761	35.761	0.000	0.000	0.000	0.000
663	B	205	ASN	0	0.018	-0.002	27.637	-0.065	-0.065	0.000	0.000	0.000	0.000
664	B	206	VAL	0	-0.049	0.002	28.736	-0.258	-0.258	0.000	0.000	0.000	0.000
665	B	207	ASN	0	-0.044	-0.016	26.944	1.478	1.478	0.000	0.000	0.000	0.000
666	B	208	SER	0	0.048	0.008	30.489	-1.867	-1.867	0.000	0.000	0.000	0.000
667	B	209	GLN	0	0.009	0.000	30.095	0.324	0.324	0.000	0.000	0.000	0.000
668	B	210	PRO	0	-0.008	-0.002	32.711	-1.082	-1.082	0.000	0.000	0.000	0.000
669	B	211	PHE	0	-0.022	0.003	33.462	-1.000	-1.000	0.000	0.000	0.000	0.000
670	B	212	MET	0	-0.075	-0.023	36.275	-1.285	-1.285	0.000	0.000	0.000	0.000
671	B	213	ARG	1	0.833	0.918	32.773	-32.537	-32.537	0.000	0.000	0.000	0.000
672	B	214	TRP	0	0.054	0.009	33.529	-0.889	-0.889	0.000	0.000	0.000	0.000
673	B	215	ARG	1	0.984	0.995	35.886	-29.113	-29.113	0.000	0.000	0.000	0.000
674	B	216	ASP	-1	-0.894	-0.944	38.661	27.737	27.737	0.000	0.000	0.000	0.000
675	B	217	ARG	1	0.781	0.854	33.415	-33.780	-33.780	0.000	0.000	0.000	0.000
676	B	218	PHE	0	-0.006	-0.015	34.032	-0.633	-0.633	0.000	0.000	0.000	0.000
677	B	219	LEU	0	0.042	0.022	40.016	-0.424	-0.424	0.000	0.000	0.000	0.000
678	B	220	PHE	0	-0.021	-0.019	43.531	-0.736	-0.736	0.000	0.000	0.000	0.000
679	B	221	VAL	0	-0.004	-0.010	40.189	-0.452	-0.452	0.000	0.000	0.000	0.000
680	B	222	ALA	0	0.031	0.022	43.248	-0.299	-0.299	0.000	0.000	0.000	0.000
681	B	223	GLU	-1	-0.946	-0.971	44.768	23.621	23.621	0.000	0.000	0.000	0.000
682	B	224	ALA	0	-0.073	-0.036	45.664	-0.503	-0.503	0.000	0.000	0.000	0.000
683	B	225	ILE	0	-0.002	-0.006	42.150	-0.328	-0.328	0.000	0.000	0.000	0.000
684	B	226	TYR	0	0.037	0.035	46.708	-0.527	-0.527	0.000	0.000	0.000	0.000
685	B	227	LYS	1	0.911	0.963	49.793	-22.515	-22.515	0.000	0.000	0.000	0.000
686	B	228	ALA	0	0.011	-0.006	48.962	-0.435	-0.435	0.000	0.000	0.000	0.000
687	B	229	GLN	0	0.030	0.032	48.725	0.237	0.237	0.000	0.000	0.000	0.000
688	B	230	ALA	0	0.020	0.013	51.305	-0.353	-0.353	0.000	0.000	0.000	0.000
689	B	231	GLU	-1	-0.848	-0.904	54.430	21.542	21.542	0.000	0.000	0.000	0.000
690	B	232	THR	0	-0.021	-0.032	52.100	-0.262	-0.262	0.000	0.000	0.000	0.000
691	B	233	GLY	0	0.006	0.007	54.790	-0.270	-0.270	0.000	0.000	0.000	0.000
692	B	234	GLU	-1	-0.770	-0.855	50.674	23.503	23.503	0.000	0.000	0.000	0.000
693	B	235	VAL	0	0.048	0.025	46.110	0.100	0.100	0.000	0.000	0.000	0.000
694	B	236	LYS	1	0.841	0.944	46.001	-24.378	-24.378	0.000	0.000	0.000	0.000
695	B	237	GLY	0	0.036	0.009	42.127	0.142	0.142	0.000	0.000	0.000	0.000
696	B	238	HIS	1	0.779	0.853	37.553	-30.346	-30.346	0.000	0.000	0.000	0.000
697	B	239	TYR	0	-0.003	-0.010	34.354	-0.246	-0.246	0.000	0.000	0.000	0.000
698	B	240	LEU	0	-0.036	-0.011	35.405	0.255	0.255	0.000	0.000	0.000	0.000
699	B	241	ASN	0	0.005	-0.018	29.073	1.199	1.199	0.000	0.000	0.000	0.000
700	B	242	ALA	0	-0.021	-0.005	29.773	-0.528	-0.528	0.000	0.000	0.000	0.000
701	B	243	THR	0	0.010	0.013	24.447	1.224	1.224	0.000	0.000	0.000	0.000
702	B	244	ALA	0	-0.007	-0.004	25.207	-1.357	-1.357	0.000	0.000	0.000	0.000
703	B	245	GLY	0	0.034	0.014	22.882	1.675	1.675	0.000	0.000	0.000	0.000
704	B	246	THR	0	0.028	0.022	21.972	1.633	1.633	0.000	0.000	0.000	0.000
705	B	248	GLU	-1	-0.815	-0.892	24.814	43.781	43.781	0.000	0.000	0.000	0.000
706	B	249	GLU	-1	-0.843	-0.913	27.321	35.058	35.058	0.000	0.000	0.000	0.000
707	B	250	MET	0	-0.028	0.006	25.711	-0.935	-0.935	0.000	0.000	0.000	0.000
708	B	251	MET	0	0.001	-0.003	27.465	-1.669	-1.669	0.000	0.000	0.000	0.000
709	B	252	LYS	1	0.856	0.921	30.502	-36.698	-36.698	0.000	0.000	0.000	0.000
710	B	253	ARG	1	0.723	0.845	29.563	-39.047	-39.047	0.000	0.000	0.000	0.000
711	B	254	ALA	0	0.054	0.031	31.875	-1.010	-1.010	0.000	0.000	0.000	0.000
712	B	255	VAL	0	-0.013	-0.010	33.803	-1.016	-1.016	0.000	0.000	0.000	0.000
713	B	256	SMC	0	-0.059	-0.009	36.350	-0.948	-0.948	0.000	0.000	0.000	0.000
714	B	257	ALA	0	0.051	0.013	36.658	-0.860	-0.860	0.000	0.000	0.000	0.000
715	B	258	LYS	1	0.905	0.937	37.991	-30.614	-30.614	0.000	0.000	0.000	0.000
716	B	259	GLU	-1	-1.015	-0.999	39.727	27.188	27.188	0.000	0.000	0.000	0.000
717	B	260	LEU	0	-0.071	-0.046	40.755	-0.702	-0.702	0.000	0.000	0.000	0.000
718	B	261	GLY	0	-0.001	0.019	42.828	-0.589	-0.589	0.000	0.000	0.000	0.000
719	B	262	VAL	0	-0.067	-0.029	39.457	-0.323	-0.323	0.000	0.000	0.000	0.000
720	B	263	PRO	0	0.021	0.012	40.699	0.553	0.553	0.000	0.000	0.000	0.000
721	B	264	ILE	0	-0.048	-0.025	36.097	0.434	0.434	0.000	0.000	0.000	0.000
722	B	265	ILE	0	-0.007	0.011	31.912	-0.305	-0.305	0.000	0.000	0.000	0.000
723	B	266	MET	0	-0.046	-0.005	29.962	-0.348	-0.348	0.000	0.000	0.000	0.000
724	B	267	HIS	0	-0.022	-0.026	22.917	0.258	0.258	0.000	0.000	0.000	0.000
725	B	268	ASP	-1	-0.779	-0.904	24.020	41.793	41.793	0.000	0.000	0.000	0.000
726	B	269	TYR	0	-0.044	-0.027	21.376	1.601	1.601	0.000	0.000	0.000	0.000
