FMO DATABASE

FMODB ID: 164KZ

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	OptHSide
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	-38641435.514308
FMO2-HF: Nuclear repulsion	38197502.319009
FMO2-HF: Total energy	-443933.195299
FMO2-MP2: Total energy	-445239.931518

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.
-4.135	-0.483	3.001	-2.499	-4.154	-0.008

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 : -0.030 / 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	-0.920	-0.962	3.656	-4.185	-2.523	-0.002	-0.845	-0.816	0.003
4	A	60	TRP	0	0.002	-0.006	6.234	0.314	0.314	0.000	0.000	0.000	0.000
5	A	61	ILE	0	0.007	0.001	2.183	0.001	0.004	2.293	-0.750	-1.546	-0.002
6	A	62	HIS	0	0.006	0.005	4.214	0.846	1.065	-0.001	-0.018	-0.201	0.000
7	A	63	GLU	-1	-0.907	-0.932	7.662	-0.395	-0.395	0.000	0.000	0.000	0.000
8	A	64	LYS	1	0.861	0.923	9.138	0.723	0.723	0.000	0.000	0.000	0.000
9	A	65	SER	0	-0.039	-0.021	9.591	0.063	0.063	0.000	0.000	0.000	0.000
10	A	66	PRO	0	-0.028	0.015	11.424	0.037	0.037	0.000	0.000	0.000	0.000
11	A	67	LYS	1	0.983	0.977	14.272	0.126	0.126	0.000	0.000	0.000	0.000
12	A	68	HIS	0	0.075	0.025	16.750	-0.008	-0.008	0.000	0.000	0.000	0.000
13	A	69	ASN	0	-0.015	-0.003	20.127	0.006	0.006	0.000	0.000	0.000	0.000
14	A	70	SER	0	-0.069	-0.060	23.068	0.010	0.010	0.000	0.000	0.000	0.000
15	A	71	TYR	0	-0.026	-0.030	19.938	0.009	0.009	0.000	0.000	0.000	0.000
16	A	72	ASP	-1	-0.901	-0.931	18.921	-0.002	-0.002	0.000	0.000	0.000	0.000
17	A	73	ILE	0	-0.037	-0.015	12.241	-0.002	-0.002	0.000	0.000	0.000	0.000
18	A	74	ILE	0	-0.048	-0.026	15.412	0.020	0.020	0.000	0.000	0.000	0.000
19	A	75	GLU	-1	-0.816	-0.915	11.646	0.104	0.104	0.000	0.000	0.000	0.000
20	A	76	LYS	1	0.915	0.955	6.771	-0.229	-0.229	0.000	0.000	0.000	0.000
21	A	77	ARG	1	0.743	0.846	6.499	-0.015	-0.015	0.000	0.000	0.000	0.000
22	A	78	TYR	0	-0.081	-0.074	2.500	-2.557	-0.838	0.712	-0.884	-1.546	-0.009
23	A	79	ASN	0	0.026	0.014	5.141	0.058	0.107	-0.001	-0.002	-0.045	0.000
24	A	80	GLU	-1	-0.834	-0.915	5.263	0.789	0.789	0.000	0.000	0.000	0.000
25	A	81	GLU	-1	-0.827	-0.894	7.108	0.242	0.242	0.000	0.000	0.000	0.000
26	A	82	PHE	0	-0.014	-0.026	10.396	-0.026	-0.026	0.000	0.000	0.000	0.000
27	A	83	LYS	1	0.875	0.954	7.560	-0.047	-0.047	0.000	0.000	0.000	0.000
28	A	84	MET	0	0.019	0.028	8.375	-0.099	-0.099	0.000	0.000	0.000	0.000
29	A	85	THR	0	-0.027	-0.010	6.328	-0.040	-0.040	0.000	0.000	0.000	0.000
30	A	86	TYR	0	0.031	0.018	8.578	0.037	0.037	0.000	0.000	0.000	0.000
31	A	87	THR	0	0.000	0.004	10.186	0.033	0.033	0.000	0.000	0.000	0.000
32	A	88	VAL	0	0.025	0.027	12.156	-0.016	-0.016	0.000	0.000	0.000	0.000
33	A	89	TYR	0	-0.037	-0.038	14.566	0.010	0.010	0.000	0.000	0.000	0.000
34	A	90	GLN	0	0.032	0.017	17.828	0.001	0.001	0.000	0.000	0.000	0.000
35	A	91	HIS	0	0.030	0.003	20.981	0.006	0.006	0.000	0.000	0.000	0.000
36	A	92	LYS	1	0.856	0.925	21.694	0.024	0.024	0.000	0.000	0.000	0.000
37	A	93	LYS	1	0.915	0.955	25.530	0.033	0.033	0.000	0.000	0.000	0.000
38	A	94	ALA	0	0.035	0.016	28.175	0.004	0.004	0.000	0.000	0.000	0.000
39	A	95	LYS	1	0.815	0.895	25.401	0.003	0.003	0.000	0.000	0.000	0.000
40	A	96	THR	0	0.041	0.017	24.880	0.002	0.002	0.000	0.000	0.000	0.000
41	A	97	GLN	0	-0.038	-0.027	20.288	-0.003	-0.003	0.000	0.000	0.000	0.000
42	A	98	VAL	0	0.006	0.008	19.172	-0.002	-0.002	0.000	0.000	0.000	0.000
43	A	99	ILE	0	-0.022	-0.008	16.002	0.000	0.000	0.000	0.000	0.000	0.000
44	A	100	SER	0	0.011	-0.004	14.381	-0.003	-0.003	0.000	0.000	0.000	0.000
45	A	101	LEU	0	-0.009	-0.013	13.118	-0.006	-0.006	0.000	0.000	0.000	0.000
46	A	102	GLY	0	0.002	0.004	11.468	0.000	0.000	0.000	0.000	0.000	0.000
47	A	103	THR	0	-0.011	-0.027	11.294	-0.029	-0.029	0.000	0.000	0.000	0.000
48	A	104	ASN	0	0.032	-0.007	10.135	-0.086	-0.086	0.000	0.000	0.000	0.000
49	A	105	ASP	-1	-0.812	-0.871	12.226	-0.122	-0.122	0.000	0.000	0.000	0.000
50	A	106	PRO	0	0.021	-0.006	14.818	0.010	0.010	0.000	0.000	0.000	0.000
51	A	107	LEU	0	-0.045	-0.031	17.872	0.015	0.015	0.000	0.000	0.000	0.000
52	A	108	ASP	-1	-0.769	-0.859	16.345	-0.130	-0.130	0.000	0.000	0.000	0.000
53	A	109	VAL	0	-0.072	-0.055	19.242	-0.021	-0.021	0.000	0.000	0.000	0.000
54	A	110	GLU	-1	-0.857	-0.919	21.881	-0.073	-0.073	0.000	0.000	0.000	0.000
55	A	111	GLN	0	-0.025	0.012	20.859	-0.032	-0.032	0.000	0.000	0.000	0.000
56	A	112	ALA	0	0.031	0.000	21.522	0.013	0.013	0.000	0.000	0.000	0.000
57	A	113	PHE	0	-0.006	-0.008	21.934	-0.010	-0.010	0.000	0.000	0.000	0.000
58	A	114	ALA	0	0.036	0.005	23.757	0.006	0.006	0.000	0.000	0.000	0.000
59	A	115	PHE	0	-0.024	-0.004	24.686	-0.002	-0.002	0.000	0.000	0.000	0.000
60	A	116	TYR	0	-0.001	-0.028	23.620	0.002	0.002	0.000	0.000	0.000	0.000
61	A	117	VAL	0	0.000	-0.005	26.876	0.001	0.001	0.000	0.000	0.000	0.000
62	A	118	LYS	1	0.910	0.974	28.478	-0.022	-0.022	0.000	0.000	0.000	0.000
63	A	119	THR	0	-0.033	-0.023	30.447	-0.002	-0.002	0.000	0.000	0.000	0.000
64	A	120	LEU	0	0.018	0.016	32.359	0.000	0.000	0.000	0.000	0.000	0.000
65	A	121	THR	0	-0.013	-0.003	35.830	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	122	HIS	1	0.789	0.855	38.857	-0.011	-0.011	0.000	0.000	0.000	0.000
67	A	123	SER	0	0.013	0.015	42.544	0.000	0.000	0.000	0.000	0.000	0.000
68	A	124	GLY	0	0.107	0.063	43.582	0.000	0.000	0.000	0.000	0.000	0.000
69	A	125	LYS	1	0.771	0.848	45.631	-0.004	-0.004	0.000	0.000	0.000	0.000
70	A	126	GLY	0	0.099	0.047	42.504	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	127	ILE	0	-0.061	-0.021	41.546	-0.001	-0.001	0.000	0.000	0.000	0.000
72	A	128	PRO	0	0.012	0.003	36.755	-0.001	-0.001	0.000	0.000	0.000	0.000
73	A	129	HIS	0	0.013	0.021	38.057	-0.003	-0.003	0.000	0.000	0.000	0.000
74	A	130	ILE	0	0.017	0.013	39.687	-0.002	-0.002	0.000	0.000	0.000	0.000
75	A	131	LEU	0	-0.034	0.008	38.334	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	132	GLU	-1	-0.893	-0.901	35.105	-0.012	-0.012	0.000	0.000	0.000	0.000
77	A	133	HIS	1	0.837	0.898	37.518	0.007	0.007	0.000	0.000	0.000	0.000
78	A	134	SER	0	-0.021	-0.037	40.482	-0.001	-0.001	0.000	0.000	0.000	0.000
79	A	135	VAL	0	-0.066	-0.040	36.210	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	136	LEU	0	0.028	0.012	35.064	-0.002	-0.002	0.000	0.000	0.000	0.000
81	A	137	SER	0	-0.037	-0.014	39.020	-0.002	-0.002	0.000	0.000	0.000	0.000
82	A	138	GLY	0	0.004	0.018	41.332	0.001	0.001	0.000	0.000	0.000	0.000
83	A	139	SER	0	-0.034	-0.055	38.915	0.001	0.001	0.000	0.000	0.000	0.000
84	A	140	LYS	1	0.914	0.953	40.749	0.020	0.020	0.000	0.000	0.000	0.000
85	A	141	ASN	0	-0.091	-0.043	38.045	-0.002	-0.002	0.000	0.000	0.000	0.000
86	A	142	TYR	0	-0.004	0.004	35.075	-0.003	-0.003	0.000	0.000	0.000	0.000
87	A	143	ASN	0	0.021	0.032	41.258	0.002	0.002	0.000	0.000	0.000	0.000
88	A	144	TYR	0	-0.024	-0.016	42.363	0.000	0.000	0.000	0.000	0.000	0.000
89	A	145	LYS	1	0.825	0.893	45.130	0.017	0.017	0.000	0.000	0.000	0.000
90	A	146	ASN	0	0.018	-0.005	43.264	0.000	0.000	0.000	0.000	0.000	0.000
91	A	147	SER	0	0.040	0.020	39.424	-0.001	-0.001	0.000	0.000	0.000	0.000
92	A	148	ILE	0	0.046	0.029	35.859	-0.002	-0.002	0.000	0.000	0.000	0.000
93	A	149	GLY	0	0.051	0.023	39.119	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	150	LEU	0	-0.059	-0.029	41.154	-0.001	-0.001	0.000	0.000	0.000	0.000
95	A	151	LEU	0	-0.016	-0.006	34.537	-0.002	-0.002	0.000	0.000	0.000	0.000
96	A	152	GLU	-1	-0.932	-0.948	37.656	-0.032	-0.032	0.000	0.000	0.000	0.000
97	A	153	LYS	1	0.817	0.913	38.911	0.024	0.024	0.000	0.000	0.000	0.000
98	A	154	GLY	0	-0.034	-0.017	39.533	0.000	0.000	0.000	0.000	0.000	0.000
99	A	155	THR	0	-0.042	-0.017	34.098	-0.002	-0.002	0.000	0.000	0.000	0.000
100	A	156	LEU	0	-0.061	-0.034	32.093	0.001	0.001	0.000	0.000	0.000	0.000
101	A	157	HIS	0	-0.011	-0.009	31.002	-0.004	-0.004	0.000	0.000	0.000	0.000
102	A	158	THR	0	-0.058	-0.055	27.179	-0.001	-0.001	0.000	0.000	0.000	0.000
103	A	159	HIS	0	-0.037	-0.007	25.377	0.005	0.005	0.000	0.000	0.000	0.000
104	A	160	LEU	0	0.055	0.030	30.643	-0.004	-0.004	0.000	0.000	0.000	0.000
105	A	161	ASN	0	-0.049	-0.021	30.893	0.003	0.003	0.000	0.000	0.000	0.000
106	A	162	ALA	0	0.032	0.005	31.911	-0.003	-0.003	0.000	0.000	0.000	0.000
107	A	163	TYR	0	-0.014	0.003	29.787	0.002	0.002	0.000	0.000	0.000	0.000
108	A	164	THR	0	0.018	-0.019	32.633	0.000	0.000	0.000	0.000	0.000	0.000
109	A	165	PHE	0	-0.008	0.003	28.841	0.001	0.001	0.000	0.000	0.000	0.000
110	A	166	ASN	0	-0.001	0.015	33.375	0.001	0.001	0.000	0.000	0.000	0.000
111	A	167	ASP	-1	-0.705	-0.839	31.138	0.017	0.017	0.000	0.000	0.000	0.000
112	A	168	ARG	1	0.809	0.899	27.158	-0.013	-0.013	0.000	0.000	0.000	0.000
113	A	169	THR	0	0.012	0.013	31.035	0.000	0.000	0.000	0.000	0.000	0.000
114	A	170	VAL	0	-0.011	-0.009	26.339	-0.001	-0.001	0.000	0.000	0.000	0.000
115	A	171	TYR	0	0.030	0.021	29.055	0.000	0.000	0.000	0.000	0.000	0.000
116	A	172	MET	0	-0.006	0.010	23.297	-0.006	-0.006	0.000	0.000	0.000	0.000
117	A	173	ALA	0	0.020	0.016	27.201	0.003	0.003	0.000	0.000	0.000	0.000
118	A	174	GLY	0	0.046	0.019	26.362	-0.007	-0.007	0.000	0.000	0.000	0.000
119	A	175	SER	0	-0.021	-0.034	26.123	0.004	0.004	0.000	0.000	0.000	0.000
120	A	176	MET	0	-0.020	0.012	25.871	-0.011	-0.011	0.000	0.000	0.000	0.000
121	A	177	ASN	0	-0.004	-0.002	27.077	-0.008	-0.008	0.000	0.000	0.000	0.000
122	A	178	ASN	0	0.015	-0.005	24.438	0.003	0.003	0.000	0.000	0.000	0.000
123	A	179	LYS	1	0.891	0.919	26.657	0.084	0.084	0.000	0.000	0.000	0.000
124	A	180	ASP	-1	-0.771	-0.861	30.068	-0.058	-0.058	0.000	0.000	0.000	0.000
125	A	181	PHE	0	-0.017	0.001	23.455	0.004	0.004	0.000	0.000	0.000	0.000
126	A	182	PHE	0	0.018	0.000	23.470	0.005	0.005	0.000	0.000	0.000	0.000
127	A	183	ASN	0	-0.013	0.004	28.979	0.005	0.005	0.000	0.000	0.000	0.000
128	A	184	ILE	0	0.017	0.013	30.418	0.005	0.005	0.000	0.000	0.000	0.000
129	A	185	MET	0	-0.047	-0.021	24.765	0.002	0.002	0.000	0.000	0.000	0.000
130	A	186	GLY	0	-0.002	-0.004	29.651	0.004	0.004	0.000	0.000	0.000	0.000
131	A	187	VAL	0	0.004	0.010	32.184	0.004	0.004	0.000	0.000	0.000	0.000
132	A	188	TYR	0	0.003	0.008	31.138	0.003	0.003	0.000	0.000	0.000	0.000
133	A	189	MET	0	-0.037	0.001	29.040	0.003	0.003	0.000	0.000	0.000	0.000
134	A	190	ASP	-1	-0.724	-0.821	31.776	-0.026	-0.026	0.000	0.000	0.000	0.000
135	A	191	SER	0	-0.029	-0.022	35.347	0.003	0.003	0.000	0.000	0.000	0.000
