FMO DATABASE

FMODB ID: GYNG1

Calculation Name: 3S5I-A-Xray372

Preferred Name: Falcilysin

Target Type: SINGLE PROTEIN

Ligand Name:
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ligand 3-letter code:
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PDB ID: 3S5I

Chain ID: A

ChEMBL ID: CHEMBL4295876

UniProt ID: Q76NL8

Base Structure: X-ray

Registration Date: 2023-09-26

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	1093
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-38722695.778355
FMO2-HF: Nuclear repulsion	38278760.686832
FMO2-HF: Total energy	-443935.091523
FMO2-MP2: Total energy	-445241.868463

3D Structure

Snapshot

Ligand structure

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.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:57:THR)

Summations of interaction energy for fragment #1(A:57:THR)

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.
-2.073	0.518	2.784	-1.921	-3.455	-0.005

Interaction energy analysis for fragmet #1(A:57:THR)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.023 / q_NPA : -0.021

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].
3	A	59	GLU	-1	-0.909	-0.960	3.701	-3.870	-2.386	0.001	-0.649	-0.836	0.002
4	A	60	TRP	0	-0.011	-0.011	6.015	0.348	0.348	0.000	0.000	0.000	0.000
5	A	61	ILE	0	0.014	0.005	2.203	0.364	0.008	2.696	-0.668	-1.673	-0.002
6	A	62	HIS	0	-0.016	-0.005	4.308	0.686	0.896	-0.001	-0.018	-0.191	0.000
7	A	63	GLU	-1	-0.893	-0.930	7.583	-0.550	-0.550	0.000	0.000	0.000	0.000
8	A	64	LYS	1	0.869	0.938	9.442	0.956	0.956	0.000	0.000	0.000	0.000
9	A	65	SER	0	-0.037	-0.025	9.467	0.060	0.060	0.000	0.000	0.000	0.000
10	A	66	PRO	0	-0.024	0.012	11.324	0.029	0.029	0.000	0.000	0.000	0.000
11	A	67	LYS	1	0.971	0.977	14.060	0.186	0.186	0.000	0.000	0.000	0.000
12	A	68	HIS	0	0.060	0.015	16.458	-0.005	-0.005	0.000	0.000	0.000	0.000
13	A	69	ASN	0	-0.012	-0.006	19.942	0.006	0.006	0.000	0.000	0.000	0.000
14	A	70	SER	0	-0.066	-0.053	23.132	0.012	0.012	0.000	0.000	0.000	0.000
15	A	71	TYR	0	-0.038	-0.032	20.037	0.011	0.011	0.000	0.000	0.000	0.000
16	A	72	ASP	-1	-0.864	-0.909	18.712	-0.037	-0.037	0.000	0.000	0.000	0.000
17	A	73	ILE	0	-0.040	-0.015	12.075	-0.002	-0.002	0.000	0.000	0.000	0.000
18	A	74	ILE	0	-0.030	-0.011	15.031	0.021	0.021	0.000	0.000	0.000	0.000
19	A	75	GLU	-1	-0.801	-0.890	11.978	0.083	0.083	0.000	0.000	0.000	0.000
20	A	76	LYS	1	0.914	0.953	6.678	0.187	0.187	0.000	0.000	0.000	0.000
21	A	77	ARG	1	0.737	0.847	6.814	-0.047	-0.047	0.000	0.000	0.000	0.000
22	A	78	TYR	0	-0.064	-0.071	3.318	-2.126	-0.873	0.088	-0.586	-0.755	-0.005
23	A	79	ASN	0	0.005	0.004	5.541	0.165	0.165	0.000	0.000	0.000	0.000
24	A	80	GLU	-1	-0.821	-0.896	5.489	1.485	1.485	0.000	0.000	0.000	0.000
25	A	81	GLU	-1	-0.822	-0.897	7.343	0.370	0.370	0.000	0.000	0.000	0.000
26	A	82	PHE	0	-0.005	-0.019	10.825	-0.058	-0.058	0.000	0.000	0.000	0.000
27	A	83	LYS	1	0.877	0.953	7.556	-0.213	-0.213	0.000	0.000	0.000	0.000
28	A	84	MET	0	-0.019	0.011	8.439	-0.176	-0.176	0.000	0.000	0.000	0.000
29	A	85	THR	0	-0.024	-0.006	6.481	-0.041	-0.041	0.000	0.000	0.000	0.000
30	A	86	TYR	0	0.013	-0.010	8.484	0.064	0.064	0.000	0.000	0.000	0.000
31	A	87	THR	0	0.001	0.002	9.991	-0.016	-0.016	0.000	0.000	0.000	0.000
32	A	88	VAL	0	0.015	0.021	12.372	-0.003	-0.003	0.000	0.000	0.000	0.000
33	A	89	TYR	0	-0.025	-0.036	14.384	0.005	0.005	0.000	0.000	0.000	0.000
34	A	90	GLN	0	0.046	0.028	18.151	0.006	0.006	0.000	0.000	0.000	0.000
35	A	91	HIS	0	0.034	-0.004	21.155	0.005	0.005	0.000	0.000	0.000	0.000
36	A	92	LYS	1	0.824	0.887	21.835	0.058	0.058	0.000	0.000	0.000	0.000
37	A	93	LYS	1	0.899	0.971	25.711	0.054	0.054	0.000	0.000	0.000	0.000
38	A	94	ALA	0	0.054	0.022	28.208	0.006	0.006	0.000	0.000	0.000	0.000
39	A	95	LYS	1	0.801	0.887	25.635	0.022	0.022	0.000	0.000	0.000	0.000
40	A	96	THR	0	0.033	0.009	25.171	0.002	0.002	0.000	0.000	0.000	0.000
41	A	97	GLN	0	-0.046	-0.035	20.400	-0.005	-0.005	0.000	0.000	0.000	0.000
42	A	98	VAL	0	0.004	0.005	19.378	0.002	0.002	0.000	0.000	0.000	0.000
43	A	99	ILE	0	-0.011	-0.001	15.906	-0.011	-0.011	0.000	0.000	0.000	0.000
44	A	100	SER	0	0.036	0.003	14.383	0.005	0.005	0.000	0.000	0.000	0.000
45	A	101	LEU	0	-0.013	-0.008	13.178	-0.027	-0.027	0.000	0.000	0.000	0.000
46	A	102	GLY	0	-0.009	-0.003	12.084	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	103	THR	0	-0.003	-0.021	11.159	-0.031	-0.031	0.000	0.000	0.000	0.000
48	A	104	ASN	0	0.034	-0.009	10.163	-0.152	-0.152	0.000	0.000	0.000	0.000
49	A	105	ASP	-1	-0.799	-0.860	12.108	-0.109	-0.109	0.000	0.000	0.000	0.000
50	A	106	PRO	0	0.003	-0.018	14.725	0.002	0.002	0.000	0.000	0.000	0.000
51	A	107	LEU	0	-0.008	-0.006	17.803	0.007	0.007	0.000	0.000	0.000	0.000
52	A	108	ASP	-1	-0.744	-0.835	16.117	-0.119	-0.119	0.000	0.000	0.000	0.000
53	A	109	VAL	0	-0.063	-0.042	19.068	-0.029	-0.029	0.000	0.000	0.000	0.000
54	A	110	GLU	-1	-0.810	-0.887	21.896	-0.078	-0.078	0.000	0.000	0.000	0.000
55	A	111	GLN	0	-0.020	0.027	21.073	-0.041	-0.041	0.000	0.000	0.000	0.000
56	A	112	ALA	0	0.032	0.000	21.673	0.015	0.015	0.000	0.000	0.000	0.000
57	A	113	PHE	0	-0.020	-0.020	21.864	-0.015	-0.015	0.000	0.000	0.000	0.000
58	A	114	ALA	0	0.036	0.009	23.470	0.009	0.009	0.000	0.000	0.000	0.000
59	A	115	PHE	0	-0.016	0.006	24.302	-0.002	-0.002	0.000	0.000	0.000	0.000
60	A	116	TYR	0	-0.014	-0.030	23.560	0.003	0.003	0.000	0.000	0.000	0.000
61	A	117	VAL	0	0.016	0.005	26.932	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	118	LYS	1	0.892	0.969	28.023	-0.020	-0.020	0.000	0.000	0.000	0.000
63	A	119	THR	0	-0.024	-0.024	30.481	-0.002	-0.002	0.000	0.000	0.000	0.000
64	A	120	LEU	0	0.007	0.011	32.251	0.000	0.000	0.000	0.000	0.000	0.000
65	A	121	THR	0	-0.033	-0.011	35.760	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	122	HIS	1	0.787	0.857	38.722	-0.009	-0.009	0.000	0.000	0.000	0.000
67	A	123	SER	0	-0.002	-0.012	42.377	0.000	0.000	0.000	0.000	0.000	0.000
68	A	124	GLY	0	0.079	0.046	43.758	0.000	0.000	0.000	0.000	0.000	0.000
69	A	125	LYS	1	0.772	0.865	45.710	-0.003	-0.003	0.000	0.000	0.000	0.000
70	A	126	GLY	0	0.078	0.035	42.571	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	127	ILE	0	-0.048	-0.011	41.362	-0.002	-0.002	0.000	0.000	0.000	0.000
72	A	128	PRO	0	0.011	0.007	36.544	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	129	HIS	0	0.004	0.024	38.074	-0.003	-0.003	0.000	0.000	0.000	0.000
74	A	130	ILE	0	0.007	0.010	39.595	-0.002	-0.002	0.000	0.000	0.000	0.000
75	A	131	LEU	0	-0.017	0.017	38.398	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	132	GLU	-1	-0.903	-0.900	34.999	-0.015	-0.015	0.000	0.000	0.000	0.000
77	A	133	HIS	1	0.857	0.890	37.601	0.009	0.009	0.000	0.000	0.000	0.000
78	A	134	SER	0	-0.033	-0.041	40.518	-0.002	-0.002	0.000	0.000	0.000	0.000
79	A	135	VAL	0	-0.050	-0.045	36.354	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	136	LEU	0	0.042	0.020	35.062	-0.003	-0.003	0.000	0.000	0.000	0.000
81	A	137	SER	0	-0.046	-0.016	38.940	-0.002	-0.002	0.000	0.000	0.000	0.000
82	A	138	GLY	0	0.023	0.026	41.221	0.001	0.001	0.000	0.000	0.000	0.000
83	A	139	SER	0	-0.038	-0.052	38.754	0.001	0.001	0.000	0.000	0.000	0.000
84	A	140	LYS	1	0.897	0.944	40.518	0.028	0.028	0.000	0.000	0.000	0.000
85	A	141	ASN	0	-0.096	-0.059	38.296	-0.002	-0.002	0.000	0.000	0.000	0.000
86	A	142	TYR	0	-0.015	-0.005	35.212	-0.003	-0.003	0.000	0.000	0.000	0.000
87	A	143	ASN	0	0.037	0.038	41.132	0.002	0.002	0.000	0.000	0.000	0.000
88	A	144	TYR	0	-0.026	-0.023	42.779	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	145	LYS	1	0.817	0.888	45.055	0.020	0.020	0.000	0.000	0.000	0.000
90	A	146	ASN	0	0.002	-0.007	43.496	0.000	0.000	0.000	0.000	0.000	0.000
91	A	147	SER	0	0.029	0.012	39.773	-0.001	-0.001	0.000	0.000	0.000	0.000
92	A	148	ILE	0	0.043	0.026	35.785	-0.003	-0.003	0.000	0.000	0.000	0.000
93	A	149	GLY	0	0.062	0.029	39.060	-0.002	-0.002	0.000	0.000	0.000	0.000
94	A	150	LEU	0	-0.066	-0.031	41.513	0.000	0.000	0.000	0.000	0.000	0.000
95	A	151	LEU	0	-0.024	-0.002	34.600	-0.003	-0.003	0.000	0.000	0.000	0.000
96	A	152	GLU	-1	-0.885	-0.930	37.697	-0.036	-0.036	0.000	0.000	0.000	0.000
97	A	153	LYS	1	0.786	0.881	39.278	0.028	0.028	0.000	0.000	0.000	0.000
98	A	154	GLY	0	-0.042	-0.035	39.851	0.001	0.001	0.000	0.000	0.000	0.000
99	A	155	THR	0	-0.016	-0.011	34.286	-0.002	-0.002	0.000	0.000	0.000	0.000
100	A	156	LEU	0	-0.077	-0.044	32.269	0.002	0.002	0.000	0.000	0.000	0.000
101	A	157	HIS	0	-0.003	-0.010	30.826	-0.006	-0.006	0.000	0.000	0.000	0.000
102	A	158	THR	0	-0.075	-0.060	26.500	-0.002	-0.002	0.000	0.000	0.000	0.000
103	A	159	HIS	0	-0.006	0.010	25.287	0.006	0.006	0.000	0.000	0.000	0.000
104	A	160	LEU	0	0.035	0.024	30.509	-0.006	-0.006	0.000	0.000	0.000	0.000
105	A	161	ASN	0	-0.022	-0.004	30.755	0.005	0.005	0.000	0.000	0.000	0.000
106	A	162	ALA	0	0.017	0.004	31.957	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	163	TYR	0	-0.005	-0.005	29.792	0.003	0.003	0.000	0.000	0.000	0.000
108	A	164	THR	0	0.000	-0.022	32.145	0.000	0.000	0.000	0.000	0.000	0.000
109	A	165	PHE	0	0.004	0.009	29.030	0.002	0.002	0.000	0.000	0.000	0.000
110	A	166	ASN	0	0.004	0.015	33.668	0.000	0.000	0.000	0.000	0.000	0.000
111	A	167	ASP	-1	-0.707	-0.835	31.145	0.018	0.018	0.000	0.000	0.000	0.000
112	A	168	ARG	1	0.811	0.907	27.294	-0.017	-0.017	0.000	0.000	0.000	0.000
113	A	169	THR	0	0.017	0.008	30.891	0.001	0.001	0.000	0.000	0.000	0.000
114	A	170	VAL	0	-0.010	-0.007	26.507	-0.003	-0.003	0.000	0.000	0.000	0.000
115	A	171	TYR	0	0.027	0.015	28.886	0.002	0.002	0.000	0.000	0.000	0.000
116	A	172	MET	0	-0.014	0.018	23.622	-0.008	-0.008	0.000	0.000	0.000	0.000
117	A	173	ALA	0	0.028	0.010	27.056	0.004	0.004	0.000	0.000	0.000	0.000
118	A	174	GLY	0	0.050	0.018	26.175	-0.008	-0.008	0.000	0.000	0.000	0.000
119	A	175	SER	0	-0.035	-0.042	26.241	0.005	0.005	0.000	0.000	0.000	0.000
120	A	176	MET	0	-0.016	0.008	26.011	-0.011	-0.011	0.000	0.000	0.000	0.000
121	A	177	ASN	0	-0.014	-0.008	27.614	-0.009	-0.009	0.000	0.000	0.000	0.000
122	A	178	ASN	0	0.001	-0.014	24.658	0.002	0.002	0.000	0.000	0.000	0.000
123	A	179	LYS	1	0.879	0.914	27.109	0.096	0.096	0.000	0.000	0.000	0.000
124	A	180	ASP	-1	-0.759	-0.850	30.626	-0.068	-0.068	0.000	0.000	0.000	0.000
125	A	181	PHE	0	-0.008	0.007	23.492	0.004	0.004	0.000	0.000	0.000	0.000
126	A	182	PHE	0	0.016	-0.002	23.727	0.005	0.005	0.000	0.000	0.000	0.000
127	A	183	ASN	0	-0.035	-0.015	29.365	0.005	0.005	0.000	0.000	0.000	0.000
