FMO DATABASE

FMODB ID: 4L34N

Calculation Name: 4AEE-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4AEE

Chain ID: A

ChEMBL ID:

UniProt ID: A3DM60

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	OptH
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	685
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-18998230.204193
FMO2-HF: Nuclear repulsion	18714253.869033
FMO2-HF: Total energy	-283976.33516
FMO2-MP2: Total energy	-284812.157558

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:1:MET)

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

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.
-9.556	-25.515	58.213	-22.854	-19.396	-0.096

Interaction energy analysis for fragmet #1(A:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.058 / q_NPA : 0.046

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	3	LYS	1	0.954	0.984	3.069	-4.815	-0.116	0.069	-2.019	-2.748	0.013
4	A	4	ILE	0	0.007	-0.006	4.872	-0.542	-0.496	-0.001	-0.006	-0.039	0.000
5	A	5	ILE	0	-0.062	-0.040	7.764	0.242	0.242	0.000	0.000	0.000	0.000
6	A	6	GLY	0	0.033	0.021	10.366	0.040	0.040	0.000	0.000	0.000	0.000
7	A	7	ARG	1	0.805	0.910	13.847	-0.083	-0.083	0.000	0.000	0.000	0.000
8	A	8	GLU	-1	-0.754	-0.852	16.706	-0.078	-0.078	0.000	0.000	0.000	0.000
9	A	9	ILE	0	-0.010	-0.007	18.872	0.004	0.004	0.000	0.000	0.000	0.000
10	A	10	TYR	0	-0.038	-0.021	21.859	-0.008	-0.008	0.000	0.000	0.000	0.000
11	A	11	GLY	0	0.054	0.022	25.558	0.008	0.008	0.000	0.000	0.000	0.000
12	A	12	LYS	1	0.884	0.929	28.196	-0.022	-0.022	0.000	0.000	0.000	0.000
13	A	13	GLY	0	0.008	0.012	25.741	0.009	0.009	0.000	0.000	0.000	0.000
14	A	14	ARG	1	0.698	0.845	25.762	0.014	0.014	0.000	0.000	0.000	0.000
15	A	15	LYS	1	0.926	0.974	20.555	-0.086	-0.086	0.000	0.000	0.000	0.000
16	A	16	GLY	0	0.022	0.016	20.733	-0.012	-0.012	0.000	0.000	0.000	0.000
17	A	17	ARG	1	0.795	0.877	16.925	0.162	0.162	0.000	0.000	0.000	0.000
18	A	18	TYR	0	0.042	0.004	12.928	0.039	0.039	0.000	0.000	0.000	0.000
19	A	19	ILE	0	-0.004	-0.001	11.205	-0.096	-0.096	0.000	0.000	0.000	0.000
20	A	20	VAL	0	-0.006	0.002	7.038	0.183	0.183	0.000	0.000	0.000	0.000
21	A	21	LYS	1	0.936	0.982	5.585	-0.835	-0.835	0.000	0.000	0.000	0.000
22	A	22	PHE	0	0.035	0.003	4.713	-0.039	0.147	-0.001	-0.063	-0.122	0.000
23	A	23	THR	0	-0.055	-0.042	2.387	0.384	1.976	0.925	-0.736	-1.782	0.002
24	A	24	ARG	1	0.980	1.009	2.065	-5.840	-6.251	5.155	-2.355	-2.389	-0.023
25	A	25	HIS	0	0.047	0.022	4.138	0.847	0.999	0.000	-0.037	-0.114	0.000
26	A	26	TRP	0	-0.036	-0.031	7.311	-0.265	-0.265	0.000	0.000	0.000	0.000
27	A	27	PRO	0	0.004	0.010	9.812	0.144	0.144	0.000	0.000	0.000	0.000
28	A	28	GLN	0	0.046	0.015	12.839	-0.013	-0.013	0.000	0.000	0.000	0.000