136	A	192	VAL	0	-0.013	-0.001	30.970	0.003	0.003	0.000	0.000	0.000	0.000
137	A	193	PHE	0	-0.013	-0.005	29.112	0.003	0.003	0.000	0.000	0.000	0.000
138	A	194	GLN	0	-0.068	-0.029	35.088	0.004	0.004	0.000	0.000	0.000	0.000
139	A	195	PRO	0	0.057	0.040	37.784	-0.001	-0.001	0.000	0.000	0.000	0.000
140	A	196	ASN	0	0.038	-0.009	40.400	0.001	0.001	0.000	0.000	0.000	0.000
141	A	197	VAL	0	-0.015	0.007	42.270	0.001	0.001	0.000	0.000	0.000	0.000
142	A	198	LEU	0	-0.052	-0.020	40.226	0.002	0.002	0.000	0.000	0.000	0.000
143	A	199	GLU	-1	-0.959	-0.972	44.766	-0.012	-0.012	0.000	0.000	0.000	0.000
144	A	200	ASN	0	-0.039	-0.009	47.681	0.001	0.001	0.000	0.000	0.000	0.000
145	A	201	LYS	1	0.907	0.937	48.997	0.005	0.005	0.000	0.000	0.000	0.000
146	A	202	TYR	0	0.040	0.017	50.938	0.000	0.000	0.000	0.000	0.000	0.000
147	A	203	ILE	0	-0.020	0.007	45.078	0.000	0.000	0.000	0.000	0.000	0.000
148	A	204	PHE	0	0.012	0.004	46.489	0.000	0.000	0.000	0.000	0.000	0.000
149	A	205	GLU	-1	-0.816	-0.890	48.081	-0.006	-0.006	0.000	0.000	0.000	0.000
150	A	206	THR	0	-0.058	-0.033	48.813	0.000	0.000	0.000	0.000	0.000	0.000
151	A	207	GLU	-1	-0.802	-0.940	44.608	-0.012	-0.012	0.000	0.000	0.000	0.000
152	A	208	GLY	0	0.031	0.029	46.151	0.001	0.001	0.000	0.000	0.000	0.000
153	A	209	TRP	0	-0.093	-0.050	47.671	0.001	0.001	0.000	0.000	0.000	0.000
154	A	210	THR	0	0.002	0.001	51.350	0.000	0.000	0.000	0.000	0.000	0.000
155	A	211	TYR	0	0.005	-0.007	54.797	0.001	0.001	0.000	0.000	0.000	0.000
156	A	212	GLU	-1	-0.835	-0.901	57.541	-0.007	-0.007	0.000	0.000	0.000	0.000
157	A	213	VAL	0	-0.048	-0.035	59.748	0.001	0.001	0.000	0.000	0.000	0.000
158	A	214	GLU	-1	-0.842	-0.914	63.496	-0.005	-0.005	0.000	0.000	0.000	0.000
159	A	215	LYS	1	0.801	0.902	65.625	0.005	0.005	0.000	0.000	0.000	0.000
160	A	216	LEU	0	-0.026	0.004	69.382	0.000	0.000	0.000	0.000	0.000	0.000
161	A	217	LYS	1	0.879	0.928	68.236	0.003	0.003	0.000	0.000	0.000	0.000
162	A	218	GLU	-1	-0.839	-0.919	72.806	-0.002	-0.002	0.000	0.000	0.000	0.000
163	A	219	ASP	-1	-0.910	-0.957	73.593	-0.002	-0.002	0.000	0.000	0.000	0.000
164	A	220	GLU	-1	-0.769	-0.870	68.737	-0.002	-0.002	0.000	0.000	0.000	0.000
165	A	221	LYS	1	0.840	0.914	73.051	0.003	0.003	0.000	0.000	0.000	0.000
166	A	222	GLY	0	-0.027	-0.010	74.801	0.000	0.000	0.000	0.000	0.000	0.000
167	A	223	LYS	1	0.838	0.919	72.598	0.000	0.000	0.000	0.000	0.000	0.000
168	A	224	ALA	0	0.023	0.007	72.114	0.000	0.000	0.000	0.000	0.000	0.000
169	A	225	GLU	-1	-0.880	-0.937	68.994	0.000	0.000	0.000	0.000	0.000	0.000
170	A	226	ILE	0	-0.034	-0.014	67.415	0.000	0.000	0.000	0.000	0.000	0.000
171	A	227	PRO	0	0.016	0.019	64.059	0.000	0.000	0.000	0.000	0.000	0.000
172	A	228	GLN	0	0.011	-0.004	67.149	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	229	MET	0	-0.010	-0.001	65.137	0.000	0.000	0.000	0.000	0.000	0.000
174	A	230	LYS	1	0.788	0.882	70.086	0.002	0.002	0.000	0.000	0.000	0.000
175	A	231	ASP	-1	-0.826	-0.911	71.945	-0.004	-0.004	0.000	0.000	0.000	0.000
176	A	232	TYR	0	0.022	0.010	67.037	0.000	0.000	0.000	0.000	0.000	0.000
177	A	233	LYS	1	0.824	0.893	64.915	0.003	0.003	0.000	0.000	0.000	0.000
178	A	234	VAL	0	-0.025	-0.017	62.323	0.000	0.000	0.000	0.000	0.000	0.000
179	A	235	SER	0	-0.026	-0.014	59.662	0.000	0.000	0.000	0.000	0.000	0.000
180	A	236	PHE	0	0.028	0.011	55.115	0.000	0.000	0.000	0.000	0.000	0.000
181	A	237	ASN	0	-0.012	-0.012	53.851	0.000	0.000	0.000	0.000	0.000	0.000
182	A	238	GLY	0	0.029	0.008	50.709	0.000	0.000	0.000	0.000	0.000	0.000
183	A	239	ILE	0	-0.066	-0.013	45.097	0.001	0.001	0.000	0.000	0.000	0.000
184	A	240	VAL	0	0.044	0.021	43.223	0.001	0.001	0.000	0.000	0.000	0.000
185	A	241	TYR	0	-0.056	-0.052	45.928	0.001	0.001	0.000	0.000	0.000	0.000
186	A	242	ASN	0	-0.017	-0.026	49.290	0.001	0.001	0.000	0.000	0.000	0.000
187	A	243	GLU	-1	-0.901	-0.935	42.257	-0.006	-0.006	0.000	0.000	0.000	0.000
188	A	244	MET	0	-0.024	-0.006	42.925	0.000	0.000	0.000	0.000	0.000	0.000
189	A	245	LYS	1	0.786	0.867	46.836	0.001	0.001	0.000	0.000	0.000	0.000
190	A	246	GLY	0	-0.026	-0.008	49.238	0.001	0.001	0.000	0.000	0.000	0.000
191	A	247	ALA	0	0.007	-0.002	45.079	0.001	0.001	0.000	0.000	0.000	0.000
192	A	248	LEU	0	-0.035	-0.011	46.983	0.001	0.001	0.000	0.000	0.000	0.000
193	A	249	SER	0	-0.117	-0.051	49.820	0.001	0.001	0.000	0.000	0.000	0.000
194	A	250	SER	0	-0.024	-0.036	45.773	0.001	0.001	0.000	0.000	0.000	0.000
195	A	251	PRO	0	0.021	0.001	47.209	0.001	0.001	0.000	0.000	0.000	0.000
196	A	252	LEU	0	-0.006	-0.015	42.607	0.001	0.001	0.000	0.000	0.000	0.000
197	A	253	GLU	-1	-0.879	-0.936	41.151	0.006	0.006	0.000	0.000	0.000	0.000
198	A	254	ASP	-1	-0.832	-0.909	43.672	0.010	0.010	0.000	0.000	0.000	0.000
199	A	255	LEU	0	-0.032	-0.021	43.636	0.001	0.001	0.000	0.000	0.000	0.000
200	A	256	TYR	0	0.032	0.017	35.856	0.002	0.002	0.000	0.000	0.000	0.000
201	A	257	HIS	0	0.053	0.014	41.118	0.002	0.002	0.000	0.000	0.000	0.000
202	A	258	GLU	-1	-0.815	-0.898	43.143	0.013	0.013	0.000	0.000	0.000	0.000
203	A	259	GLU	-1	-0.815	-0.897	40.116	0.022	0.022	0.000	0.000	0.000	0.000
204	A	260	MET	0	-0.008	0.005	37.151	0.002	0.002	0.000	0.000	0.000	0.000
205	A	261	LYS	1	0.838	0.920	40.792	-0.012	-0.012	0.000	0.000	0.000	0.000
206	A	262	TYR	0	-0.064	-0.049	43.919	0.000	0.000	0.000	0.000	0.000	0.000
207	A	263	MET	0	-0.068	-0.011	38.568	0.002	0.002	0.000	0.000	0.000	0.000
208	A	264	PHE	0	0.010	-0.015	34.091	0.002	0.002	0.000	0.000	0.000	0.000
209	A	265	PRO	0	-0.011	0.006	40.000	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	266	ASP	-1	-0.798	-0.879	41.555	0.022	0.022	0.000	0.000	0.000	0.000
211	A	267	ASN	0	-0.022	-0.010	35.762	-0.001	-0.001	0.000	0.000	0.000	0.000
212	A	268	VAL	0	0.017	-0.007	36.027	-0.001	-0.001	0.000	0.000	0.000	0.000
213	A	269	HIS	0	-0.008	-0.019	32.606	0.000	0.000	0.000	0.000	0.000	0.000
214	A	270	SER	0	-0.024	0.011	37.612	-0.001	-0.001	0.000	0.000	0.000	0.000
215	A	271	ASN	0	-0.066	-0.016	40.533	-0.002	-0.002	0.000	0.000	0.000	0.000
216	A	272	ASN	0	0.040	-0.003	40.259	0.000	0.000	0.000	0.000	0.000	0.000
217	A	273	SER	0	-0.068	-0.046	36.757	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	274	GLY	0	0.065	0.029	39.864	-0.002	-0.002	0.000	0.000	0.000	0.000
219	A	275	GLY	0	0.025	-0.006	41.137	-0.002	-0.002	0.000	0.000	0.000	0.000
220	A	276	ASP	-1	-0.832	-0.909	44.591	0.006	0.006	0.000	0.000	0.000	0.000
221	A	277	PRO	0	0.020	0.007	47.741	0.000	0.000	0.000	0.000	0.000	0.000
222	A	278	LYS	1	0.880	0.923	50.660	-0.005	-0.005	0.000	0.000	0.000	0.000
223	A	279	GLU	-1	-0.837	-0.928	48.474	0.006	0.006	0.000	0.000	0.000	0.000
224	A	280	ILE	0	0.014	0.027	46.483	0.000	0.000	0.000	0.000	0.000	0.000
225	A	281	THR	0	-0.003	0.009	49.345	0.000	0.000	0.000	0.000	0.000	0.000
226	A	282	ASN	0	-0.032	-0.011	51.943	0.000	0.000	0.000	0.000	0.000	0.000
227	A	283	LEU	0	-0.092	-0.018	45.868	0.000	0.000	0.000	0.000	0.000	0.000
228	A	284	THR	0	0.014	-0.011	50.102	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	285	TYR	0	0.016	-0.028	47.371	0.000	0.000	0.000	0.000	0.000	0.000
230	A	286	GLU	-1	-0.826	-0.929	47.781	-0.004	-0.004	0.000	0.000	0.000	0.000
231	A	287	GLU	-1	-0.711	-0.808	46.860	0.002	0.002	0.000	0.000	0.000	0.000
232	A	288	PHE	0	-0.020	-0.019	42.969	0.000	0.000	0.000	0.000	0.000	0.000
233	A	289	LYS	1	0.851	0.924	43.042	0.005	0.005	0.000	0.000	0.000	0.000
234	A	290	GLU	-1	-0.960	-0.971	42.513	0.001	0.001	0.000	0.000	0.000	0.000
235	A	291	PHE	0	-0.026	-0.020	37.669	0.001	0.001	0.000	0.000	0.000	0.000
236	A	292	TYR	0	-0.011	-0.029	36.320	0.001	0.001	0.000	0.000	0.000	0.000
237	A	293	TYR	0	-0.001	-0.005	37.495	0.000	0.000	0.000	0.000	0.000	0.000
238	A	294	LYS	1	0.846	0.927	36.936	-0.009	-0.009	0.000	0.000	0.000	0.000
239	A	295	ASN	0	-0.012	-0.017	34.277	0.003	0.003	0.000	0.000	0.000	0.000
240	A	296	TYR	0	-0.006	-0.013	32.846	0.001	0.001	0.000	0.000	0.000	0.000
241	A	297	ASN	0	-0.012	-0.002	32.750	-0.004	-0.004	0.000	0.000	0.000	0.000
242	A	298	PRO	0	0.073	0.028	30.417	0.001	0.001	0.000	0.000	0.000	0.000
243	A	299	LYS	1	0.792	0.903	28.281	-0.002	-0.002	0.000	0.000	0.000	0.000
244	A	300	LYS	1	0.742	0.865	27.313	-0.003	-0.003	0.000	0.000	0.000	0.000
245	A	301	VAL	0	-0.007	0.029	27.344	0.002	0.002	0.000	0.000	0.000	0.000
246	A	302	LYS	1	0.845	0.931	22.105	-0.004	-0.004	0.000	0.000	0.000	0.000
247	A	303	VAL	0	0.012	0.001	22.829	-0.001	-0.001	0.000	0.000	0.000	0.000
248	A	304	PHE	0	0.036	0.013	18.119	-0.003	-0.003	0.000	0.000	0.000	0.000
249	A	305	PHE	0	-0.014	-0.009	17.487	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	306	PHE	0	0.015	0.013	15.387	-0.011	-0.011	0.000	0.000	0.000	0.000
251	A	307	SER	0	0.035	-0.010	16.331	0.004	0.004	0.000	0.000	0.000	0.000
252	A	308	LYS	1	0.887	0.948	14.984	0.182	0.182	0.000	0.000	0.000	0.000
253	A	309	ASN	0	-0.074	-0.036	15.056	-0.066	-0.066	0.000	0.000	0.000	0.000
254	A	310	ASN	0	0.044	0.031	14.306	0.041	0.041	0.000	0.000	0.000	0.000
255	A	311	PRO	0	0.044	0.026	14.428	0.024	0.024	0.000	0.000	0.000	0.000
256	A	312	THR	0	-0.034	-0.038	17.440	0.032	0.032	0.000	0.000	0.000	0.000
257	A	313	GLU	-1	-0.886	-0.929	19.617	-0.112	-0.112	0.000	0.000	0.000	0.000
258	A	314	LEU	0	0.050	0.028	20.444	0.015	0.015	0.000	0.000	0.000	0.000
259	A	315	LEU	0	-0.004	-0.004	17.588	0.014	0.014	0.000	0.000	0.000	0.000
260	A	316	ASN	0	0.017	0.012	22.080	0.017	0.017	0.000	0.000	0.000	0.000
261	A	317	PHE	0	0.021	0.020	25.076	0.009	0.009	0.000	0.000	0.000	0.000
262	A	318	VAL	0	0.039	0.006	24.350	0.008	0.008	0.000	0.000	0.000	0.000
263	A	319	ASP	-1	-0.844	-0.886	25.550	-0.044	-0.044	0.000	0.000	0.000	0.000
264	A	320	GLN	0	-0.045	-0.030	27.362	0.007	0.007	0.000	0.000	0.000	0.000
265	A	321	TYR	0	-0.018	-0.029	29.966	0.005	0.005	0.000	0.000	0.000	0.000
266	A	322	LEU	0	0.026	0.002	27.022	0.005	0.005	0.000	0.000	0.000	0.000
267	A	323	GLY	0	-0.042	-0.002	31.187	0.005	0.005	0.000	0.000	0.000	0.000
268	A	324	GLN	0	-0.053	-0.030	33.213	0.004	0.004	0.000	0.000	0.000	0.000
269	A	325	LEU	0	-0.007	0.014	32.884	0.002	0.002	0.000	0.000	0.000	0.000
270	A	326	ASP	-1	-0.773	-0.831	36.570	-0.011	-0.011	0.000	0.000	0.000	0.000
271	A	327	TYR	0	-0.038	-0.061	32.086	0.002	0.002	0.000	0.000	0.000	0.000
272	A	328	SER	0	-0.101	-0.079	37.526	0.002	0.002	0.000	0.000	0.000	0.000
273	A	329	LYS	1	0.848	0.903	40.096	0.012	0.012	0.000	0.000	0.000	0.000