128	A	184	ILE	0	0.005	0.009	30.687	0.006	0.006	0.000	0.000	0.000	0.000
129	A	185	MET	0	-0.032	-0.014	24.751	0.002	0.002	0.000	0.000	0.000	0.000
130	A	186	GLY	0	-0.012	-0.005	29.915	0.003	0.003	0.000	0.000	0.000	0.000
131	A	187	VAL	0	0.012	0.011	32.644	0.004	0.004	0.000	0.000	0.000	0.000
132	A	188	TYR	0	-0.013	-0.005	30.776	0.003	0.003	0.000	0.000	0.000	0.000
133	A	189	MET	0	-0.034	0.002	29.124	0.003	0.003	0.000	0.000	0.000	0.000
134	A	190	ASP	-1	-0.710	-0.807	31.597	-0.035	-0.035	0.000	0.000	0.000	0.000
135	A	191	SER	0	-0.014	-0.018	35.115	0.004	0.004	0.000	0.000	0.000	0.000
136	A	192	VAL	0	-0.017	-0.003	30.712	0.004	0.004	0.000	0.000	0.000	0.000
137	A	193	PHE	0	-0.020	-0.004	29.236	0.004	0.004	0.000	0.000	0.000	0.000
138	A	194	GLN	0	-0.054	-0.028	35.177	0.005	0.005	0.000	0.000	0.000	0.000
139	A	195	PRO	0	0.057	0.045	37.710	-0.001	-0.001	0.000	0.000	0.000	0.000
140	A	196	ASN	0	0.010	-0.029	40.276	0.001	0.001	0.000	0.000	0.000	0.000
141	A	197	VAL	0	-0.019	0.002	42.053	0.001	0.001	0.000	0.000	0.000	0.000
142	A	198	LEU	0	-0.039	-0.011	40.193	0.002	0.002	0.000	0.000	0.000	0.000
143	A	199	GLU	-1	-0.932	-0.958	44.653	-0.017	-0.017	0.000	0.000	0.000	0.000
144	A	200	ASN	0	-0.056	-0.025	47.417	0.002	0.002	0.000	0.000	0.000	0.000
145	A	201	LYS	1	0.912	0.940	48.632	0.008	0.008	0.000	0.000	0.000	0.000
146	A	202	TYR	0	0.029	0.014	50.743	0.001	0.001	0.000	0.000	0.000	0.000
147	A	203	ILE	0	-0.023	0.012	44.948	0.000	0.000	0.000	0.000	0.000	0.000
148	A	204	PHE	0	0.014	0.005	46.186	0.000	0.000	0.000	0.000	0.000	0.000
149	A	205	GLU	-1	-0.809	-0.893	47.811	-0.008	-0.008	0.000	0.000	0.000	0.000
150	A	206	THR	0	-0.046	-0.026	48.770	0.001	0.001	0.000	0.000	0.000	0.000
151	A	207	GLU	-1	-0.771	-0.879	44.317	-0.014	-0.014	0.000	0.000	0.000	0.000
152	A	208	GLY	0	0.026	0.014	46.147	0.001	0.001	0.000	0.000	0.000	0.000
153	A	209	TRP	0	-0.107	-0.060	47.289	0.001	0.001	0.000	0.000	0.000	0.000
154	A	210	THR	0	0.009	0.012	50.974	0.000	0.000	0.000	0.000	0.000	0.000
155	A	211	TYR	0	0.020	0.003	54.475	0.001	0.001	0.000	0.000	0.000	0.000
156	A	212	GLU	-1	-0.779	-0.880	56.800	-0.009	-0.009	0.000	0.000	0.000	0.000
157	A	213	VAL	0	-0.029	-0.022	59.527	0.001	0.001	0.000	0.000	0.000	0.000
158	A	214	GLU	-1	-0.851	-0.911	63.332	-0.006	-0.006	0.000	0.000	0.000	0.000
159	A	215	LYS	1	0.795	0.892	65.649	0.006	0.006	0.000	0.000	0.000	0.000
160	A	216	LEU	0	-0.041	-0.008	69.470	0.000	0.000	0.000	0.000	0.000	0.000
161	A	217	LYS	1	0.872	0.930	68.450	0.004	0.004	0.000	0.000	0.000	0.000
162	A	218	GLU	-1	-0.828	-0.935	73.042	-0.003	-0.003	0.000	0.000	0.000	0.000
163	A	219	ASP	-1	-0.901	-0.945	73.385	-0.002	-0.002	0.000	0.000	0.000	0.000
164	A	220	GLU	-1	-0.759	-0.864	68.712	-0.003	-0.003	0.000	0.000	0.000	0.000
165	A	221	LYS	1	0.787	0.910	72.899	0.004	0.004	0.000	0.000	0.000	0.000
166	A	222	GLY	0	-0.007	-0.005	74.701	0.000	0.000	0.000	0.000	0.000	0.000
167	A	223	LYS	1	0.820	0.908	72.447	0.000	0.000	0.000	0.000	0.000	0.000
168	A	224	ALA	0	0.048	0.020	71.825	0.000	0.000	0.000	0.000	0.000	0.000
169	A	225	GLU	-1	-0.837	-0.908	68.833	0.001	0.001	0.000	0.000	0.000	0.000
170	A	226	ILE	0	-0.005	-0.001	67.407	0.000	0.000	0.000	0.000	0.000	0.000
171	A	227	PRO	0	0.017	0.017	63.948	0.000	0.000	0.000	0.000	0.000	0.000
172	A	228	GLN	0	0.002	-0.003	66.888	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	229	MET	0	-0.010	0.002	65.295	0.001	0.001	0.000	0.000	0.000	0.000
174	A	230	LYS	1	0.790	0.879	70.191	0.003	0.003	0.000	0.000	0.000	0.000
175	A	231	ASP	-1	-0.794	-0.896	72.238	-0.005	-0.005	0.000	0.000	0.000	0.000
176	A	232	TYR	0	-0.021	-0.008	66.923	0.000	0.000	0.000	0.000	0.000	0.000
177	A	233	LYS	1	0.803	0.878	65.086	0.004	0.004	0.000	0.000	0.000	0.000
178	A	234	VAL	0	-0.025	-0.026	62.243	-0.001	-0.001	0.000	0.000	0.000	0.000
179	A	235	SER	0	-0.010	-0.003	58.900	0.001	0.001	0.000	0.000	0.000	0.000
180	A	236	PHE	0	0.023	0.007	55.092	0.000	0.000	0.000	0.000	0.000	0.000
181	A	237	ASN	0	-0.028	-0.021	53.807	0.000	0.000	0.000	0.000	0.000	0.000
182	A	238	GLY	0	0.068	0.032	50.635	0.000	0.000	0.000	0.000	0.000	0.000
183	A	239	ILE	0	-0.055	-0.012	45.280	0.001	0.001	0.000	0.000	0.000	0.000
184	A	240	VAL	0	0.034	0.014	43.248	0.001	0.001	0.000	0.000	0.000	0.000
185	A	241	TYR	0	-0.050	-0.045	45.947	0.001	0.001	0.000	0.000	0.000	0.000
186	A	242	ASN	0	-0.016	-0.023	49.357	0.002	0.002	0.000	0.000	0.000	0.000
187	A	243	GLU	-1	-0.850	-0.894	42.312	-0.006	-0.006	0.000	0.000	0.000	0.000
188	A	244	MET	0	-0.020	0.000	42.961	0.001	0.001	0.000	0.000	0.000	0.000
189	A	245	LYS	1	0.788	0.870	46.816	0.001	0.001	0.000	0.000	0.000	0.000
190	A	246	GLY	0	-0.026	-0.010	49.130	0.001	0.001	0.000	0.000	0.000	0.000
191	A	247	ALA	0	0.017	0.019	45.154	0.001	0.001	0.000	0.000	0.000	0.000
192	A	248	LEU	0	-0.036	-0.013	47.006	0.001	0.001	0.000	0.000	0.000	0.000
193	A	249	SER	0	-0.119	-0.063	49.905	0.001	0.001	0.000	0.000	0.000	0.000
194	A	250	SER	0	-0.019	-0.031	45.997	0.001	0.001	0.000	0.000	0.000	0.000
195	A	251	PRO	0	-0.006	-0.016	47.687	0.001	0.001	0.000	0.000	0.000	0.000
196	A	252	LEU	0	-0.016	-0.020	43.086	0.002	0.002	0.000	0.000	0.000	0.000
197	A	253	GLU	-1	-0.834	-0.909	42.075	0.008	0.008	0.000	0.000	0.000	0.000
198	A	254	ASP	-1	-0.840	-0.900	43.875	0.013	0.013	0.000	0.000	0.000	0.000
199	A	255	LEU	0	0.010	-0.003	43.547	0.001	0.001	0.000	0.000	0.000	0.000
200	A	256	TYR	0	0.028	0.023	35.785	0.003	0.003	0.000	0.000	0.000	0.000
201	A	257	HIS	0	0.011	-0.011	40.906	0.002	0.002	0.000	0.000	0.000	0.000
202	A	258	GLU	-1	-0.813	-0.879	43.293	0.016	0.016	0.000	0.000	0.000	0.000
203	A	259	GLU	-1	-0.797	-0.875	40.305	0.028	0.028	0.000	0.000	0.000	0.000
204	A	260	MET	0	-0.009	-0.001	37.303	0.002	0.002	0.000	0.000	0.000	0.000
205	A	261	LYS	1	0.821	0.904	40.833	-0.015	-0.015	0.000	0.000	0.000	0.000
206	A	262	TYR	0	-0.077	-0.060	43.675	0.000	0.000	0.000	0.000	0.000	0.000
207	A	263	MET	0	-0.064	-0.014	38.675	0.003	0.003	0.000	0.000	0.000	0.000
208	A	264	PHE	0	0.018	-0.008	34.172	0.002	0.002	0.000	0.000	0.000	0.000
209	A	265	PRO	0	-0.018	0.001	40.038	-0.002	-0.002	0.000	0.000	0.000	0.000
210	A	266	ASP	-1	-0.774	-0.853	41.777	0.025	0.025	0.000	0.000	0.000	0.000
211	A	267	ASN	0	-0.028	-0.017	35.780	-0.002	-0.002	0.000	0.000	0.000	0.000
212	A	268	VAL	0	0.028	0.001	35.860	-0.001	-0.001	0.000	0.000	0.000	0.000
213	A	269	HIS	0	0.000	-0.002	32.665	0.001	0.001	0.000	0.000	0.000	0.000
214	A	270	SER	0	-0.023	0.008	37.686	-0.001	-0.001	0.000	0.000	0.000	0.000
215	A	271	ASN	0	-0.069	-0.027	40.454	-0.002	-0.002	0.000	0.000	0.000	0.000
216	A	272	ASN	0	0.055	0.011	40.192	0.000	0.000	0.000	0.000	0.000	0.000
217	A	273	SER	0	-0.071	-0.058	36.880	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	274	GLY	0	0.056	0.025	39.970	-0.002	-0.002	0.000	0.000	0.000	0.000
219	A	275	GLY	0	0.049	0.007	41.255	-0.002	-0.002	0.000	0.000	0.000	0.000
220	A	276	ASP	-1	-0.829	-0.911	44.626	0.008	0.008	0.000	0.000	0.000	0.000
221	A	277	PRO	0	0.001	0.001	47.999	0.000	0.000	0.000	0.000	0.000	0.000
222	A	278	LYS	1	0.895	0.945	51.035	-0.006	-0.006	0.000	0.000	0.000	0.000
223	A	279	GLU	-1	-0.776	-0.871	48.567	0.007	0.007	0.000	0.000	0.000	0.000
224	A	280	ILE	0	0.026	0.027	46.379	-0.001	-0.001	0.000	0.000	0.000	0.000
225	A	281	THR	0	-0.028	-0.018	49.241	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	282	ASN	0	-0.061	-0.022	51.699	0.000	0.000	0.000	0.000	0.000	0.000
227	A	283	LEU	0	-0.063	-0.006	45.574	0.000	0.000	0.000	0.000	0.000	0.000
228	A	284	THR	0	-0.001	-0.023	49.740	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	285	TYR	0	0.015	-0.022	47.084	0.000	0.000	0.000	0.000	0.000	0.000
230	A	286	GLU	-1	-0.832	-0.925	47.480	-0.008	-0.008	0.000	0.000	0.000	0.000
231	A	287	GLU	-1	-0.728	-0.826	46.418	0.001	0.001	0.000	0.000	0.000	0.000
232	A	288	PHE	0	-0.008	-0.006	42.805	0.000	0.000	0.000	0.000	0.000	0.000
233	A	289	LYS	1	0.859	0.935	42.649	0.009	0.009	0.000	0.000	0.000	0.000
234	A	290	GLU	-1	-0.971	-0.982	42.337	-0.003	-0.003	0.000	0.000	0.000	0.000
235	A	291	PHE	0	-0.016	-0.017	37.746	0.000	0.000	0.000	0.000	0.000	0.000
236	A	292	TYR	0	-0.011	-0.030	36.302	0.000	0.000	0.000	0.000	0.000	0.000
237	A	293	TYR	0	-0.010	-0.018	37.462	0.000	0.000	0.000	0.000	0.000	0.000
238	A	294	LYS	1	0.843	0.931	36.788	-0.006	-0.006	0.000	0.000	0.000	0.000
239	A	295	ASN	0	-0.017	-0.006	34.353	0.002	0.002	0.000	0.000	0.000	0.000
240	A	296	TYR	0	0.014	-0.017	32.826	0.001	0.001	0.000	0.000	0.000	0.000
241	A	297	ASN	0	-0.023	-0.018	32.912	-0.006	-0.006	0.000	0.000	0.000	0.000
242	A	298	PRO	0	0.036	0.013	30.398	0.001	0.001	0.000	0.000	0.000	0.000
243	A	299	LYS	1	0.820	0.922	28.330	0.006	0.006	0.000	0.000	0.000	0.000
244	A	300	LYS	1	0.747	0.887	27.405	0.001	0.001	0.000	0.000	0.000	0.000
245	A	301	VAL	0	-0.008	0.022	27.561	0.001	0.001	0.000	0.000	0.000	0.000
246	A	302	LYS	1	0.786	0.900	22.278	0.013	0.013	0.000	0.000	0.000	0.000
247	A	303	VAL	0	0.015	-0.001	22.693	0.001	0.001	0.000	0.000	0.000	0.000
248	A	304	PHE	0	0.045	0.025	18.453	-0.010	-0.010	0.000	0.000	0.000	0.000
249	A	305	PHE	0	-0.017	-0.015	17.529	0.002	0.002	0.000	0.000	0.000	0.000
250	A	306	PHE	0	0.039	0.021	15.194	-0.010	-0.010	0.000	0.000	0.000	0.000
251	A	307	SER	0	0.020	-0.009	16.673	0.008	0.008	0.000	0.000	0.000	0.000
252	A	308	LYS	1	0.836	0.900	14.914	0.205	0.205	0.000	0.000	0.000	0.000
253	A	309	ASN	0	-0.046	-0.024	14.819	-0.084	-0.084	0.000	0.000	0.000	0.000
254	A	310	ASN	0	0.034	0.025	14.178	0.049	0.049	0.000	0.000	0.000	0.000
255	A	311	PRO	0	0.026	0.018	14.627	0.037	0.037	0.000	0.000	0.000	0.000
256	A	312	THR	0	-0.040	-0.042	17.541	0.037	0.037	0.000	0.000	0.000	0.000
257	A	313	GLU	-1	-0.878	-0.919	19.670	-0.139	-0.139	0.000	0.000	0.000	0.000
258	A	314	LEU	0	0.049	0.029	20.473	0.018	0.018	0.000	0.000	0.000	0.000
259	A	315	LEU	0	-0.006	-0.004	17.594	0.018	0.018	0.000	0.000	0.000	0.000
260	A	316	ASN	0	0.026	0.018	22.116	0.019	0.019	0.000	0.000	0.000	0.000
261	A	317	PHE	0	0.019	0.013	25.136	0.011	0.011	0.000	0.000	0.000	0.000
262	A	318	VAL	0	0.036	0.013	24.446	0.010	0.010	0.000	0.000	0.000	0.000
263	A	319	ASP	-1	-0.824	-0.883	25.588	-0.068	-0.068	0.000	0.000	0.000	0.000
264	A	320	GLN	0	-0.050	-0.036	27.411	0.010	0.010	0.000	0.000	0.000	0.000
265	A	321	TYR	0	-0.019	-0.023	30.057	0.006	0.006	0.000	0.000	0.000	0.000
266	A	322	LEU	0	0.010	-0.005	27.087	0.006	0.006	0.000	0.000	0.000	0.000