29	A	29	TYR	0	-0.023	-0.013	14.258	0.009	0.009	0.000	0.000	0.000	0.000
30	A	30	ALA	0	-0.039	-0.007	13.442	0.001	0.001	0.000	0.000	0.000	0.000
31	A	31	LYS	1	0.880	0.941	15.310	0.252	0.252	0.000	0.000	0.000	0.000
32	A	32	ASN	0	-0.013	-0.015	14.758	-0.019	-0.019	0.000	0.000	0.000	0.000
33	A	33	ILE	0	0.029	0.021	8.137	-0.045	-0.045	0.000	0.000	0.000	0.000
34	A	34	TYR	0	-0.084	-0.075	11.314	-0.036	-0.036	0.000	0.000	0.000	0.000
35	A	35	LEU	0	-0.015	0.004	6.821	-0.188	-0.188	0.000	0.000	0.000	0.000
36	A	36	ILE	0	0.006	0.044	9.596	0.204	0.204	0.000	0.000	0.000	0.000
37	A	37	GLY	0	0.041	-0.009	9.913	-0.183	-0.183	0.000	0.000	0.000	0.000
38	A	38	GLU	-1	-0.888	-0.951	12.177	-0.370	-0.370	0.000	0.000	0.000	0.000
39	A	39	PHE	0	-0.016	-0.010	8.431	0.095	0.095	0.000	0.000	0.000	0.000
40	A	40	THR	0	-0.050	-0.050	11.763	0.025	0.025	0.000	0.000	0.000	0.000
41	A	41	SER	0	-0.012	-0.022	14.098	0.077	0.077	0.000	0.000	0.000	0.000
42	A	42	LEU	0	-0.028	0.006	14.209	-0.079	-0.079	0.000	0.000	0.000	0.000
43	A	43	TYR	0	0.041	0.036	15.780	-0.012	-0.012	0.000	0.000	0.000	0.000
44	A	44	PRO	0	0.013	0.029	14.810	-0.023	-0.023	0.000	0.000	0.000	0.000
45	A	45	GLY	0	0.026	-0.001	15.502	0.058	0.058	0.000	0.000	0.000	0.000
46	A	46	PHE	0	-0.012	0.026	16.421	0.005	0.005	0.000	0.000	0.000	0.000
47	A	47	VAL	0	0.026	-0.009	12.023	0.034	0.034	0.000	0.000	0.000	0.000
48	A	48	LYS	1	0.833	0.925	12.707	0.367	0.367	0.000	0.000	0.000	0.000
49	A	49	LEU	0	-0.037	-0.003	5.924	0.053	0.053	0.000	0.000	0.000	0.000
50	A	50	ARG	1	0.855	0.905	10.427	0.597	0.597	0.000	0.000	0.000	0.000
51	A	51	LYS	1	0.955	0.991	11.427	0.199	0.199	0.000	0.000	0.000	0.000
52	A	52	ILE	0	-0.026	-0.010	11.074	0.088	0.088	0.000	0.000	0.000	0.000
53	A	53	GLU	-1	-0.890	-0.946	11.656	0.023	0.023	0.000	0.000	0.000	0.000
54	A	54	GLU	-1	-0.898	-0.950	11.550	-0.207	-0.207	0.000	0.000	0.000	0.000
55	A	55	GLN	0	-0.042	-0.024	6.025	-0.012	-0.012	0.000	0.000	0.000	0.000
56	A	56	GLY	0	-0.025	0.003	7.577	0.213	0.213	0.000	0.000	0.000	0.000
57	A	57	ILE	0	-0.024	-0.026	6.663	-0.586	-0.586	0.000	0.000	0.000	0.000
58	A	58	VAL	0	0.028	0.008	8.347	0.191	0.191	0.000	0.000	0.000	0.000
59	A	59	TYR	0	0.007	0.000	9.025	-0.126	-0.126	0.000	0.000	0.000	0.000
60	A	60	LEU	0	0.001	0.010	10.521	0.038	0.038	0.000	0.000	0.000	0.000
61	A	61	LYS	1	0.930	0.966	12.410	0.221	0.221	0.000	0.000	0.000	0.000
62	A	62	LEU	0	0.001	0.003	11.308	-0.020	-0.020	0.000	0.000	0.000	0.000
63	A	63	TRP	0	0.054	0.014	15.235	0.064	0.064	0.000	0.000	0.000	0.000
64	A	64	PRO	0	0.057	0.025	15.973	-0.051	-0.051	0.000	0.000	0.000	0.000
65	A	65	GLY	0	0.003	0.014	15.642	-0.005	-0.005	0.000	0.000	0.000	0.000
66	A	66	GLU	-1	-0.940	-0.971	13.708	-0.254	-0.254	0.000	0.000	0.000	0.000