274	A	330	TYR	0	-0.003	0.013	36.220	0.001	0.001	0.000	0.000	0.000	0.000
275	A	331	ARG	1	0.956	0.975	38.492	0.001	0.001	0.000	0.000	0.000	0.000
276	A	332	ASP	-1	-0.776	-0.884	37.585	0.010	0.010	0.000	0.000	0.000	0.000
277	A	333	ASP	-1	-0.767	-0.868	33.079	0.003	0.003	0.000	0.000	0.000	0.000
278	A	334	ALA	0	-0.031	0.000	32.640	0.002	0.002	0.000	0.000	0.000	0.000
279	A	335	VAL	0	-0.003	-0.007	28.927	-0.002	-0.002	0.000	0.000	0.000	0.000
280	A	336	GLU	-1	-0.837	-0.889	32.217	0.017	0.017	0.000	0.000	0.000	0.000
281	A	337	SER	0	0.016	-0.008	30.801	0.000	0.000	0.000	0.000	0.000	0.000
282	A	338	VAL	0	-0.002	0.006	31.710	-0.002	-0.002	0.000	0.000	0.000	0.000
283	A	339	GLU	-1	-0.859	-0.928	32.576	0.038	0.038	0.000	0.000	0.000	0.000
284	A	340	TYR	0	-0.048	-0.034	27.953	-0.003	-0.003	0.000	0.000	0.000	0.000
285	A	341	GLN	0	-0.053	-0.046	34.778	-0.003	-0.003	0.000	0.000	0.000	0.000
286	A	342	THR	0	0.009	-0.003	37.443	0.002	0.002	0.000	0.000	0.000	0.000
287	A	343	TYR	0	0.004	0.008	39.774	-0.002	-0.002	0.000	0.000	0.000	0.000
288	A	344	LYS	1	0.839	0.920	41.315	-0.024	-0.024	0.000	0.000	0.000	0.000
289	A	345	LYS	1	0.944	0.968	44.582	-0.026	-0.026	0.000	0.000	0.000	0.000
290	A	346	GLY	0	0.010	0.037	46.212	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	347	PRO	0	-0.033	-0.053	46.852	0.000	0.000	0.000	0.000	0.000	0.000
292	A	348	PHE	0	-0.042	-0.016	43.759	-0.001	-0.001	0.000	0.000	0.000	0.000
293	A	349	TYR	0	-0.057	-0.051	48.635	0.000	0.000	0.000	0.000	0.000	0.000
294	A	350	ILE	0	-0.030	-0.014	48.998	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	351	LYS	1	0.820	0.929	51.776	-0.012	-0.012	0.000	0.000	0.000	0.000
296	A	352	LYS	1	0.791	0.882	49.560	-0.010	-0.010	0.000	0.000	0.000	0.000
297	A	353	LYS	1	0.832	0.918	53.405	-0.009	-0.009	0.000	0.000	0.000	0.000
298	A	354	TYR	0	0.016	-0.021	52.124	0.000	0.000	0.000	0.000	0.000	0.000
299	A	355	GLY	0	-0.019	-0.011	54.156	0.000	0.000	0.000	0.000	0.000	0.000
300	A	356	ASP	-1	-0.774	-0.870	55.006	0.005	0.005	0.000	0.000	0.000	0.000
301	A	357	HIS	1	0.832	0.881	57.062	-0.003	-0.003	0.000	0.000	0.000	0.000
302	A	358	SER	0	-0.070	-0.044	57.015	0.000	0.000	0.000	0.000	0.000	0.000
303	A	359	GLU	-1	-0.922	-0.947	59.746	0.004	0.004	0.000	0.000	0.000	0.000
304	A	360	GLU	-1	-0.867	-0.913	59.797	0.008	0.008	0.000	0.000	0.000	0.000
305	A	361	LYS	1	0.791	0.881	57.930	-0.005	-0.005	0.000	0.000	0.000	0.000
306	A	362	GLU	-1	-0.753	-0.865	50.922	0.010	0.010	0.000	0.000	0.000	0.000
307	A	363	ASN	0	-0.039	-0.006	53.291	0.000	0.000	0.000	0.000	0.000	0.000
308	A	364	LEU	0	0.016	-0.007	46.908	0.000	0.000	0.000	0.000	0.000	0.000
309	A	365	VAL	0	-0.026	0.004	47.913	0.000	0.000	0.000	0.000	0.000	0.000
310	A	366	SER	0	-0.043	-0.032	42.381	0.001	0.001	0.000	0.000	0.000	0.000
311	A	367	VAL	0	-0.031	-0.016	43.057	0.000	0.000	0.000	0.000	0.000	0.000
312	A	368	ALA	0	0.028	0.014	39.680	0.001	0.001	0.000	0.000	0.000	0.000
313	A	369	TRP	0	-0.031	-0.023	37.856	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	370	LEU	0	0.038	0.015	35.010	0.000	0.000	0.000	0.000	0.000	0.000
315	A	371	LEU	0	-0.054	-0.030	32.312	0.001	0.001	0.000	0.000	0.000	0.000
316	A	372	ASN	0	0.058	0.032	30.204	0.000	0.000	0.000	0.000	0.000	0.000
317	A	373	PRO	0	0.032	0.025	33.585	0.000	0.000	0.000	0.000	0.000	0.000
318	A	374	LYS	1	0.905	0.951	34.712	-0.036	-0.036	0.000	0.000	0.000	0.000
319	A	375	VAL	0	0.015	0.015	36.541	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	376	ASP	-1	-0.999	-0.991	39.265	0.032	0.032	0.000	0.000	0.000	0.000
321	A	399	GLY	0	-0.051	-0.029	30.467	-0.002	-0.002	0.000	0.000	0.000	0.000
322	A	400	SER	0	-0.009	-0.015	29.387	0.002	0.002	0.000	0.000	0.000	0.000
323	A	401	HIS	0	-0.049	0.004	28.488	-0.005	-0.005	0.000	0.000	0.000	0.000
324	A	402	SER	0	-0.032	-0.003	33.371	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	403	SER	0	-0.007	-0.012	33.469	0.002	0.002	0.000	0.000	0.000	0.000
326	A	404	ASP	-1	-0.942	-0.950	33.682	0.049	0.049	0.000	0.000	0.000	0.000
327	A	405	LEU	0	0.046	0.015	34.752	0.001	0.001	0.000	0.000	0.000	0.000
328	A	406	SER	-1	-0.735	-0.876	30.326	0.062	0.062	0.000	0.000	0.000	0.000
329	A	407	LEU	0	-0.107	-0.087	27.960	0.003	0.003	0.000	0.000	0.000	0.000
330	A	408	GLU	-1	-0.757	-0.864	25.258	0.065	0.065	0.000	0.000	0.000	0.000
331	A	409	ASN	0	-0.094	-0.031	22.659	0.012	0.012	0.000	0.000	0.000	0.000
332	A	410	PRO	0	0.039	0.001	18.101	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	411	THR	0	-0.041	-0.031	20.363	0.001	0.001	0.000	0.000	0.000	0.000
334	A	412	ASP	-1	-0.785	-0.895	22.087	0.086	0.086	0.000	0.000	0.000	0.000
335	A	413	TYR	0	0.010	0.001	21.207	-0.002	-0.002	0.000	0.000	0.000	0.000
336	A	414	PHE	0	0.017	-0.007	17.701	-0.002	-0.002	0.000	0.000	0.000	0.000
337	A	415	VAL	0	-0.024	-0.011	23.329	-0.003	-0.003	0.000	0.000	0.000	0.000
338	A	416	LEU	0	0.019	0.019	26.713	-0.005	-0.005	0.000	0.000	0.000	0.000
339	A	417	LEU	0	0.003	0.010	22.694	-0.005	-0.005	0.000	0.000	0.000	0.000
340	A	418	ILE	0	-0.032	-0.022	24.810	-0.004	-0.004	0.000	0.000	0.000	0.000
341	A	419	ILE	0	-0.002	0.001	28.242	-0.005	-0.005	0.000	0.000	0.000	0.000
342	A	420	ASN	0	0.070	0.033	29.863	-0.007	-0.007	0.000	0.000	0.000	0.000
343	A	421	ASN	0	-0.023	-0.002	29.096	-0.004	-0.004	0.000	0.000	0.000	0.000
344	A	422	LEU	0	0.026	0.004	31.557	-0.003	-0.003	0.000	0.000	0.000	0.000
345	A	423	LEU	0	-0.047	-0.017	34.123	-0.003	-0.003	0.000	0.000	0.000	0.000
346	A	424	ILE	0	-0.012	-0.010	34.384	-0.003	-0.003	0.000	0.000	0.000	0.000
347	A	425	HIS	0	0.001	0.028	31.900	-0.004	-0.004	0.000	0.000	0.000	0.000
348	A	426	THR	0	-0.043	-0.035	34.650	0.001	0.001	0.000	0.000	0.000	0.000
349	A	427	PRO	0	0.029	-0.002	37.269	0.001	0.001	0.000	0.000	0.000	0.000
350	A	428	GLU	-1	-0.814	-0.879	39.590	0.025	0.025	0.000	0.000	0.000	0.000
351	A	429	SER	0	-0.029	0.007	36.699	0.001	0.001	0.000	0.000	0.000	0.000
352	A	430	VAL	0	-0.001	-0.014	38.411	-0.002	-0.002	0.000	0.000	0.000	0.000
353	A	431	LEU	0	-0.004	-0.014	38.999	-0.002	-0.002	0.000	0.000	0.000	0.000
354	A	432	TYR	0	0.037	0.037	39.325	-0.003	-0.003	0.000	0.000	0.000	0.000
355	A	433	LYS	1	0.897	0.954	41.833	-0.029	-0.029	0.000	0.000	0.000	0.000
356	A	434	ALA	0	0.005	0.004	44.066	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	435	LEU	0	-0.004	-0.009	43.160	-0.001	-0.001	0.000	0.000	0.000	0.000
358	A	436	THR	0	-0.040	-0.021	45.208	-0.002	-0.002	0.000	0.000	0.000	0.000
359	A	437	ASP	-1	-0.919	-0.968	47.789	0.021	0.021	0.000	0.000	0.000	0.000
360	A	438	CYS	0	-0.142	-0.032	49.733	-0.001	-0.001	0.000	0.000	0.000	0.000
361	A	439	GLY	0	0.031	0.014	51.504	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	440	LEU	0	0.026	-0.001	51.948	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	441	GLY	0	0.002	-0.015	51.049	-0.001	-0.001	0.000	0.000	0.000	0.000
364	A	442	ASN	0	-0.114	-0.066	50.837	0.000	0.000	0.000	0.000	0.000	0.000
365	A	443	ASN	0	-0.003	-0.019	45.093	0.001	0.001	0.000	0.000	0.000	0.000
366	A	444	VAL	0	0.014	0.023	41.773	0.000	0.000	0.000	0.000	0.000	0.000
367	A	445	ILE	0	-0.054	-0.015	40.876	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	446	ASP	-1	-0.874	-0.963	37.876	0.021	0.021	0.000	0.000	0.000	0.000
369	A	447	ARG	1	0.890	0.942	31.234	-0.023	-0.023	0.000	0.000	0.000	0.000
370	A	448	GLY	0	0.032	0.023	34.322	0.001	0.001	0.000	0.000	0.000	0.000
371	A	449	LEU	0	-0.021	-0.010	27.896	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	450	ASN	0	-0.016	0.004	31.018	-0.002	-0.002	0.000	0.000	0.000	0.000
373	A	451	ASP	-1	-0.822	-0.907	25.470	0.039	0.039	0.000	0.000	0.000	0.000
374	A	452	SER	0	-0.048	-0.019	26.567	0.000	0.000	0.000	0.000	0.000	0.000
375	A	453	LEU	0	-0.007	-0.003	28.357	-0.004	-0.004	0.000	0.000	0.000	0.000
376	A	454	VAL	0	0.014	0.008	28.929	0.003	0.003	0.000	0.000	0.000	0.000
377	A	455	GLN	0	-0.090	-0.052	29.619	0.002	0.002	0.000	0.000	0.000	0.000
378	A	456	TYR	-1	-0.885	-0.946	24.947	0.056	0.056	0.000	0.000	0.000	0.000
379	A	457	ILE	0	-0.008	-0.002	31.280	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	458	PHE	0	-0.033	-0.015	33.413	0.001	0.001	0.000	0.000	0.000	0.000
381	A	459	SER	0	-0.017	-0.011	35.561	0.000	0.000	0.000	0.000	0.000	0.000
382	A	460	ILE	0	-0.041	-0.014	38.187	0.000	0.000	0.000	0.000	0.000	0.000
383	A	461	GLY	0	0.065	0.024	40.765	0.000	0.000	0.000	0.000	0.000	0.000
384	A	462	LEU	0	-0.058	0.001	44.329	0.000	0.000	0.000	0.000	0.000	0.000
385	A	463	LYS	1	0.898	0.932	45.808	-0.010	-0.010	0.000	0.000	0.000	0.000
386	A	464	GLY	0	0.037	0.010	48.806	0.000	0.000	0.000	0.000	0.000	0.000
387	A	465	ILE	0	-0.016	0.019	50.330	0.000	0.000	0.000	0.000	0.000	0.000
388	A	466	LYS	1	0.879	0.934	53.815	-0.009	-0.009	0.000	0.000	0.000	0.000
389	A	467	ARG	1	0.965	0.965	57.469	-0.009	-0.009	0.000	0.000	0.000	0.000
390	A	468	ASN	0	-0.044	-0.035	60.465	0.000	0.000	0.000	0.000	0.000	0.000
391	A	469	ASN	0	-0.052	-0.007	55.935	0.000	0.000	0.000	0.000	0.000	0.000
392	A	470	GLU	-1	-0.804	-0.896	60.020	0.012	0.012	0.000	0.000	0.000	0.000
393	A	471	LYS	1	0.829	0.902	56.295	-0.013	-0.013	0.000	0.000	0.000	0.000
394	A	472	ILE	0	-0.074	-0.020	56.597	0.001	0.001	0.000	0.000	0.000	0.000
395	A	473	LYS	1	0.910	0.962	56.494	-0.018	-0.018	0.000	0.000	0.000	0.000
396	A	474	ASN	0	-0.012	-0.024	59.763	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	475	PHE	0	0.063	0.043	57.409	0.000	0.000	0.000	0.000	0.000	0.000
398	A	476	ASP	-1	-0.876	-0.930	58.181	0.013	0.013	0.000	0.000	0.000	0.000
399	A	477	LYS	1	0.822	0.883	57.084	-0.014	-0.014	0.000	0.000	0.000	0.000
400	A	478	VAL	0	0.076	0.049	53.980	0.001	0.001	0.000	0.000	0.000	0.000
401	A	479	HIS	0	0.035	0.006	50.965	0.001	0.001	0.000	0.000	0.000	0.000
402	A	480	TYR	0	0.007	0.004	50.938	0.001	0.001	0.000	0.000	0.000	0.000
403	A	481	GLU	-1	-0.836	-0.919	52.353	0.016	0.016	0.000	0.000	0.000	0.000
404	A	482	VAL	0	0.020	0.003	47.645	0.001	0.001	0.000	0.000	0.000	0.000
405	A	483	GLU	-1	-0.739	-0.837	47.063	0.025	0.025	0.000	0.000	0.000	0.000
406	A	484	ASP	-1	-0.913	-0.952	47.975	0.023	0.023	0.000	0.000	0.000	0.000
407	A	485	VAL	0	-0.042	-0.017	47.366	0.001	0.001	0.000	0.000	0.000	0.000
408	A	486	ILE	0	0.016	0.013	42.813	0.001	0.001	0.000	0.000	0.000	0.000
409	A	487	MET	0	0.014	0.007	44.552	0.002	0.002	0.000	0.000	0.000	0.000
410	A	488	ASN	0	-0.057	-0.038	46.009	0.002	0.002	0.000	0.000	0.000	0.000