727	B	270	LEU	0	-0.028	0.002	17.751	2.156	2.156	0.000	0.000	0.000	0.000
728	B	271	THR	0	-0.037	-0.024	17.830	2.464	2.464	0.000	0.000	0.000	0.000
729	B	272	GLY	0	0.020	0.021	19.174	0.909	0.909	0.000	0.000	0.000	0.000
730	B	273	GLY	0	-0.002	-0.011	17.808	2.201	2.201	0.000	0.000	0.000	0.000
731	B	274	PHE	0	0.057	0.003	16.309	-3.299	-3.299	0.000	0.000	0.000	0.000
732	B	275	THR	0	-0.015	0.022	17.186	-1.392	-1.392	0.000	0.000	0.000	0.000
733	B	276	ALA	0	0.049	0.006	19.477	-2.203	-2.203	0.000	0.000	0.000	0.000
734	B	277	ASN	0	0.031	0.009	21.772	-3.134	-3.134	0.000	0.000	0.000	0.000
735	B	278	THR	0	0.004	0.013	21.412	-2.089	-2.089	0.000	0.000	0.000	0.000
736	B	279	SER	0	-0.019	-0.019	23.853	-0.688	-0.688	0.000	0.000	0.000	0.000
737	B	280	LEU	0	0.007	0.001	25.654	-1.846	-1.846	0.000	0.000	0.000	0.000
738	B	281	ALA	0	0.029	0.015	27.291	-1.817	-1.817	0.000	0.000	0.000	0.000
739	B	282	ILE	0	0.010	0.005	26.060	-1.289	-1.289	0.000	0.000	0.000	0.000
740	B	283	TYR	0	0.046	0.029	29.829	-1.592	-1.592	0.000	0.000	0.000	0.000
741	B	284	CYS	0	-0.049	-0.023	31.728	-1.428	-1.428	0.000	0.000	0.000	0.000
742	B	285	ARG	1	0.849	0.909	32.814	-36.321	-36.321	0.000	0.000	0.000	0.000
743	B	286	ASP	-1	-0.955	-0.970	32.919	34.325	34.325	0.000	0.000	0.000	0.000
744	B	287	ASN	0	-0.119	-0.063	35.219	-1.906	-1.906	0.000	0.000	0.000	0.000
745	B	288	GLY	0	0.002	0.026	37.733	-0.730	-0.730	0.000	0.000	0.000	0.000
746	B	289	LEU	0	-0.030	-0.014	35.280	-0.597	-0.597	0.000	0.000	0.000	0.000
747	B	290	LEU	0	-0.011	-0.004	35.826	0.637	0.637	0.000	0.000	0.000	0.000
748	B	291	LEU	0	0.002	-0.010	28.634	0.049	0.049	0.000	0.000	0.000	0.000
749	B	292	HIS	0	-0.001	-0.015	31.463	-0.125	-0.125	0.000	0.000	0.000	0.000
750	B	293	ILE	0	0.015	0.007	25.838	0.656	0.656	0.000	0.000	0.000	0.000
751	B	294	HIS	0	0.732	0.632	27.016	0.654	0.654	0.000	0.000	0.000	0.000
752	B	295	ARG	1	0.773	0.856	24.119	-39.571	-39.571	0.000	0.000	0.000	0.000
753	B	296	ALA	0	0.029	0.010	23.345	1.326	1.326	0.000	0.000	0.000	0.000
754	B	297	MET	0	-0.002	-0.013	14.850	1.490	1.490	0.000	0.000	0.000	0.000
755	B	298	HIS	1	0.831	0.890	19.396	-44.056	-44.056	0.000	0.000	0.000	0.000
756	B	299	ALA	0	0.009	0.021	20.198	1.458	1.458	0.000	0.000	0.000	0.000
757	B	300	VAL	0	-0.035	-0.005	16.021	0.230	0.230	0.000	0.000	0.000	0.000
758	B	301	ILE	0	-0.024	-0.014	14.996	2.757	2.757	0.000	0.000	0.000	0.000
759	B	302	ASP	-1	-0.770	-0.880	17.334	49.873	49.873	0.000	0.000	0.000	0.000
760	B	303	ARG	1	0.790	0.905	20.549	-43.966	-43.966	0.000	0.000	0.000	0.000
761	B	304	GLN	0	-0.039	-0.030	19.935	-2.410	-2.410	0.000	0.000	0.000	0.000
762	B	305	ARG	1	0.852	0.923	21.259	-41.947	-41.947	0.000	0.000	0.000	0.000
763	B	306	ASN	0	-0.010	-0.017	19.215	-0.083	-0.083	0.000	0.000	0.000	0.000
764	B	307	HIS	0	-0.013	-0.020	12.003	-0.617	-0.617	0.000	0.000	0.000	0.000
765	B	308	GLY	0	0.041	0.037	15.176	-1.968	-1.968	0.000	0.000	0.000	0.000
766	B	309	ILE	0	-0.028	-0.020	13.898	1.900	1.900	0.000	0.000	0.000	0.000
767	B	310	HIS	0	0.012	0.008	17.873	-1.099	-1.099	0.000	0.000	0.000	0.000
768	B	311	PHE	0	0.065	0.023	21.446	0.682	0.682	0.000	0.000	0.000	0.000
769	B	312	ARG	1	0.912	0.946	23.381	-46.025	-46.025	0.000	0.000	0.000	0.000
770	B	313	VAL	0	-0.017	0.006	18.259	-0.579	-0.579	0.000	0.000	0.000	0.000
771	B	314	LEU	0	-0.022	-0.012	17.767	0.600	0.600	0.000	0.000	0.000	0.000
772	B	315	ALA	0	0.017	0.017	21.191	-0.534	-0.534	0.000	0.000	0.000	0.000
773	B	316	LYS	1	0.835	0.916	22.812	-46.970	-46.970	0.000	0.000	0.000	0.000
774	B	317	ALA	0	0.017	0.008	19.574	-0.488	-0.488	0.000	0.000	0.000	0.000
775	B	318	LEU	0	0.002	0.005	21.485	-0.116	-0.116	0.000	0.000	0.000	0.000
776	B	319	ARG	1	0.768	0.902	23.982	-38.783	-38.783	0.000	0.000	0.000	0.000
777	B	320	MET	0	-0.013	-0.009	20.939	-0.752	-0.752	0.000	0.000	0.000	0.000
778	B	321	SER	0	-0.058	-0.031	21.751	-0.713	-0.713	0.000	0.000	0.000	0.000
779	B	322	GLY	0	0.034	0.002	23.689	-0.818	-0.818	0.000	0.000	0.000	0.000
780	B	323	GLY	0	0.009	-0.024	27.253	0.688	0.688	0.000	0.000	0.000	0.000
781	B	324	ASP	-1	-0.715	-0.849	29.604	34.066	34.066	0.000	0.000	0.000	0.000
782	B	325	HIS	1	0.730	0.851	32.251	-33.645	-33.645	0.000	0.000	0.000	0.000
783	B	326	LEU	0	0.031	0.010	25.928	1.160	1.160	0.000	0.000	0.000	0.000
784	B	327	HIS	0	-0.008	-0.004	28.798	-1.194	-1.194	0.000	0.000	0.000	0.000
785	B	328	SER	0	0.014	-0.003	28.891	1.195	1.195	0.000	0.000	0.000	0.000
786	B	329	GLY	0	0.027	0.016	30.975	0.347	0.347	0.000	0.000	0.000	0.000
787	B	330	THR	0	0.027	0.010	31.880	-0.756	-0.756	0.000	0.000	0.000	0.000
788	B	331	VAL	0	0.036	0.048	34.218	-1.015	-1.015	0.000	0.000	0.000	0.000
789	B	332	VAL	0	-0.031	-0.031	35.689	0.035	0.035	0.000	0.000	0.000	0.000
790	B	333	GLY	0	0.006	0.014	36.663	-0.616	-0.616	0.000	0.000	0.000	0.000