67	A	67	TYR	0	-0.081	-0.055	11.424	0.028	0.028	0.000	0.000	0.000	0.000
68	A	68	GLY	0	-0.046	-0.030	10.846	-0.064	-0.064	0.000	0.000	0.000	0.000
69	A	69	TYR	0	-0.078	-0.077	2.712	-0.134	1.176	0.045	-0.757	-0.597	0.003
70	A	70	GLY	0	0.047	0.017	6.697	0.083	0.083	0.000	0.000	0.000	0.000
71	A	71	PHE	0	-0.010	-0.019	2.479	-0.641	0.288	0.460	-0.516	-0.873	0.001
72	A	72	GLN	0	0.010	0.011	8.031	0.166	0.166	0.000	0.000	0.000	0.000
73	A	73	ILE	0	0.004	-0.003	10.142	-0.041	-0.041	0.000	0.000	0.000	0.000
74	A	74	ASP	-1	-0.776	-0.888	12.876	-0.358	-0.358	0.000	0.000	0.000	0.000
75	A	75	ASN	0	0.017	0.003	16.424	-0.032	-0.032	0.000	0.000	0.000	0.000
76	A	76	ASP	-1	-0.847	-0.914	15.254	-0.342	-0.342	0.000	0.000	0.000	0.000
77	A	77	PHE	0	-0.031	-0.031	15.262	-0.056	-0.056	0.000	0.000	0.000	0.000
78	A	78	GLU	-1	-0.957	-0.958	16.238	-0.316	-0.316	0.000	0.000	0.000	0.000
79	A	79	ASN	0	-0.119	-0.064	13.264	0.007	0.007	0.000	0.000	0.000	0.000
80	A	80	VAL	0	0.019	-0.002	10.317	-0.042	-0.042	0.000	0.000	0.000	0.000
81	A	81	LEU	0	-0.054	-0.016	8.285	-0.225	-0.225	0.000	0.000	0.000	0.000
82	A	82	ASP	-1	-0.747	-0.867	1.598	5.420	-22.694	45.740	-12.407	-5.218	-0.063
83	A	83	PRO	0	-0.050	-0.022	4.814	0.275	0.407	-0.001	-0.013	-0.117	0.000
84	A	84	ASP	-1	-0.859	-0.937	2.369	-2.933	0.120	5.821	-3.844	-5.030	-0.029
85	A	85	ASN	0	-0.110	-0.052	4.013	-1.394	-0.953	0.002	-0.100	-0.343	0.000
86	A	86	GLU	-1	-0.874	-0.936	5.393	-0.129	-0.103	-0.001	-0.001	-0.024	0.000
87	A	87	GLU	-1	-1.008	-0.991	8.378	-0.236	-0.236	0.000	0.000	0.000	0.000
88	A	88	LYS	1	0.919	0.940	9.391	0.155	0.155	0.000	0.000	0.000	0.000
89	A	89	LYS	1	0.888	0.948	11.899	0.418	0.418	0.000	0.000	0.000	0.000
90	A	90	CYS	0	-0.160	-0.077	13.798	-0.027	-0.027	0.000	0.000	0.000	0.000
91	A	91	VAL	0	0.026	0.017	14.894	0.036	0.036	0.000	0.000	0.000	0.000
92	A	92	HIS	0	-0.024	-0.011	17.616	0.006	0.006	0.000	0.000	0.000	0.000
93	A	93	THR	0	0.056	0.022	19.315	-0.020	-0.020	0.000	0.000	0.000	0.000
94	A	94	SER	0	-0.041	-0.026	21.189	0.031	0.031	0.000	0.000	0.000	0.000
95	A	95	PHE	0	0.025	0.012	23.339	0.015	0.015	0.000	0.000	0.000	0.000
96	A	96	PHE	0	0.022	-0.002	25.076	0.020	0.020	0.000	0.000	0.000	0.000
97	A	97	PRO	0	0.005	0.009	24.570	-0.010	-0.010	0.000	0.000	0.000	0.000
98	A	98	GLU	-1	-0.908	-0.953	25.422	-0.142	-0.142	0.000	0.000	0.000	0.000
99	A	99	TYR	0	-0.004	0.007	23.362	0.003	0.003	0.000	0.000	0.000	0.000
100	A	100	LYS	1	0.959	0.972	19.780	0.188	0.188	0.000	0.000	0.000	0.000
101	A	101	LYS	1	1.004	1.020	13.866	0.453	0.453	0.000	0.000	0.000	0.000
102	A	103	LEU	0	0.015	0.012	10.363	0.002	0.002	0.000	0.000	0.000	0.000
103	A	104	SER	0	0.096	0.055	6.456	0.083	0.083	0.000	0.000	0.000	0.000