411	A	489	ALA	0	0.019	0.021	44.079	0.001	0.001	0.000	0.000	0.000	0.000
412	A	490	LEU	0	-0.010	-0.007	39.558	0.002	0.002	0.000	0.000	0.000	0.000
413	A	491	LYS	1	0.926	0.950	42.578	-0.026	-0.026	0.000	0.000	0.000	0.000
414	A	492	LYS	1	0.858	0.946	45.082	-0.030	-0.030	0.000	0.000	0.000	0.000
415	A	493	VAL	0	0.007	0.008	39.474	0.001	0.001	0.000	0.000	0.000	0.000
416	A	494	VAL	0	0.005	0.011	39.421	0.002	0.002	0.000	0.000	0.000	0.000
417	A	495	LYS	1	0.892	0.953	41.418	-0.032	-0.032	0.000	0.000	0.000	0.000
418	A	496	GLU	-1	-0.949	-0.994	44.048	0.034	0.034	0.000	0.000	0.000	0.000
419	A	497	GLY	0	-0.025	0.001	39.660	0.001	0.001	0.000	0.000	0.000	0.000
420	A	498	PHE	0	0.014	-0.005	35.563	-0.002	-0.002	0.000	0.000	0.000	0.000
421	A	499	ASN	0	-0.004	0.000	37.948	0.005	0.005	0.000	0.000	0.000	0.000
422	A	500	LYS	1	1.004	0.974	34.864	-0.059	-0.059	0.000	0.000	0.000	0.000
423	A	501	SER	0	0.010	0.011	33.680	0.003	0.003	0.000	0.000	0.000	0.000
424	A	502	ALA	0	0.023	0.015	33.627	0.001	0.001	0.000	0.000	0.000	0.000
425	A	503	VAL	0	0.017	0.013	30.009	0.001	0.001	0.000	0.000	0.000	0.000
426	A	504	GLU	-1	-0.843	-0.908	29.282	0.075	0.075	0.000	0.000	0.000	0.000
427	A	505	ALA	0	0.000	-0.007	28.673	0.004	0.004	0.000	0.000	0.000	0.000
428	A	506	SER	0	0.011	-0.007	29.313	0.000	0.000	0.000	0.000	0.000	0.000
429	A	507	ILE	0	-0.019	-0.007	23.996	0.001	0.001	0.000	0.000	0.000	0.000
430	A	508	ASN	0	-0.058	-0.032	24.612	0.011	0.011	0.000	0.000	0.000	0.000
431	A	509	ASN	0	-0.028	-0.013	24.967	0.002	0.002	0.000	0.000	0.000	0.000
432	A	510	ILE	0	0.041	0.018	22.290	-0.003	-0.003	0.000	0.000	0.000	0.000
433	A	511	GLU	-1	-0.789	-0.892	20.022	0.139	0.139	0.000	0.000	0.000	0.000
434	A	512	PHE	0	-0.051	-0.015	20.567	-0.001	-0.001	0.000	0.000	0.000	0.000
435	A	513	ILE	0	-0.006	-0.009	22.213	-0.007	-0.007	0.000	0.000	0.000	0.000
436	A	514	LEU	0	0.034	0.021	18.106	-0.011	-0.011	0.000	0.000	0.000	0.000
437	A	515	LYS	1	0.854	0.938	17.317	-0.092	-0.092	0.000	0.000	0.000	0.000
438	A	516	GLU	-1	-0.798	-0.921	18.364	-0.006	-0.006	0.000	0.000	0.000	0.000
439	A	517	ALA	0	0.003	0.028	19.070	-0.015	-0.015	0.000	0.000	0.000	0.000
440	A	518	ASN	0	-0.005	-0.006	12.909	-0.032	-0.032	0.000	0.000	0.000	0.000
441	A	519	LEU	0	-0.077	-0.046	16.922	-0.021	-0.021	0.000	0.000	0.000	0.000
442	A	520	LYS	1	0.881	0.945	19.560	-0.002	-0.002	0.000	0.000	0.000	0.000
443	A	521	THR	0	-0.016	-0.041	21.679	-0.014	-0.014	0.000	0.000	0.000	0.000
444	A	522	SER	0	0.007	0.013	23.510	0.010	0.010	0.000	0.000	0.000	0.000
445	A	523	LYS	1	0.798	0.912	15.744	0.113	0.113	0.000	0.000	0.000	0.000
446	A	524	SER	0	-0.019	-0.003	19.407	0.010	0.010	0.000	0.000	0.000	0.000
447	A	525	ILE	0	0.037	0.008	20.357	0.004	0.004	0.000	0.000	0.000	0.000
448	A	526	ASP	-1	-0.841	-0.925	22.402	-0.002	-0.002	0.000	0.000	0.000	0.000
449	A	527	PHE	0	-0.062	-0.038	15.487	0.004	0.004	0.000	0.000	0.000	0.000
450	A	528	VAL	0	0.020	0.013	19.386	0.006	0.006	0.000	0.000	0.000	0.000
451	A	529	PHE	0	-0.008	0.011	21.320	0.006	0.006	0.000	0.000	0.000	0.000
452	A	530	GLU	-1	-0.774	-0.865	18.964	0.048	0.048	0.000	0.000	0.000	0.000
453	A	531	MET	0	-0.037	-0.017	14.576	0.002	0.002	0.000	0.000	0.000	0.000
454	A	532	THR	0	-0.046	-0.044	19.652	0.006	0.006	0.000	0.000	0.000	0.000
455	A	533	SER	0	-0.043	-0.012	23.021	0.005	0.005	0.000	0.000	0.000	0.000
456	A	534	LYS	1	0.881	0.929	19.550	-0.046	-0.046	0.000	0.000	0.000	0.000
457	A	535	LEU	0	0.010	-0.002	19.124	0.003	0.003	0.000	0.000	0.000	0.000
458	A	536	ASN	0	-0.046	0.001	22.484	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	537	TYR	0	-0.074	-0.075	25.071	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	538	ASN	0	-0.096	-0.038	23.331	0.002	0.002	0.000	0.000	0.000	0.000
461	A	539	ARG	1	0.839	0.923	21.244	-0.047	-0.047	0.000	0.000	0.000	0.000
462	A	540	ASP	-1	-0.776	-0.863	14.574	0.106	0.106	0.000	0.000	0.000	0.000
463	A	541	PRO	0	0.005	-0.003	15.470	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	542	LEU	0	-0.009	-0.020	10.259	-0.016	-0.016	0.000	0.000	0.000	0.000
465	A	543	LEU	0	-0.009	0.010	13.935	0.015	0.015	0.000	0.000	0.000	0.000
466	A	544	ILE	0	0.008	0.005	16.059	0.016	0.016	0.000	0.000	0.000	0.000
467	A	545	PHE	0	-0.006	-0.019	12.731	-0.002	-0.002	0.000	0.000	0.000	0.000
468	A	546	GLU	-1	-0.924	-0.939	10.292	0.216	0.216	0.000	0.000	0.000	0.000
469	A	547	PHE	0	0.024	0.001	12.616	0.017	0.017	0.000	0.000	0.000	0.000
470	A	548	GLU	-1	-0.897	-0.957	12.860	0.247	0.247	0.000	0.000	0.000	0.000
471	A	549	LYS	1	0.884	0.952	12.980	-0.259	-0.259	0.000	0.000	0.000	0.000
472	A	550	TYR	0	0.053	0.016	14.292	-0.006	-0.006	0.000	0.000	0.000	0.000
473	A	551	LEU	0	0.061	0.032	17.900	-0.015	-0.015	0.000	0.000	0.000	0.000
474	A	552	ASN	0	-0.078	-0.038	16.680	-0.028	-0.028	0.000	0.000	0.000	0.000
475	A	553	ILE	0	-0.026	-0.001	18.285	-0.012	-0.012	0.000	0.000	0.000	0.000
476	A	554	VAL	0	0.033	0.017	21.419	-0.012	-0.012	0.000	0.000	0.000	0.000
477	A	555	LYS	1	0.853	0.912	20.439	-0.166	-0.166	0.000	0.000	0.000	0.000
478	A	556	ASN	0	-0.076	-0.053	21.852	-0.015	-0.015	0.000	0.000	0.000	0.000
479	A	557	LYS	1	0.840	0.917	25.326	-0.111	-0.111	0.000	0.000	0.000	0.000
480	A	558	ILE	0	-0.006	0.005	27.134	-0.008	-0.008	0.000	0.000	0.000	0.000
481	A	559	LYS	1	0.866	0.945	27.456	-0.111	-0.111	0.000	0.000	0.000	0.000
482	A	560	ASN	0	-0.023	-0.027	27.112	-0.008	-0.008	0.000	0.000	0.000	0.000
483	A	561	GLU	-1	-0.832	-0.887	29.186	0.093	0.093	0.000	0.000	0.000	0.000
484	A	562	PRO	0	0.008	-0.005	32.673	-0.002	-0.002	0.000	0.000	0.000	0.000
485	A	563	MET	0	-0.003	0.000	36.099	0.001	0.001	0.000	0.000	0.000	0.000
486	A	564	TYR	0	0.017	0.026	27.161	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	565	LEU	0	0.045	0.016	29.477	0.000	0.000	0.000	0.000	0.000	0.000
488	A	566	GLU	-1	-0.813	-0.913	33.188	0.057	0.057	0.000	0.000	0.000	0.000
489	A	567	LYS	1	0.910	0.941	35.515	-0.065	-0.065	0.000	0.000	0.000	0.000
490	A	568	PHE	0	0.049	0.036	29.674	-0.002	-0.002	0.000	0.000	0.000	0.000
491	A	569	VAL	0	0.008	-0.004	34.515	-0.003	-0.003	0.000	0.000	0.000	0.000
492	A	570	GLU	-1	-0.959	-0.987	36.887	0.040	0.040	0.000	0.000	0.000	0.000
493	A	571	LYN	0	-0.084	-0.035	34.368	-0.003	-0.003	0.000	0.000	0.000	0.000
494	A	572	HIS	0	0.049	0.010	32.614	-0.002	-0.002	0.000	0.000	0.000	0.000
495	A	573	PHE	0	-0.011	-0.001	34.166	-0.002	-0.002	0.000	0.000	0.000	0.000
496	A	574	ILE	0	-0.038	-0.012	39.335	-0.002	-0.002	0.000	0.000	0.000	0.000
497	A	575	ASN	0	-0.052	-0.027	41.665	-0.004	-0.004	0.000	0.000	0.000	0.000
498	A	576	ASN	0	0.002	0.011	37.948	-0.002	-0.002	0.000	0.000	0.000	0.000
499	A	577	ALA	0	-0.010	-0.023	41.583	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	578	HIS	0	0.011	0.021	40.464	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	579	ARG	1	0.844	0.897	41.111	-0.028	-0.028	0.000	0.000	0.000	0.000
502	A	580	SER	0	0.028	0.027	43.242	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	581	VAL	0	-0.029	-0.008	44.910	0.000	0.000	0.000	0.000	0.000	0.000
504	A	582	ILE	0	0.014	0.003	45.235	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	583	LEU	0	-0.010	-0.007	48.731	0.000	0.000	0.000	0.000	0.000	0.000
506	A	584	LEU	0	-0.004	0.004	47.906	0.000	0.000	0.000	0.000	0.000	0.000
507	A	585	GLU	-1	-0.879	-0.965	51.684	0.010	0.010	0.000	0.000	0.000	0.000
508	A	586	GLY	0	0.040	0.022	55.237	0.000	0.000	0.000	0.000	0.000	0.000
509	A	587	ASP	-1	-0.864	-0.951	56.334	0.007	0.007	0.000	0.000	0.000	0.000
510	A	588	GLU	-1	-0.791	-0.872	59.332	0.004	0.004	0.000	0.000	0.000	0.000
511	A	589	ASN	0	-0.025	-0.021	62.021	-0.001	-0.001	0.000	0.000	0.000	0.000
512	A	590	TYR	0	0.063	0.043	53.187	0.000	0.000	0.000	0.000	0.000	0.000
513	A	591	ALA	0	0.031	0.003	57.134	0.000	0.000	0.000	0.000	0.000	0.000
514	A	592	GLN	0	-0.037	-0.018	58.222	-0.001	-0.001	0.000	0.000	0.000	0.000
515	A	593	GLU	-1	-0.887	-0.956	60.677	0.005	0.005	0.000	0.000	0.000	0.000
516	A	594	GLN	0	0.020	0.011	55.599	0.000	0.000	0.000	0.000	0.000	0.000
517	A	595	GLU	-1	-0.829	-0.904	57.159	0.001	0.001	0.000	0.000	0.000	0.000
518	A	596	ASN	0	-0.034	-0.020	59.881	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	597	LEU	0	-0.007	0.007	58.835	0.000	0.000	0.000	0.000	0.000	0.000
520	A	598	GLU	-1	-0.798	-0.859	55.869	0.000	0.000	0.000	0.000	0.000	0.000
521	A	599	LYS	1	0.957	0.975	59.658	-0.001	-0.001	0.000	0.000	0.000	0.000
522	A	600	GLN	0	0.020	0.013	63.062	0.000	0.000	0.000	0.000	0.000	0.000
523	A	601	GLU	-1	-0.762	-0.845	58.458	0.002	0.002	0.000	0.000	0.000	0.000
524	A	602	LEU	0	-0.012	-0.009	59.746	0.000	0.000	0.000	0.000	0.000	0.000
525	A	603	LYS	1	0.877	0.936	62.623	-0.002	-0.002	0.000	0.000	0.000	0.000
526	A	604	LYS	1	0.905	0.953	60.630	-0.003	-0.003	0.000	0.000	0.000	0.000
527	A	605	ARG	1	0.742	0.854	56.251	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	606	ILE	0	-0.008	-0.006	63.904	0.000	0.000	0.000	0.000	0.000	0.000
529	A	607	GLU	-1	-0.973	-1.000	66.743	0.001	0.001	0.000	0.000	0.000	0.000
530	A	608	ASN	0	-0.093	-0.060	65.673	0.000	0.000	0.000	0.000	0.000	0.000
531	A	609	PHE	0	-0.013	0.028	61.753	0.000	0.000	0.000	0.000	0.000	0.000
532	A	610	ASN	0	0.040	0.006	67.310	0.000	0.000	0.000	0.000	0.000	0.000
533	A	611	GLU	-1	-0.795	-0.913	69.469	-0.002	-0.002	0.000	0.000	0.000	0.000
534	A	612	GLN	0	0.015	0.010	65.992	0.000	0.000	0.000	0.000	0.000	0.000
535	A	613	GLU	-1	-0.843	-0.917	65.044	-0.001	-0.001	0.000	0.000	0.000	0.000
536	A	614	LYS	1	0.815	0.897	65.564	0.001	0.001	0.000	0.000	0.000	0.000
537	A	615	GLU	-1	-0.857	-0.917	66.856	-0.004	-0.004	0.000	0.000	0.000	0.000
538	A	616	GLN	0	-0.030	-0.012	61.002	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	617	VAL	0	-0.009	-0.009	61.542	0.000	0.000	0.000	0.000	0.000	0.000
540	A	618	ILE	0	-0.011	0.003	62.401	0.000	0.000	0.000	0.000	0.000	0.000
541	A	619	LYS	1	1.011	1.007	64.013	0.006	0.006	0.000	0.000	0.000	0.000
542	A	620	ASN	0	-0.065	-0.042	56.895	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	621	PHE	0	0.016	0.020	58.591	-0.001	-0.001	0.000	0.000	0.000	0.000
544	A	622	GLU	-1	-0.899	-0.953	60.100	-0.007	-0.007	0.000	0.000	0.000	0.000
545	A	623	GLU	-1	-0.911	-0.947	59.382	-0.009	-0.009	0.000	0.000	0.000	0.000