791	B	334	LYS	1	0.764	0.862	32.875	-33.577	-33.577	0.000	0.000	0.000	0.000
792	B	335	LEU	0	-0.014	-0.002	28.815	0.577	0.577	0.000	0.000	0.000	0.000
793	B	336	GLU	-1	-0.793	-0.897	28.065	39.753	39.753	0.000	0.000	0.000	0.000
794	B	337	GLY	0	0.035	0.004	29.710	0.924	0.924	0.000	0.000	0.000	0.000
795	B	338	GLU	-1	-0.832	-0.909	31.120	33.941	33.941	0.000	0.000	0.000	0.000
796	B	339	ARG	1	0.889	0.941	33.154	-29.117	-29.117	0.000	0.000	0.000	0.000
797	B	340	GLU	-1	-0.869	-0.943	34.820	32.027	32.027	0.000	0.000	0.000	0.000
798	B	341	VAL	0	-0.054	-0.027	28.589	0.646	0.646	0.000	0.000	0.000	0.000
799	B	342	THR	0	-0.057	-0.049	30.948	0.864	0.864	0.000	0.000	0.000	0.000
800	B	343	LEU	0	-0.014	-0.010	32.461	0.090	0.090	0.000	0.000	0.000	0.000
801	B	344	GLY	0	0.045	0.036	31.845	-0.188	-0.188	0.000	0.000	0.000	0.000
802	B	345	PHE	0	-0.024	-0.020	28.115	0.529	0.529	0.000	0.000	0.000	0.000
803	B	346	VAL	0	0.002	-0.004	30.001	0.349	0.349	0.000	0.000	0.000	0.000
804	B	347	ASP	-1	-0.856	-0.921	32.981	32.978	32.978	0.000	0.000	0.000	0.000
805	B	348	LEU	0	-0.086	-0.042	27.129	0.459	0.459	0.000	0.000	0.000	0.000
806	B	349	MET	0	-0.069	-0.010	29.053	0.863	0.863	0.000	0.000	0.000	0.000
807	B	350	ARG	1	0.842	0.913	30.831	-31.967	-31.967	0.000	0.000	0.000	0.000
808	B	351	ASP	-1	-0.876	-0.926	34.204	31.899	31.899	0.000	0.000	0.000	0.000
809	B	352	ASP	-1	-0.891	-0.949	33.540	34.888	34.888	0.000	0.000	0.000	0.000
810	B	353	TYR	0	0.003	0.001	33.729	1.261	1.261	0.000	0.000	0.000	0.000
811	B	354	VAL	0	0.007	0.010	31.797	-0.660	-0.660	0.000	0.000	0.000	0.000
812	B	355	GLU	-1	-0.911	-0.959	32.370	34.246	34.246	0.000	0.000	0.000	0.000
813	B	356	LYS	1	0.926	0.955	30.009	-39.206	-39.206	0.000	0.000	0.000	0.000
814	B	357	ASP	-1	-0.790	-0.886	31.785	32.951	32.951	0.000	0.000	0.000	0.000
815	B	358	ARG	1	0.865	0.924	28.208	-42.007	-42.007	0.000	0.000	0.000	0.000
816	B	359	SER	0	-0.105	-0.050	31.818	0.496	0.496	0.000	0.000	0.000	0.000
817	B	360	ARG	1	1.007	1.002	32.964	-32.745	-32.745	0.000	0.000	0.000	0.000
818	B	361	GLY	0	-0.039	-0.032	28.933	0.806	0.806	0.000	0.000	0.000	0.000
819	B	362	ILE	0	-0.027	0.011	27.465	2.046	2.046	0.000	0.000	0.000	0.000
820	B	363	TYR	0	-0.055	-0.045	25.314	-0.941	-0.941	0.000	0.000	0.000	0.000
821	B	364	PHE	0	-0.056	-0.035	22.368	-0.262	-0.262	0.000	0.000	0.000	0.000
822	B	365	THR	0	0.038	0.024	27.929	-0.191	-0.191	0.000	0.000	0.000	0.000
823	B	366	GLN	0	-0.067	-0.031	26.217	2.833	2.833	0.000	0.000	0.000	0.000
824	B	367	ASP	-1	-0.835	-0.918	29.609	34.823	34.823	0.000	0.000	0.000	0.000
825	B	368	TRP	0	-0.034	-0.036	25.529	2.098	2.098	0.000	0.000	0.000	0.000
826	B	369	SMC	0	-0.053	-0.019	31.011	0.168	0.168	0.000	0.000	0.000	0.000
827	B	370	SER	0	-0.023	-0.028	33.421	-0.218	-0.218	0.000	0.000	0.000	0.000
828	B	371	MET	0	-0.064	0.003	26.816	-0.078	-0.078	0.000	0.000	0.000	0.000
829	B	372	PRO	0	0.020	0.017	32.315	-0.208	-0.208	0.000	0.000	0.000	0.000
830	B	373	GLY	0	0.046	0.034	32.299	1.198	1.198	0.000	0.000	0.000	0.000
831	B	374	VAL	0	-0.018	-0.022	29.375	-0.491	-0.491	0.000	0.000	0.000	0.000
832	B	375	MET	0	0.003	-0.001	32.766	-0.341	-0.341	0.000	0.000	0.000	0.000
833	B	376	PRO	0	-0.006	0.002	33.074	0.796	0.796	0.000	0.000	0.000	0.000
834	B	377	VAL	0	-0.017	-0.013	32.988	-1.143	-1.143	0.000	0.000	0.000	0.000
835	B	378	ALA	0	0.029	0.031	33.340	0.993	0.993	0.000	0.000	0.000	0.000
836	B	379	SER	0	-0.012	-0.036	33.539	-1.279	-1.279	0.000	0.000	0.000	0.000
837	B	380	GLY	0	0.080	0.037	33.698	0.882	0.882	0.000	0.000	0.000	0.000
838	B	381	GLY	0	-0.023	-0.035	35.102	0.081	0.081	0.000	0.000	0.000	0.000
839	B	382	ILE	0	-0.062	-0.012	37.838	-0.362	-0.362	0.000	0.000	0.000	0.000
840	B	383	HIS	0	0.014	-0.027	40.372	-0.525	-0.525	0.000	0.000	0.000	0.000
841	B	384	VAL	0	0.057	0.017	44.070	0.060	0.060	0.000	0.000	0.000	0.000
842	B	385	TRP	0	-0.066	-0.034	47.059	-0.383	-0.383	0.000	0.000	0.000	0.000
843	B	386	HIS	0	0.036	0.029	41.683	-0.121	-0.121	0.000	0.000	0.000	0.000
844	B	387	MET	0	-0.041	0.008	44.202	0.494	0.494	0.000	0.000	0.000	0.000
845	B	388	PRO	0	0.015	-0.001	45.528	0.228	0.228	0.000	0.000	0.000	0.000
846	B	389	ALA	0	0.025	0.016	42.847	0.088	0.088	0.000	0.000	0.000	0.000
847	B	390	LEU	0	-0.002	0.002	39.283	0.544	0.544	0.000	0.000	0.000	0.000
848	B	391	VAL	0	0.013	-0.001	41.949	0.393	0.393	0.000	0.000	0.000	0.000
849	B	392	GLU	-1	-0.897	-0.941	43.897	28.038	28.038	0.000	0.000	0.000	0.000
850	B	393	ILE	0	-0.043	-0.012	37.847	0.277	0.277	0.000	0.000	0.000	0.000
851	B	394	PHE	0	-0.009	-0.008	35.006	0.475	0.475	0.000	0.000	0.000	0.000
852	B	395	GLY	0	0.027	0.035	40.076	0.232	0.232	0.000	0.000	0.000	0.000
853	B	396	ASP	-1	-0.829	-0.924	42.848	26.077	26.077	0.000	0.000	0.000	0.000
854	B	397	ASP	-1	-0.909	-0.939	39.556	28.931	28.931	0.000	0.000	0.000	0.000
855	B	398	ALA	0	0.045	0.009	38.100	0.990	0.990	0.000	0.000	0.000	0.000