104	A	105	LYS	1	0.928	0.975	8.369	0.240	0.240	0.000	0.000	0.000	0.000
105	A	106	LEU	0	0.016	0.018	7.407	-0.072	-0.072	0.000	0.000	0.000	0.000
106	A	107	VAL	0	0.016	0.003	8.954	0.098	0.098	0.000	0.000	0.000	0.000
107	A	108	ILE	0	-0.057	-0.014	10.374	0.056	0.056	0.000	0.000	0.000	0.000
108	A	109	LYS	1	0.970	0.974	12.506	-0.092	-0.092	0.000	0.000	0.000	0.000
109	A	110	GLU	-1	-0.835	-0.935	15.157	-0.050	-0.050	0.000	0.000	0.000	0.000
110	A	111	PRO	0	-0.077	-0.028	18.195	0.024	0.024	0.000	0.000	0.000	0.000
111	A	112	ASP	-1	-0.886	-0.942	19.802	0.094	0.094	0.000	0.000	0.000	0.000
112	A	113	ASN	0	0.017	0.008	22.088	-0.023	-0.023	0.000	0.000	0.000	0.000
113	A	114	PRO	0	0.076	0.030	24.568	-0.005	-0.005	0.000	0.000	0.000	0.000
114	A	115	LEU	0	0.015	0.009	26.638	-0.010	-0.010	0.000	0.000	0.000	0.000
115	A	116	ASP	-1	-0.940	-0.972	22.364	0.078	0.078	0.000	0.000	0.000	0.000
116	A	117	LYS	1	0.877	0.942	22.764	0.006	0.006	0.000	0.000	0.000	0.000
117	A	118	ILE	0	-0.024	0.001	24.770	-0.013	-0.013	0.000	0.000	0.000	0.000
118	A	119	ILE	0	-0.073	-0.041	22.353	0.003	0.003	0.000	0.000	0.000	0.000
119	A	120	HIS	0	0.007	0.033	26.463	-0.004	-0.004	0.000	0.000	0.000	0.000
120	A	121	ILE	0	-0.015	0.019	22.949	0.010	0.010	0.000	0.000	0.000	0.000
121	A	122	GLU	-1	-0.799	-0.881	26.969	-0.034	-0.034	0.000	0.000	0.000	0.000
122	A	123	GLU	-1	-0.835	-0.914	24.104	-0.109	-0.109	0.000	0.000	0.000	0.000
123	A	124	SER	0	0.026	0.013	27.555	0.004	0.004	0.000	0.000	0.000	0.000
124	A	125	GLY	0	0.001	-0.001	27.823	0.004	0.004	0.000	0.000	0.000	0.000
125	A	126	PHE	0	-0.023	-0.022	24.566	0.004	0.004	0.000	0.000	0.000	0.000
126	A	127	ILE	0	0.010	0.002	29.896	0.010	0.010	0.000	0.000	0.000	0.000
127	A	128	HIS	0	-0.037	0.003	32.779	-0.005	-0.005	0.000	0.000	0.000	0.000
128	A	129	LYS	1	0.875	0.956	34.982	0.064	0.064	0.000	0.000	0.000	0.000
129	A	130	PHE	0	0.018	-0.023	38.126	-0.007	-0.007	0.000	0.000	0.000	0.000
130	A	131	ASN	0	-0.044	0.004	40.330	0.002	0.002	0.000	0.000	0.000	0.000
131	A	132	GLY	0	0.048	0.027	43.979	0.003	0.003	0.000	0.000	0.000	0.000
132	A	133	GLU	-1	-0.916	-0.964	42.565	-0.044	-0.044	0.000	0.000	0.000	0.000
133	A	134	ILE	0	-0.044	-0.022	37.660	-0.004	-0.004	0.000	0.000	0.000	0.000
134	A	135	ILE	0	-0.030	-0.008	35.121	0.003	0.003	0.000	0.000	0.000	0.000
135	A	136	ILE	0	0.027	0.009	34.170	-0.003	-0.003	0.000	0.000	0.000	0.000
136	A	137	ARG	1	0.803	0.883	30.821	0.093	0.093	0.000	0.000	0.000	0.000
137	A	138	LEU	0	0.021	0.014	30.459	0.000	0.000	0.000	0.000	0.000	0.000
138	A	139	ILE	0	-0.037	-0.011	25.111	-0.003	-0.003	0.000	0.000	0.000	0.000
139	A	140	ALA	0	0.041	0.019	28.518	0.009	0.009	0.000	0.000	0.000	0.000
140	A	141	PRO	0	0.006	0.023	27.095	-0.008	-0.008	0.000	0.000	0.000	0.000