267	A	323	GLY	0	-0.039	-0.005	31.198	0.005	0.005	0.000	0.000	0.000	0.000
268	A	324	GLN	0	-0.020	-0.007	33.320	0.005	0.005	0.000	0.000	0.000	0.000
269	A	325	LEU	0	-0.004	0.015	32.805	0.003	0.003	0.000	0.000	0.000	0.000
270	A	326	ASP	-1	-0.776	-0.837	36.561	-0.019	-0.019	0.000	0.000	0.000	0.000
271	A	327	TYR	0	-0.039	-0.063	32.134	0.003	0.003	0.000	0.000	0.000	0.000
272	A	328	SER	0	-0.102	-0.072	37.678	0.003	0.003	0.000	0.000	0.000	0.000
273	A	329	LYS	1	0.854	0.909	40.441	0.019	0.019	0.000	0.000	0.000	0.000
274	A	330	TYR	0	0.014	0.011	36.041	0.001	0.001	0.000	0.000	0.000	0.000
275	A	331	ARG	1	0.945	0.971	38.369	0.005	0.005	0.000	0.000	0.000	0.000
276	A	332	ASP	-1	-0.769	-0.876	37.454	0.006	0.006	0.000	0.000	0.000	0.000
277	A	333	ASP	-1	-0.753	-0.858	33.403	-0.006	-0.006	0.000	0.000	0.000	0.000
278	A	334	ALA	0	-0.036	-0.013	32.926	0.001	0.001	0.000	0.000	0.000	0.000
279	A	335	VAL	0	-0.008	-0.004	28.519	-0.002	-0.002	0.000	0.000	0.000	0.000
280	A	336	GLU	-1	-0.833	-0.896	31.911	0.017	0.017	0.000	0.000	0.000	0.000
281	A	337	SER	0	0.008	-0.022	30.517	0.001	0.001	0.000	0.000	0.000	0.000
282	A	338	VAL	0	0.000	0.013	31.754	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	339	GLU	-1	-0.808	-0.891	32.657	0.044	0.044	0.000	0.000	0.000	0.000
284	A	340	TYR	0	-0.051	-0.039	27.891	-0.004	-0.004	0.000	0.000	0.000	0.000
285	A	341	GLN	0	-0.055	-0.042	34.751	-0.003	-0.003	0.000	0.000	0.000	0.000
286	A	342	THR	0	0.040	0.017	37.423	0.003	0.003	0.000	0.000	0.000	0.000
287	A	343	TYR	0	0.003	0.012	39.867	-0.002	-0.002	0.000	0.000	0.000	0.000
288	A	344	LYS	1	0.806	0.891	41.665	-0.029	-0.029	0.000	0.000	0.000	0.000
289	A	345	LYS	1	0.944	0.969	44.898	-0.031	-0.031	0.000	0.000	0.000	0.000
290	A	346	GLY	0	0.029	0.040	46.581	-0.002	-0.002	0.000	0.000	0.000	0.000
291	A	347	PRO	0	-0.043	-0.049	47.309	0.001	0.001	0.000	0.000	0.000	0.000
292	A	348	PHE	0	-0.038	-0.020	43.643	-0.002	-0.002	0.000	0.000	0.000	0.000
293	A	349	TYR	0	-0.066	-0.055	48.949	0.000	0.000	0.000	0.000	0.000	0.000
294	A	350	ILE	0	-0.018	-0.005	49.231	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	351	LYS	1	0.800	0.903	52.066	-0.015	-0.015	0.000	0.000	0.000	0.000
296	A	352	LYS	1	0.786	0.875	49.865	-0.013	-0.013	0.000	0.000	0.000	0.000
297	A	353	LYS	1	0.817	0.896	53.574	-0.011	-0.011	0.000	0.000	0.000	0.000
298	A	354	TYR	0	0.024	-0.024	52.199	0.000	0.000	0.000	0.000	0.000	0.000
299	A	355	GLY	0	-0.004	-0.001	54.254	0.000	0.000	0.000	0.000	0.000	0.000
300	A	356	ASP	-1	-0.755	-0.857	55.206	0.007	0.007	0.000	0.000	0.000	0.000
301	A	357	HIS	1	0.820	0.874	57.339	-0.005	-0.005	0.000	0.000	0.000	0.000
302	A	358	SER	0	-0.052	-0.035	57.315	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	359	GLU	-1	-0.930	-0.952	60.029	0.006	0.006	0.000	0.000	0.000	0.000
304	A	360	GLU	-1	-0.826	-0.909	60.143	0.011	0.011	0.000	0.000	0.000	0.000
305	A	361	LYS	1	0.790	0.893	58.568	-0.007	-0.007	0.000	0.000	0.000	0.000
306	A	362	GLU	-1	-0.761	-0.866	51.554	0.013	0.013	0.000	0.000	0.000	0.000
307	A	363	ASN	0	-0.033	-0.002	53.746	-0.001	-0.001	0.000	0.000	0.000	0.000
308	A	364	LEU	0	-0.014	-0.009	47.348	0.000	0.000	0.000	0.000	0.000	0.000
309	A	365	VAL	0	-0.008	0.005	48.268	0.000	0.000	0.000	0.000	0.000	0.000
310	A	366	SER	0	-0.028	-0.032	42.790	0.001	0.001	0.000	0.000	0.000	0.000
311	A	367	VAL	0	-0.030	-0.013	43.610	-0.001	-0.001	0.000	0.000	0.000	0.000
312	A	368	ALA	0	0.019	0.012	40.262	0.001	0.001	0.000	0.000	0.000	0.000
313	A	369	TRP	0	-0.023	-0.031	38.150	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	370	LEU	0	0.043	0.027	35.058	0.001	0.001	0.000	0.000	0.000	0.000
315	A	371	LEU	0	-0.052	-0.028	32.742	0.001	0.001	0.000	0.000	0.000	0.000
316	A	372	ASN	0	0.058	0.029	30.698	0.000	0.000	0.000	0.000	0.000	0.000
317	A	373	PRO	0	0.026	0.024	34.154	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	374	LYS	1	0.835	0.902	34.307	-0.042	-0.042	0.000	0.000	0.000	0.000
319	A	375	VAL	0	0.002	0.003	36.860	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	376	ASP	-1	-0.974	-0.979	39.607	0.037	0.037	0.000	0.000	0.000	0.000
321	A	399	GLY	0	-0.013	-0.008	30.512	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	400	SER	0	-0.015	0.003	29.251	0.003	0.003	0.000	0.000	0.000	0.000
323	A	401	HIS	0	-0.090	-0.030	28.707	-0.007	-0.007	0.000	0.000	0.000	0.000
324	A	402	SER	0	0.044	-0.003	33.496	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	403	SER	0	-0.063	-0.036	34.174	0.002	0.002	0.000	0.000	0.000	0.000
326	A	404	ASP	-1	-0.899	-0.926	34.784	0.058	0.058	0.000	0.000	0.000	0.000
327	A	405	LEU	0	-0.006	-0.013	34.804	0.000	0.000	0.000	0.000	0.000	0.000
328	A	406	SER	-1	-0.718	-0.858	30.430	0.074	0.074	0.000	0.000	0.000	0.000
329	A	407	LEU	0	-0.099	-0.064	28.221	0.004	0.004	0.000	0.000	0.000	0.000
330	A	408	GLU	-1	-0.745	-0.833	25.069	0.076	0.076	0.000	0.000	0.000	0.000
331	A	409	ASN	0	-0.102	-0.042	22.753	0.014	0.014	0.000	0.000	0.000	0.000
332	A	410	PRO	0	0.028	0.001	18.177	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	411	THR	0	-0.042	-0.032	20.453	0.006	0.006	0.000	0.000	0.000	0.000
334	A	412	ASP	-1	-0.775	-0.888	22.227	0.109	0.109	0.000	0.000	0.000	0.000
335	A	413	TYR	0	0.003	-0.005	21.710	-0.003	-0.003	0.000	0.000	0.000	0.000
336	A	414	PHE	0	0.029	0.002	18.124	-0.003	-0.003	0.000	0.000	0.000	0.000
337	A	415	VAL	0	-0.024	-0.012	23.785	-0.004	-0.004	0.000	0.000	0.000	0.000
338	A	416	LEU	0	0.012	0.016	27.163	-0.007	-0.007	0.000	0.000	0.000	0.000
339	A	417	LEU	0	0.006	0.011	23.388	-0.006	-0.006	0.000	0.000	0.000	0.000
340	A	418	ILE	0	-0.013	-0.014	25.095	-0.006	-0.006	0.000	0.000	0.000	0.000
341	A	419	ILE	0	-0.010	-0.004	28.838	-0.006	-0.006	0.000	0.000	0.000	0.000
342	A	420	ASN	0	0.059	0.035	30.428	-0.009	-0.009	0.000	0.000	0.000	0.000
343	A	421	ASN	0	-0.018	-0.002	29.429	-0.006	-0.006	0.000	0.000	0.000	0.000
344	A	422	LEU	0	0.019	0.000	32.094	-0.005	-0.005	0.000	0.000	0.000	0.000
345	A	423	LEU	0	-0.042	-0.015	34.704	-0.004	-0.004	0.000	0.000	0.000	0.000
346	A	424	ILE	0	-0.020	-0.005	34.905	-0.004	-0.004	0.000	0.000	0.000	0.000
347	A	425	HIS	0	-0.013	0.006	31.929	-0.005	-0.005	0.000	0.000	0.000	0.000
348	A	426	THR	0	-0.022	-0.021	34.775	0.000	0.000	0.000	0.000	0.000	0.000
349	A	427	PRO	0	0.001	-0.015	37.517	0.001	0.001	0.000	0.000	0.000	0.000
350	A	428	GLU	-1	-0.806	-0.866	39.821	0.032	0.032	0.000	0.000	0.000	0.000
351	A	429	SER	0	-0.032	-0.001	36.980	0.001	0.001	0.000	0.000	0.000	0.000
352	A	430	VAL	0	0.003	-0.014	38.890	-0.003	-0.003	0.000	0.000	0.000	0.000
353	A	431	LEU	0	-0.002	-0.008	39.596	-0.002	-0.002	0.000	0.000	0.000	0.000
354	A	432	TYR	0	0.033	0.030	39.412	-0.003	-0.003	0.000	0.000	0.000	0.000
355	A	433	LYS	1	0.864	0.952	42.239	-0.038	-0.038	0.000	0.000	0.000	0.000
356	A	434	ALA	0	0.017	0.008	44.379	-0.002	-0.002	0.000	0.000	0.000	0.000
357	A	435	LEU	0	-0.014	-0.015	43.544	-0.002	-0.002	0.000	0.000	0.000	0.000
358	A	436	THR	0	-0.035	-0.022	45.423	-0.002	-0.002	0.000	0.000	0.000	0.000
359	A	437	ASP	-1	-0.919	-0.970	48.039	0.027	0.027	0.000	0.000	0.000	0.000
360	A	438	CYS	0	-0.123	-0.025	50.075	-0.001	-0.001	0.000	0.000	0.000	0.000
361	A	439	GLY	0	0.025	0.015	51.793	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	440	LEU	0	0.038	0.002	52.115	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	441	GLY	0	-0.019	-0.022	52.010	-0.001	-0.001	0.000	0.000	0.000	0.000
364	A	442	ASN	0	-0.107	-0.056	51.548	0.000	0.000	0.000	0.000	0.000	0.000
365	A	443	ASN	0	0.007	-0.017	45.680	0.001	0.001	0.000	0.000	0.000	0.000
366	A	444	VAL	0	0.008	0.028	42.381	0.000	0.000	0.000	0.000	0.000	0.000
367	A	445	ILE	0	-0.050	-0.010	41.401	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	446	ASP	-1	-0.856	-0.956	38.532	0.029	0.029	0.000	0.000	0.000	0.000
369	A	447	ARG	1	0.874	0.940	31.459	-0.031	-0.031	0.000	0.000	0.000	0.000
370	A	448	GLY	0	0.043	0.028	34.741	0.002	0.002	0.000	0.000	0.000	0.000
371	A	449	LEU	0	-0.026	-0.023	28.267	-0.002	-0.002	0.000	0.000	0.000	0.000
372	A	450	ASN	0	-0.023	-0.010	31.280	-0.002	-0.002	0.000	0.000	0.000	0.000
373	A	451	ASP	-1	-0.794	-0.888	25.900	0.052	0.052	0.000	0.000	0.000	0.000
374	A	452	SER	0	-0.067	-0.026	27.090	0.000	0.000	0.000	0.000	0.000	0.000
375	A	453	LEU	0	-0.007	0.000	28.769	-0.005	-0.005	0.000	0.000	0.000	0.000
376	A	454	VAL	0	0.012	0.004	29.033	0.004	0.004	0.000	0.000	0.000	0.000
377	A	455	GLN	0	-0.086	-0.050	29.624	0.002	0.002	0.000	0.000	0.000	0.000
378	A	456	TYR	-1	-0.887	-0.945	25.140	0.071	0.071	0.000	0.000	0.000	0.000
379	A	457	ILE	0	0.007	0.005	31.461	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	458	PHE	0	-0.026	-0.013	33.576	0.002	0.002	0.000	0.000	0.000	0.000
381	A	459	SER	0	-0.037	-0.030	35.907	0.000	0.000	0.000	0.000	0.000	0.000
382	A	460	ILE	0	-0.038	-0.005	38.622	0.001	0.001	0.000	0.000	0.000	0.000
383	A	461	GLY	0	0.042	0.011	41.156	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	462	LEU	0	-0.047	-0.005	44.769	0.000	0.000	0.000	0.000	0.000	0.000
385	A	463	LYS	1	0.882	0.914	46.370	-0.014	-0.014	0.000	0.000	0.000	0.000
386	A	464	GLY	0	0.040	0.013	49.497	0.000	0.000	0.000	0.000	0.000	0.000
387	A	465	ILE	0	-0.027	0.008	51.047	0.000	0.000	0.000	0.000	0.000	0.000
388	A	466	LYS	1	0.844	0.919	54.461	-0.011	-0.011	0.000	0.000	0.000	0.000
389	A	467	ARG	1	0.955	0.965	58.142	-0.011	-0.011	0.000	0.000	0.000	0.000
390	A	468	ASN	0	-0.028	-0.025	61.173	0.000	0.000	0.000	0.000	0.000	0.000
391	A	469	ASN	0	-0.057	-0.020	56.306	0.000	0.000	0.000	0.000	0.000	0.000
392	A	470	GLU	-1	-0.822	-0.902	60.356	0.016	0.016	0.000	0.000	0.000	0.000
393	A	471	LYS	1	0.834	0.906	56.551	-0.017	-0.017	0.000	0.000	0.000	0.000
394	A	472	ILE	0	-0.075	-0.017	56.933	0.001	0.001	0.000	0.000	0.000	0.000
395	A	473	LYS	1	0.887	0.951	56.200	-0.023	-0.023	0.000	0.000	0.000	0.000
396	A	474	ASN	0	-0.014	-0.023	59.929	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	475	PHE	0	0.064	0.037	57.986	0.001	0.001	0.000	0.000	0.000	0.000
398	A	476	ASP	-1	-0.901	-0.946	58.482	0.015	0.015	0.000	0.000	0.000	0.000
399	A	477	LYS	1	0.835	0.894	57.193	-0.017	-0.017	0.000	0.000	0.000	0.000
400	A	478	VAL	0	0.076	0.053	54.209	0.001	0.001	0.000	0.000	0.000	0.000
401	A	479	HIS	0	0.019	0.005	51.305	0.001	0.001	0.000	0.000	0.000	0.000
402	A	480	TYR	0	0.020	0.004	51.106	0.001	0.001	0.000	0.000	0.000	0.000
403	A	481	GLU	-1	-0.831	-0.913	52.553	0.021	0.021	0.000	0.000	0.000	0.000