856	B	399	CYS	0	-0.064	-0.013	37.389	-0.987	-0.987	0.000	0.000	0.000	0.000
857	B	400	LEU	0	0.004	0.002	37.779	0.775	0.775	0.000	0.000	0.000	0.000
858	B	401	GLN	0	0.043	0.004	34.441	-0.832	-0.832	0.000	0.000	0.000	0.000
859	B	402	PHE	0	0.041	0.010	38.885	0.295	0.295	0.000	0.000	0.000	0.000
860	B	403	GLY	0	0.073	0.042	38.893	-0.560	-0.560	0.000	0.000	0.000	0.000
861	B	404	GLY	0	0.036	0.001	39.408	-0.855	-0.855	0.000	0.000	0.000	0.000
862	B	405	GLY	0	-0.035	-0.019	41.276	-0.704	-0.704	0.000	0.000	0.000	0.000
863	B	406	THR	0	-0.045	-0.038	43.341	-0.813	-0.813	0.000	0.000	0.000	0.000
864	B	407	LEU	0	-0.032	-0.032	41.477	-0.673	-0.673	0.000	0.000	0.000	0.000
865	B	408	GLY	0	0.031	0.013	44.824	-0.218	-0.218	0.000	0.000	0.000	0.000
866	B	409	HIS	0	-0.031	-0.003	45.861	-0.320	-0.320	0.000	0.000	0.000	0.000
867	B	410	PRO	0	-0.013	-0.016	49.145	-0.045	-0.045	0.000	0.000	0.000	0.000
868	B	411	TRP	0	-0.030	-0.037	52.096	-0.323	-0.323	0.000	0.000	0.000	0.000
869	B	412	GLY	0	0.030	0.032	50.286	-0.244	-0.244	0.000	0.000	0.000	0.000
870	B	413	ASN	0	0.018	-0.006	45.888	0.009	0.009	0.000	0.000	0.000	0.000
871	B	414	ALA	0	0.050	0.050	48.876	0.181	0.181	0.000	0.000	0.000	0.000
872	B	415	PRO	0	0.011	-0.015	51.498	-0.012	-0.012	0.000	0.000	0.000	0.000
873	B	416	GLY	0	0.034	0.017	48.755	0.001	0.001	0.000	0.000	0.000	0.000
874	B	417	ALA	0	-0.026	-0.004	47.645	0.253	0.253	0.000	0.000	0.000	0.000
875	B	418	ALA	0	0.018	0.023	48.630	0.094	0.094	0.000	0.000	0.000	0.000
876	B	419	ALA	0	-0.051	-0.013	50.386	-0.119	-0.119	0.000	0.000	0.000	0.000
877	B	420	ASN	0	0.010	-0.007	45.670	-0.046	-0.046	0.000	0.000	0.000	0.000
878	B	421	ARG	1	0.757	0.861	48.252	-23.754	-23.754	0.000	0.000	0.000	0.000
879	B	422	VAL	0	0.008	-0.001	49.875	-0.139	-0.139	0.000	0.000	0.000	0.000
880	B	423	ALA	0	-0.015	-0.006	49.184	-0.132	-0.132	0.000	0.000	0.000	0.000
881	B	424	LEU	0	0.034	0.007	45.612	-0.047	-0.047	0.000	0.000	0.000	0.000
882	B	425	GLU	-1	-0.742	-0.872	48.887	22.880	22.880	0.000	0.000	0.000	0.000
883	B	426	ALA	0	0.013	0.007	52.050	-0.245	-0.245	0.000	0.000	0.000	0.000
884	B	427	CYS	0	-0.055	-0.024	49.368	-0.149	-0.149	0.000	0.000	0.000	0.000
885	B	428	THR	0	-0.007	-0.004	49.369	0.142	0.142	0.000	0.000	0.000	0.000
886	B	429	GLN	0	0.006	0.000	51.096	-0.050	-0.050	0.000	0.000	0.000	0.000
887	B	430	ALA	0	-0.012	-0.009	53.752	-0.205	-0.205	0.000	0.000	0.000	0.000
888	B	431	ARG	1	0.824	0.899	47.231	-25.277	-25.277	0.000	0.000	0.000	0.000
889	B	432	ASN	0	-0.024	-0.018	52.222	0.359	0.359	0.000	0.000	0.000	0.000
890	B	433	GLU	-1	-0.956	-0.986	54.445	20.582	20.582	0.000	0.000	0.000	0.000
891	B	434	GLY	0	-0.033	-0.004	55.574	-0.365	-0.365	0.000	0.000	0.000	0.000
892	B	435	ARG	1	0.876	0.951	55.134	-21.428	-21.428	0.000	0.000	0.000	0.000
893	B	436	ASP	-1	-0.844	-0.914	51.145	24.757	24.757	0.000	0.000	0.000	0.000
894	B	437	LEU	0	-0.010	-0.021	48.206	-0.152	-0.152	0.000	0.000	0.000	0.000
895	B	438	ALA	0	0.016	0.019	47.545	0.078	0.078	0.000	0.000	0.000	0.000
896	B	439	ARG	1	0.897	0.939	48.757	-23.774	-23.774	0.000	0.000	0.000	0.000
897	B	440	GLU	-1	-0.856	-0.938	52.188	21.519	21.519	0.000	0.000	0.000	0.000
898	B	441	GLY	0	0.053	0.025	50.514	-0.232	-0.232	0.000	0.000	0.000	0.000
899	B	442	GLY	0	-0.027	-0.023	51.576	-0.113	-0.113	0.000	0.000	0.000	0.000
900	B	443	ASP	-1	-0.857	-0.925	52.937	21.214	21.214	0.000	0.000	0.000	0.000
901	B	444	VAL	0	-0.031	0.000	53.231	-0.397	-0.397	0.000	0.000	0.000	0.000
902	B	445	ILE	0	0.031	0.012	50.055	-0.267	-0.267	0.000	0.000	0.000	0.000
903	B	446	ARG	1	0.893	0.928	53.663	-22.335	-22.335	0.000	0.000	0.000	0.000
904	B	447	SER	0	-0.066	-0.030	56.712	-0.467	-0.467	0.000	0.000	0.000	0.000
905	B	448	ALA	0	0.032	0.019	54.970	-0.319	-0.319	0.000	0.000	0.000	0.000
906	B	449	CYS	0	-0.139	-0.081	50.544	0.272	0.272	0.000	0.000	0.000	0.000
907	B	450	LYS	1	0.907	0.951	57.021	-19.951	-19.951	0.000	0.000	0.000	0.000
908	B	451	TRP	0	-0.025	0.004	57.698	-0.274	-0.274	0.000	0.000	0.000	0.000
909	B	452	SER	0	0.021	0.026	56.707	-0.078	-0.078	0.000	0.000	0.000	0.000
910	B	453	PRO	0	0.027	0.002	57.725	0.260	0.260	0.000	0.000	0.000	0.000
911	B	454	GLU	-1	-0.801	-0.904	54.288	21.111	21.111	0.000	0.000	0.000	0.000
912	B	455	LEU	0	0.028	0.013	51.676	0.442	0.442	0.000	0.000	0.000	0.000
913	B	456	ALA	0	0.001	-0.003	53.592	0.321	0.321	0.000	0.000	0.000	0.000
914	B	457	ALA	0	-0.025	-0.005	54.643	0.120	0.120	0.000	0.000	0.000	0.000
915	B	458	ALA	0	0.000	0.001	49.596	0.260	0.260	0.000	0.000	0.000	0.000
916	B	460	GLU	-1	-0.896	-0.956	52.000	21.839	21.839	0.000	0.000	0.000	0.000
917	B	461	VAL	0	-0.047	-0.010	48.485	0.120	0.120	0.000	0.000	0.000	0.000
918	B	462	TRP	0	-0.018	-0.022	45.405	0.236	0.236	0.000	0.000	0.000	0.000
919	B	463	LYS	1	0.923	0.982	47.717	-21.595	-21.595	0.000	0.000	0.000	0.000