141	A	142	THR	0	0.040	-0.002	28.962	0.004	0.004	0.000	0.000	0.000	0.000
142	A	143	GLU	-1	-0.903	-0.946	28.319	-0.002	-0.002	0.000	0.000	0.000	0.000
143	A	144	ILE	0	-0.074	-0.027	31.163	0.007	0.007	0.000	0.000	0.000	0.000
144	A	145	ASN	0	0.015	0.001	33.770	-0.005	-0.005	0.000	0.000	0.000	0.000
145	A	146	GLU	-1	-0.894	-0.973	36.541	-0.029	-0.029	0.000	0.000	0.000	0.000
146	A	147	PRO	0	0.001	0.014	34.452	0.003	0.003	0.000	0.000	0.000	0.000
147	A	148	LEU	0	0.020	0.035	37.640	-0.004	-0.004	0.000	0.000	0.000	0.000
148	A	149	ILE	0	-0.034	-0.016	37.605	0.001	0.001	0.000	0.000	0.000	0.000
149	A	150	ASP	-1	-0.787	-0.880	39.677	-0.003	-0.003	0.000	0.000	0.000	0.000
150	A	151	LEU	0	-0.010	-0.023	40.798	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	152	GLY	0	-0.034	-0.032	42.832	0.002	0.002	0.000	0.000	0.000	0.000
152	A	153	ASN	0	-0.016	-0.008	44.998	0.001	0.001	0.000	0.000	0.000	0.000
153	A	154	GLU	-1	-0.854	-0.916	46.166	-0.020	-0.020	0.000	0.000	0.000	0.000
154	A	155	ILE	0	0.019	0.005	43.381	0.000	0.000	0.000	0.000	0.000	0.000
155	A	156	ARG	1	0.856	0.933	43.131	0.025	0.025	0.000	0.000	0.000	0.000
156	A	157	GLU	-1	-0.863	-0.935	42.189	-0.020	-0.020	0.000	0.000	0.000	0.000
157	A	158	PRO	0	-0.074	-0.022	38.046	-0.003	-0.003	0.000	0.000	0.000	0.000
158	A	159	LEU	0	0.012	0.005	39.989	0.000	0.000	0.000	0.000	0.000	0.000
159	A	160	THR	0	-0.059	-0.028	37.642	-0.004	-0.004	0.000	0.000	0.000	0.000
160	A	161	LYS	1	0.978	0.982	35.736	0.035	0.035	0.000	0.000	0.000	0.000
161	A	162	HIS	1	0.805	0.921	31.839	0.074	0.074	0.000	0.000	0.000	0.000
162	A	163	VAL	0	0.060	0.036	30.260	0.000	0.000	0.000	0.000	0.000	0.000
163	A	164	VAL	0	-0.014	-0.021	24.953	-0.010	-0.010	0.000	0.000	0.000	0.000
164	A	165	GLY	0	0.027	0.020	25.209	0.001	0.001	0.000	0.000	0.000	0.000
165	A	166	ASP	-1	-0.893	-0.950	25.454	-0.057	-0.057	0.000	0.000	0.000	0.000
166	A	167	ASN	0	-0.083	-0.026	23.356	0.023	0.023	0.000	0.000	0.000	0.000
167	A	168	ILE	0	-0.017	-0.007	27.658	-0.006	-0.006	0.000	0.000	0.000	0.000
168	A	169	VAL	0	-0.006	-0.004	28.589	0.003	0.003	0.000	0.000	0.000	0.000
169	A	170	TYR	0	0.034	0.004	31.218	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	171	GLN	0	0.019	0.012	33.952	-0.008	-0.008	0.000	0.000	0.000	0.000
171	A	172	TYR	0	-0.008	-0.029	35.323	0.002	0.002	0.000	0.000	0.000	0.000
172	A	173	ILE	0	-0.020	-0.006	38.243	-0.004	-0.004	0.000	0.000	0.000	0.000
173	A	174	ILE	0	-0.028	-0.008	40.161	0.004	0.004	0.000	0.000	0.000	0.000
174	A	175	PRO	0	0.072	0.037	43.157	-0.003	-0.003	0.000	0.000	0.000	0.000
175	A	176	SER	0	0.054	0.023	43.726	0.001	0.001	0.000	0.000	0.000	0.000
176	A	177	ARG	1	0.865	0.926	43.262	0.029	0.029	0.000	0.000	0.000	0.000