404	A	482	VAL	0	0.039	0.019	47.763	0.001	0.001	0.000	0.000	0.000	0.000
405	A	483	GLU	-1	-0.747	-0.840	47.414	0.031	0.031	0.000	0.000	0.000	0.000
406	A	484	ASP	-1	-0.922	-0.957	48.497	0.028	0.028	0.000	0.000	0.000	0.000
407	A	485	VAL	0	-0.012	-0.014	47.986	0.001	0.001	0.000	0.000	0.000	0.000
408	A	486	ILE	0	0.031	0.018	43.372	0.002	0.002	0.000	0.000	0.000	0.000
409	A	487	MET	0	-0.004	-0.003	45.129	0.003	0.003	0.000	0.000	0.000	0.000
410	A	488	ASN	0	-0.050	-0.026	46.601	0.003	0.003	0.000	0.000	0.000	0.000
411	A	489	ALA	0	0.017	0.016	44.619	0.001	0.001	0.000	0.000	0.000	0.000
412	A	490	LEU	0	-0.010	-0.007	40.257	0.002	0.002	0.000	0.000	0.000	0.000
413	A	491	LYS	1	0.904	0.935	43.238	-0.032	-0.032	0.000	0.000	0.000	0.000
414	A	492	LYS	1	0.823	0.900	45.632	-0.039	-0.039	0.000	0.000	0.000	0.000
415	A	493	VAL	0	0.013	0.006	39.555	0.001	0.001	0.000	0.000	0.000	0.000
416	A	494	VAL	0	-0.003	0.003	40.089	0.003	0.003	0.000	0.000	0.000	0.000
417	A	495	LYS	1	0.899	0.958	41.895	-0.040	-0.040	0.000	0.000	0.000	0.000
418	A	496	GLU	-1	-0.903	-0.937	44.061	0.042	0.042	0.000	0.000	0.000	0.000
419	A	497	GLY	0	-0.024	0.004	39.723	0.002	0.002	0.000	0.000	0.000	0.000
420	A	498	PHE	0	0.034	0.002	35.816	-0.002	-0.002	0.000	0.000	0.000	0.000
421	A	499	ASN	0	-0.012	-0.015	37.686	0.006	0.006	0.000	0.000	0.000	0.000
422	A	500	LYS	1	0.875	0.925	34.323	-0.071	-0.071	0.000	0.000	0.000	0.000
423	A	501	SER	0	0.028	-0.010	33.418	0.004	0.004	0.000	0.000	0.000	0.000
424	A	502	ALA	0	0.009	0.013	33.720	0.001	0.001	0.000	0.000	0.000	0.000
425	A	503	VAL	0	0.018	0.014	29.824	0.002	0.002	0.000	0.000	0.000	0.000
426	A	504	GLU	-1	-0.824	-0.889	29.171	0.092	0.092	0.000	0.000	0.000	0.000
427	A	505	ALA	0	0.002	-0.003	28.779	0.006	0.006	0.000	0.000	0.000	0.000
428	A	506	SER	0	-0.010	-0.020	29.520	0.000	0.000	0.000	0.000	0.000	0.000
429	A	507	ILE	0	-0.026	-0.005	23.982	0.002	0.002	0.000	0.000	0.000	0.000
430	A	508	ASN	0	-0.051	-0.034	24.808	0.015	0.015	0.000	0.000	0.000	0.000
431	A	509	ASN	0	-0.031	-0.017	25.262	0.004	0.004	0.000	0.000	0.000	0.000
432	A	510	ILE	0	0.040	0.024	22.726	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	511	GLU	-1	-0.771	-0.889	20.370	0.191	0.191	0.000	0.000	0.000	0.000
434	A	512	PHE	0	-0.049	-0.016	20.587	0.005	0.005	0.000	0.000	0.000	0.000
435	A	513	ILE	0	-0.008	-0.007	22.216	-0.007	-0.007	0.000	0.000	0.000	0.000
436	A	514	LEU	0	0.021	0.014	18.310	-0.011	-0.011	0.000	0.000	0.000	0.000
437	A	515	LYS	1	0.853	0.937	17.312	-0.148	-0.148	0.000	0.000	0.000	0.000
438	A	516	GLU	-1	-0.777	-0.876	18.477	0.014	0.014	0.000	0.000	0.000	0.000
439	A	517	ALA	0	0.032	0.034	19.342	-0.019	-0.019	0.000	0.000	0.000	0.000
440	A	518	ASN	0	0.011	0.003	12.931	-0.051	-0.051	0.000	0.000	0.000	0.000
441	A	519	LEU	0	-0.065	-0.033	17.251	-0.024	-0.024	0.000	0.000	0.000	0.000
442	A	520	LYS	1	0.817	0.896	19.758	-0.022	-0.022	0.000	0.000	0.000	0.000
443	A	521	THR	0	0.000	-0.031	21.489	-0.013	-0.013	0.000	0.000	0.000	0.000
444	A	522	SER	0	-0.018	0.002	23.702	0.012	0.012	0.000	0.000	0.000	0.000
445	A	523	LYS	1	0.786	0.900	15.790	0.087	0.087	0.000	0.000	0.000	0.000
446	A	524	SER	0	-0.055	-0.039	19.720	0.011	0.011	0.000	0.000	0.000	0.000
447	A	525	ILE	0	0.035	0.003	20.755	0.002	0.002	0.000	0.000	0.000	0.000
448	A	526	ASP	-1	-0.846	-0.929	22.643	0.006	0.006	0.000	0.000	0.000	0.000
449	A	527	PHE	0	-0.051	-0.030	15.914	0.006	0.006	0.000	0.000	0.000	0.000
450	A	528	VAL	0	0.025	0.017	19.617	0.005	0.005	0.000	0.000	0.000	0.000
451	A	529	PHE	0	-0.010	0.009	21.618	0.005	0.005	0.000	0.000	0.000	0.000
452	A	530	GLU	-1	-0.783	-0.866	19.241	0.065	0.065	0.000	0.000	0.000	0.000
453	A	531	MET	0	-0.046	-0.016	15.022	-0.003	-0.003	0.000	0.000	0.000	0.000
454	A	532	THR	0	-0.050	-0.052	19.997	0.005	0.005	0.000	0.000	0.000	0.000
455	A	533	SER	0	-0.046	-0.025	23.152	0.004	0.004	0.000	0.000	0.000	0.000
456	A	534	LYS	1	0.855	0.918	20.115	-0.061	-0.061	0.000	0.000	0.000	0.000
457	A	535	LEU	0	0.030	0.010	19.240	0.001	0.001	0.000	0.000	0.000	0.000
458	A	536	ASN	0	-0.049	-0.016	22.735	-0.004	-0.004	0.000	0.000	0.000	0.000
459	A	537	TYR	0	-0.038	-0.053	25.536	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	538	ASN	0	-0.087	-0.039	23.612	0.001	0.001	0.000	0.000	0.000	0.000
461	A	539	ARG	1	0.796	0.877	21.520	-0.057	-0.057	0.000	0.000	0.000	0.000
462	A	540	ASP	-1	-0.777	-0.866	14.975	0.118	0.118	0.000	0.000	0.000	0.000
463	A	541	PRO	0	0.009	0.001	15.555	0.003	0.003	0.000	0.000	0.000	0.000
464	A	542	LEU	0	-0.015	-0.028	10.482	-0.013	-0.013	0.000	0.000	0.000	0.000
465	A	543	LEU	0	-0.007	0.015	14.192	0.030	0.030	0.000	0.000	0.000	0.000
466	A	544	ILE	0	0.017	0.008	16.572	0.023	0.023	0.000	0.000	0.000	0.000
467	A	545	PHE	0	-0.007	-0.012	12.706	0.001	0.001	0.000	0.000	0.000	0.000
468	A	546	GLU	-1	-0.849	-0.905	10.607	0.316	0.316	0.000	0.000	0.000	0.000
469	A	547	PHE	0	0.036	0.007	12.881	0.016	0.016	0.000	0.000	0.000	0.000
470	A	548	GLU	-1	-0.889	-0.947	13.211	0.301	0.301	0.000	0.000	0.000	0.000
471	A	549	LYS	1	0.813	0.920	12.208	-0.337	-0.337	0.000	0.000	0.000	0.000
472	A	550	TYR	0	0.037	0.011	14.783	-0.014	-0.014	0.000	0.000	0.000	0.000
473	A	551	LEU	0	0.050	0.026	18.390	-0.021	-0.021	0.000	0.000	0.000	0.000
474	A	552	ASN	0	-0.073	-0.053	16.502	-0.042	-0.042	0.000	0.000	0.000	0.000
475	A	553	ILE	0	-0.004	0.014	18.386	-0.015	-0.015	0.000	0.000	0.000	0.000
476	A	554	VAL	0	0.020	0.009	21.340	-0.017	-0.017	0.000	0.000	0.000	0.000
477	A	555	LYS	1	0.823	0.908	20.031	-0.225	-0.225	0.000	0.000	0.000	0.000
478	A	556	ASN	0	-0.062	-0.048	21.757	-0.021	-0.021	0.000	0.000	0.000	0.000
479	A	557	LYS	1	0.829	0.903	25.114	-0.136	-0.136	0.000	0.000	0.000	0.000
480	A	558	ILE	0	-0.002	-0.007	27.033	-0.010	-0.010	0.000	0.000	0.000	0.000
481	A	559	LYS	1	0.866	0.952	27.158	-0.134	-0.134	0.000	0.000	0.000	0.000
482	A	560	ASN	0	-0.020	-0.016	26.756	-0.011	-0.011	0.000	0.000	0.000	0.000
483	A	561	GLU	-1	-0.820	-0.880	28.983	0.115	0.115	0.000	0.000	0.000	0.000
484	A	562	PRO	0	-0.006	-0.011	32.405	-0.003	-0.003	0.000	0.000	0.000	0.000
485	A	563	MET	0	-0.007	0.000	35.880	-0.001	-0.001	0.000	0.000	0.000	0.000
486	A	564	TYR	0	0.032	0.033	27.761	-0.002	-0.002	0.000	0.000	0.000	0.000
487	A	565	LEU	0	0.043	0.018	29.633	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	566	GLU	-1	-0.760	-0.880	33.476	0.071	0.071	0.000	0.000	0.000	0.000
489	A	567	LYS	1	0.923	0.949	35.858	-0.078	-0.078	0.000	0.000	0.000	0.000
490	A	568	PHE	0	0.044	0.028	29.877	-0.003	-0.003	0.000	0.000	0.000	0.000
491	A	569	VAL	0	0.019	0.005	34.818	-0.003	-0.003	0.000	0.000	0.000	0.000
492	A	570	GLU	-1	-0.947	-0.988	37.329	0.050	0.050	0.000	0.000	0.000	0.000
493	A	571	LYN	0	-0.066	-0.015	34.604	-0.003	-0.003	0.000	0.000	0.000	0.000
494	A	572	HIS	0	0.036	0.013	32.843	-0.002	-0.002	0.000	0.000	0.000	0.000
495	A	573	PHE	0	0.002	0.001	34.345	-0.002	-0.002	0.000	0.000	0.000	0.000
496	A	574	ILE	0	-0.056	-0.018	39.569	-0.003	-0.003	0.000	0.000	0.000	0.000
497	A	575	ASN	0	-0.049	-0.045	42.178	-0.004	-0.004	0.000	0.000	0.000	0.000
498	A	576	ASN	0	-0.018	0.005	38.249	-0.003	-0.003	0.000	0.000	0.000	0.000
499	A	577	ALA	0	0.004	-0.009	41.840	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	578	HIS	0	0.003	0.013	40.505	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	579	ARG	1	0.837	0.901	41.362	-0.034	-0.034	0.000	0.000	0.000	0.000
502	A	580	SER	0	0.032	0.027	43.597	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	581	VAL	0	-0.029	-0.014	45.319	0.001	0.001	0.000	0.000	0.000	0.000
504	A	582	ILE	0	0.022	0.010	45.466	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	583	LEU	0	-0.022	-0.016	49.137	0.000	0.000	0.000	0.000	0.000	0.000
506	A	584	LEU	0	-0.002	-0.003	48.144	-0.001	-0.001	0.000	0.000	0.000	0.000
507	A	585	GLU	-1	-0.835	-0.921	52.086	0.013	0.013	0.000	0.000	0.000	0.000
508	A	586	GLY	0	0.048	0.027	55.659	0.000	0.000	0.000	0.000	0.000	0.000
509	A	587	ASP	-1	-0.860	-0.939	56.529	0.009	0.009	0.000	0.000	0.000	0.000
510	A	588	GLU	-1	-0.788	-0.869	59.424	0.005	0.005	0.000	0.000	0.000	0.000
511	A	589	ASN	0	-0.085	-0.047	62.220	-0.001	-0.001	0.000	0.000	0.000	0.000
512	A	590	TYR	0	0.061	0.032	53.201	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	591	ALA	0	0.024	0.002	57.534	0.000	0.000	0.000	0.000	0.000	0.000
514	A	592	GLN	0	-0.027	-0.016	58.521	-0.001	-0.001	0.000	0.000	0.000	0.000
515	A	593	GLU	-1	-0.902	-0.965	60.542	0.007	0.007	0.000	0.000	0.000	0.000
516	A	594	GLN	0	0.025	0.017	55.485	0.000	0.000	0.000	0.000	0.000	0.000
517	A	595	GLU	-1	-0.810	-0.890	57.402	0.001	0.001	0.000	0.000	0.000	0.000
518	A	596	ASN	0	-0.039	-0.017	60.182	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	597	LEU	0	-0.009	-0.001	58.909	0.000	0.000	0.000	0.000	0.000	0.000
520	A	598	GLU	-1	-0.815	-0.876	56.089	0.000	0.000	0.000	0.000	0.000	0.000
521	A	599	LYS	1	0.894	0.943	59.611	-0.001	-0.001	0.000	0.000	0.000	0.000
522	A	600	GLN	0	0.007	0.009	63.120	0.000	0.000	0.000	0.000	0.000	0.000
523	A	601	GLU	-1	-0.755	-0.845	58.313	0.002	0.002	0.000	0.000	0.000	0.000
524	A	602	LEU	0	-0.015	-0.015	59.581	0.000	0.000	0.000	0.000	0.000	0.000
525	A	603	LYS	1	0.824	0.916	62.477	-0.002	-0.002	0.000	0.000	0.000	0.000
526	A	604	LYS	1	0.886	0.941	60.501	-0.003	-0.003	0.000	0.000	0.000	0.000
527	A	605	ARG	1	0.759	0.863	56.325	0.000	0.000	0.000	0.000	0.000	0.000
528	A	606	ILE	0	-0.009	-0.004	63.924	0.000	0.000	0.000	0.000	0.000	0.000
529	A	607	GLU	-1	-0.912	-0.982	66.933	0.001	0.001	0.000	0.000	0.000	0.000
530	A	608	ASN	0	-0.088	-0.049	65.781	0.000	0.000	0.000	0.000	0.000	0.000
531	A	609	PHE	0	-0.016	0.013	61.439	0.000	0.000	0.000	0.000	0.000	0.000
532	A	610	ASN	0	0.023	-0.008	67.086	0.000	0.000	0.000	0.000	0.000	0.000
533	A	611	GLU	-1	-0.803	-0.903	69.172	-0.003	-0.003	0.000	0.000	0.000	0.000
534	A	612	GLN	0	0.072	0.031	65.750	0.000	0.000	0.000	0.000	0.000	0.000
535	A	613	GLU	-1	-0.848	-0.903	64.629	-0.003	-0.003	0.000	0.000	0.000	0.000
536	A	614	LYS	1	0.798	0.884	65.316	0.001	0.001	0.000	0.000	0.000	0.000
537	A	615	GLU	-1	-0.863	-0.922	66.653	-0.005	-0.005	0.000	0.000	0.000	0.000
538	A	616	GLN	0	-0.021	-0.006	60.975	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	617	VAL	0	-0.021	-0.009	61.303	-0.001	-0.001	0.000	0.000	0.000	0.000
540	A	618	ILE	0	-0.003	0.009	62.106	0.000	0.000	0.000	0.000	0.000	0.000
541	A	619	LYS	1	1.009	1.003	63.619	0.008	0.008	0.000	0.000	0.000	0.000