920	B	464	GLU	-1	-0.915	-0.964	48.832	23.619	23.619	0.000	0.000	0.000	0.000
921	B	465	ILE	0	-0.097	-0.028	42.760	0.445	0.445	0.000	0.000	0.000	0.000
922	B	466	LYS	1	0.974	0.983	42.679	-25.911	-25.911	0.000	0.000	0.000	0.000
923	B	467	PHE	0	-0.004	-0.001	37.101	0.277	0.277	0.000	0.000	0.000	0.000
924	B	468	GLU	-1	-0.957	-0.976	38.421	28.414	28.414	0.000	0.000	0.000	0.000
925	B	469	PHE	0	0.033	0.007	34.478	-0.154	-0.154	0.000	0.000	0.000	0.000
926	B	470	ASP	-1	-0.830	-0.907	32.492	36.105	36.105	0.000	0.000	0.000	0.000
927	B	471	THR	0	-0.031	-0.007	30.364	0.429	0.429	0.000	0.000	0.000	0.000
928	B	472	ILE	0	-0.024	-0.017	25.342	-0.189	-0.189	0.000	0.000	0.000	0.000
929	B	473	ASP	-1	-0.813	-0.886	25.514	46.190	46.190	0.000	0.000	0.000	0.000
930	B	474	LYS	1	0.842	0.928	27.152	-37.986	-37.986	0.000	0.000	0.000	0.000
931	B	475	LEU	0	0.034	0.028	28.038	1.626	1.626	0.000	0.000	0.000	0.000
932	C	1	MET	0	0.001	0.005	55.689	0.094	0.094	0.000	0.000	0.000	0.000
933	C	2	MET	0	-0.069	-0.026	58.603	-0.421	-0.421	0.000	0.000	0.000	0.000
934	C	3	VAL	0	0.018	-0.005	57.875	0.392	0.392	0.000	0.000	0.000	0.000
935	C	4	TRP	0	0.067	0.038	55.500	-0.410	-0.410	0.000	0.000	0.000	0.000
936	C	5	THR	0	0.005	-0.004	57.759	0.139	0.139	0.000	0.000	0.000	0.000
937	C	6	PRO	0	0.024	0.023	57.604	0.149	0.149	0.000	0.000	0.000	0.000
938	C	7	VAL	0	-0.061	-0.037	58.908	-0.026	-0.026	0.000	0.000	0.000	0.000
939	C	8	ASN	0	-0.019	-0.018	62.405	0.069	0.069	0.000	0.000	0.000	0.000
940	C	9	ASN	0	0.034	0.007	58.690	-0.360	-0.360	0.000	0.000	0.000	0.000
941	C	10	LYS	1	0.899	0.973	58.020	-20.366	-20.366	0.000	0.000	0.000	0.000
942	C	11	MET	0	-0.089	-0.029	55.007	-0.326	-0.326	0.000	0.000	0.000	0.000
943	C	12	PHE	0	-0.025	-0.038	56.241	-0.131	-0.131	0.000	0.000	0.000	0.000
944	C	13	GLU	-1	-0.727	-0.831	50.206	24.441	24.441	0.000	0.000	0.000	0.000
945	C	14	THR	0	-0.020	0.040	51.224	-0.211	-0.211	0.000	0.000	0.000	0.000
946	C	15	PHE	0	-0.005	-0.007	53.232	-0.393	-0.393	0.000	0.000	0.000	0.000
947	C	16	SER	0	-0.115	-0.107	55.161	-0.373	-0.373	0.000	0.000	0.000	0.000
948	C	17	TYR	0	0.007	-0.020	53.142	-0.375	-0.375	0.000	0.000	0.000	0.000
949	C	18	LEU	0	-0.036	-0.012	55.318	-0.124	-0.124	0.000	0.000	0.000	0.000
950	C	19	PRO	0	-0.060	-0.038	58.402	-0.247	-0.247	0.000	0.000	0.000	0.000
951	C	20	PRO	0	-0.040	-0.026	61.677	0.159	0.159	0.000	0.000	0.000	0.000
952	C	21	LEU	0	0.024	0.027	59.420	-0.121	-0.121	0.000	0.000	0.000	0.000
953	C	22	THR	0	0.002	-0.005	63.517	-0.237	-0.237	0.000	0.000	0.000	0.000
954	C	23	ASP	-1	-0.880	-0.950	65.643	18.077	18.077	0.000	0.000	0.000	0.000
955	C	24	GLU	-1	-0.981	-0.990	65.963	18.701	18.701	0.000	0.000	0.000	0.000
956	C	25	GLN	0	0.056	0.034	62.011	0.078	0.078	0.000	0.000	0.000	0.000
957	C	26	ILE	0	-0.008	-0.007	61.731	0.387	0.387	0.000	0.000	0.000	0.000
958	C	27	ALA	0	-0.019	-0.019	62.294	0.232	0.232	0.000	0.000	0.000	0.000
959	C	28	ALA	0	0.070	0.042	60.759	0.173	0.173	0.000	0.000	0.000	0.000
960	C	29	GLN	0	0.020	0.011	56.280	0.734	0.734	0.000	0.000	0.000	0.000
961	C	30	VAL	0	-0.041	-0.019	58.031	0.307	0.307	0.000	0.000	0.000	0.000
962	C	31	ASP	-1	-0.895	-0.951	59.743	19.987	19.987	0.000	0.000	0.000	0.000
963	C	32	TYR	0	-0.006	0.007	50.095	0.258	0.258	0.000	0.000	0.000	0.000
964	C	33	ILE	0	-0.009	-0.013	55.212	0.352	0.352	0.000	0.000	0.000	0.000
965	C	34	VAL	0	-0.041	-0.023	55.754	0.210	0.210	0.000	0.000	0.000	0.000
966	C	35	ALA	0	-0.053	-0.026	56.017	0.115	0.115	0.000	0.000	0.000	0.000
967	C	36	ASN	0	-0.061	-0.033	51.062	0.616	0.616	0.000	0.000	0.000	0.000
968	C	37	GLY	0	-0.054	-0.007	52.094	0.365	0.365	0.000	0.000	0.000	0.000
969	C	38	TRP	0	-0.003	0.003	48.792	-0.040	-0.040	0.000	0.000	0.000	0.000
970	C	39	ILE	0	-0.040	-0.032	52.914	-0.505	-0.505	0.000	0.000	0.000	0.000
971	C	40	PRO	0	0.033	0.035	55.749	0.165	0.165	0.000	0.000	0.000	0.000
972	C	41	CYS	0	-0.018	-0.009	57.391	-0.198	-0.198	0.000	0.000	0.000	0.000
973	C	42	LEU	0	0.002	0.019	59.177	0.055	0.055	0.000	0.000	0.000	0.000
974	C	43	GLU	-1	-0.829	-0.896	56.358	22.069	22.069	0.000	0.000	0.000	0.000
975	C	44	PHE	0	-0.005	-0.013	60.817	-0.126	-0.126	0.000	0.000	0.000	0.000
976	C	45	ALA	0	0.041	0.015	61.408	0.143	0.143	0.000	0.000	0.000	0.000
977	C	46	GLU	-1	-0.929	-0.962	63.496	18.035	18.035	0.000	0.000	0.000	0.000
978	C	47	HIS	0	-0.025	-0.016	62.732	-0.075	-0.075	0.000	0.000	0.000	0.000
979	C	48	SER	0	-0.008	-0.003	58.385	0.301	0.301	0.000	0.000	0.000	0.000
980	C	49	ASN	0	-0.033	-0.014	57.038	-0.178	-0.178	0.000	0.000	0.000	0.000
981	C	50	PRO	0	0.000	0.008	52.160	0.129	0.129	0.000	0.000	0.000	0.000
982	C	51	GLU	-1	-0.897	-0.966	51.949	23.018	23.018	0.000	0.000	0.000	0.000
983	C	52	GLU	-1	-0.999	-0.991	52.887	21.599	21.599	0.000	0.000	0.000	0.000
984	C	53	PHE	0	-0.031	-0.006	47.788	-0.111	-0.111	0.000	0.000	0.000	0.000