177	A	178	SER	0	0.000	0.013	43.843	-0.002	-0.002	0.000	0.000	0.000	0.000
178	A	179	ILE	0	0.039	0.029	41.177	-0.002	-0.002	0.000	0.000	0.000	0.000
179	A	180	LEU	0	0.001	-0.001	37.883	0.001	0.001	0.000	0.000	0.000	0.000
180	A	181	ARG	1	0.944	0.974	39.170	0.009	0.009	0.000	0.000	0.000	0.000
181	A	182	TYR	0	-0.029	-0.059	32.801	0.000	0.000	0.000	0.000	0.000	0.000
182	A	183	ARG	1	0.890	0.963	35.986	-0.005	-0.005	0.000	0.000	0.000	0.000
183	A	184	PHE	0	0.013	0.004	33.235	-0.003	-0.003	0.000	0.000	0.000	0.000
184	A	185	ILE	0	-0.016	0.006	36.718	0.005	0.005	0.000	0.000	0.000	0.000
185	A	186	PHE	0	0.016	0.001	32.713	-0.004	-0.004	0.000	0.000	0.000	0.000
186	A	187	ASN	0	-0.002	-0.013	37.806	0.006	0.006	0.000	0.000	0.000	0.000
187	A	188	TYR	0	0.020	-0.007	30.311	0.000	0.000	0.000	0.000	0.000	0.000
188	A	189	ASN	0	0.008	0.003	33.453	-0.001	-0.001	0.000	0.000	0.000	0.000
189	A	190	ASP	-1	-0.899	-0.946	37.183	0.015	0.015	0.000	0.000	0.000	0.000
190	A	191	LYS	1	0.938	0.984	38.146	-0.027	-0.027	0.000	0.000	0.000	0.000
191	A	192	LYS	1	0.924	0.982	38.919	-0.011	-0.011	0.000	0.000	0.000	0.000
192	A	193	LEU	0	-0.005	0.002	33.816	0.003	0.003	0.000	0.000	0.000	0.000
193	A	194	PHE	0	0.017	-0.003	36.119	-0.006	-0.006	0.000	0.000	0.000	0.000
194	A	195	TYR	0	-0.010	-0.008	26.626	0.003	0.003	0.000	0.000	0.000	0.000
195	A	196	GLY	0	0.056	-0.015	32.702	-0.006	-0.006	0.000	0.000	0.000	0.000
196	A	197	ASP	-1	-0.854	-0.942	31.512	0.007	0.007	0.000	0.000	0.000	0.000
197	A	198	GLU	-1	-0.784	-0.868	29.865	0.027	0.027	0.000	0.000	0.000	0.000
198	A	199	GLY	0	-0.010	0.009	28.762	0.008	0.008	0.000	0.000	0.000	0.000
199	A	200	VAL	0	0.007	0.014	29.210	-0.006	-0.006	0.000	0.000	0.000	0.000
200	A	201	SER	0	-0.014	-0.008	31.223	0.009	0.009	0.000	0.000	0.000	0.000
201	A	202	GLU	-1	-0.885	-0.964	34.203	0.033	0.033	0.000	0.000	0.000	0.000
202	A	203	ASN	0	-0.070	-0.039	37.225	-0.006	-0.006	0.000	0.000	0.000	0.000
203	A	204	SER	0	-0.069	-0.003	33.384	0.001	0.001	0.000	0.000	0.000	0.000
204	A	205	SER	0	0.010	-0.029	35.696	-0.004	-0.004	0.000	0.000	0.000	0.000
205	A	206	TYR	0	-0.113	-0.074	36.048	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	207	ILE	0	0.010	0.027	31.723	0.003	0.003	0.000	0.000	0.000	0.000
207	A	208	VAL	0	-0.023	-0.023	35.334	-0.003	-0.003	0.000	0.000	0.000	0.000
208	A	209	VAL	0	0.031	0.016	34.134	-0.001	-0.001	0.000	0.000	0.000	0.000
209	A	210	ASN	0	0.015	0.001	36.796	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	211	SER	0	0.019	-0.011	38.172	-0.005	-0.005	0.000	0.000	0.000	0.000
211	A	212	LYS	1	0.920	0.949	39.633	0.027	0.027	0.000	0.000	0.000	0.000
212	A	213	TYR	0	-0.019	-0.025	34.615	-0.001	-0.001	0.000	0.000	0.000	0.000