542	A	620	ASN	0	-0.073	-0.058	56.517	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	621	PHE	0	0.042	0.029	58.211	-0.001	-0.001	0.000	0.000	0.000	0.000
544	A	622	GLU	-1	-0.850	-0.923	59.977	-0.008	-0.008	0.000	0.000	0.000	0.000
545	A	623	GLU	-1	-0.933	-0.956	59.095	-0.012	-0.012	0.000	0.000	0.000	0.000
546	A	624	LEU	0	-0.001	0.017	53.295	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	625	SER	0	-0.023	-0.017	56.124	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	626	LYS	1	0.802	0.887	58.172	0.011	0.011	0.000	0.000	0.000	0.000
549	A	627	TYR	0	0.016	0.002	48.524	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	628	LYS	1	0.882	0.932	53.156	0.009	0.009	0.000	0.000	0.000	0.000
551	A	629	ASN	0	-0.024	-0.025	53.762	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	630	ALA	0	-0.026	0.016	54.370	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	631	GLU	-1	-0.819	-0.876	53.830	-0.022	-0.022	0.000	0.000	0.000	0.000
554	A	632	GLU	-1	-0.840	-0.923	48.166	-0.027	-0.027	0.000	0.000	0.000	0.000
555	A	633	SER	0	0.002	-0.004	52.188	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	634	PRO	0	0.114	0.045	51.230	-0.001	-0.001	0.000	0.000	0.000	0.000
557	A	635	GLU	-1	-0.855	-0.926	50.209	-0.034	-0.034	0.000	0.000	0.000	0.000
558	A	636	HIS	0	-0.088	-0.034	46.409	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	637	LEU	0	0.083	0.047	46.502	-0.002	-0.002	0.000	0.000	0.000	0.000
560	A	638	ASN	0	-0.052	-0.032	45.503	-0.003	-0.003	0.000	0.000	0.000	0.000
561	A	639	LYS	1	0.838	0.918	44.208	0.034	0.034	0.000	0.000	0.000	0.000
562	A	640	PHE	0	0.009	0.026	38.794	-0.002	-0.002	0.000	0.000	0.000	0.000
563	A	641	PRO	0	-0.009	-0.007	36.694	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	642	ILE	0	0.014	0.016	38.077	0.002	0.002	0.000	0.000	0.000	0.000
565	A	643	ILE	0	-0.020	0.001	33.693	-0.005	-0.005	0.000	0.000	0.000	0.000
566	A	644	SER	0	-0.002	-0.022	36.969	0.004	0.004	0.000	0.000	0.000	0.000
567	A	645	ILE	0	0.104	0.025	37.938	-0.003	-0.003	0.000	0.000	0.000	0.000
568	A	646	SER	0	-0.091	-0.052	37.552	-0.003	-0.003	0.000	0.000	0.000	0.000
569	A	647	ASP	-1	-0.764	-0.830	33.738	-0.093	-0.093	0.000	0.000	0.000	0.000
570	A	648	LEU	0	0.034	0.034	33.607	-0.003	-0.003	0.000	0.000	0.000	0.000
571	A	649	ASN	0	-0.041	-0.030	31.404	-0.007	-0.007	0.000	0.000	0.000	0.000
572	A	650	LYS	1	0.892	0.929	34.777	0.085	0.085	0.000	0.000	0.000	0.000
573	A	651	LYS	1	0.815	0.905	36.473	0.062	0.062	0.000	0.000	0.000	0.000
574	A	652	THR	0	0.039	0.032	35.793	-0.005	-0.005	0.000	0.000	0.000	0.000
575	A	653	LEU	0	0.023	0.026	29.653	0.001	0.001	0.000	0.000	0.000	0.000
576	A	654	GLU	-1	-0.792	-0.881	33.820	-0.039	-0.039	0.000	0.000	0.000	0.000
577	A	655	VAL	0	-0.032	-0.016	31.435	-0.005	-0.005	0.000	0.000	0.000	0.000
578	A	656	PRO	0	-0.002	0.000	31.381	0.005	0.005	0.000	0.000	0.000	0.000
579	A	657	VAL	0	0.007	-0.001	33.090	0.002	0.002	0.000	0.000	0.000	0.000
580	A	658	ASN	0	-0.031	-0.006	33.243	-0.002	-0.002	0.000	0.000	0.000	0.000
581	A	659	VAL	0	0.012	0.005	36.364	0.004	0.004	0.000	0.000	0.000	0.000
582	A	660	TYR	0	-0.011	-0.036	37.335	-0.001	-0.001	0.000	0.000	0.000	0.000
583	A	661	PHE	0	0.000	0.011	40.209	0.002	0.002	0.000	0.000	0.000	0.000
584	A	662	THR	0	0.019	0.011	41.314	0.000	0.000	0.000	0.000	0.000	0.000
585	A	663	ASN	0	0.017	0.022	44.155	0.002	0.002	0.000	0.000	0.000	0.000
586	A	664	ILE	0	0.023	0.005	41.192	0.001	0.001	0.000	0.000	0.000	0.000
587	A	665	ASN	0	0.052	0.037	43.857	0.000	0.000	0.000	0.000	0.000	0.000
588	A	666	GLU	-1	-0.842	-0.917	46.676	0.004	0.004	0.000	0.000	0.000	0.000
589	A	667	ASN	0	-0.052	-0.037	42.142	0.001	0.001	0.000	0.000	0.000	0.000
590	A	668	ASN	0	0.029	0.004	43.047	0.002	0.002	0.000	0.000	0.000	0.000
591	A	669	ASN	0	-0.014	-0.006	37.894	0.002	0.002	0.000	0.000	0.000	0.000
592	A	670	ILE	0	0.053	0.053	37.482	-0.003	-0.003	0.000	0.000	0.000	0.000
593	A	671	MET	0	0.039	0.040	30.487	-0.002	-0.002	0.000	0.000	0.000	0.000
594	A	672	GLU	-1	-0.825	-0.897	35.819	-0.015	-0.015	0.000	0.000	0.000	0.000
595	A	673	THR	0	-0.035	-0.011	37.574	-0.003	-0.003	0.000	0.000	0.000	0.000
596	A	674	TYR	0	-0.026	-0.042	32.048	-0.003	-0.003	0.000	0.000	0.000	0.000
597	A	675	ASN	0	0.009	-0.014	33.260	-0.005	-0.005	0.000	0.000	0.000	0.000
598	A	676	LYS	1	0.878	0.940	35.587	0.008	0.008	0.000	0.000	0.000	0.000
599	A	677	LEU	0	0.000	0.012	38.536	-0.003	-0.003	0.000	0.000	0.000	0.000
600	A	678	LYS	1	0.824	0.893	30.226	0.035	0.035	0.000	0.000	0.000	0.000
601	A	679	THR	0	-0.057	-0.020	35.723	-0.004	-0.004	0.000	0.000	0.000	0.000
602	A	680	ASN	0	-0.008	-0.001	37.946	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	681	GLU	-1	-0.854	-0.935	39.448	-0.044	-0.044	0.000	0.000	0.000	0.000
604	A	682	HIS	0	-0.031	-0.007	41.603	0.000	0.000	0.000	0.000	0.000	0.000
605	A	683	MET	0	-0.029	-0.019	43.371	0.002	0.002	0.000	0.000	0.000	0.000
606	A	684	LEU	0	0.015	0.004	37.751	0.002	0.002	0.000	0.000	0.000	0.000
607	A	685	LYS	1	0.851	0.917	41.916	0.027	0.027	0.000	0.000	0.000	0.000
608	A	686	ASP	-1	-0.861	-0.931	44.668	-0.018	-0.018	0.000	0.000	0.000	0.000
609	A	687	ASN	0	-0.025	-0.018	41.878	0.003	0.003	0.000	0.000	0.000	0.000
610	A	688	MET	0	0.045	0.034	40.384	0.002	0.002	0.000	0.000	0.000	0.000
611	A	689	ASP	-1	-0.822	-0.895	44.419	-0.023	-0.023	0.000	0.000	0.000	0.000
612	A	690	VAL	0	-0.064	-0.039	48.085	0.001	0.001	0.000	0.000	0.000	0.000
613	A	691	PHE	0	0.024	0.009	42.698	0.001	0.001	0.000	0.000	0.000	0.000
614	A	692	LEU	0	0.043	0.019	45.199	0.001	0.001	0.000	0.000	0.000	0.000
615	A	693	LYS	1	0.922	0.957	47.915	0.016	0.016	0.000	0.000	0.000	0.000
616	A	694	LYS	1	0.786	0.879	49.807	0.007	0.007	0.000	0.000	0.000	0.000
617	A	695	TYR	0	-0.002	-0.007	46.804	0.001	0.001	0.000	0.000	0.000	0.000
618	A	696	VAL	0	0.004	0.026	45.769	0.000	0.000	0.000	0.000	0.000	0.000
619	A	697	LEU	0	-0.031	-0.011	48.846	0.000	0.000	0.000	0.000	0.000	0.000
620	A	698	LYS	1	0.889	0.951	51.644	0.012	0.012	0.000	0.000	0.000	0.000
621	A	721	THR	0	0.068	0.014	55.517	0.000	0.000	0.000	0.000	0.000	0.000
622	A	722	LYS	1	0.841	0.922	48.356	0.016	0.016	0.000	0.000	0.000	0.000
623	A	723	TYR	0	0.019	-0.006	46.556	0.000	0.000	0.000	0.000	0.000	0.000
624	A	724	GLU	-1	-0.787	-0.872	50.628	-0.005	-0.005	0.000	0.000	0.000	0.000
625	A	725	GLY	0	0.041	0.028	51.319	0.000	0.000	0.000	0.000	0.000	0.000
626	A	726	ASN	0	-0.114	-0.085	46.887	0.001	0.001	0.000	0.000	0.000	0.000
627	A	727	VAL	0	0.049	0.029	43.050	0.000	0.000	0.000	0.000	0.000	0.000
628	A	728	PRO	0	-0.016	0.014	42.887	-0.001	-0.001	0.000	0.000	0.000	0.000
629	A	729	ILE	0	-0.001	-0.011	36.661	0.002	0.002	0.000	0.000	0.000	0.000
630	A	730	LEU	0	0.002	-0.003	36.937	-0.003	-0.003	0.000	0.000	0.000	0.000
631	A	731	VAL	0	-0.022	-0.013	31.910	0.002	0.002	0.000	0.000	0.000	0.000
632	A	732	TYR	0	0.006	-0.019	30.348	-0.003	-0.003	0.000	0.000	0.000	0.000
633	A	733	GLU	-1	-0.776	-0.866	27.677	-0.032	-0.032	0.000	0.000	0.000	0.000
634	A	734	MET	0	-0.030	-0.012	25.249	-0.008	-0.008	0.000	0.000	0.000	0.000
635	A	735	PRO	0	0.004	0.004	19.609	0.010	0.010	0.000	0.000	0.000	0.000
636	A	736	THR	0	-0.046	-0.038	21.409	-0.003	-0.003	0.000	0.000	0.000	0.000
637	A	737	THR	0	-0.026	-0.001	15.338	0.010	0.010	0.000	0.000	0.000	0.000
638	A	738	GLY	0	0.008	0.006	18.278	0.032	0.032	0.000	0.000	0.000	0.000
639	A	739	ILE	0	0.015	0.012	20.418	0.014	0.014	0.000	0.000	0.000	0.000
640	A	740	VAL	0	-0.063	-0.012	23.247	-0.010	-0.010	0.000	0.000	0.000	0.000
641	A	741	TYR	0	-0.036	-0.038	24.348	0.002	0.002	0.000	0.000	0.000	0.000
642	A	742	LEU	0	0.000	-0.006	29.325	-0.004	-0.004	0.000	0.000	0.000	0.000
643	A	743	GLN	0	0.056	0.038	32.997	0.001	0.001	0.000	0.000	0.000	0.000
644	A	744	PHE	0	0.017	0.010	36.205	-0.002	-0.002	0.000	0.000	0.000	0.000
645	A	745	VAL	0	-0.001	-0.005	39.470	0.001	0.001	0.000	0.000	0.000	0.000
646	A	746	PHE	0	0.029	0.023	42.136	0.000	0.000	0.000	0.000	0.000	0.000
647	A	747	SER	0	-0.016	-0.016	45.966	0.000	0.000	0.000	0.000	0.000	0.000
648	A	748	LEU	0	0.024	0.000	47.717	0.001	0.001	0.000	0.000	0.000	0.000
649	A	749	ASP	-1	-0.838	-0.894	51.097	-0.005	-0.005	0.000	0.000	0.000	0.000
650	A	750	HIS	0	-0.012	-0.006	51.701	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	751	LEU	0	-0.020	-0.009	51.918	0.001	0.001	0.000	0.000	0.000	0.000
652	A	752	THR	0	0.051	0.017	55.855	-0.001	-0.001	0.000	0.000	0.000	0.000
653	A	753	VAL	0	-0.011	-0.040	56.805	0.000	0.000	0.000	0.000	0.000	0.000
654	A	754	ASP	-1	-0.910	-0.941	57.033	0.003	0.003	0.000	0.000	0.000	0.000
655	A	755	GLU	-1	-0.797	-0.885	54.852	0.005	0.005	0.000	0.000	0.000	0.000
656	A	756	LEU	0	-0.024	-0.018	51.954	0.001	0.001	0.000	0.000	0.000	0.000
657	A	757	ALA	0	0.044	0.027	51.933	0.000	0.000	0.000	0.000	0.000	0.000
658	A	758	TYR	0	0.015	0.009	52.641	0.001	0.001	0.000	0.000	0.000	0.000
659	A	759	LEU	0	-0.037	-0.005	48.176	0.001	0.001	0.000	0.000	0.000	0.000
660	A	760	ASN	0	0.027	0.015	46.509	0.002	0.002	0.000	0.000	0.000	0.000
661	A	761	LEU	0	0.053	0.036	46.729	0.002	0.002	0.000	0.000	0.000	0.000
662	A	762	PHE	0	0.024	0.006	47.385	0.002	0.002	0.000	0.000	0.000	0.000
663	A	763	LYS	1	0.829	0.899	41.478	-0.008	-0.008	0.000	0.000	0.000	0.000
664	A	764	THR	0	-0.010	-0.006	42.727	0.001	0.001	0.000	0.000	0.000	0.000
665	A	765	LEU	0	0.029	0.011	43.440	0.002	0.002	0.000	0.000	0.000	0.000
666	A	766	ILE	0	-0.030	-0.020	42.821	0.002	0.002	0.000	0.000	0.000	0.000
667	A	767	LEU	0	-0.026	-0.004	38.528	0.001	0.001	0.000	0.000	0.000	0.000
668	A	768	GLU	-1	-0.775	-0.862	39.814	0.029	0.029	0.000	0.000	0.000	0.000
669	A	769	ASN	0	0.023	0.011	42.105	0.001	0.001	0.000	0.000	0.000	0.000
670	A	770	LYS	1	0.866	0.928	44.547	-0.022	-0.022	0.000	0.000	0.000	0.000
671	A	771	THR	0	-0.020	-0.028	44.412	-0.002	-0.002	0.000	0.000	0.000	0.000
672	A	772	ASN	0	-0.067	-0.051	47.597	0.000	0.000	0.000	0.000	0.000	0.000
673	A	773	LYS	1	0.825	0.900	44.357	-0.031	-0.031	0.000	0.000	0.000	0.000
674	A	774	ARG	1	0.805	0.895	41.843	-0.037	-0.037	0.000	0.000	0.000	0.000
675	A	775	SER	0	-0.002	-0.027	44.900	-0.002	-0.002	0.000	0.000	0.000	0.000
676	A	776	SER	0	0.007	-0.031	43.943	0.001	0.001	0.000	0.000	0.000	0.000
677	A	777	GLU	-1	-0.835	-0.913	41.079	0.046	0.046	0.000	0.000	0.000	0.000
678	A	778	ASP	-1	-0.834	-0.890	40.036	0.044	0.044	0.000	0.000	0.000	0.000
679	A	779	PHE	0	-0.038	-0.021	39.496	0.003	0.003	0.000	0.000	0.000	0.000
680	A	780	VAL	0	0.011	0.007	37.014	0.001	0.001	0.000	0.000	0.000	0.000