985	C	54	TYR	0	-0.012	-0.002	50.778	0.019	0.019	0.000	0.000	0.000	0.000
986	C	55	TRP	0	0.014	-0.001	55.533	-0.403	-0.403	0.000	0.000	0.000	0.000
987	C	56	THR	0	-0.028	-0.009	58.765	0.109	0.109	0.000	0.000	0.000	0.000
988	C	57	MET	0	0.032	0.025	57.492	-0.087	-0.087	0.000	0.000	0.000	0.000
989	C	58	TRP	0	-0.032	-0.031	61.238	-0.475	-0.475	0.000	0.000	0.000	0.000
990	C	59	LYS	1	0.802	0.904	63.566	-18.023	-18.023	0.000	0.000	0.000	0.000
991	C	60	LEU	0	0.027	0.003	60.535	0.179	0.179	0.000	0.000	0.000	0.000
992	C	61	PRO	0	0.024	0.000	56.953	-0.178	-0.178	0.000	0.000	0.000	0.000
993	C	62	MET	0	-0.021	-0.002	59.365	-0.166	-0.166	0.000	0.000	0.000	0.000
994	C	63	PHE	0	0.040	0.004	55.203	0.164	0.164	0.000	0.000	0.000	0.000
995	C	64	GLY	0	-0.014	-0.006	58.338	-0.324	-0.324	0.000	0.000	0.000	0.000
996	C	65	CYS	0	-0.092	-0.023	59.992	-0.339	-0.339	0.000	0.000	0.000	0.000
997	C	66	ARG	1	0.994	0.990	58.969	-20.345	-20.345	0.000	0.000	0.000	0.000
998	C	67	ASP	-1	-0.893	-0.954	61.811	18.387	18.387	0.000	0.000	0.000	0.000
999	C	68	PRO	0	0.137	0.058	63.425	-0.075	-0.075	0.000	0.000	0.000	0.000
1000	C	69	MET	0	0.013	-0.001	64.620	-0.080	-0.080	0.000	0.000	0.000	0.000
1001	C	70	GLN	0	-0.059	-0.039	65.977	-0.164	-0.164	0.000	0.000	0.000	0.000
1002	C	71	VAL	0	0.041	0.023	61.852	-0.115	-0.115	0.000	0.000	0.000	0.000
1003	C	72	LEU	0	0.045	0.019	64.961	-0.097	-0.097	0.000	0.000	0.000	0.000
1004	C	73	ARG	1	0.926	0.958	67.335	-17.870	-17.870	0.000	0.000	0.000	0.000
1005	C	74	GLU	-1	-0.826	-0.906	65.985	18.092	18.092	0.000	0.000	0.000	0.000
1006	C	75	ILE	0	0.043	0.033	63.688	-0.039	-0.039	0.000	0.000	0.000	0.000
1007	C	76	VAL	0	-0.022	0.008	67.214	-0.158	-0.158	0.000	0.000	0.000	0.000
1008	C	77	ALA	0	-0.042	-0.025	70.433	-0.198	-0.198	0.000	0.000	0.000	0.000
1009	C	78	CYS	0	-0.023	-0.004	66.510	-0.082	-0.082	0.000	0.000	0.000	0.000
1010	C	79	THR	0	0.021	-0.017	67.924	-0.180	-0.180	0.000	0.000	0.000	0.000
1011	C	80	LYS	1	0.903	0.963	70.136	-16.472	-16.472	0.000	0.000	0.000	0.000
1012	C	81	ALA	0	-0.068	-0.035	71.348	-0.225	-0.225	0.000	0.000	0.000	0.000
1013	C	82	PHE	0	-0.007	-0.002	69.019	-0.088	-0.088	0.000	0.000	0.000	0.000
1014	C	83	PRO	0	0.027	0.025	70.117	0.245	0.245	0.000	0.000	0.000	0.000
1015	C	84	ASP	-1	-0.969	-0.989	71.272	16.971	16.971	0.000	0.000	0.000	0.000
1016	C	85	ALA	0	-0.023	-0.008	66.426	0.141	0.141	0.000	0.000	0.000	0.000
1017	C	86	TYR	0	0.000	-0.009	62.285	-0.095	-0.095	0.000	0.000	0.000	0.000
1018	C	87	VAL	0	0.000	-0.003	63.282	0.014	0.014	0.000	0.000	0.000	0.000
1019	C	88	ARG	1	0.848	0.916	55.590	-22.021	-22.021	0.000	0.000	0.000	0.000
1020	C	89	LEU	0	-0.016	0.006	58.729	-0.183	-0.183	0.000	0.000	0.000	0.000
1021	C	90	VAL	0	0.029	0.011	54.403	0.262	0.262	0.000	0.000	0.000	0.000
1022	C	91	ALA	0	0.019	-0.003	53.668	-0.378	-0.378	0.000	0.000	0.000	0.000
1023	C	92	PHE	0	-0.021	-0.013	51.109	0.427	0.427	0.000	0.000	0.000	0.000
1024	C	93	ASP	-1	-0.773	-0.876	46.625	25.986	25.986	0.000	0.000	0.000	0.000
1025	C	94	ASN	0	-0.031	-0.048	47.989	0.368	0.368	0.000	0.000	0.000	0.000
1026	C	95	GLN	0	-0.040	-0.006	44.704	0.711	0.711	0.000	0.000	0.000	0.000
1027	C	96	LYS	1	0.967	0.986	41.545	-27.762	-27.762	0.000	0.000	0.000	0.000
1028	C	97	GLN	0	-0.052	-0.013	43.552	0.603	0.603	0.000	0.000	0.000	0.000
1029	C	98	VAL	0	0.037	0.017	44.281	0.292	0.292	0.000	0.000	0.000	0.000
1030	C	99	GLN	0	-0.026	-0.010	46.761	-0.619	-0.619	0.000	0.000	0.000	0.000
1031	C	100	ILE	0	-0.027	-0.015	46.367	0.494	0.494	0.000	0.000	0.000	0.000
1032	C	101	MET	0	-0.011	-0.013	49.106	-0.091	-0.091	0.000	0.000	0.000	0.000
1033	C	102	GLY	0	0.053	0.019	51.997	-0.129	-0.129	0.000	0.000	0.000	0.000
1034	C	103	PHE	0	-0.005	0.006	54.435	0.150	0.150	0.000	0.000	0.000	0.000
1035	C	104	LEU	0	-0.013	-0.012	57.205	-0.283	-0.283	0.000	0.000	0.000	0.000
1036	C	105	VAL	0	-0.020	-0.012	60.425	-0.068	-0.068	0.000	0.000	0.000	0.000
1037	C	106	GLN	0	-0.094	-0.053	63.765	-0.553	-0.553	0.000	0.000	0.000	0.000
1038	C	107	ARG	1	0.937	0.984	60.581	-19.587	-19.587	0.000	0.000	0.000	0.000
1039	C	108	PRO	0	0.091	0.060	65.729	-0.298	-0.298	0.000	0.000	0.000	0.000
1040	C	109	LYS	1	0.978	0.973	68.876	-17.428	-17.428	0.000	0.000	0.000	0.000
1041	C	110	THR	0	-0.029	-0.014	71.639	-0.021	-0.021	0.000	0.000	0.000	0.000
1042	C	111	ALA	0	0.013	0.026	66.385	-0.036	-0.036	0.000	0.000	0.000	0.000
1043	C	112	ARG	1	0.908	0.941	68.158	-17.276	-17.276	0.000	0.000	0.000	0.000
1044	C	113	ASP	-1	-0.905	-0.966	62.991	19.472	19.472	0.000	0.000	0.000	0.000
1045	C	114	PHE	0	0.018	0.016	62.219	0.356	0.356	0.000	0.000	0.000	0.000
1046	C	115	GLN	0	0.001	-0.001	62.557	-0.548	-0.548	0.000	0.000	0.000	0.000
1047	C	116	PRO	0	-0.019	-0.011	63.429	0.204	0.204	0.000	0.000	0.000	0.000
1048	C	117	ALA	0	0.069	0.021	62.179	0.083	0.083	0.000	0.000	0.000	0.000