213	A	214	ILE	0	-0.016	0.035	34.471	-0.005	-0.005	0.000	0.000	0.000	0.000
214	A	215	PRO	0	0.062	0.041	31.739	0.001	0.001	0.000	0.000	0.000	0.000
215	A	216	GLY	0	0.048	-0.021	34.948	0.001	0.001	0.000	0.000	0.000	0.000
216	A	217	VAL	0	-0.058	-0.020	36.937	0.001	0.001	0.000	0.000	0.000	0.000
217	A	218	ASP	-1	-0.906	-0.946	40.257	-0.049	-0.049	0.000	0.000	0.000	0.000
218	A	219	LYS	1	1.002	0.985	43.596	0.055	0.055	0.000	0.000	0.000	0.000
219	A	220	PRO	0	-0.022	-0.012	41.163	-0.002	-0.002	0.000	0.000	0.000	0.000
220	A	221	ARG	1	0.919	0.941	39.104	0.080	0.080	0.000	0.000	0.000	0.000
221	A	222	TRP	0	-0.004	-0.024	39.920	0.000	0.000	0.000	0.000	0.000	0.000
222	A	223	TYR	0	0.047	0.018	35.803	0.002	0.002	0.000	0.000	0.000	0.000
223	A	224	MET	0	-0.078	0.009	36.432	-0.003	-0.003	0.000	0.000	0.000	0.000
224	A	225	GLY	0	0.030	0.018	38.405	0.005	0.005	0.000	0.000	0.000	0.000
225	A	226	THR	0	-0.024	-0.006	39.099	0.006	0.006	0.000	0.000	0.000	0.000
226	A	227	VAL	0	0.032	0.015	40.084	-0.004	-0.004	0.000	0.000	0.000	0.000
227	A	228	TYR	0	0.022	-0.002	36.546	0.000	0.000	0.000	0.000	0.000	0.000
228	A	229	TYR	0	-0.019	-0.032	40.459	0.001	0.001	0.000	0.000	0.000	0.000
229	A	230	GLN	0	0.023	0.045	35.299	-0.005	-0.005	0.000	0.000	0.000	0.000
230	A	231	ILE	0	0.017	0.006	39.759	0.003	0.003	0.000	0.000	0.000	0.000
231	A	232	PHE	0	0.040	0.013	37.087	-0.004	-0.004	0.000	0.000	0.000	0.000
232	A	233	ILE	0	0.027	-0.001	40.856	0.004	0.004	0.000	0.000	0.000	0.000
233	A	234	ASP	-1	-0.717	-0.851	42.819	-0.082	-0.082	0.000	0.000	0.000	0.000
234	A	235	SER	0	-0.044	-0.034	43.234	0.003	0.003	0.000	0.000	0.000	0.000
235	A	236	PHE	0	-0.018	-0.004	45.351	0.003	0.003	0.000	0.000	0.000	0.000
236	A	237	ASP	-1	-0.811	-0.917	47.195	-0.059	-0.059	0.000	0.000	0.000	0.000
237	A	238	ASN	0	0.035	0.054	50.509	-0.004	-0.004	0.000	0.000	0.000	0.000
238	A	239	GLY	0	-0.057	-0.049	52.773	0.002	0.002	0.000	0.000	0.000	0.000
239	A	240	ASP	-1	-0.907	-0.948	54.443	-0.052	-0.052	0.000	0.000	0.000	0.000
240	A	241	PRO	0	-0.043	-0.035	55.442	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	242	ASN	0	-0.059	-0.014	57.466	0.001	0.001	0.000	0.000	0.000	0.000
242	A	243	ASN	0	0.025	0.015	52.178	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	244	ASP	-1	-0.972	-0.975	51.821	-0.061	-0.061	0.000	0.000	0.000	0.000
244	A	245	PRO	0	-0.058	-0.039	48.472	0.000	0.000	0.000	0.000	0.000	0.000
245	A	246	PRO	0	-0.017	0.007	49.669	0.002	0.002	0.000	0.000	0.000	0.000
246	A	247	ASN	0	-0.072	-0.044	49.974	-0.004	-0.004	0.000	0.000	0.000	0.000
247	A	248	ARG	1	0.935	0.971	49.497	0.061	0.061	0.000	0.000	0.000	0.000
248	A	249	ILE	0	-0.019	-0.001	45.214	0.002	0.002	0.000	0.000	0.000	0.000
249	A	250	LYS	1	0.973	1.003	48.644	0.062	0.062	0.000	0.000	0.000	0.000