681	A	781	ILE	0	0.009	0.014	35.220	0.003	0.003	0.000	0.000	0.000	0.000
682	A	782	LEU	0	-0.046	-0.025	34.596	0.005	0.005	0.000	0.000	0.000	0.000
683	A	783	ARG	1	0.848	0.906	34.399	-0.038	-0.038	0.000	0.000	0.000	0.000
684	A	784	GLU	-1	-0.747	-0.847	31.569	0.055	0.055	0.000	0.000	0.000	0.000
685	A	785	LYS	1	0.795	0.907	30.066	-0.073	-0.073	0.000	0.000	0.000	0.000
686	A	786	ASN	0	-0.061	-0.038	29.688	0.013	0.013	0.000	0.000	0.000	0.000
687	A	787	ILE	0	-0.054	-0.038	29.870	0.000	0.000	0.000	0.000	0.000	0.000
688	A	788	GLY	0	0.033	0.023	27.021	-0.001	-0.001	0.000	0.000	0.000	0.000
689	A	789	SER	0	0.029	0.013	27.987	-0.003	-0.003	0.000	0.000	0.000	0.000
690	A	790	MET	0	-0.020	-0.007	30.337	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	791	SER	0	-0.021	-0.005	34.002	-0.002	-0.002	0.000	0.000	0.000	0.000
692	A	792	ALA	0	0.069	0.039	36.725	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	793	ASN	0	-0.035	-0.008	37.564	-0.001	-0.001	0.000	0.000	0.000	0.000
694	A	794	VAL	0	0.053	0.035	41.238	0.000	0.000	0.000	0.000	0.000	0.000
695	A	795	ALA	0	-0.016	0.010	42.112	0.000	0.000	0.000	0.000	0.000	0.000
696	A	796	LEU	0	0.005	0.003	44.215	0.001	0.001	0.000	0.000	0.000	0.000
697	A	797	TYR	0	-0.027	-0.013	45.527	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	798	SER	0	0.021	-0.011	47.468	0.001	0.001	0.000	0.000	0.000	0.000
699	A	799	LYS	1	0.841	0.915	48.731	0.016	0.016	0.000	0.000	0.000	0.000
700	A	800	ASP	-1	-0.817	-0.914	46.444	-0.021	-0.021	0.000	0.000	0.000	0.000
701	A	801	ASP	-1	-0.878	-0.936	49.993	-0.018	-0.018	0.000	0.000	0.000	0.000
702	A	802	HIS	1	0.829	0.899	49.692	0.024	0.024	0.000	0.000	0.000	0.000
703	A	803	LEU	0	0.030	0.016	48.091	-0.001	-0.001	0.000	0.000	0.000	0.000
704	A	804	ASN	0	-0.061	-0.031	51.745	0.000	0.000	0.000	0.000	0.000	0.000
705	A	805	VAL	0	-0.020	0.005	53.806	0.000	0.000	0.000	0.000	0.000	0.000
706	A	806	THR	0	-0.008	0.002	52.277	0.001	0.001	0.000	0.000	0.000	0.000
707	A	807	ASP	-1	-0.823	-0.933	55.392	-0.011	-0.011	0.000	0.000	0.000	0.000
708	A	808	LYS	1	0.780	0.863	56.872	0.009	0.009	0.000	0.000	0.000	0.000
709	A	809	TYR	0	-0.008	-0.021	58.359	0.001	0.001	0.000	0.000	0.000	0.000
710	A	810	ASN	0	-0.012	0.013	53.307	0.001	0.001	0.000	0.000	0.000	0.000
711	A	811	ALA	0	-0.008	0.013	52.298	-0.001	-0.001	0.000	0.000	0.000	0.000
712	A	812	GLN	0	-0.019	-0.009	50.167	0.000	0.000	0.000	0.000	0.000	0.000
713	A	813	ALA	0	0.020	0.004	48.246	0.000	0.000	0.000	0.000	0.000	0.000
714	A	814	LEU	0	-0.005	0.004	43.366	0.000	0.000	0.000	0.000	0.000	0.000
715	A	815	PHE	0	0.051	0.013	42.910	0.001	0.001	0.000	0.000	0.000	0.000
716	A	816	ASN	0	-0.028	-0.033	37.211	0.001	0.001	0.000	0.000	0.000	0.000
717	A	817	LEU	0	0.021	0.020	38.648	0.001	0.001	0.000	0.000	0.000	0.000
718	A	818	GLU	-1	-0.792	-0.868	32.343	0.006	0.006	0.000	0.000	0.000	0.000
719	A	819	MET	0	-0.031	-0.010	32.536	0.004	0.004	0.000	0.000	0.000	0.000
720	A	820	HIS	1	0.769	0.857	27.182	-0.027	-0.027	0.000	0.000	0.000	0.000
721	A	821	VAL	0	0.047	0.024	27.540	0.004	0.004	0.000	0.000	0.000	0.000
722	A	822	LEU	0	0.082	0.038	21.563	-0.002	-0.002	0.000	0.000	0.000	0.000
723	A	823	SER	0	0.017	-0.002	23.671	-0.002	-0.002	0.000	0.000	0.000	0.000
724	A	824	HIS	0	0.009	0.003	23.978	-0.014	-0.014	0.000	0.000	0.000	0.000
725	A	825	LYS	1	0.845	0.908	27.049	-0.082	-0.082	0.000	0.000	0.000	0.000
726	A	826	CYS	0	-0.055	-0.015	28.831	-0.007	-0.007	0.000	0.000	0.000	0.000
727	A	827	ASN	0	0.084	0.043	31.358	-0.008	-0.008	0.000	0.000	0.000	0.000
728	A	828	ASP	-1	-0.831	-0.899	32.561	0.060	0.060	0.000	0.000	0.000	0.000
729	A	829	ALA	0	0.039	0.017	32.390	-0.002	-0.002	0.000	0.000	0.000	0.000
730	A	830	LEU	0	-0.022	-0.006	34.441	-0.004	-0.004	0.000	0.000	0.000	0.000
731	A	831	ASN	0	-0.010	-0.013	37.124	-0.005	-0.005	0.000	0.000	0.000	0.000
732	A	832	ILE	0	-0.025	-0.004	35.015	-0.002	-0.002	0.000	0.000	0.000	0.000
733	A	833	ALA	0	0.011	0.000	38.120	-0.002	-0.002	0.000	0.000	0.000	0.000
734	A	834	LEU	0	0.002	0.001	39.872	-0.002	-0.002	0.000	0.000	0.000	0.000
735	A	835	GLU	-1	-0.760	-0.829	42.299	0.033	0.033	0.000	0.000	0.000	0.000
736	A	836	ALA	0	0.000	-0.002	41.080	-0.001	-0.001	0.000	0.000	0.000	0.000
737	A	837	VAL	0	-0.027	0.005	43.124	-0.002	-0.002	0.000	0.000	0.000	0.000
738	A	838	LYS	1	0.795	0.904	45.635	-0.018	-0.018	0.000	0.000	0.000	0.000
739	A	839	GLU	-1	-0.884	-0.942	46.808	0.021	0.021	0.000	0.000	0.000	0.000
740	A	840	SER	0	0.015	0.023	46.380	0.001	0.001	0.000	0.000	0.000	0.000
741	A	841	ASP	-1	-0.736	-0.833	48.113	0.019	0.019	0.000	0.000	0.000	0.000
742	A	842	PHE	0	0.001	-0.014	48.966	0.000	0.000	0.000	0.000	0.000	0.000
743	A	843	SER	0	-0.040	-0.040	52.768	-0.001	-0.001	0.000	0.000	0.000	0.000
744	A	844	ASN	0	-0.039	-0.016	49.384	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	845	LYS	1	0.825	0.894	52.724	-0.014	-0.014	0.000	0.000	0.000	0.000
746	A	846	LYS	1	0.816	0.902	49.641	-0.025	-0.025	0.000	0.000	0.000	0.000
747	A	847	LYS	1	0.835	0.915	44.283	-0.028	-0.028	0.000	0.000	0.000	0.000
748	A	848	VAL	0	0.015	-0.001	49.247	0.000	0.000	0.000	0.000	0.000	0.000
749	A	849	ILE	0	0.015	0.011	51.445	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	850	ASP	-1	-0.822	-0.901	48.162	0.022	0.022	0.000	0.000	0.000	0.000
751	A	851	ILE	0	-0.060	-0.034	45.757	0.000	0.000	0.000	0.000	0.000	0.000
752	A	852	LEU	0	-0.029	-0.012	48.143	-0.001	-0.001	0.000	0.000	0.000	0.000
753	A	853	LYS	1	0.844	0.918	51.215	-0.016	-0.016	0.000	0.000	0.000	0.000
754	A	854	ARG	1	0.868	0.912	42.582	-0.023	-0.023	0.000	0.000	0.000	0.000
755	A	855	LYS	1	0.797	0.905	44.940	-0.013	-0.013	0.000	0.000	0.000	0.000
756	A	856	ILE	0	0.023	0.022	48.233	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	857	ASN	0	-0.005	0.004	49.223	0.000	0.000	0.000	0.000	0.000	0.000
758	A	858	GLY	0	0.046	0.030	46.602	-0.001	-0.001	0.000	0.000	0.000	0.000
759	A	859	MET	0	-0.015	-0.005	47.348	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	860	LYS	1	0.928	0.983	49.249	-0.007	-0.007	0.000	0.000	0.000	0.000
761	A	861	THR	0	-0.015	-0.016	46.908	0.000	0.000	0.000	0.000	0.000	0.000
762	A	862	THR	0	-0.059	-0.047	45.291	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	863	PHE	0	-0.003	-0.007	47.787	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	864	SER	0	0.021	0.009	50.582	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	865	GLU	-1	-0.830	-0.872	45.178	0.005	0.005	0.000	0.000	0.000	0.000
766	A	866	LYS	1	0.913	0.938	39.734	0.001	0.001	0.000	0.000	0.000	0.000
767	A	867	GLY	0	0.075	0.049	46.784	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	868	TYR	0	0.043	0.017	43.153	0.000	0.000	0.000	0.000	0.000	0.000
769	A	869	ALA	0	-0.015	-0.011	45.215	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	870	ILE	0	-0.019	0.006	47.095	0.000	0.000	0.000	0.000	0.000	0.000
771	A	871	LEU	0	-0.004	-0.004	49.918	0.000	0.000	0.000	0.000	0.000	0.000
772	A	872	MET	0	-0.029	0.003	46.370	-0.001	-0.001	0.000	0.000	0.000	0.000
773	A	873	LYS	1	0.854	0.933	46.893	0.011	0.011	0.000	0.000	0.000	0.000
774	A	874	TYR	0	-0.028	-0.047	50.841	0.000	0.000	0.000	0.000	0.000	0.000
775	A	875	VAL	0	-0.018	-0.001	53.219	0.000	0.000	0.000	0.000	0.000	0.000
776	A	876	LYS	1	0.841	0.895	51.155	0.012	0.012	0.000	0.000	0.000	0.000
777	A	877	ALA	0	-0.050	-0.019	55.098	0.000	0.000	0.000	0.000	0.000	0.000
778	A	878	HIS	0	0.027	0.012	56.205	0.000	0.000	0.000	0.000	0.000	0.000
779	A	879	LEU	0	0.039	0.034	57.403	0.000	0.000	0.000	0.000	0.000	0.000
780	A	880	ASN	0	0.008	0.000	54.202	0.000	0.000	0.000	0.000	0.000	0.000
781	A	881	SER	0	0.047	0.014	56.290	0.001	0.001	0.000	0.000	0.000	0.000
782	A	882	LYS	1	0.925	0.973	47.714	0.015	0.015	0.000	0.000	0.000	0.000
783	A	883	HIS	0	-0.014	-0.015	50.703	0.000	0.000	0.000	0.000	0.000	0.000
784	A	884	TYR	0	0.018	0.013	53.080	0.001	0.001	0.000	0.000	0.000	0.000
785	A	885	ALA	0	0.020	0.005	52.370	0.001	0.001	0.000	0.000	0.000	0.000
786	A	886	HIS	0	0.020	0.003	45.864	0.001	0.001	0.000	0.000	0.000	0.000
787	A	887	ASN	0	0.026	-0.005	50.607	0.001	0.001	0.000	0.000	0.000	0.000
788	A	888	ILE	0	0.032	0.023	53.168	0.001	0.001	0.000	0.000	0.000	0.000
789	A	889	ILE	0	-0.037	-0.004	47.868	0.001	0.001	0.000	0.000	0.000	0.000
790	A	890	TYR	0	-0.084	-0.072	43.907	0.002	0.002	0.000	0.000	0.000	0.000
791	A	891	GLY	0	-0.012	0.014	48.755	0.000	0.000	0.000	0.000	0.000	0.000
792	A	892	TYR	0	0.048	0.013	51.229	0.001	0.001	0.000	0.000	0.000	0.000
793	A	893	GLU	-1	-0.840	-0.927	54.292	0.002	0.002	0.000	0.000	0.000	0.000
794	A	894	ASN	0	-0.020	-0.009	50.779	0.002	0.002	0.000	0.000	0.000	0.000
795	A	895	TYR	0	0.004	-0.015	52.531	0.001	0.001	0.000	0.000	0.000	0.000
796	A	896	LEU	0	0.024	0.022	53.729	0.001	0.001	0.000	0.000	0.000	0.000
797	A	897	LYS	1	0.786	0.883	55.354	-0.003	-0.003	0.000	0.000	0.000	0.000
798	A	898	LEU	0	-0.042	-0.015	50.127	0.001	0.001	0.000	0.000	0.000	0.000
799	A	899	GLN	0	0.038	0.009	54.544	0.001	0.001	0.000	0.000	0.000	0.000
800	A	900	GLU	-1	-0.837	-0.908	57.396	0.005	0.005	0.000	0.000	0.000	0.000
801	A	901	GLN	0	-0.036	-0.031	53.588	0.001	0.001	0.000	0.000	0.000	0.000
802	A	902	LEU	0	-0.009	0.000	55.052	0.001	0.001	0.000	0.000	0.000	0.000
803	A	903	GLU	-1	-0.852	-0.935	57.335	0.010	0.010	0.000	0.000	0.000	0.000
804	A	904	LEU	0	-0.034	-0.002	59.482	0.000	0.000	0.000	0.000	0.000	0.000
805	A	905	ALA	0	0.002	-0.009	56.618	0.000	0.000	0.000	0.000	0.000	0.000
806	A	906	GLU	-1	-0.806	-0.908	58.084	0.015	0.015	0.000	0.000	0.000	0.000
807	A	907	ASN	0	-0.048	-0.020	60.653	0.000	0.000	0.000	0.000	0.000	0.000
808	A	908	ASP	-1	-0.854	-0.918	62.961	0.010	0.010	0.000	0.000	0.000	0.000
809	A	909	PHE	0	0.008	0.012	54.659	0.000	0.000	0.000	0.000	0.000	0.000
810	A	910	LYS	1	0.811	0.896	59.521	-0.013	-0.013	0.000	0.000	0.000	0.000
811	A	911	THR	0	0.004	-0.030	61.099	0.000	0.000	0.000	0.000	0.000	0.000
812	A	912	LEU	0	-0.004	0.011	54.951	0.000	0.000	0.000	0.000	0.000	0.000
813	A	913	GLU	-1	-0.810	-0.887	56.201	0.014	0.014	0.000	0.000	0.000	0.000
814	A	914	ASN	0	-0.013	-0.016	56.619	0.000	0.000	0.000	0.000	0.000	0.000
815	A	915	ILE	0	-0.002	0.013	55.999	0.000	0.000	0.000	0.000	0.000	0.000
816	A	916	LEU	0	-0.003	0.000	51.410	0.000	0.000	0.000	0.000	0.000	0.000
817	A	917	VAL	0	0.007	0.010	52.961	0.000	0.000	0.000	0.000	0.000	0.000
818	A	918	ARG	1	0.908	0.966	54.504	-0.006	-0.006	0.000	0.000	0.000	0.000