546	A	624	LEU	0	0.011	0.014	53.349	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	625	SER	0	-0.028	-0.019	56.089	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	626	LYS	1	0.818	0.899	57.965	0.008	0.008	0.000	0.000	0.000	0.000
549	A	627	TYR	0	0.013	0.008	48.752	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	628	LYS	1	0.958	0.970	52.866	0.008	0.008	0.000	0.000	0.000	0.000
551	A	629	ASN	0	-0.044	-0.036	53.892	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	630	ALA	0	-0.029	0.020	54.290	0.000	0.000	0.000	0.000	0.000	0.000
553	A	631	GLU	-1	-0.804	-0.872	54.029	-0.018	-0.018	0.000	0.000	0.000	0.000
554	A	632	GLU	-1	-0.853	-0.935	48.049	-0.022	-0.022	0.000	0.000	0.000	0.000
555	A	633	SER	0	0.006	-0.003	52.234	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	634	PRO	0	0.120	0.040	50.899	-0.001	-0.001	0.000	0.000	0.000	0.000
557	A	635	GLU	-1	-0.924	-0.964	49.962	-0.028	-0.028	0.000	0.000	0.000	0.000
558	A	636	HIS	0	-0.085	-0.045	46.255	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	637	LEU	0	0.071	0.034	46.315	-0.002	-0.002	0.000	0.000	0.000	0.000
560	A	638	ASN	0	-0.026	-0.008	45.259	-0.003	-0.003	0.000	0.000	0.000	0.000
561	A	639	LYS	1	0.881	0.954	43.970	0.027	0.027	0.000	0.000	0.000	0.000
562	A	640	PHE	0	-0.010	0.013	38.542	-0.002	-0.002	0.000	0.000	0.000	0.000
563	A	641	PRO	0	-0.009	-0.002	36.493	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	642	ILE	0	-0.020	0.002	38.050	0.001	0.001	0.000	0.000	0.000	0.000
565	A	643	ILE	0	-0.016	0.001	33.440	-0.003	-0.003	0.000	0.000	0.000	0.000
566	A	644	SER	0	-0.007	-0.026	36.593	0.004	0.004	0.000	0.000	0.000	0.000
567	A	645	ILE	0	0.099	0.026	37.589	-0.003	-0.003	0.000	0.000	0.000	0.000
568	A	646	SER	0	-0.117	-0.067	37.584	-0.002	-0.002	0.000	0.000	0.000	0.000
569	A	647	ASP	-1	-0.789	-0.847	33.325	-0.080	-0.080	0.000	0.000	0.000	0.000
570	A	648	LEU	0	0.006	0.017	33.302	-0.004	-0.004	0.000	0.000	0.000	0.000
571	A	649	ASN	0	-0.048	-0.031	31.421	-0.006	-0.006	0.000	0.000	0.000	0.000
572	A	650	LYS	1	0.973	0.970	34.639	0.072	0.072	0.000	0.000	0.000	0.000
573	A	651	LYS	1	0.873	0.935	36.191	0.058	0.058	0.000	0.000	0.000	0.000
574	A	652	THR	0	0.055	0.043	35.666	-0.004	-0.004	0.000	0.000	0.000	0.000
575	A	653	LEU	0	0.020	0.019	29.753	0.000	0.000	0.000	0.000	0.000	0.000
576	A	654	GLU	-1	-0.777	-0.860	33.999	-0.037	-0.037	0.000	0.000	0.000	0.000
577	A	655	VAL	0	-0.039	-0.017	31.429	-0.004	-0.004	0.000	0.000	0.000	0.000
578	A	656	PRO	0	0.005	0.002	30.929	0.004	0.004	0.000	0.000	0.000	0.000
579	A	657	VAL	0	0.002	-0.005	33.146	0.002	0.002	0.000	0.000	0.000	0.000
580	A	658	ASN	0	-0.028	-0.001	33.428	-0.002	-0.002	0.000	0.000	0.000	0.000
581	A	659	VAL	0	0.019	0.008	36.568	0.003	0.003	0.000	0.000	0.000	0.000
582	A	660	TYR	0	-0.005	-0.031	37.218	0.000	0.000	0.000	0.000	0.000	0.000
583	A	661	PHE	0	0.007	0.009	40.006	0.002	0.002	0.000	0.000	0.000	0.000
584	A	662	THR	0	0.017	0.008	41.038	0.000	0.000	0.000	0.000	0.000	0.000
585	A	663	ASN	0	0.034	0.028	44.017	0.001	0.001	0.000	0.000	0.000	0.000
586	A	664	ILE	0	0.035	0.006	41.165	0.001	0.001	0.000	0.000	0.000	0.000
587	A	665	ASN	0	0.031	0.013	43.661	0.000	0.000	0.000	0.000	0.000	0.000
588	A	666	GLU	-1	-0.860	-0.925	46.305	0.001	0.001	0.000	0.000	0.000	0.000
589	A	667	ASN	0	-0.058	-0.025	42.064	0.001	0.001	0.000	0.000	0.000	0.000
590	A	668	ASN	0	0.035	0.012	42.984	0.002	0.002	0.000	0.000	0.000	0.000
591	A	669	ASN	0	-0.043	-0.023	38.076	0.001	0.001	0.000	0.000	0.000	0.000
592	A	670	ILE	0	0.080	0.071	37.305	-0.002	-0.002	0.000	0.000	0.000	0.000
593	A	671	MET	0	0.046	0.038	30.580	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	672	GLU	-1	-0.814	-0.887	35.661	-0.014	-0.014	0.000	0.000	0.000	0.000
595	A	673	THR	0	-0.036	-0.023	37.316	-0.003	-0.003	0.000	0.000	0.000	0.000
596	A	674	TYR	0	-0.018	-0.028	32.012	-0.002	-0.002	0.000	0.000	0.000	0.000
597	A	675	ASN	0	0.007	-0.008	33.022	-0.005	-0.005	0.000	0.000	0.000	0.000
598	A	676	LYS	1	0.861	0.911	35.409	0.008	0.008	0.000	0.000	0.000	0.000
599	A	677	LEU	0	-0.018	0.000	38.399	-0.002	-0.002	0.000	0.000	0.000	0.000
600	A	678	LYS	1	0.828	0.902	30.271	0.034	0.034	0.000	0.000	0.000	0.000
601	A	679	THR	0	-0.019	0.001	35.294	-0.003	-0.003	0.000	0.000	0.000	0.000
602	A	680	ASN	0	-0.007	0.007	37.605	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	681	GLU	-1	-0.865	-0.947	39.368	-0.040	-0.040	0.000	0.000	0.000	0.000
604	A	682	HIS	0	-0.030	-0.006	41.570	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	683	MET	0	-0.024	-0.020	43.289	0.002	0.002	0.000	0.000	0.000	0.000
606	A	684	LEU	0	0.004	0.005	37.632	0.002	0.002	0.000	0.000	0.000	0.000
607	A	685	LYS	1	0.862	0.922	41.760	0.025	0.025	0.000	0.000	0.000	0.000
608	A	686	ASP	-1	-0.876	-0.931	44.261	-0.018	-0.018	0.000	0.000	0.000	0.000
609	A	687	ASN	0	-0.045	-0.037	42.003	0.002	0.002	0.000	0.000	0.000	0.000
610	A	688	MET	0	0.037	0.027	40.177	0.002	0.002	0.000	0.000	0.000	0.000
611	A	689	ASP	-1	-0.825	-0.898	44.141	-0.022	-0.022	0.000	0.000	0.000	0.000
612	A	690	VAL	0	-0.071	-0.036	47.751	0.001	0.001	0.000	0.000	0.000	0.000
613	A	691	PHE	0	0.014	0.002	42.683	0.001	0.001	0.000	0.000	0.000	0.000
614	A	692	LEU	0	0.037	0.019	45.005	0.001	0.001	0.000	0.000	0.000	0.000
615	A	693	LYS	1	0.936	0.964	47.837	0.015	0.015	0.000	0.000	0.000	0.000
616	A	694	LYS	1	0.818	0.899	49.898	0.008	0.008	0.000	0.000	0.000	0.000
617	A	695	TYR	0	0.001	-0.012	46.726	0.001	0.001	0.000	0.000	0.000	0.000
618	A	696	VAL	0	-0.008	0.025	45.788	0.000	0.000	0.000	0.000	0.000	0.000
619	A	697	LEU	0	-0.050	-0.016	48.651	0.001	0.001	0.000	0.000	0.000	0.000
620	A	698	LYS	1	0.904	0.963	52.200	0.012	0.012	0.000	0.000	0.000	0.000
621	A	721	THR	0	0.069	0.015	55.287	0.000	0.000	0.000	0.000	0.000	0.000
622	A	722	LYS	1	0.905	0.955	48.053	0.015	0.015	0.000	0.000	0.000	0.000
623	A	723	TYR	0	0.015	-0.005	46.585	0.000	0.000	0.000	0.000	0.000	0.000
624	A	724	GLU	-1	-0.818	-0.900	50.461	-0.006	-0.006	0.000	0.000	0.000	0.000
625	A	725	GLY	0	0.042	0.030	50.897	0.000	0.000	0.000	0.000	0.000	0.000
626	A	726	ASN	0	-0.129	-0.076	46.458	0.000	0.000	0.000	0.000	0.000	0.000
627	A	727	VAL	0	0.029	0.014	42.750	0.000	0.000	0.000	0.000	0.000	0.000
628	A	728	PRO	0	-0.020	0.013	42.507	-0.001	-0.001	0.000	0.000	0.000	0.000
629	A	729	ILE	0	-0.004	-0.018	36.460	0.001	0.001	0.000	0.000	0.000	0.000
630	A	730	LEU	0	0.000	-0.001	36.766	-0.002	-0.002	0.000	0.000	0.000	0.000
631	A	731	VAL	0	-0.029	-0.019	31.675	0.002	0.002	0.000	0.000	0.000	0.000
632	A	732	TYR	0	0.027	-0.016	30.272	-0.003	-0.003	0.000	0.000	0.000	0.000
633	A	733	GLU	-1	-0.780	-0.866	27.503	-0.032	-0.032	0.000	0.000	0.000	0.000
634	A	734	MET	0	-0.032	-0.011	25.070	-0.007	-0.007	0.000	0.000	0.000	0.000
635	A	735	PRO	0	0.035	0.016	19.753	0.009	0.009	0.000	0.000	0.000	0.000
636	A	736	THR	0	-0.047	-0.047	21.391	-0.004	-0.004	0.000	0.000	0.000	0.000
637	A	737	THR	0	-0.009	0.003	15.433	0.006	0.006	0.000	0.000	0.000	0.000
638	A	738	GLY	0	0.024	0.014	18.393	0.021	0.021	0.000	0.000	0.000	0.000
639	A	739	ILE	0	0.005	0.012	20.331	0.011	0.011	0.000	0.000	0.000	0.000
640	A	740	VAL	0	-0.029	0.006	23.355	-0.010	-0.010	0.000	0.000	0.000	0.000
641	A	741	TYR	0	-0.052	-0.043	24.405	0.002	0.002	0.000	0.000	0.000	0.000
642	A	742	LEU	0	0.001	-0.003	29.360	-0.004	-0.004	0.000	0.000	0.000	0.000
643	A	743	GLN	0	0.041	0.031	32.956	0.001	0.001	0.000	0.000	0.000	0.000
644	A	744	PHE	0	0.025	0.009	36.129	-0.001	-0.001	0.000	0.000	0.000	0.000
645	A	745	VAL	0	0.008	0.000	39.457	0.001	0.001	0.000	0.000	0.000	0.000
646	A	746	PHE	0	0.022	0.015	42.025	0.000	0.000	0.000	0.000	0.000	0.000
647	A	747	SER	0	-0.013	-0.016	45.858	0.000	0.000	0.000	0.000	0.000	0.000
648	A	748	LEU	0	0.016	-0.006	47.603	0.001	0.001	0.000	0.000	0.000	0.000
649	A	749	ASP	-1	-0.856	-0.915	50.971	-0.006	-0.006	0.000	0.000	0.000	0.000
650	A	750	HIS	0	0.005	-0.005	51.864	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	751	LEU	0	-0.033	-0.009	51.700	0.001	0.001	0.000	0.000	0.000	0.000
652	A	752	THR	0	0.049	0.013	55.623	-0.001	-0.001	0.000	0.000	0.000	0.000
653	A	753	VAL	0	0.005	-0.022	56.835	0.000	0.000	0.000	0.000	0.000	0.000
654	A	754	ASP	-1	-0.917	-0.946	57.285	0.001	0.001	0.000	0.000	0.000	0.000
655	A	755	GLU	-1	-0.799	-0.889	54.853	0.002	0.002	0.000	0.000	0.000	0.000
656	A	756	LEU	0	-0.019	-0.006	52.077	0.000	0.000	0.000	0.000	0.000	0.000
657	A	757	ALA	0	0.029	0.016	52.177	0.000	0.000	0.000	0.000	0.000	0.000
658	A	758	TYR	0	0.013	0.007	52.907	0.001	0.001	0.000	0.000	0.000	0.000
659	A	759	LEU	0	-0.026	-0.006	48.209	0.001	0.001	0.000	0.000	0.000	0.000
660	A	760	ASN	0	0.016	0.019	46.580	0.002	0.002	0.000	0.000	0.000	0.000
661	A	761	LEU	0	0.067	0.031	46.696	0.001	0.001	0.000	0.000	0.000	0.000
662	A	762	PHE	0	0.022	0.014	47.222	0.001	0.001	0.000	0.000	0.000	0.000
663	A	763	LYS	1	0.859	0.906	41.506	-0.002	-0.002	0.000	0.000	0.000	0.000
664	A	764	THR	0	-0.031	-0.016	42.764	0.001	0.001	0.000	0.000	0.000	0.000
665	A	765	LEU	0	0.031	0.012	43.279	0.002	0.002	0.000	0.000	0.000	0.000
666	A	766	ILE	0	-0.032	-0.019	42.876	0.002	0.002	0.000	0.000	0.000	0.000
667	A	767	LEU	0	-0.032	-0.006	38.244	0.001	0.001	0.000	0.000	0.000	0.000
668	A	768	GLU	-1	-0.783	-0.863	39.774	0.021	0.021	0.000	0.000	0.000	0.000
669	A	769	ASN	0	0.013	0.012	41.950	0.001	0.001	0.000	0.000	0.000	0.000
670	A	770	LYS	1	0.896	0.942	44.401	-0.017	-0.017	0.000	0.000	0.000	0.000
671	A	771	THR	0	-0.048	-0.032	44.181	-0.001	-0.001	0.000	0.000	0.000	0.000
672	A	772	ASN	0	-0.050	-0.041	47.338	0.000	0.000	0.000	0.000	0.000	0.000
673	A	773	LYS	1	0.819	0.900	43.554	-0.024	-0.024	0.000	0.000	0.000	0.000
674	A	774	ARG	1	0.820	0.892	41.390	-0.029	-0.029	0.000	0.000	0.000	0.000
675	A	775	SER	0	0.001	-0.018	44.738	-0.002	-0.002	0.000	0.000	0.000	0.000
676	A	776	SER	0	0.016	-0.026	43.971	0.001	0.001	0.000	0.000	0.000	0.000
677	A	777	GLU	-1	-0.865	-0.929	41.143	0.036	0.036	0.000	0.000	0.000	0.000
678	A	778	ASP	-1	-0.828	-0.896	40.124	0.035	0.035	0.000	0.000	0.000	0.000
679	A	779	PHE	0	-0.061	-0.035	39.473	0.002	0.002	0.000	0.000	0.000	0.000
680	A	780	VAL	0	-0.001	0.000	37.011	0.001	0.001	0.000	0.000	0.000	0.000
681	A	781	ILE	0	0.028	0.025	35.083	0.002	0.002	0.000	0.000	0.000	0.000
682	A	782	LEU	0	-0.033	-0.012	34.466	0.004	0.004	0.000	0.000	0.000	0.000
683	A	783	ARG	1	0.823	0.883	34.264	-0.026	-0.026	0.000	0.000	0.000	0.000