1049	C	118	ASN	0	-0.028	-0.016	62.406	0.242	0.242	0.000	0.000	0.000	0.000
1050	C	119	LYS	1	0.920	0.963	64.763	-17.887	-17.887	0.000	0.000	0.000	0.000
1051	C	120	ARG	1	0.887	0.977	58.689	-20.644	-20.644	0.000	0.000	0.000	0.000
1052	C	121	SER	0	-0.021	-0.016	59.286	0.176	0.176	0.000	0.000	0.000	0.000
1053	C	122	VAL	0	-0.044	-0.001	61.227	-0.402	-0.402	0.000	0.000	0.000	0.000
1054	I	1	MET	0	0.007	0.007	18.908	0.381	0.381	0.000	0.000	0.000	0.000
1055	I	2	MET	0	-0.091	-0.037	21.201	-1.963	-1.963	0.000	0.000	0.000	0.000
1056	I	3	VAL	0	0.016	-0.005	20.856	2.310	2.310	0.000	0.000	0.000	0.000
1057	I	4	TRP	0	0.075	0.042	19.373	-1.842	-1.842	0.000	0.000	0.000	0.000
1058	I	5	THR	0	-0.002	-0.003	21.478	0.024	0.024	0.000	0.000	0.000	0.000
1059	I	6	PRO	0	0.032	0.026	23.916	0.667	0.667	0.000	0.000	0.000	0.000
1060	I	7	VAL	0	-0.045	-0.027	24.803	-0.944	-0.944	0.000	0.000	0.000	0.000
1061	I	8	ASN	0	-0.047	-0.022	28.295	0.365	0.365	0.000	0.000	0.000	0.000
1062	I	9	ASN	0	0.016	-0.016	23.179	-1.546	-1.546	0.000	0.000	0.000	0.000
1063	I	10	LYS	1	0.906	0.973	24.457	-40.604	-40.604	0.000	0.000	0.000	0.000
1064	I	11	MET	0	-0.101	-0.035	21.382	-0.796	-0.796	0.000	0.000	0.000	0.000
1065	I	12	PHE	0	-0.031	-0.037	24.354	-0.923	-0.923	0.000	0.000	0.000	0.000
1066	I	13	GLU	-1	-0.765	-0.867	20.650	56.492	56.492	0.000	0.000	0.000	0.000
1067	I	14	THR	0	-0.034	-0.028	21.452	0.965	0.965	0.000	0.000	0.000	0.000
1068	I	15	PHE	0	0.001	-0.006	21.794	-2.410	-2.410	0.000	0.000	0.000	0.000
1069	I	16	SER	0	-0.079	-0.009	22.453	-1.903	-1.903	0.000	0.000	0.000	0.000
1070	I	17	TYR	0	0.047	-0.007	18.624	-0.553	-0.553	0.000	0.000	0.000	0.000
1071	I	18	LEU	0	-0.051	-0.017	21.178	0.430	0.430	0.000	0.000	0.000	0.000
1072	I	19	PRO	0	-0.060	-0.040	23.842	-1.211	-1.211	0.000	0.000	0.000	0.000
1073	I	20	PRO	0	-0.032	-0.023	27.411	0.306	0.306	0.000	0.000	0.000	0.000
1074	I	21	LEU	0	0.021	0.025	27.318	-0.292	-0.292	0.000	0.000	0.000	0.000
1075	I	22	THR	0	0.001	-0.003	30.918	-1.060	-1.060	0.000	0.000	0.000	0.000
1076	I	23	ASP	-1	-0.872	-0.947	34.085	32.204	32.204	0.000	0.000	0.000	0.000
1077	I	24	GLU	-1	-0.984	-0.989	35.395	34.100	34.100	0.000	0.000	0.000	0.000
1078	I	25	GLN	0	0.055	0.031	29.348	-0.047	-0.047	0.000	0.000	0.000	0.000
1079	I	26	ILE	0	-0.004	-0.004	31.735	0.907	0.907	0.000	0.000	0.000	0.000
1080	I	27	ALA	0	-0.022	-0.020	33.369	0.274	0.274	0.000	0.000	0.000	0.000
1081	I	28	ALA	0	0.072	0.044	31.715	-0.021	-0.021	0.000	0.000	0.000	0.000
1082	I	29	GLN	0	0.023	0.012	26.999	1.516	1.516	0.000	0.000	0.000	0.000
1083	I	30	VAL	0	-0.044	-0.022	31.148	0.243	0.243	0.000	0.000	0.000	0.000
1084	I	31	ASP	-1	-0.895	-0.948	34.302	34.087	34.087	0.000	0.000	0.000	0.000
1085	I	32	TYR	0	-0.003	0.010	24.390	-0.057	-0.057	0.000	0.000	0.000	0.000
1086	I	33	ILE	0	-0.014	-0.017	30.894	0.316	0.316	0.000	0.000	0.000	0.000
1087	I	34	VAL	0	-0.037	-0.020	31.947	-0.296	-0.296	0.000	0.000	0.000	0.000
1088	I	35	ALA	0	-0.057	-0.029	31.963	-0.479	-0.479	0.000	0.000	0.000	0.000
1089	I	36	ASN	0	-0.062	-0.034	28.038	0.605	0.605	0.000	0.000	0.000	0.000
1090	I	37	GLY	0	-0.055	-0.010	30.857	0.227	0.227	0.000	0.000	0.000	0.000
1091	I	38	TRP	0	0.004	0.010	25.613	-0.242	-0.242	0.000	0.000	0.000	0.000
1092	I	39	ILE	0	-0.034	-0.029	31.979	-1.303	-1.303	0.000	0.000	0.000	0.000
1093	I	40	PRO	0	0.023	0.030	33.392	0.884	0.884	0.000	0.000	0.000	0.000
1094	I	41	CYS	0	-0.023	-0.012	34.567	-1.377	-1.377	0.000	0.000	0.000	0.000
1095	I	42	LEU	0	0.004	0.018	35.112	0.702	0.702	0.000	0.000	0.000	0.000
1096	I	43	GLU	-1	-0.833	-0.898	32.602	37.787	37.787	0.000	0.000	0.000	0.000
1097	I	44	PHE	0	-0.014	-0.022	35.727	0.312	0.312	0.000	0.000	0.000	0.000
1098	I	45	ALA	0	0.054	0.026	35.032	-0.164	-0.164	0.000	0.000	0.000	0.000
1099	I	46	GLU	-1	-0.937	-0.967	37.151	29.464	29.464	0.000	0.000	0.000	0.000
1100	I	47	HIS	0	-0.021	-0.014	35.150	0.567	0.567	0.000	0.000	0.000	0.000
1101	I	48	SER	0	-0.001	-0.001	29.257	0.403	0.403	0.000	0.000	0.000	0.000
1102	I	49	ASN	0	-0.040	-0.015	29.648	0.472	0.472	0.000	0.000	0.000	0.000
1103	I	50	PRO	0	0.007	0.012	24.684	-0.111	-0.111	0.000	0.000	0.000	0.000
1104	I	51	GLU	-1	-0.898	-0.967	26.115	43.961	43.961	0.000	0.000	0.000	0.000
1105	I	52	GLU	-1	-1.007	-0.994	27.771	35.248	35.248	0.000	0.000	0.000	0.000
1106	I	53	PHE	0	-0.023	-0.001	25.094	0.075	0.075	0.000	0.000	0.000	0.000
1107	I	54	TYR	0	-0.020	-0.008	29.817	0.112	0.112	0.000	0.000	0.000	0.000
1108	I	55	TRP	0	0.023	0.003	31.069	-0.338	-0.338	0.000	0.000	0.000	0.000
1109	I	56	THR	0	-0.029	-0.010	35.201	-0.564	-0.564	0.000	0.000	0.000	0.000
1110	I	57	MET	0	0.046	0.029	36.894	0.144	0.144	0.000	0.000	0.000	0.000
1111	I	58	TRP	0	-0.049	-0.037	39.148	-1.222	-1.222	0.000	0.000	0.000	0.000
1112	I	59	LYS	1	0.797	0.901	41.226	-27.359	-27.359	0.000	0.000	0.000	0.000
1113	I	60	LEU	0	0.022	0.004	40.921	0.082	0.082	0.000	0.000	0.000	0.000