819	A	919	ILE	0	0.044	0.011	50.969	-0.001	-0.001	0.000	0.000	0.000	0.000
820	A	920	ARG	1	0.799	0.893	48.911	-0.015	-0.015	0.000	0.000	0.000	0.000
821	A	921	ASN	0	-0.017	-0.012	50.765	0.001	0.001	0.000	0.000	0.000	0.000
822	A	922	LYS	1	0.780	0.883	53.432	-0.004	-0.004	0.000	0.000	0.000	0.000
823	A	923	ILE	0	0.005	0.016	47.177	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	924	PHE	0	-0.016	0.000	43.253	-0.001	-0.001	0.000	0.000	0.000	0.000
825	A	925	ASN	0	-0.022	0.004	48.106	0.000	0.000	0.000	0.000	0.000	0.000
826	A	926	LYS	1	0.911	0.940	47.427	-0.004	-0.004	0.000	0.000	0.000	0.000
827	A	927	LYS	1	0.834	0.907	48.705	-0.003	-0.003	0.000	0.000	0.000	0.000
828	A	928	ASN	0	-0.022	-0.018	49.327	-0.001	-0.001	0.000	0.000	0.000	0.000
829	A	929	LEU	0	-0.074	-0.014	42.431	0.000	0.000	0.000	0.000	0.000	0.000
830	A	930	MET	0	-0.015	-0.001	42.192	-0.002	-0.002	0.000	0.000	0.000	0.000
831	A	931	VAL	0	0.004	0.006	37.019	0.002	0.002	0.000	0.000	0.000	0.000
832	A	932	SER	0	-0.036	-0.001	34.715	-0.003	-0.003	0.000	0.000	0.000	0.000
833	A	933	VAL	0	0.013	0.000	30.773	0.004	0.004	0.000	0.000	0.000	0.000
834	A	934	THR	0	0.005	0.006	26.931	-0.005	-0.005	0.000	0.000	0.000	0.000
835	A	935	SER	0	0.000	-0.020	25.589	0.013	0.013	0.000	0.000	0.000	0.000
836	A	936	ASP	-1	-0.741	-0.854	20.977	-0.023	-0.023	0.000	0.000	0.000	0.000
837	A	937	TYR	0	0.015	-0.008	23.991	0.009	0.009	0.000	0.000	0.000	0.000
838	A	938	GLY	0	-0.001	0.000	23.824	0.005	0.005	0.000	0.000	0.000	0.000
839	A	939	ALA	0	-0.032	-0.022	23.522	0.013	0.013	0.000	0.000	0.000	0.000
840	A	940	LEU	0	0.071	0.040	25.532	0.005	0.005	0.000	0.000	0.000	0.000
841	A	941	LYS	1	0.927	0.962	24.461	-0.035	-0.035	0.000	0.000	0.000	0.000
842	A	942	HIS	0	0.018	0.010	24.465	-0.001	-0.001	0.000	0.000	0.000	0.000
843	A	943	LEU	0	0.014	0.040	29.814	0.002	0.002	0.000	0.000	0.000	0.000
844	A	944	PHE	0	0.007	-0.023	32.687	0.000	0.000	0.000	0.000	0.000	0.000
845	A	945	VAL	0	-0.008	-0.001	32.890	-0.003	-0.003	0.000	0.000	0.000	0.000
846	A	946	ASN	0	-0.035	-0.027	29.039	-0.003	-0.003	0.000	0.000	0.000	0.000
847	A	947	SER	0	0.017	-0.002	32.860	0.005	0.005	0.000	0.000	0.000	0.000
848	A	948	ASN	0	-0.068	-0.026	35.336	-0.003	-0.003	0.000	0.000	0.000	0.000
849	A	949	GLU	-1	-0.836	-0.911	38.271	0.026	0.026	0.000	0.000	0.000	0.000
850	A	950	SER	0	0.032	-0.001	37.149	-0.002	-0.002	0.000	0.000	0.000	0.000
851	A	951	LEU	0	0.001	-0.006	37.411	-0.002	-0.002	0.000	0.000	0.000	0.000
852	A	952	LYS	1	0.806	0.895	39.969	-0.014	-0.014	0.000	0.000	0.000	0.000
853	A	953	ASN	0	-0.031	-0.030	42.999	-0.003	-0.003	0.000	0.000	0.000	0.000
854	A	954	LEU	0	-0.031	-0.006	39.801	-0.001	-0.001	0.000	0.000	0.000	0.000
855	A	955	VAL	0	0.003	-0.011	42.375	-0.002	-0.002	0.000	0.000	0.000	0.000
856	A	956	SER	0	-0.001	0.006	45.027	-0.002	-0.002	0.000	0.000	0.000	0.000
857	A	957	TYR	0	-0.014	-0.006	46.809	0.000	0.000	0.000	0.000	0.000	0.000
858	A	958	PHE	0	-0.003	-0.017	42.628	-0.001	-0.001	0.000	0.000	0.000	0.000
859	A	959	GLU	-1	-0.926	-0.965	48.468	0.005	0.005	0.000	0.000	0.000	0.000
860	A	960	GLU	-1	-0.784	-0.876	51.070	0.014	0.014	0.000	0.000	0.000	0.000
861	A	961	ASN	0	-0.048	-0.042	49.944	0.000	0.000	0.000	0.000	0.000	0.000
862	A	962	ASP	-1	-0.727	-0.864	52.271	0.003	0.003	0.000	0.000	0.000	0.000
863	A	963	LYS	1	0.845	0.926	54.571	-0.010	-0.010	0.000	0.000	0.000	0.000
864	A	964	TYR	0	-0.072	-0.030	54.937	0.000	0.000	0.000	0.000	0.000	0.000
865	A	965	ILE	0	-0.025	-0.005	53.374	0.000	0.000	0.000	0.000	0.000	0.000
866	A	966	ASN	0	0.004	-0.001	57.839	0.000	0.000	0.000	0.000	0.000	0.000
867	A	967	ASP	-1	-0.833	-0.937	60.025	0.000	0.000	0.000	0.000	0.000	0.000
868	A	968	MET	0	-0.045	0.013	61.046	-0.001	-0.001	0.000	0.000	0.000	0.000
869	A	969	GLN	0	-0.087	-0.050	60.211	0.000	0.000	0.000	0.000	0.000	0.000
870	A	970	ASN	0	-0.043	-0.014	64.109	0.000	0.000	0.000	0.000	0.000	0.000
871	A	971	LYS	1	0.885	0.927	67.902	0.003	0.003	0.000	0.000	0.000	0.000
872	A	972	VAL	0	-0.006	-0.006	70.942	0.000	0.000	0.000	0.000	0.000	0.000
873	A	973	ASN	0	0.022	0.022	67.055	0.000	0.000	0.000	0.000	0.000	0.000
874	A	974	ASP	-1	-0.859	-0.927	65.436	0.000	0.000	0.000	0.000	0.000	0.000
875	A	975	PRO	0	-0.037	-0.026	68.274	0.000	0.000	0.000	0.000	0.000	0.000
876	A	976	THR	0	0.017	0.000	63.790	0.000	0.000	0.000	0.000	0.000	0.000
877	A	977	VAL	0	-0.002	0.004	62.295	0.000	0.000	0.000	0.000	0.000	0.000
878	A	978	MET	0	-0.039	-0.002	62.563	0.000	0.000	0.000	0.000	0.000	0.000
879	A	979	GLY	0	0.063	0.046	58.963	0.001	0.001	0.000	0.000	0.000	0.000
880	A	980	TRP	0	-0.015	-0.035	52.308	-0.001	-0.001	0.000	0.000	0.000	0.000
881	A	981	ASN	0	-0.081	-0.037	55.683	0.000	0.000	0.000	0.000	0.000	0.000
882	A	982	GLU	-1	-0.744	-0.864	58.126	-0.006	-0.006	0.000	0.000	0.000	0.000
883	A	983	GLU	-1	-0.758	-0.872	60.964	0.000	0.000	0.000	0.000	0.000	0.000
884	A	984	ILE	0	-0.032	-0.014	56.849	0.000	0.000	0.000	0.000	0.000	0.000
885	A	985	LYS	1	0.816	0.900	61.362	0.006	0.006	0.000	0.000	0.000	0.000
886	A	986	SER	0	-0.036	-0.026	63.348	0.000	0.000	0.000	0.000	0.000	0.000
887	A	987	LYS	1	0.866	0.917	61.630	0.001	0.001	0.000	0.000	0.000	0.000
888	A	988	LYS	1	0.825	0.919	66.080	0.005	0.005	0.000	0.000	0.000	0.000
889	A	989	LEU	0	0.012	0.012	62.182	0.000	0.000	0.000	0.000	0.000	0.000
890	A	990	PHE	0	-0.036	-0.006	58.974	0.000	0.000	0.000	0.000	0.000	0.000
891	A	991	ASP	-1	-0.805	-0.914	63.804	-0.007	-0.007	0.000	0.000	0.000	0.000
892	A	992	GLU	-1	-0.833	-0.889	64.698	-0.009	-0.009	0.000	0.000	0.000	0.000
893	A	993	GLU	-1	-0.868	-0.932	66.748	-0.009	-0.009	0.000	0.000	0.000	0.000
894	A	994	LYS	1	0.844	0.922	65.480	0.004	0.004	0.000	0.000	0.000	0.000
895	A	995	VAL	0	-0.002	0.010	66.335	0.000	0.000	0.000	0.000	0.000	0.000
896	A	996	LYS	1	0.757	0.897	58.332	0.005	0.005	0.000	0.000	0.000	0.000
897	A	997	LYS	1	0.851	0.910	63.480	0.006	0.006	0.000	0.000	0.000	0.000
898	A	998	GLU	-1	-0.812	-0.882	61.080	-0.002	-0.002	0.000	0.000	0.000	0.000
899	A	999	PHE	0	0.021	0.002	61.421	0.000	0.000	0.000	0.000	0.000	0.000
900	A	1000	PHE	0	0.013	-0.005	55.153	0.001	0.001	0.000	0.000	0.000	0.000
901	A	1001	VAL	0	-0.020	-0.011	59.058	0.000	0.000	0.000	0.000	0.000	0.000
902	A	1002	LEU	0	0.024	0.009	53.998	0.001	0.001	0.000	0.000	0.000	0.000
903	A	1003	PRO	0	-0.032	-0.030	58.472	-0.001	-0.001	0.000	0.000	0.000	0.000
904	A	1004	THR	0	-0.024	-0.014	54.463	0.001	0.001	0.000	0.000	0.000	0.000
905	A	1005	PHE	0	0.045	0.024	52.459	0.000	0.000	0.000	0.000	0.000	0.000
906	A	1006	VAL	0	-0.017	0.002	51.174	-0.001	-0.001	0.000	0.000	0.000	0.000
907	A	1007	ASN	0	0.060	0.032	54.478	0.002	0.002	0.000	0.000	0.000	0.000
908	A	1008	SER	0	-0.073	-0.046	51.992	0.000	0.000	0.000	0.000	0.000	0.000
909	A	1009	VAL	0	0.049	0.028	54.012	0.001	0.001	0.000	0.000	0.000	0.000
910	A	1010	SER	0	-0.018	-0.030	54.020	-0.001	-0.001	0.000	0.000	0.000	0.000
911	A	1011	MET	0	0.002	-0.001	55.637	0.001	0.001	0.000	0.000	0.000	0.000
912	A	1012	SER	0	-0.022	-0.028	55.787	-0.001	-0.001	0.000	0.000	0.000	0.000
913	A	1013	GLY	0	0.080	0.042	57.192	0.001	0.001	0.000	0.000	0.000	0.000
914	A	1014	ILE	0	-0.011	-0.007	57.704	-0.001	-0.001	0.000	0.000	0.000	0.000
915	A	1015	LEU	0	0.009	-0.008	56.538	0.000	0.000	0.000	0.000	0.000	0.000
916	A	1016	PHE	0	-0.010	-0.004	55.861	0.000	0.000	0.000	0.000	0.000	0.000
917	A	1017	LYS	1	0.849	0.899	59.722	0.015	0.015	0.000	0.000	0.000	0.000
918	A	1018	PRO	0	0.011	-0.014	59.130	-0.001	-0.001	0.000	0.000	0.000	0.000
919	A	1019	GLY	0	-0.025	-0.004	58.577	0.000	0.000	0.000	0.000	0.000	0.000
920	A	1020	GLU	-1	-0.816	-0.880	59.358	-0.016	-0.016	0.000	0.000	0.000	0.000
921	A	1021	TYR	0	-0.028	-0.024	52.857	-0.001	-0.001	0.000	0.000	0.000	0.000
922	A	1022	LEU	0	0.005	0.018	51.423	0.000	0.000	0.000	0.000	0.000	0.000
923	A	1023	ASP	-1	-0.725	-0.835	51.561	-0.030	-0.030	0.000	0.000	0.000	0.000
924	A	1024	PRO	0	0.043	0.030	46.850	0.000	0.000	0.000	0.000	0.000	0.000
925	A	1025	SER	0	-0.006	-0.011	47.835	-0.001	-0.001	0.000	0.000	0.000	0.000
926	A	1026	PHE	0	-0.017	-0.014	49.518	0.000	0.000	0.000	0.000	0.000	0.000
927	A	1027	THR	0	0.001	-0.005	44.614	0.001	0.001	0.000	0.000	0.000	0.000
928	A	1028	VAL	0	-0.021	0.001	44.947	0.000	0.000	0.000	0.000	0.000	0.000
929	A	1029	ILE	0	-0.024	-0.003	46.631	0.000	0.000	0.000	0.000	0.000	0.000
930	A	1030	VAL	0	0.008	0.013	49.041	0.001	0.001	0.000	0.000	0.000	0.000
931	A	1031	ALA	0	-0.006	0.001	44.017	0.001	0.001	0.000	0.000	0.000	0.000
932	A	1032	ALA	0	0.020	0.015	46.099	0.000	0.000	0.000	0.000	0.000	0.000
933	A	1033	LEU	0	-0.008	-0.005	47.480	0.001	0.001	0.000	0.000	0.000	0.000
934	A	1034	LYS	1	0.789	0.899	43.678	0.025	0.025	0.000	0.000	0.000	0.000
935	A	1035	ASN	0	0.011	-0.008	41.830	0.003	0.003	0.000	0.000	0.000	0.000
936	A	1036	SER	0	-0.025	-0.015	45.837	-0.001	-0.001	0.000	0.000	0.000	0.000
937	A	1037	TYR	0	-0.002	-0.002	48.833	0.001	0.001	0.000	0.000	0.000	0.000
938	A	1038	LEU	0	0.011	0.016	50.358	0.001	0.001	0.000	0.000	0.000	0.000
939	A	1039	TRP	0	0.056	0.029	43.635	0.002	0.002	0.000	0.000	0.000	0.000
940	A	1040	ASP	-1	-0.775	-0.898	48.289	-0.022	-0.022	0.000	0.000	0.000	0.000
941	A	1041	THR	0	-0.031	-0.015	50.406	0.001	0.001	0.000	0.000	0.000	0.000
942	A	1042	VAL	0	-0.011	-0.015	51.881	0.001	0.001	0.000	0.000	0.000	0.000
943	A	1043	ARG	1	0.814	0.902	44.220	0.017	0.017	0.000	0.000	0.000	0.000
944	A	1044	GLY	0	-0.044	-0.026	49.969	0.001	0.001	0.000	0.000	0.000	0.000
945	A	1045	LEU	0	-0.051	-0.022	50.712	0.001	0.001	0.000	0.000	0.000	0.000
946	A	1046	ASN	0	-0.093	-0.058	54.156	0.002	0.002	0.000	0.000	0.000	0.000
947	A	1047	GLY	0	0.027	0.031	51.665	0.001	0.001	0.000	0.000	0.000	0.000
948	A	1048	ALA	0	-0.030	-0.017	51.350	0.001	0.001	0.000	0.000	0.000	0.000
949	A	1049	TYR	0	-0.081	-0.048	41.859	-0.001	-0.001	0.000	0.000	0.000	0.000
950	A	1050	GLY	0	0.018	0.007	46.029	-0.001	-0.001	0.000	0.000	0.000	0.000
951	A	1051	VAL	0	-0.047	-0.023	47.079	0.001	0.001	0.000	0.000	0.000	0.000
952	A	1052	PHE	0	-0.011	-0.010	43.518	-0.001	-0.001	0.000	0.000	0.000	0.000
953	A	1053	ALA	0	0.048	0.015	47.825	0.001	0.001	0.000	0.000	0.000	0.000
954	A	1054	ASP	-1	-0.842	-0.924	45.204	-0.025	-0.025	0.000	0.000	0.000	0.000
955	A	1055	ILE	0	-0.007	-0.001	48.493	0.001	0.001	0.000	0.000	0.000	0.000
956	A	1056	GLU	-1	-0.821	-0.900	48.067	-0.015	-0.015	0.000	0.000	0.000	0.000
957	A	1057	TYR	0	0.019	-0.012	48.035	0.000	0.000	0.000	0.000	0.000	0.000