684	A	784	GLU	-1	-0.769	-0.867	31.681	0.038	0.038	0.000	0.000	0.000	0.000
685	A	785	LYS	1	0.773	0.895	30.128	-0.060	-0.060	0.000	0.000	0.000	0.000
686	A	786	ASN	0	-0.052	-0.030	29.201	0.010	0.010	0.000	0.000	0.000	0.000
687	A	787	ILE	0	-0.036	-0.022	29.592	0.000	0.000	0.000	0.000	0.000	0.000
688	A	788	GLY	0	0.029	0.022	27.172	0.000	0.000	0.000	0.000	0.000	0.000
689	A	789	SER	0	0.024	0.011	27.963	-0.002	-0.002	0.000	0.000	0.000	0.000
690	A	790	MET	0	-0.016	-0.003	30.586	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	791	SER	0	-0.033	-0.012	34.216	-0.001	-0.001	0.000	0.000	0.000	0.000
692	A	792	ALA	0	0.074	0.037	36.558	0.000	0.000	0.000	0.000	0.000	0.000
693	A	793	ASN	0	-0.054	-0.015	37.400	0.000	0.000	0.000	0.000	0.000	0.000
694	A	794	VAL	0	0.063	0.039	41.128	0.000	0.000	0.000	0.000	0.000	0.000
695	A	795	ALA	0	-0.031	0.002	41.955	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	796	LEU	0	0.033	0.012	44.001	0.001	0.001	0.000	0.000	0.000	0.000
697	A	797	TYR	0	-0.046	-0.025	45.321	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	798	SER	0	0.027	0.005	47.319	0.001	0.001	0.000	0.000	0.000	0.000
699	A	799	LYS	1	0.887	0.944	48.566	0.015	0.015	0.000	0.000	0.000	0.000
700	A	800	ASP	-1	-0.839	-0.924	46.811	-0.020	-0.020	0.000	0.000	0.000	0.000
701	A	801	ASP	-1	-0.907	-0.958	50.297	-0.017	-0.017	0.000	0.000	0.000	0.000
702	A	802	HIS	1	0.819	0.892	50.221	0.022	0.022	0.000	0.000	0.000	0.000
703	A	803	LEU	0	0.011	0.011	48.082	0.000	0.000	0.000	0.000	0.000	0.000
704	A	804	ASN	0	-0.052	-0.040	51.797	0.000	0.000	0.000	0.000	0.000	0.000
705	A	805	VAL	0	-0.011	0.009	53.844	0.000	0.000	0.000	0.000	0.000	0.000
706	A	806	THR	0	-0.025	-0.006	52.666	0.001	0.001	0.000	0.000	0.000	0.000
707	A	807	ASP	-1	-0.847	-0.940	55.749	-0.010	-0.010	0.000	0.000	0.000	0.000
708	A	808	LYS	1	0.792	0.872	57.079	0.009	0.009	0.000	0.000	0.000	0.000
709	A	809	TYR	0	-0.020	-0.026	58.123	0.001	0.001	0.000	0.000	0.000	0.000
710	A	810	ASN	0	0.012	0.043	53.217	0.001	0.001	0.000	0.000	0.000	0.000
711	A	811	ALA	0	-0.005	-0.016	52.195	0.000	0.000	0.000	0.000	0.000	0.000
712	A	812	GLN	0	0.013	0.022	49.870	0.000	0.000	0.000	0.000	0.000	0.000
713	A	813	ALA	0	0.031	0.011	48.033	0.000	0.000	0.000	0.000	0.000	0.000
714	A	814	LEU	0	-0.018	-0.002	43.363	0.000	0.000	0.000	0.000	0.000	0.000
715	A	815	PHE	0	0.044	0.016	42.833	0.000	0.000	0.000	0.000	0.000	0.000
716	A	816	ASN	0	-0.039	-0.035	37.317	0.001	0.001	0.000	0.000	0.000	0.000
717	A	817	LEU	0	0.034	0.022	38.696	0.001	0.001	0.000	0.000	0.000	0.000
718	A	818	GLU	-1	-0.781	-0.863	32.545	-0.003	-0.003	0.000	0.000	0.000	0.000
719	A	819	MET	0	-0.021	-0.005	32.450	0.004	0.004	0.000	0.000	0.000	0.000
720	A	820	HIS	1	0.763	0.870	27.216	-0.010	-0.010	0.000	0.000	0.000	0.000
721	A	821	VAL	0	0.056	0.026	27.397	0.004	0.004	0.000	0.000	0.000	0.000
722	A	822	LEU	0	0.078	0.041	21.468	-0.003	-0.003	0.000	0.000	0.000	0.000
723	A	823	SER	0	0.029	-0.001	23.515	-0.001	-0.001	0.000	0.000	0.000	0.000
724	A	824	HIS	0	0.002	-0.001	23.372	-0.010	-0.010	0.000	0.000	0.000	0.000
725	A	825	LYS	1	0.841	0.917	26.538	-0.063	-0.063	0.000	0.000	0.000	0.000
726	A	826	CYS	0	-0.047	-0.014	28.521	-0.006	-0.006	0.000	0.000	0.000	0.000
727	A	827	ASN	0	0.095	0.063	31.012	-0.006	-0.006	0.000	0.000	0.000	0.000
728	A	828	ASP	-1	-0.859	-0.927	31.934	0.048	0.048	0.000	0.000	0.000	0.000
729	A	829	ALA	0	0.027	0.007	32.000	-0.002	-0.002	0.000	0.000	0.000	0.000
730	A	830	LEU	0	-0.022	-0.007	34.027	-0.003	-0.003	0.000	0.000	0.000	0.000
731	A	831	ASN	0	-0.019	-0.014	36.774	-0.004	-0.004	0.000	0.000	0.000	0.000
732	A	832	ILE	0	-0.025	-0.009	34.723	-0.001	-0.001	0.000	0.000	0.000	0.000
733	A	833	ALA	0	0.016	0.003	37.847	-0.002	-0.002	0.000	0.000	0.000	0.000
734	A	834	LEU	0	0.002	0.004	39.562	-0.002	-0.002	0.000	0.000	0.000	0.000
735	A	835	GLU	-1	-0.748	-0.825	41.963	0.026	0.026	0.000	0.000	0.000	0.000
736	A	836	ALA	0	-0.002	0.000	41.047	-0.001	-0.001	0.000	0.000	0.000	0.000
737	A	837	VAL	0	-0.024	0.001	43.026	-0.001	-0.001	0.000	0.000	0.000	0.000
738	A	838	LYS	1	0.846	0.942	45.526	-0.013	-0.013	0.000	0.000	0.000	0.000
739	A	839	GLU	-1	-0.906	-0.953	46.610	0.016	0.016	0.000	0.000	0.000	0.000
740	A	840	SER	0	0.031	0.027	46.287	0.001	0.001	0.000	0.000	0.000	0.000
741	A	841	ASP	-1	-0.745	-0.836	48.149	0.015	0.015	0.000	0.000	0.000	0.000
742	A	842	PHE	0	-0.013	-0.018	49.109	0.000	0.000	0.000	0.000	0.000	0.000
743	A	843	SER	0	-0.036	-0.035	52.785	-0.001	-0.001	0.000	0.000	0.000	0.000
744	A	844	ASN	0	-0.055	-0.028	49.025	0.000	0.000	0.000	0.000	0.000	0.000
745	A	845	LYS	1	0.915	0.948	52.353	-0.011	-0.011	0.000	0.000	0.000	0.000
746	A	846	LYS	1	0.815	0.900	49.642	-0.019	-0.019	0.000	0.000	0.000	0.000
747	A	847	LYS	1	0.837	0.926	44.082	-0.021	-0.021	0.000	0.000	0.000	0.000
748	A	848	VAL	0	0.013	-0.004	49.459	0.000	0.000	0.000	0.000	0.000	0.000
749	A	849	ILE	0	0.021	0.005	51.502	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	850	ASP	-1	-0.823	-0.892	48.233	0.016	0.016	0.000	0.000	0.000	0.000
751	A	851	ILE	0	-0.067	-0.037	45.907	0.000	0.000	0.000	0.000	0.000	0.000
752	A	852	LEU	0	-0.012	-0.006	48.287	-0.001	-0.001	0.000	0.000	0.000	0.000
753	A	853	LYS	1	0.897	0.950	51.277	-0.012	-0.012	0.000	0.000	0.000	0.000
754	A	854	ARG	1	0.864	0.914	42.458	-0.016	-0.016	0.000	0.000	0.000	0.000
755	A	855	LYS	1	0.792	0.895	44.636	-0.008	-0.008	0.000	0.000	0.000	0.000
756	A	856	ILE	0	0.027	0.022	48.089	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	857	ASN	0	-0.015	-0.003	48.516	-0.001	-0.001	0.000	0.000	0.000	0.000
758	A	858	GLY	0	0.029	0.013	46.150	0.000	0.000	0.000	0.000	0.000	0.000
759	A	859	MET	0	0.000	0.002	46.895	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	860	LYS	1	0.967	1.011	48.924	-0.005	-0.005	0.000	0.000	0.000	0.000
761	A	861	THR	0	-0.017	-0.018	46.245	0.000	0.000	0.000	0.000	0.000	0.000
762	A	862	THR	0	-0.049	-0.035	45.256	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	863	PHE	0	-0.008	-0.010	47.744	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	864	SER	0	-0.016	-0.011	50.298	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	865	GLU	-1	-0.832	-0.868	45.087	0.003	0.003	0.000	0.000	0.000	0.000
766	A	866	LYS	1	0.871	0.915	39.727	0.004	0.004	0.000	0.000	0.000	0.000
767	A	867	GLY	0	0.101	0.062	46.722	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	868	TYR	0	0.039	0.008	42.923	0.000	0.000	0.000	0.000	0.000	0.000
769	A	869	ALA	0	-0.038	-0.018	45.169	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	870	ILE	0	-0.010	0.007	47.027	-0.001	-0.001	0.000	0.000	0.000	0.000
771	A	871	LEU	0	-0.012	-0.010	49.921	0.000	0.000	0.000	0.000	0.000	0.000
772	A	872	MET	0	-0.022	0.011	46.777	-0.001	-0.001	0.000	0.000	0.000	0.000
773	A	873	LYS	1	0.923	0.959	45.881	0.011	0.011	0.000	0.000	0.000	0.000
774	A	874	TYR	0	-0.035	-0.047	50.863	0.000	0.000	0.000	0.000	0.000	0.000
775	A	875	VAL	0	-0.014	0.007	53.579	0.000	0.000	0.000	0.000	0.000	0.000
776	A	876	LYS	1	0.854	0.902	51.060	0.013	0.013	0.000	0.000	0.000	0.000
777	A	877	ALA	0	-0.044	-0.027	55.574	0.000	0.000	0.000	0.000	0.000	0.000
778	A	878	HIS	0	0.027	0.004	56.508	0.000	0.000	0.000	0.000	0.000	0.000
779	A	879	LEU	0	0.028	0.031	57.247	0.000	0.000	0.000	0.000	0.000	0.000
780	A	880	ASN	0	0.006	0.004	54.324	0.000	0.000	0.000	0.000	0.000	0.000
781	A	881	SER	0	0.078	0.023	56.536	0.001	0.001	0.000	0.000	0.000	0.000
782	A	882	LYS	1	0.919	0.981	47.799	0.014	0.014	0.000	0.000	0.000	0.000
783	A	883	HIS	0	-0.061	-0.049	50.670	0.000	0.000	0.000	0.000	0.000	0.000
784	A	884	TYR	0	0.013	0.019	53.284	0.001	0.001	0.000	0.000	0.000	0.000
785	A	885	ALA	0	0.012	-0.003	52.692	0.001	0.001	0.000	0.000	0.000	0.000
786	A	886	HIS	0	0.021	-0.002	46.104	0.000	0.000	0.000	0.000	0.000	0.000
787	A	887	ASN	0	0.015	-0.002	50.914	0.001	0.001	0.000	0.000	0.000	0.000
788	A	888	ILE	0	0.030	0.020	53.415	0.001	0.001	0.000	0.000	0.000	0.000
789	A	889	ILE	0	-0.026	0.004	48.130	0.001	0.001	0.000	0.000	0.000	0.000
790	A	890	TYR	0	-0.093	-0.078	44.014	0.002	0.002	0.000	0.000	0.000	0.000
791	A	891	GLY	0	-0.029	0.005	48.903	0.000	0.000	0.000	0.000	0.000	0.000
792	A	892	TYR	0	0.071	0.023	51.138	0.001	0.001	0.000	0.000	0.000	0.000
793	A	893	GLU	-1	-0.862	-0.946	54.223	0.000	0.000	0.000	0.000	0.000	0.000
794	A	894	ASN	0	-0.004	-0.001	50.855	0.001	0.001	0.000	0.000	0.000	0.000
795	A	895	TYR	0	-0.022	-0.036	52.486	0.001	0.001	0.000	0.000	0.000	0.000
796	A	896	LEU	0	0.007	0.010	53.923	0.001	0.001	0.000	0.000	0.000	0.000
797	A	897	LYS	1	0.818	0.894	55.390	-0.001	-0.001	0.000	0.000	0.000	0.000
798	A	898	LEU	0	-0.054	-0.030	50.225	0.001	0.001	0.000	0.000	0.000	0.000
799	A	899	GLN	0	0.026	0.006	54.647	0.000	0.000	0.000	0.000	0.000	0.000
800	A	900	GLU	-1	-0.826	-0.884	57.406	0.003	0.003	0.000	0.000	0.000	0.000
801	A	901	GLN	0	-0.043	-0.031	53.787	0.001	0.001	0.000	0.000	0.000	0.000
802	A	902	LEU	0	-0.020	-0.013	55.080	0.001	0.001	0.000	0.000	0.000	0.000
803	A	903	GLU	-1	-0.844	-0.927	57.336	0.007	0.007	0.000	0.000	0.000	0.000
804	A	904	LEU	0	-0.007	0.012	59.596	0.000	0.000	0.000	0.000	0.000	0.000
805	A	905	ALA	0	-0.022	-0.023	56.863	0.000	0.000	0.000	0.000	0.000	0.000
806	A	906	GLU	-1	-0.858	-0.946	58.124	0.011	0.011	0.000	0.000	0.000	0.000
807	A	907	ASN	0	-0.074	-0.035	61.021	0.000	0.000	0.000	0.000	0.000	0.000
808	A	908	ASP	-1	-0.871	-0.917	62.949	0.007	0.007	0.000	0.000	0.000	0.000
809	A	909	PHE	0	-0.005	0.015	54.853	0.000	0.000	0.000	0.000	0.000	0.000
810	A	910	LYS	1	0.850	0.908	59.710	-0.010	-0.010	0.000	0.000	0.000	0.000
811	A	911	THR	0	-0.002	-0.027	60.968	0.000	0.000	0.000	0.000	0.000	0.000
812	A	912	LEU	0	0.007	0.012	55.032	0.000	0.000	0.000	0.000	0.000	0.000
813	A	913	GLU	-1	-0.824	-0.900	56.159	0.010	0.010	0.000	0.000	0.000	0.000
814	A	914	ASN	0	-0.024	-0.030	56.607	0.000	0.000	0.000	0.000	0.000	0.000
815	A	915	ILE	0	0.001	0.012	56.004	0.000	0.000	0.000	0.000	0.000	0.000
816	A	916	LEU	0	-0.021	-0.008	51.502	0.000	0.000	0.000	0.000	0.000	0.000
817	A	917	VAL	0	0.020	0.013	53.066	0.000	0.000	0.000	0.000	0.000	0.000
818	A	918	ARG	1	0.926	0.977	54.440	-0.003	-0.003	0.000	0.000	0.000	0.000
819	A	919	ILE	0	0.040	0.009	50.940	-0.001	-0.001	0.000	0.000	0.000	0.000
820	A	920	ARG	1	0.830	0.913	48.814	-0.010	-0.010	0.000	0.000	0.000	0.000
821	A	921	ASN	0	-0.029	-0.022	50.740	0.000	0.000	0.000	0.000	0.000	0.000