1114	I	61	PRO	0	0.048	0.014	36.389	-0.037	-0.037	0.000	0.000	0.000	0.000
1115	I	62	MET	0	-0.041	-0.013	38.162	-0.723	-0.723	0.000	0.000	0.000	0.000
1116	I	63	PHE	0	0.024	-0.008	36.607	0.360	0.360	0.000	0.000	0.000	0.000
1117	I	64	GLY	0	-0.003	0.003	38.854	-0.774	-0.774	0.000	0.000	0.000	0.000
1118	I	65	CYS	0	-0.096	-0.016	39.396	-0.434	-0.434	0.000	0.000	0.000	0.000
1119	I	66	ARG	1	0.998	0.987	38.588	-29.549	-29.549	0.000	0.000	0.000	0.000
1120	I	67	ASP	-1	-0.884	-0.949	40.037	28.564	28.564	0.000	0.000	0.000	0.000
1121	I	68	PRO	0	0.133	0.055	38.524	-0.099	-0.099	0.000	0.000	0.000	0.000
1122	I	69	MET	0	0.008	-0.005	40.064	0.175	0.175	0.000	0.000	0.000	0.000
1123	I	70	GLN	0	-0.049	-0.040	42.756	-0.495	-0.495	0.000	0.000	0.000	0.000
1124	I	71	VAL	0	0.035	0.021	36.952	-0.245	-0.245	0.000	0.000	0.000	0.000
1125	I	72	LEU	0	0.038	0.014	37.778	-0.020	-0.020	0.000	0.000	0.000	0.000
1126	I	73	ARG	1	0.932	0.968	40.776	-27.538	-27.538	0.000	0.000	0.000	0.000
1127	I	74	GLU	-1	-0.813	-0.901	41.516	27.764	27.764	0.000	0.000	0.000	0.000
1128	I	75	ILE	0	0.046	0.038	36.591	-0.068	-0.068	0.000	0.000	0.000	0.000
1129	I	76	VAL	0	-0.013	0.009	40.246	-0.257	-0.257	0.000	0.000	0.000	0.000
1130	I	77	ALA	0	-0.057	-0.032	43.318	-0.489	-0.489	0.000	0.000	0.000	0.000
1131	I	78	CYS	0	-0.025	-0.008	40.445	-0.176	-0.176	0.000	0.000	0.000	0.000
1132	I	79	THR	0	0.012	-0.019	39.217	-0.346	-0.346	0.000	0.000	0.000	0.000
1133	I	80	LYS	1	0.913	0.966	41.999	-25.376	-25.376	0.000	0.000	0.000	0.000
1134	I	81	ALA	0	-0.076	-0.036	45.371	-0.538	-0.538	0.000	0.000	0.000	0.000
1135	I	82	PHE	0	-0.006	-0.002	41.964	-0.403	-0.403	0.000	0.000	0.000	0.000
1136	I	83	PRO	0	0.026	0.024	41.741	0.809	0.809	0.000	0.000	0.000	0.000
1137	I	84	ASP	-1	-0.958	-0.981	41.277	28.362	28.362	0.000	0.000	0.000	0.000
1138	I	85	ALA	0	-0.029	-0.014	38.786	0.457	0.457	0.000	0.000	0.000	0.000
1139	I	86	TYR	0	-0.004	-0.003	31.892	0.178	0.178	0.000	0.000	0.000	0.000
1140	I	87	VAL	0	0.004	-0.001	34.789	-0.535	-0.535	0.000	0.000	0.000	0.000
1141	I	88	ARG	1	0.845	0.919	29.594	-39.583	-39.583	0.000	0.000	0.000	0.000
1142	I	89	LEU	0	-0.015	0.006	32.099	-1.266	-1.266	0.000	0.000	0.000	0.000
1143	I	90	VAL	0	0.028	0.009	30.114	1.421	1.421	0.000	0.000	0.000	0.000
1144	I	91	ALA	0	0.016	-0.006	29.678	-1.498	-1.498	0.000	0.000	0.000	0.000
1145	I	92	PHE	0	-0.011	-0.003	28.977	1.496	1.496	0.000	0.000	0.000	0.000
1146	I	93	ASP	-1	-0.769	-0.878	26.418	42.870	42.870	0.000	0.000	0.000	0.000
1147	I	94	ASN	0	-0.032	-0.044	28.808	0.909	0.909	0.000	0.000	0.000	0.000
1148	I	95	GLN	0	-0.035	-0.002	28.212	-1.549	-1.549	0.000	0.000	0.000	0.000
1149	I	96	LYS	1	0.955	0.980	20.907	-52.708	-52.708	0.000	0.000	0.000	0.000
1150	I	97	GLN	0	-0.052	-0.011	25.891	0.612	0.612	0.000	0.000	0.000	0.000
1151	I	98	VAL	0	0.036	0.018	23.090	0.717	0.717	0.000	0.000	0.000	0.000
1152	I	99	GLN	0	-0.016	-0.008	26.401	-0.518	-0.518	0.000	0.000	0.000	0.000
1153	I	100	ILE	0	-0.035	-0.017	23.608	2.166	2.166	0.000	0.000	0.000	0.000
1154	I	101	MET	0	-0.015	-0.013	24.507	1.163	1.163	0.000	0.000	0.000	0.000
1155	I	102	GLY	0	0.055	0.019	26.353	-1.476	-1.476	0.000	0.000	0.000	0.000
1156	I	103	PHE	0	-0.002	0.006	26.117	1.475	1.475	0.000	0.000	0.000	0.000
1157	I	104	LEU	0	-0.009	-0.010	28.130	-1.561	-1.561	0.000	0.000	0.000	0.000
1158	I	105	VAL	0	-0.027	-0.018	30.534	0.146	0.146	0.000	0.000	0.000	0.000
1159	I	106	GLN	0	-0.095	-0.053	33.725	-1.398	-1.398	0.000	0.000	0.000	0.000
1160	I	107	ARG	1	0.951	0.982	27.455	-39.437	-39.437	0.000	0.000	0.000	0.000
1161	I	108	PRO	0	0.081	0.057	34.989	-0.803	-0.803	0.000	0.000	0.000	0.000
1162	I	109	LYS	1	0.975	0.974	36.970	-30.380	-30.380	0.000	0.000	0.000	0.000
1163	I	110	THR	0	-0.031	-0.016	39.230	0.250	0.250	0.000	0.000	0.000	0.000
1164	I	111	ALA	0	0.016	0.026	34.332	-0.092	-0.092	0.000	0.000	0.000	0.000
1165	I	112	ARG	1	0.899	0.937	34.797	-30.818	-30.818	0.000	0.000	0.000	0.000
1166	I	113	ASP	-1	-0.882	-0.947	31.199	37.721	37.721	0.000	0.000	0.000	0.000
1167	I	114	PHE	0	0.012	0.015	28.406	1.426	1.426	0.000	0.000	0.000	0.000
1168	I	115	GLN	0	-0.012	-0.011	27.152	-1.791	-1.791	0.000	0.000	0.000	0.000
1169	I	116	PRO	0	-0.012	-0.010	28.309	0.752	0.752	0.000	0.000	0.000	0.000
1170	I	117	ALA	0	0.074	0.024	26.051	0.601	0.601	0.000	0.000	0.000	0.000
1171	I	118	ASN	0	-0.028	-0.015	25.822	1.199	1.199	0.000	0.000	0.000	0.000
1172	I	119	LYS	1	0.913	0.959	28.114	-35.895	-35.895	0.000	0.000	0.000	0.000
1173	I	120	ARG	1	0.884	0.975	22.820	-47.582	-47.582	0.000	0.000	0.000	0.000
1174	I	121	SER	0	0.000	-0.015	22.300	0.559	0.559	0.000	0.000	0.000	0.000
1175	I	122	VAL	0	-0.059	-0.007	24.360	-1.976	-1.976	0.000	0.000	0.000	0.000
1177	B	477	CAP	-4	-3.187	-3.581	28.369	140.413	140.413	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1176(A:477:CAP)