958	A	1058	ASP	-1	-0.799	-0.852	51.521	-0.013	-0.013	0.000	0.000	0.000	0.000
959	A	1059	GLY	0	0.029	0.011	53.976	0.001	0.001	0.000	0.000	0.000	0.000
960	A	1060	SER	0	-0.062	-0.047	53.751	0.000	0.000	0.000	0.000	0.000	0.000
961	A	1061	VAL	0	0.030	0.008	53.037	-0.001	-0.001	0.000	0.000	0.000	0.000
962	A	1062	VAL	0	-0.023	-0.017	51.307	0.001	0.001	0.000	0.000	0.000	0.000
963	A	1063	PHE	0	0.013	0.015	52.163	-0.001	-0.001	0.000	0.000	0.000	0.000
964	A	1064	LEU	0	-0.005	-0.009	48.318	0.001	0.001	0.000	0.000	0.000	0.000
965	A	1065	SER	0	-0.007	-0.017	50.848	-0.001	-0.001	0.000	0.000	0.000	0.000
966	A	1066	ALA	0	-0.014	-0.002	47.631	0.001	0.001	0.000	0.000	0.000	0.000
967	A	1067	ARG	1	0.921	0.953	43.841	0.002	0.002	0.000	0.000	0.000	0.000
968	A	1068	ASP	-1	-0.684	-0.799	50.564	-0.009	-0.009	0.000	0.000	0.000	0.000
969	A	1069	PRO	0	0.039	0.025	53.238	0.001	0.001	0.000	0.000	0.000	0.000
970	A	1070	ASN	0	-0.109	-0.058	55.946	0.001	0.001	0.000	0.000	0.000	0.000
971	A	1071	LEU	0	0.015	0.011	58.168	0.000	0.000	0.000	0.000	0.000	0.000
972	A	1072	GLU	-1	-0.822	-0.929	60.545	-0.006	-0.006	0.000	0.000	0.000	0.000
973	A	1073	LYS	1	0.951	0.985	59.519	0.007	0.007	0.000	0.000	0.000	0.000
974	A	1074	THR	0	-0.002	-0.012	55.457	-0.001	-0.001	0.000	0.000	0.000	0.000
975	A	1075	LEU	0	0.021	0.016	58.212	-0.001	-0.001	0.000	0.000	0.000	0.000
976	A	1076	ALA	0	-0.022	-0.008	60.669	-0.001	-0.001	0.000	0.000	0.000	0.000
977	A	1077	THR	0	-0.006	-0.014	56.047	-0.001	-0.001	0.000	0.000	0.000	0.000
978	A	1078	PHE	0	-0.016	-0.006	53.565	-0.001	-0.001	0.000	0.000	0.000	0.000
979	A	1079	ARG	1	0.864	0.921	58.165	0.008	0.008	0.000	0.000	0.000	0.000
980	A	1080	GLU	-1	-0.810	-0.883	61.139	-0.013	-0.013	0.000	0.000	0.000	0.000
981	A	1081	SER	0	-0.022	-0.040	56.530	-0.001	-0.001	0.000	0.000	0.000	0.000
982	A	1082	ALA	0	0.004	0.017	57.721	-0.001	-0.001	0.000	0.000	0.000	0.000
983	A	1083	LYS	1	0.828	0.897	59.906	0.013	0.013	0.000	0.000	0.000	0.000
984	A	1084	GLY	0	0.017	0.007	57.245	-0.001	-0.001	0.000	0.000	0.000	0.000
985	A	1085	LEU	0	-0.006	-0.011	53.266	-0.001	-0.001	0.000	0.000	0.000	0.000
986	A	1086	ARG	1	0.729	0.824	56.278	0.016	0.016	0.000	0.000	0.000	0.000
987	A	1087	LYS	1	0.887	0.941	56.860	0.020	0.020	0.000	0.000	0.000	0.000
988	A	1088	MET	0	-0.034	-0.009	50.403	0.000	0.000	0.000	0.000	0.000	0.000
989	A	1089	ALA	0	-0.009	-0.002	54.162	-0.001	-0.001	0.000	0.000	0.000	0.000
990	A	1090	ASP	-1	-0.876	-0.922	55.609	-0.022	-0.022	0.000	0.000	0.000	0.000
991	A	1091	THR	0	-0.108	-0.067	54.436	0.000	0.000	0.000	0.000	0.000	0.000
992	A	1092	MET	0	-0.064	0.000	50.315	-0.002	-0.002	0.000	0.000	0.000	0.000
993	A	1093	THR	0	-0.003	-0.020	48.760	-0.001	-0.001	0.000	0.000	0.000	0.000
994	A	1094	GLU	-1	-0.828	-0.935	49.017	-0.036	-0.036	0.000	0.000	0.000	0.000
995	A	1095	ASN	0	-0.031	-0.025	44.806	-0.004	-0.004	0.000	0.000	0.000	0.000
996	A	1096	ASP	-1	-0.773	-0.849	44.675	-0.038	-0.038	0.000	0.000	0.000	0.000
997	A	1097	LEU	0	0.012	0.012	46.077	0.000	0.000	0.000	0.000	0.000	0.000
998	A	1098	LEU	0	-0.048	-0.020	41.505	-0.001	-0.001	0.000	0.000	0.000	0.000
999	A	1099	ARG	1	0.821	0.895	41.062	0.041	0.041	0.000	0.000	0.000	0.000
1000	A	1100	TYR	0	0.055	0.016	41.613	-0.001	-0.001	0.000	0.000	0.000	0.000
1001	A	1101	ILE	0	-0.010	0.006	41.950	0.000	0.000	0.000	0.000	0.000	0.000
1002	A	1102	ILE	0	-0.033	-0.014	36.926	-0.002	-0.002	0.000	0.000	0.000	0.000
1003	A	1103	ASN	0	0.000	0.001	38.064	-0.001	-0.001	0.000	0.000	0.000	0.000
1004	A	1104	THR	0	-0.020	-0.005	38.701	0.001	0.001	0.000	0.000	0.000	0.000
1005	A	1105	ILE	0	-0.018	-0.013	36.129	0.000	0.000	0.000	0.000	0.000	0.000
1006	A	1106	GLY	0	0.044	0.022	34.614	-0.002	-0.002	0.000	0.000	0.000	0.000
1007	A	1107	THR	0	-0.052	-0.037	34.533	0.000	0.000	0.000	0.000	0.000	0.000
1008	A	1108	ILE	0	-0.043	-0.004	36.217	0.001	0.001	0.000	0.000	0.000	0.000
1009	A	1109	ASP	-1	-0.747	-0.853	32.537	-0.066	-0.066	0.000	0.000	0.000	0.000
1010	A	1110	LYS	1	0.872	0.947	29.129	0.038	0.038	0.000	0.000	0.000	0.000
1011	A	1111	PRO	0	0.017	0.015	25.748	0.002	0.002	0.000	0.000	0.000	0.000
1012	A	1112	ARG	1	0.823	0.898	27.229	0.057	0.057	0.000	0.000	0.000	0.000
1013	A	1113	ARG	1	0.841	0.910	18.065	0.065	0.065	0.000	0.000	0.000	0.000
1014	A	1114	GLY	0	0.049	0.016	24.961	0.009	0.009	0.000	0.000	0.000	0.000
1015	A	1115	ILE	0	0.012	0.005	25.866	-0.002	-0.002	0.000	0.000	0.000	0.000
1016	A	1116	GLU	-1	-0.758	-0.864	27.064	-0.040	-0.040	0.000	0.000	0.000	0.000
1017	A	1117	LEU	0	-0.006	-0.001	27.866	0.000	0.000	0.000	0.000	0.000	0.000
1018	A	1118	SER	0	0.015	-0.006	30.418	-0.001	-0.001	0.000	0.000	0.000	0.000
1019	A	1119	LYS	1	0.813	0.889	32.302	0.004	0.004	0.000	0.000	0.000	0.000
1020	A	1120	LEU	0	0.005	0.013	33.570	0.001	0.001	0.000	0.000	0.000	0.000
1021	A	1121	SER	0	-0.020	-0.002	34.619	0.001	0.001	0.000	0.000	0.000	0.000
1022	A	1122	PHE	0	0.040	0.007	36.349	0.001	0.001	0.000	0.000	0.000	0.000
1023	A	1123	LEU	0	0.021	0.012	38.222	0.001	0.001	0.000	0.000	0.000	0.000
1024	A	1124	ARG	1	0.848	0.924	36.115	0.043	0.043	0.000	0.000	0.000	0.000
1025	A	1125	LEU	0	-0.031	-0.015	39.158	0.001	0.001	0.000	0.000	0.000	0.000
1026	A	1126	ILE	0	-0.030	-0.015	42.459	0.001	0.001	0.000	0.000	0.000	0.000
1027	A	1127	SER	0	0.012	-0.004	43.526	0.002	0.002	0.000	0.000	0.000	0.000
1028	A	1128	ASN	0	-0.075	-0.036	45.654	0.000	0.000	0.000	0.000	0.000	0.000
1029	A	1129	GLU	-1	-0.785	-0.859	41.710	-0.033	-0.033	0.000	0.000	0.000	0.000
1030	A	1130	SER	0	-0.052	-0.055	43.405	-0.002	-0.002	0.000	0.000	0.000	0.000
1031	A	1131	GLU	-1	-0.745	-0.877	39.739	-0.052	-0.052	0.000	0.000	0.000	0.000
1032	A	1132	GLN	0	-0.022	-0.026	42.564	-0.003	-0.003	0.000	0.000	0.000	0.000
1033	A	1133	ASP	-1	-0.744	-0.808	45.700	-0.029	-0.029	0.000	0.000	0.000	0.000
1034	A	1134	ARG	1	0.768	0.833	39.363	0.037	0.037	0.000	0.000	0.000	0.000
1035	A	1135	VAL	0	-0.054	-0.019	41.762	-0.002	-0.002	0.000	0.000	0.000	0.000
1036	A	1136	GLU	-1	-0.793	-0.879	43.519	-0.037	-0.037	0.000	0.000	0.000	0.000
1037	A	1137	PHE	0	0.057	0.018	43.071	0.000	0.000	0.000	0.000	0.000	0.000
1038	A	1138	ARG	1	0.758	0.837	36.049	0.061	0.061	0.000	0.000	0.000	0.000
1039	A	1139	LYS	1	0.792	0.877	42.997	0.036	0.036	0.000	0.000	0.000	0.000
1040	A	1140	ARG	1	0.789	0.875	45.688	0.032	0.032	0.000	0.000	0.000	0.000
1041	A	1141	ILE	0	0.041	0.029	42.360	0.000	0.000	0.000	0.000	0.000	0.000
1042	A	1142	MET	0	-0.055	-0.030	39.016	0.000	0.000	0.000	0.000	0.000	0.000
1043	A	1143	ASN	0	-0.085	-0.044	44.683	0.001	0.001	0.000	0.000	0.000	0.000
1044	A	1144	THR	0	0.034	0.035	47.891	0.002	0.002	0.000	0.000	0.000	0.000
1045	A	1145	LYS	1	0.863	0.923	49.380	0.034	0.034	0.000	0.000	0.000	0.000
1046	A	1146	LYS	1	0.951	0.974	52.043	0.032	0.032	0.000	0.000	0.000	0.000
1047	A	1147	GLU	-1	-0.848	-0.947	54.116	-0.028	-0.028	0.000	0.000	0.000	0.000
1048	A	1148	ASP	-1	-0.845	-0.917	53.085	-0.028	-0.028	0.000	0.000	0.000	0.000
1049	A	1149	PHE	0	0.033	0.005	49.034	0.001	0.001	0.000	0.000	0.000	0.000
1050	A	1150	TYR	0	-0.030	-0.037	55.005	0.001	0.001	0.000	0.000	0.000	0.000
1051	A	1151	LYS	1	0.865	0.928	56.910	0.027	0.027	0.000	0.000	0.000	0.000
1052	A	1152	PHE	0	0.028	0.008	54.319	0.001	0.001	0.000	0.000	0.000	0.000
1053	A	1153	ALA	0	0.006	0.009	57.381	0.001	0.001	0.000	0.000	0.000	0.000
1054	A	1154	ASP	-1	-0.818	-0.908	59.114	-0.018	-0.018	0.000	0.000	0.000	0.000
1055	A	1155	LEU	0	-0.054	-0.010	57.912	0.001	0.001	0.000	0.000	0.000	0.000
1056	A	1156	LEU	0	0.006	-0.006	56.020	0.001	0.001	0.000	0.000	0.000	0.000
1057	A	1157	GLU	-1	-0.832	-0.880	60.467	-0.014	-0.014	0.000	0.000	0.000	0.000
1058	A	1158	SER	0	-0.098	-0.056	63.752	0.001	0.001	0.000	0.000	0.000	0.000
1059	A	1159	LYS	1	0.789	0.886	62.100	0.014	0.014	0.000	0.000	0.000	0.000
1060	A	1160	VAL	0	0.052	0.036	62.901	0.000	0.000	0.000	0.000	0.000	0.000
1061	A	1161	ASN	0	-0.011	-0.022	63.942	0.001	0.001	0.000	0.000	0.000	0.000
1062	A	1162	GLU	-1	-0.796	-0.876	62.246	-0.010	-0.010	0.000	0.000	0.000	0.000
1063	A	1163	PHE	0	-0.038	-0.020	56.799	0.000	0.000	0.000	0.000	0.000	0.000
1064	A	1164	GLU	-1	-0.800	-0.876	61.743	-0.008	-0.008	0.000	0.000	0.000	0.000
1065	A	1165	LYS	1	0.761	0.881	63.931	0.010	0.010	0.000	0.000	0.000	0.000
1066	A	1166	ASN	0	-0.039	-0.012	59.686	0.001	0.001	0.000	0.000	0.000	0.000
1067	A	1167	ILE	0	0.000	0.016	59.778	-0.001	-0.001	0.000	0.000	0.000	0.000
1068	A	1168	VAL	0	-0.019	-0.009	57.210	0.001	0.001	0.000	0.000	0.000	0.000
1069	A	1169	ILE	0	0.013	0.017	57.492	-0.001	-0.001	0.000	0.000	0.000	0.000
1070	A	1170	ILE	0	-0.010	0.016	53.051	0.001	0.001	0.000	0.000	0.000	0.000
1071	A	1171	THR	0	-0.001	-0.027	56.953	0.000	0.000	0.000	0.000	0.000	0.000
1072	A	1172	THR	0	-0.015	-0.013	59.181	0.000	0.000	0.000	0.000	0.000	0.000
1073	A	1173	LYS	1	0.979	0.988	61.554	-0.003	-0.003	0.000	0.000	0.000	0.000
1074	A	1174	GLU	-1	-0.850	-0.921	64.437	0.001	0.001	0.000	0.000	0.000	0.000
1075	A	1175	LYS	1	0.883	0.948	58.683	0.001	0.001	0.000	0.000	0.000	0.000
1076	A	1176	ALA	0	0.021	0.013	63.906	0.000	0.000	0.000	0.000	0.000	0.000
1077	A	1177	ASN	0	-0.013	-0.010	65.509	0.000	0.000	0.000	0.000	0.000	0.000
1078	A	1178	GLU	-1	-0.861	-0.924	68.175	-0.002	-0.002	0.000	0.000	0.000	0.000
1079	A	1179	TYR	0	-0.006	-0.005	66.102	-0.001	-0.001	0.000	0.000	0.000	0.000
1080	A	1180	ILE	0	-0.045	-0.029	67.849	0.000	0.000	0.000	0.000	0.000	0.000
1081	A	1181	ALA	0	-0.040	-0.020	70.431	0.000	0.000	0.000	0.000	0.000	0.000
1082	A	1182	ASN	0	-0.086	-0.049	71.560	0.000	0.000	0.000	0.000	0.000	0.000
1083	A	1183	VAL	0	-0.058	-0.019	68.469	0.000	0.000	0.000	0.000	0.000	0.000
1084	A	1184	ASP	-1	-0.792	-0.890	67.577	-0.006	-0.006	0.000	0.000	0.000	0.000
1085	A	1185	GLY	0	0.042	0.017	69.901	0.000	0.000	0.000	0.000	0.000	0.000
1086	A	1186	GLU	-1	-0.871	-0.924	70.071	-0.003	-0.003	0.000	0.000	0.000	0.000
1087	A	1187	PHE	0	-0.018	0.003	62.548	0.000	0.000	0.000	0.000	0.000	0.000
1088	A	1188	LYS	1	0.800	0.887	66.928	0.004	0.004	0.000	0.000	0.000	0.000
1089	A	1189	LYS	1	0.864	0.928	64.964	0.001	0.001	0.000	0.000	0.000	0.000
1090	A	1190	VAL	0	0.003	0.005	60.742	0.000	0.000	0.000	0.000	0.000	0.000
1091	A	1191	LEU	0	0.012	0.011	61.573	0.000	0.000	0.000	0.000	0.000	0.000
1092	A	1192	ILE	0	-0.031	0.000	55.620	0.000	0.000	0.000	0.000	0.000	0.000
1093	A	1193	GLU	-1	-0.926	-0.971	57.593	0.005	0.005	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:57:THR)