822	A	922	LYS	1	0.780	0.877	53.230	-0.001	-0.001	0.000	0.000	0.000	0.000
823	A	923	ILE	0	-0.009	0.008	47.128	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	924	PHE	0	-0.030	-0.008	43.465	-0.001	-0.001	0.000	0.000	0.000	0.000
825	A	925	ASN	0	-0.009	0.014	48.264	0.000	0.000	0.000	0.000	0.000	0.000
826	A	926	LYS	1	0.916	0.952	47.217	-0.002	-0.002	0.000	0.000	0.000	0.000
827	A	927	LYS	1	0.850	0.926	48.243	-0.001	-0.001	0.000	0.000	0.000	0.000
828	A	928	ASN	0	-0.026	-0.017	49.039	-0.001	-0.001	0.000	0.000	0.000	0.000
829	A	929	LEU	0	-0.073	-0.010	41.897	0.000	0.000	0.000	0.000	0.000	0.000
830	A	930	MET	0	-0.010	-0.003	42.037	-0.002	-0.002	0.000	0.000	0.000	0.000
831	A	931	VAL	0	0.003	0.005	36.807	0.001	0.001	0.000	0.000	0.000	0.000
832	A	932	SER	0	-0.027	0.007	34.546	-0.002	-0.002	0.000	0.000	0.000	0.000
833	A	933	VAL	0	0.016	-0.002	30.611	0.004	0.004	0.000	0.000	0.000	0.000
834	A	934	THR	0	-0.023	-0.001	27.182	-0.006	-0.006	0.000	0.000	0.000	0.000
835	A	935	SER	0	0.009	-0.014	25.523	0.009	0.009	0.000	0.000	0.000	0.000
836	A	936	ASP	-1	-0.790	-0.869	20.959	-0.034	-0.034	0.000	0.000	0.000	0.000
837	A	937	TYR	0	0.017	-0.013	24.173	0.008	0.008	0.000	0.000	0.000	0.000
838	A	938	GLY	0	-0.011	-0.006	23.861	0.006	0.006	0.000	0.000	0.000	0.000
839	A	939	ALA	0	-0.032	-0.021	23.273	0.011	0.011	0.000	0.000	0.000	0.000
840	A	940	LEU	0	0.054	0.031	25.238	0.005	0.005	0.000	0.000	0.000	0.000
841	A	941	LYS	1	0.977	0.996	24.508	-0.030	-0.030	0.000	0.000	0.000	0.000
842	A	942	HIS	0	-0.002	-0.007	23.951	0.000	0.000	0.000	0.000	0.000	0.000
843	A	943	LEU	0	0.012	0.030	29.236	0.002	0.002	0.000	0.000	0.000	0.000
844	A	944	PHE	0	0.007	-0.023	32.161	0.000	0.000	0.000	0.000	0.000	0.000
845	A	945	VAL	0	-0.018	-0.010	32.408	-0.001	-0.001	0.000	0.000	0.000	0.000
846	A	946	ASN	0	-0.016	-0.016	29.012	-0.002	-0.002	0.000	0.000	0.000	0.000
847	A	947	SER	0	0.002	0.000	32.577	0.004	0.004	0.000	0.000	0.000	0.000
848	A	948	ASN	0	-0.063	-0.025	35.105	-0.003	-0.003	0.000	0.000	0.000	0.000
849	A	949	GLU	-1	-0.850	-0.929	38.048	0.021	0.021	0.000	0.000	0.000	0.000
850	A	950	SER	0	0.036	-0.001	36.731	-0.002	-0.002	0.000	0.000	0.000	0.000
851	A	951	LEU	0	0.005	-0.003	37.220	-0.002	-0.002	0.000	0.000	0.000	0.000
852	A	952	LYS	1	0.798	0.887	39.630	-0.010	-0.010	0.000	0.000	0.000	0.000
853	A	953	ASN	0	-0.013	-0.013	42.630	-0.003	-0.003	0.000	0.000	0.000	0.000
854	A	954	LEU	0	-0.038	0.003	39.704	-0.001	-0.001	0.000	0.000	0.000	0.000
855	A	955	VAL	0	0.005	-0.016	42.323	-0.001	-0.001	0.000	0.000	0.000	0.000
856	A	956	SER	0	0.014	0.009	44.942	-0.001	-0.001	0.000	0.000	0.000	0.000
857	A	957	TYR	0	-0.005	0.001	46.479	0.000	0.000	0.000	0.000	0.000	0.000
858	A	958	PHE	0	-0.009	-0.020	42.630	-0.001	-0.001	0.000	0.000	0.000	0.000
859	A	959	GLU	-1	-0.926	-0.968	48.377	0.003	0.003	0.000	0.000	0.000	0.000
860	A	960	GLU	-1	-0.805	-0.898	51.012	0.010	0.010	0.000	0.000	0.000	0.000
861	A	961	ASN	0	-0.066	-0.055	50.079	0.000	0.000	0.000	0.000	0.000	0.000
862	A	962	ASP	-1	-0.739	-0.878	52.114	0.000	0.000	0.000	0.000	0.000	0.000
863	A	963	LYS	1	0.859	0.931	54.500	-0.006	-0.006	0.000	0.000	0.000	0.000
864	A	964	TYR	0	-0.068	-0.031	54.963	0.000	0.000	0.000	0.000	0.000	0.000
865	A	965	ILE	0	-0.048	-0.021	53.140	0.000	0.000	0.000	0.000	0.000	0.000
866	A	966	ASN	0	0.004	-0.011	57.650	0.000	0.000	0.000	0.000	0.000	0.000
867	A	967	ASP	-1	-0.829	-0.906	59.844	-0.001	-0.001	0.000	0.000	0.000	0.000
868	A	968	MET	0	-0.040	-0.005	61.015	-0.001	-0.001	0.000	0.000	0.000	0.000
869	A	969	GLN	0	-0.097	-0.042	59.997	0.000	0.000	0.000	0.000	0.000	0.000
870	A	970	ASN	0	-0.024	-0.017	64.106	0.000	0.000	0.000	0.000	0.000	0.000
871	A	971	LYS	1	0.872	0.924	67.834	0.004	0.004	0.000	0.000	0.000	0.000
872	A	972	VAL	0	-0.005	-0.008	71.108	0.000	0.000	0.000	0.000	0.000	0.000
873	A	973	ASN	0	0.030	0.025	66.918	0.000	0.000	0.000	0.000	0.000	0.000
874	A	974	ASP	-1	-0.880	-0.926	65.491	-0.001	-0.001	0.000	0.000	0.000	0.000
875	A	975	PRO	0	-0.014	-0.016	67.722	0.000	0.000	0.000	0.000	0.000	0.000
876	A	976	THR	0	-0.004	-0.006	63.775	0.000	0.000	0.000	0.000	0.000	0.000
877	A	977	VAL	0	-0.005	0.003	62.499	0.000	0.000	0.000	0.000	0.000	0.000
878	A	978	MET	0	-0.066	-0.019	62.288	0.000	0.000	0.000	0.000	0.000	0.000
879	A	979	GLY	0	0.085	0.052	58.718	0.000	0.000	0.000	0.000	0.000	0.000
880	A	980	TRP	0	-0.003	-0.018	52.033	-0.001	-0.001	0.000	0.000	0.000	0.000
881	A	981	ASN	0	-0.097	-0.041	55.527	0.000	0.000	0.000	0.000	0.000	0.000
882	A	982	GLU	-1	-0.745	-0.872	58.125	-0.006	-0.006	0.000	0.000	0.000	0.000
883	A	983	GLU	-1	-0.772	-0.884	61.102	-0.001	-0.001	0.000	0.000	0.000	0.000
884	A	984	ILE	0	-0.020	-0.016	56.841	0.000	0.000	0.000	0.000	0.000	0.000
885	A	985	LYS	1	0.805	0.899	61.341	0.006	0.006	0.000	0.000	0.000	0.000
886	A	986	SER	0	-0.053	-0.045	63.167	0.000	0.000	0.000	0.000	0.000	0.000
887	A	987	LYS	1	0.834	0.912	61.714	0.002	0.002	0.000	0.000	0.000	0.000
888	A	988	LYS	1	0.873	0.958	66.067	0.005	0.005	0.000	0.000	0.000	0.000
889	A	989	LEU	0	0.009	-0.007	62.654	0.000	0.000	0.000	0.000	0.000	0.000
890	A	990	PHE	0	-0.055	-0.018	59.296	0.000	0.000	0.000	0.000	0.000	0.000
891	A	991	ASP	-1	-0.868	-0.937	64.022	-0.007	-0.007	0.000	0.000	0.000	0.000
892	A	992	GLU	-1	-0.810	-0.890	64.718	-0.009	-0.009	0.000	0.000	0.000	0.000
893	A	993	GLU	-1	-0.845	-0.925	66.874	-0.008	-0.008	0.000	0.000	0.000	0.000
894	A	994	LYS	1	0.891	0.970	66.516	0.004	0.004	0.000	0.000	0.000	0.000
895	A	995	VAL	0	0.014	0.011	66.707	0.000	0.000	0.000	0.000	0.000	0.000
896	A	996	LYS	1	0.756	0.893	58.649	0.006	0.006	0.000	0.000	0.000	0.000
897	A	997	LYS	1	0.863	0.926	63.525	0.006	0.006	0.000	0.000	0.000	0.000
898	A	998	GLU	-1	-0.814	-0.892	61.131	-0.003	-0.003	0.000	0.000	0.000	0.000
899	A	999	PHE	0	0.040	0.010	61.319	0.000	0.000	0.000	0.000	0.000	0.000
900	A	1000	PHE	0	-0.017	-0.018	55.498	0.000	0.000	0.000	0.000	0.000	0.000
901	A	1001	VAL	0	-0.032	-0.022	58.991	0.000	0.000	0.000	0.000	0.000	0.000
902	A	1002	LEU	0	0.020	0.006	53.873	0.001	0.001	0.000	0.000	0.000	0.000
903	A	1003	PRO	0	-0.025	-0.020	57.964	0.000	0.000	0.000	0.000	0.000	0.000
904	A	1004	THR	0	-0.022	-0.020	54.400	0.000	0.000	0.000	0.000	0.000	0.000
905	A	1005	PHE	0	0.030	0.017	52.274	0.000	0.000	0.000	0.000	0.000	0.000
906	A	1006	VAL	0	-0.029	-0.001	50.898	-0.001	-0.001	0.000	0.000	0.000	0.000
907	A	1007	ASN	0	0.048	0.029	54.386	0.001	0.001	0.000	0.000	0.000	0.000
908	A	1008	SER	0	-0.073	-0.037	51.854	0.000	0.000	0.000	0.000	0.000	0.000
909	A	1009	VAL	0	0.049	0.025	53.833	0.001	0.001	0.000	0.000	0.000	0.000
910	A	1010	SER	0	-0.004	-0.016	54.013	-0.001	-0.001	0.000	0.000	0.000	0.000
911	A	1011	MET	0	-0.010	-0.009	55.539	0.000	0.000	0.000	0.000	0.000	0.000
912	A	1012	SER	0	0.002	-0.006	55.896	-0.001	-0.001	0.000	0.000	0.000	0.000
913	A	1013	GLY	0	0.067	0.041	57.412	0.001	0.001	0.000	0.000	0.000	0.000
914	A	1014	ILE	0	-0.023	-0.012	57.934	-0.001	-0.001	0.000	0.000	0.000	0.000
915	A	1015	LEU	0	-0.013	-0.016	57.111	0.000	0.000	0.000	0.000	0.000	0.000
916	A	1016	PHE	0	-0.020	-0.013	56.341	0.000	0.000	0.000	0.000	0.000	0.000
917	A	1017	LYS	1	0.839	0.907	60.204	0.014	0.014	0.000	0.000	0.000	0.000
918	A	1018	PRO	0	0.021	-0.007	59.149	-0.001	-0.001	0.000	0.000	0.000	0.000
919	A	1019	GLY	0	-0.023	-0.003	58.592	0.000	0.000	0.000	0.000	0.000	0.000
920	A	1020	GLU	-1	-0.845	-0.902	59.586	-0.015	-0.015	0.000	0.000	0.000	0.000
921	A	1021	TYR	0	0.036	0.017	52.261	0.000	0.000	0.000	0.000	0.000	0.000
922	A	1022	LEU	0	0.005	0.016	51.665	0.001	0.001	0.000	0.000	0.000	0.000
923	A	1023	ASP	-1	-0.755	-0.851	52.009	-0.027	-0.027	0.000	0.000	0.000	0.000
924	A	1024	PRO	0	0.047	0.033	47.364	0.000	0.000	0.000	0.000	0.000	0.000
925	A	1025	SER	0	-0.011	-0.026	48.347	-0.001	-0.001	0.000	0.000	0.000	0.000
926	A	1026	PHE	0	-0.024	-0.025	49.717	0.000	0.000	0.000	0.000	0.000	0.000
927	A	1027	THR	0	0.004	-0.003	45.187	0.001	0.001	0.000	0.000	0.000	0.000
928	A	1028	VAL	0	-0.053	-0.010	45.060	0.000	0.000	0.000	0.000	0.000	0.000
929	A	1029	ILE	0	-0.020	-0.010	46.701	0.000	0.000	0.000	0.000	0.000	0.000
930	A	1030	VAL	0	0.005	0.017	49.439	0.001	0.001	0.000	0.000	0.000	0.000
931	A	1031	ALA	0	0.004	0.007	44.384	0.001	0.001	0.000	0.000	0.000	0.000
932	A	1032	ALA	0	0.024	0.020	46.401	0.000	0.000	0.000	0.000	0.000	0.000
933	A	1033	LEU	0	-0.001	-0.012	47.712	0.001	0.001	0.000	0.000	0.000	0.000
934	A	1034	LYS	1	0.799	0.926	44.201	0.023	0.023	0.000	0.000	0.000	0.000
935	A	1035	ASN	0	0.047	0.005	42.354	0.002	0.002	0.000	0.000	0.000	0.000
936	A	1036	SER	0	-0.049	-0.017	46.249	-0.001	-0.001	0.000	0.000	0.000	0.000
937	A	1037	TYR	0	0.028	0.004	49.018	0.001	0.001	0.000	0.000	0.000	0.000
938	A	1038	LEU	0	-0.008	0.005	50.580	0.001	0.001	0.000	0.000	0.000	0.000
939	A	1039	TRP	0	0.032	0.022	43.407	0.001	0.001	0.000	0.000	0.000	0.000
940	A	1040	ASP	-1	-0.815	-0.937	48.774	-0.019	-0.019	0.000	0.000	0.000	0.000
941	A	1041	THR	0	-0.012	-0.001	50.777	0.001	0.001	0.000	0.000	0.000	0.000
942	A	1042	VAL	0	-0.012	-0.015	51.964	0.001	0.001	0.000	0.000	0.000	0.000
943	A	1043	ARG	1	0.859	0.963	44.216	0.014	0.014	0.000	0.000	0.000	0.000
944	A	1044	GLY	0	-0.036	-0.027	49.763	0.001	0.001	0.000	0.000	0.000	0.000
945	A	1045	LEU	0	-0.070	-0.033	50.553	0.001	0.001	0.000	0.000	0.000	0.000
946	A	1046	ASN	0	-0.098	-0.064	54.036	0.001	0.001	0.000	0.000	0.000	0.000
947	A	1047	GLY	0	0.029	0.028	51.487	0.001	0.001	0.000	0.000	0.000	0.000
948	A	1048	ALA	0	-0.034	-0.011	50.977	0.001	0.001	0.000	0.000	0.000	0.000
949	A	1049	TYR	0	-0.037	-0.014	41.267	-0.001	-0.001	0.000	0.000	0.000	0.000
950	A	1050	GLY	0	0.002	-0.004	45.677	-0.001	-0.001	0.000	0.000	0.000	0.000
951	A	1051	VAL	0	-0.037	-0.019	46.749	0.001	0.001	0.000	0.000	0.000	0.000
952	A	1052	PHE	0	-0.012	-0.014	43.919	-0.001	-0.001	0.000	0.000	0.000	0.000
953	A	1053	ALA	0	0.055	0.011	47.905	0.001	0.001	0.000	0.000	0.000	0.000
954	A	1054	ASP	-1	-0.882	-0.955	45.581	-0.023	-0.023	0.000	0.000	0.000	0.000
955	A	1055	ILE	0	-0.005	0.010	48.862	0.001	0.001	0.000	0.000	0.000	0.000
956	A	1056	GLU	-1	-0.830	-0.903	48.074	-0.016	-0.016	0.000	0.000	0.000	0.000
957	A	1057	TYR	0	0.019	-0.008	48.442	0.000	0.000	0.000	0.000	0.000	0.000
958	A	1058	ASP	-1	-0.792	-0.860	51.638	-0.013	-0.013	0.000	0.000	0.000	0.000
959	A	1059	GLY	0	0.031	0.012	53.874	0.001	0.001	0.000	0.000	0.000	0.000
960	A	1060	SER	0	-0.076	-0.053	53.733	0.000	0.000	0.000	0.000	0.000	0.000
961	A	1061	VAL	0	0.026	0.009	53.288	-0.001	-0.001	0.000	0.000	0.000	0.000
962	A	1062	VAL	0	-0.021	-0.018	51.413	0.001	0.001	0.000	0.000	0.000	0.000
963	A	1063	PHE	0	0.008	0.012	52.098	-0.001	-0.001	0.000	0.000	0.000	0.000
964	A	1064	LEU	0	-0.010	-0.017	48.298	0.001	0.001	0.000	0.000	0.000	0.000
965	A	1065	SER	0	-0.008	-0.014	50.556	-0.001	-0.001	0.000	0.000	0.000	0.000
966	A	1066	ALA	0	-0.016	-0.007	47.406	0.001	0.001	0.000	0.000	0.000	0.000
967	A	1067	ARG	1	0.939	0.960	43.350	0.003	0.003	0.000	0.000	0.000	0.000
968	A	1068	ASP	-1	-0.672	-0.797	50.313	-0.008	-0.008	0.000	0.000	0.000	0.000
969	A	1069	PRO	0	0.031	0.021	52.998	0.001	0.001	0.000	0.000	0.000	0.000
970	A	1070	ASN	0	-0.086	-0.032	55.916	0.001	0.001	0.000	0.000	0.000	0.000
971	A	1071	LEU	0	0.037	0.012	57.809	0.000	0.000	0.000	0.000	0.000	0.000
972	A	1072	GLU	-1	-0.819	-0.923	60.241	-0.005	-0.005	0.000	0.000	0.000	0.000
973	A	1073	LYS	1	0.941	0.973	59.565	0.006	0.006	0.000	0.000	0.000	0.000
974	A	1074	THR	0	-0.023	-0.025	55.525	-0.001	-0.001	0.000	0.000	0.000	0.000
975	A	1075	LEU	0	0.011	0.004	58.248	-0.001	-0.001	0.000	0.000	0.000	0.000
976	A	1076	ALA	0	-0.008	0.002	60.715	0.000	0.000	0.000	0.000	0.000	0.000
977	A	1077	THR	0	0.008	-0.001	56.010	-0.001	-0.001	0.000	0.000	0.000	0.000
978	A	1078	PHE	0	-0.011	-0.009	53.609	-0.001	-0.001	0.000	0.000	0.000	0.000
979	A	1079	ARG	1	0.874	0.927	58.219	0.007	0.007	0.000	0.000	0.000	0.000
980	A	1080	GLU	-1	-0.865	-0.902	61.021	-0.011	-0.011	0.000	0.000	0.000	0.000
981	A	1081	SER	0	-0.005	-0.037	56.831	-0.001	-0.001	0.000	0.000	0.000	0.000
982	A	1082	ALA	0	0.002	0.017	58.032	-0.001	-0.001	0.000	0.000	0.000	0.000
983	A	1083	LYS	1	0.874	0.921	59.998	0.011	0.011	0.000	0.000	0.000	0.000
984	A	1084	GLY	0	0.019	0.009	57.429	0.000	0.000	0.000	0.000	0.000	0.000
985	A	1085	LEU	0	-0.009	-0.014	53.420	-0.001	-0.001	0.000	0.000	0.000	0.000
986	A	1086	ARG	1	0.790	0.856	56.266	0.014	0.014	0.000	0.000	0.000	0.000
987	A	1087	LYS	1	0.854	0.937	56.854	0.017	0.017	0.000	0.000	0.000	0.000
988	A	1088	MET	0	-0.010	0.002	50.508	0.000	0.000	0.000	0.000	0.000	0.000
989	A	1089	ALA	0	-0.025	-0.014	53.831	-0.001	-0.001	0.000	0.000	0.000	0.000
990	A	1090	ASP	-1	-0.872	-0.913	55.271	-0.019	-0.019	0.000	0.000	0.000	0.000
991	A	1091	THR	0	-0.112	-0.050	54.020	0.000	0.000	0.000	0.000	0.000	0.000
992	A	1092	MET	0	-0.095	-0.011	50.235	-0.001	-0.001	0.000	0.000	0.000	0.000
993	A	1093	THR	0	-0.009	-0.026	48.804	-0.001	-0.001	0.000	0.000	0.000	0.000
994	A	1094	GLU	-1	-0.906	-0.982	48.390	-0.032	-0.032	0.000	0.000	0.000	0.000
995	A	1095	ASN	0	-0.019	-0.020	44.376	-0.003	-0.003	0.000	0.000	0.000	0.000
996	A	1096	ASP	-1	-0.799	-0.858	44.578	-0.031	-0.031	0.000	0.000	0.000	0.000
997	A	1097	LEU	0	0.027	0.018	45.981	0.000	0.000	0.000	0.000	0.000	0.000
998	A	1098	LEU	0	-0.051	-0.027	41.099	-0.001	-0.001	0.000	0.000	0.000	0.000
999	A	1099	ARG	1	0.891	0.928	40.932	0.033	0.033	0.000	0.000	0.000	0.000
1000	A	1100	TYR	0	0.035	-0.001	41.674	-0.001	-0.001	0.000	0.000	0.000	0.000
1001	A	1101	ILE	0	-0.023	-0.016	42.007	0.000	0.000	0.000	0.000	0.000	0.000
1002	A	1102	ILE	0	-0.022	-0.010	36.894	-0.002	-0.002	0.000	0.000	0.000	0.000
1003	A	1103	ASN	0	0.021	0.023	38.233	-0.002	-0.002	0.000	0.000	0.000	0.000
1004	A	1104	THR	0	0.008	0.003	38.879	0.000	0.000	0.000	0.000	0.000	0.000
1005	A	1105	ILE	0	-0.015	-0.002	36.373	0.000	0.000	0.000	0.000	0.000	0.000
1006	A	1106	GLY	0	0.056	0.024	34.865	-0.003	-0.003	0.000	0.000	0.000	0.000
1007	A	1107	THR	0	-0.069	-0.041	34.780	0.000	0.000	0.000	0.000	0.000	0.000
1008	A	1108	ILE	0	-0.039	-0.011	36.451	0.001	0.001	0.000	0.000	0.000	0.000
1009	A	1109	ASP	-1	-0.791	-0.861	32.716	-0.060	-0.060	0.000	0.000	0.000	0.000
1010	A	1110	LYS	1	0.903	0.963	29.711	0.038	0.038	0.000	0.000	0.000	0.000
1011	A	1111	PRO	0	0.034	0.019	26.197	0.000	0.000	0.000	0.000	0.000	0.000
1012	A	1112	ARG	1	0.819	0.903	27.648	0.053	0.053	0.000	0.000	0.000	0.000
1013	A	1113	ARG	1	0.890	0.933	18.153	0.082	0.082	0.000	0.000	0.000	0.000
1014	A	1114	GLY	0	0.022	0.004	25.277	0.008	0.008	0.000	0.000	0.000	0.000
1015	A	1115	ILE	0	0.024	0.009	25.976	0.000	0.000	0.000	0.000	0.000	0.000
1016	A	1116	GLU	-1	-0.777	-0.873	27.426	-0.041	-0.041	0.000	0.000	0.000	0.000
1017	A	1117	LEU	0	-0.009	-0.006	27.736	0.001	0.001	0.000	0.000	0.000	0.000
1018	A	1118	SER	0	0.021	-0.003	30.445	0.001	0.001	0.000	0.000	0.000	0.000
1019	A	1119	LYS	1	0.807	0.875	32.322	0.010	0.010	0.000	0.000	0.000	0.000
1020	A	1120	LEU	0	0.007	0.017	33.697	0.001	0.001	0.000	0.000	0.000	0.000
1021	A	1121	SER	0	-0.020	-0.003	34.705	0.002	0.002	0.000	0.000	0.000	0.000
1022	A	1122	PHE	0	0.040	0.010	36.442	0.001	0.001	0.000	0.000	0.000	0.000
1023	A	1123	LEU	0	0.023	0.014	38.361	0.001	0.001	0.000	0.000	0.000	0.000
1024	A	1124	ARG	1	0.882	0.947	36.282	0.040	0.040	0.000	0.000	0.000	0.000
1025	A	1125	LEU	0	-0.037	-0.020	39.268	0.001	0.001	0.000	0.000	0.000	0.000
1026	A	1126	ILE	0	-0.032	-0.013	42.536	0.001	0.001	0.000	0.000	0.000	0.000
1027	A	1127	SER	0	0.012	-0.009	43.686	0.002	0.002	0.000	0.000	0.000	0.000
1028	A	1128	ASN	0	-0.091	-0.041	45.850	0.000	0.000	0.000	0.000	0.000	0.000
1029	A	1129	GLU	-1	-0.750	-0.840	41.954	-0.031	-0.031	0.000	0.000	0.000	0.000
1030	A	1130	SER	0	-0.076	-0.071	43.708	-0.002	-0.002	0.000	0.000	0.000	0.000
1031	A	1131	GLU	-1	-0.821	-0.922	40.212	-0.046	-0.046	0.000	0.000	0.000	0.000
1032	A	1132	GLN	0	-0.022	-0.025	42.823	-0.003	-0.003	0.000	0.000	0.000	0.000
1033	A	1133	ASP	-1	-0.744	-0.812	45.951	-0.026	-0.026	0.000	0.000	0.000	0.000
1034	A	1134	ARG	1	0.752	0.817	39.569	0.034	0.034	0.000	0.000	0.000	0.000
1035	A	1135	VAL	0	-0.065	-0.026	41.975	-0.002	-0.002	0.000	0.000	0.000	0.000
1036	A	1136	GLU	-1	-0.811	-0.895	43.761	-0.033	-0.033	0.000	0.000	0.000	0.000
1037	A	1137	PHE	0	0.057	0.023	43.410	0.000	0.000	0.000	0.000	0.000	0.000
1038	A	1138	ARG	1	0.759	0.836	36.114	0.054	0.054	0.000	0.000	0.000	0.000
1039	A	1139	LYS	1	0.811	0.893	43.330	0.032	0.032	0.000	0.000	0.000	0.000
1040	A	1140	ARG	1	0.815	0.879	45.852	0.028	0.028	0.000	0.000	0.000	0.000
1041	A	1141	ILE	0	0.022	0.023	42.633	0.000	0.000	0.000	0.000	0.000	0.000
1042	A	1142	MET	0	-0.039	-0.023	38.985	0.000	0.000	0.000	0.000	0.000	0.000
1043	A	1143	ASN	0	-0.107	-0.053	44.689	0.001	0.001	0.000	0.000	0.000	0.000
1044	A	1144	THR	0	0.018	0.030	47.725	0.002	0.002	0.000	0.000	0.000	0.000
1045	A	1145	LYS	1	0.889	0.939	49.443	0.030	0.030	0.000	0.000	0.000	0.000
1046	A	1146	LYS	1	1.000	0.977	52.132	0.026	0.026	0.000	0.000	0.000	0.000
1047	A	1147	GLU	-1	-0.830	-0.913	54.027	-0.024	-0.024	0.000	0.000	0.000	0.000
1048	A	1148	ASP	-1	-0.808	-0.894	53.212	-0.024	-0.024	0.000	0.000	0.000	0.000
1049	A	1149	PHE	0	0.056	0.017	49.026	0.001	0.001	0.000	0.000	0.000	0.000
1050	A	1150	TYR	0	-0.042	-0.048	55.055	0.001	0.001	0.000	0.000	0.000	0.000
1051	A	1151	LYS	1	0.868	0.933	56.975	0.023	0.023	0.000	0.000	0.000	0.000
1052	A	1152	PHE	0	0.020	0.004	54.658	0.001	0.001	0.000	0.000	0.000	0.000
1053	A	1153	ALA	0	-0.006	0.002	57.458	0.001	0.001	0.000	0.000	0.000	0.000
1054	A	1154	ASP	-1	-0.829	-0.907	59.315	-0.015	-0.015	0.000	0.000	0.000	0.000
1055	A	1155	LEU	0	-0.056	-0.009	58.159	0.001	0.001	0.000	0.000	0.000	0.000
1056	A	1156	LEU	0	-0.001	-0.015	56.293	0.001	0.001	0.000	0.000	0.000	0.000
1057	A	1157	GLU	-1	-0.866	-0.916	60.664	-0.012	-0.012	0.000	0.000	0.000	0.000
1058	A	1158	SER	0	-0.086	-0.042	63.945	0.001	0.001	0.000	0.000	0.000	0.000
1059	A	1159	LYS	1	0.826	0.897	62.174	0.012	0.012	0.000	0.000	0.000	0.000
1060	A	1160	VAL	0	0.050	0.040	63.293	0.000	0.000	0.000	0.000	0.000	0.000
1061	A	1161	ASN	0	-0.021	-0.031	64.358	0.001	0.001	0.000	0.000	0.000	0.000
1062	A	1162	GLU	-1	-0.795	-0.884	62.468	-0.010	-0.010	0.000	0.000	0.000	0.000
1063	A	1163	PHE	0	-0.024	-0.016	57.028	0.000	0.000	0.000	0.000	0.000	0.000
1064	A	1164	GLU	-1	-0.815	-0.883	61.966	-0.007	-0.007	0.000	0.000	0.000	0.000
1065	A	1165	LYS	1	0.793	0.907	64.129	0.009	0.009	0.000	0.000	0.000	0.000
1066	A	1166	ASN	0	-0.034	-0.005	59.950	0.001	0.001	0.000	0.000	0.000	0.000
1067	A	1167	ILE	0	0.000	0.013	59.873	-0.001	-0.001	0.000	0.000	0.000	0.000
1068	A	1168	VAL	0	-0.022	-0.004	57.307	0.001	0.001	0.000	0.000	0.000	0.000
1069	A	1169	ILE	0	0.017	0.019	57.393	-0.001	-0.001	0.000	0.000	0.000	0.000
1070	A	1170	ILE	0	-0.017	0.008	53.171	0.001	0.001	0.000	0.000	0.000	0.000
1071	A	1171	THR	0	0.027	-0.012	57.011	0.000	0.000	0.000	0.000	0.000	0.000
1072	A	1172	THR	0	-0.012	-0.004	59.146	0.000	0.000	0.000	0.000	0.000	0.000
1073	A	1173	LYS	1	0.990	0.992	61.462	-0.002	-0.002	0.000	0.000	0.000	0.000
1074	A	1174	GLU	-1	-0.864	-0.933	64.364	0.000	0.000	0.000	0.000	0.000	0.000
1075	A	1175	LYS	1	0.941	0.975	58.928	0.002	0.002	0.000	0.000	0.000	0.000
1076	A	1176	ALA	0	0.036	0.026	63.892	0.000	0.000	0.000	0.000	0.000	0.000
1077	A	1177	ASN	0	-0.034	-0.024	65.527	0.000	0.000	0.000	0.000	0.000	0.000
1078	A	1178	GLU	-1	-0.862	-0.930	68.051	-0.002	-0.002	0.000	0.000	0.000	0.000
1079	A	1179	TYR	0	0.006	0.008	65.688	0.000	0.000	0.000	0.000	0.000	0.000
1080	A	1180	ILE	0	-0.054	-0.031	67.672	0.000	0.000	0.000	0.000	0.000	0.000
1081	A	1181	ALA	0	-0.048	-0.014	70.415	0.000	0.000	0.000	0.000	0.000	0.000
1082	A	1182	ASN	0	-0.068	-0.041	71.299	0.000	0.000	0.000	0.000	0.000	0.000
1083	A	1183	VAL	0	-0.070	-0.021	68.220	0.000	0.000	0.000	0.000	0.000	0.000
1084	A	1184	ASP	-1	-0.831	-0.929	68.460	-0.006	-0.006	0.000	0.000	0.000	0.000
1085	A	1185	GLY	0	0.038	0.019	70.127	0.000	0.000	0.000	0.000	0.000	0.000
1086	A	1186	GLU	-1	-0.892	-0.945	70.319	-0.004	-0.004	0.000	0.000	0.000	0.000
1087	A	1187	PHE	0	-0.042	0.002	62.751	0.000	0.000	0.000	0.000	0.000	0.000
1088	A	1188	LYS	1	0.806	0.892	66.640	0.004	0.004	0.000	0.000	0.000	0.000
1089	A	1189	LYS	1	0.883	0.942	64.890	0.001	0.001	0.000	0.000	0.000	0.000
1090	A	1190	VAL	0	0.000	0.005	61.037	0.000	0.000	0.000	0.000	0.000	0.000
1091	A	1191	LEU	0	-0.001	-0.006	61.725	0.000	0.000	0.000	0.000	0.000	0.000
1092	A	1192	ILE	0	-0.024	0.002	55.701	0.000	0.000	0.000	0.000	0.000	0.000
1093	A	1193	GLU	-1	-0.926	-0.951	57.726	0.003	0.003	0.000	0.000	0.000	0.000

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