250	A	251	LYS	1	0.938	0.997	48.942	0.055	0.055	0.000	0.000	0.000	0.000
251	A	252	THR	0	-0.124	-0.124	48.633	0.001	0.001	0.000	0.000	0.000	0.000
252	A	253	VAL	0	0.043	0.004	45.923	-0.002	-0.002	0.000	0.000	0.000	0.000
253	A	254	PRO	0	-0.029	-0.004	43.616	-0.002	-0.002	0.000	0.000	0.000	0.000
254	A	255	ARG	1	0.785	0.884	41.660	0.092	0.092	0.000	0.000	0.000	0.000
255	A	256	GLU	-1	-0.781	-0.880	42.158	-0.077	-0.077	0.000	0.000	0.000	0.000
256	A	257	TYR	0	-0.004	-0.016	37.507	-0.005	-0.005	0.000	0.000	0.000	0.000
257	A	258	GLY	0	0.029	0.012	41.422	0.003	0.003	0.000	0.000	0.000	0.000
258	A	259	TYR	0	0.040	0.010	43.228	-0.002	-0.002	0.000	0.000	0.000	0.000
259	A	260	TYR	0	-0.036	-0.025	45.655	0.004	0.004	0.000	0.000	0.000	0.000
260	A	261	GLY	0	-0.017	-0.021	47.248	0.004	0.004	0.000	0.000	0.000	0.000
261	A	262	GLY	0	-0.011	0.024	47.706	0.002	0.002	0.000	0.000	0.000	0.000
262	A	263	ASP	-1	-0.704	-0.870	47.494	-0.068	-0.068	0.000	0.000	0.000	0.000
263	A	264	LEU	0	-0.023	-0.025	46.125	0.000	0.000	0.000	0.000	0.000	0.000
264	A	265	ALA	0	0.044	0.029	49.547	0.001	0.001	0.000	0.000	0.000	0.000
265	A	266	GLY	0	0.039	0.014	51.282	0.002	0.002	0.000	0.000	0.000	0.000
266	A	267	ILE	0	-0.050	-0.036	45.773	0.001	0.001	0.000	0.000	0.000	0.000
267	A	268	MET	0	-0.005	0.015	50.057	0.002	0.002	0.000	0.000	0.000	0.000
268	A	269	LYS	1	0.882	0.955	52.874	0.058	0.058	0.000	0.000	0.000	0.000
269	A	270	HIS	1	0.767	0.869	51.663	0.062	0.062	0.000	0.000	0.000	0.000
270	A	271	ILE	0	0.014	0.012	52.016	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	272	ASP	-1	-0.849	-0.930	53.094	-0.055	-0.055	0.000	0.000	0.000	0.000
272	A	273	HIS	1	0.852	0.932	48.776	0.066	0.066	0.000	0.000	0.000	0.000
273	A	274	LEU	0	-0.021	-0.007	47.354	-0.001	-0.001	0.000	0.000	0.000	0.000
274	A	275	GLU	-1	-0.873	-0.944	50.289	-0.054	-0.054	0.000	0.000	0.000	0.000
275	A	276	ASP	-1	-0.868	-0.916	52.788	-0.054	-0.054	0.000	0.000	0.000	0.000
276	A	277	LEU	0	-0.048	-0.017	46.190	0.000	0.000	0.000	0.000	0.000	0.000
277	A	278	GLY	0	-0.019	-0.017	49.615	0.000	0.000	0.000	0.000	0.000	0.000
278	A	279	VAL	0	-0.034	-0.024	44.561	-0.001	-0.001	0.000	0.000	0.000	0.000
279	A	280	GLU	-1	-0.771	-0.859	44.531	-0.069	-0.069	0.000	0.000	0.000	0.000
280	A	281	THR	0	-0.012	-0.003	40.282	0.002	0.002	0.000	0.000	0.000	0.000
281	A	282	ILE	0	0.017	0.011	42.170	-0.003	-0.003	0.000	0.000	0.000	0.000
282	A	283	TYR	0	-0.115	-0.110	34.035	-0.002	-0.002	0.000	0.000	0.000	0.000
283	A	284	LEU	0	0.009	-0.001	39.464	0.001	0.001	0.000	0.000	0.000	0.000
284	A	285	THR	0	-0.015	-0.005	36.899	-0.005	-0.005	0.000	0.000	0.000	0.000
285	A	286	PRO	0	-0.034	0.002	35.298	0.005	0.005	0.000	0.000	0.000	0.000
286	A	287	ILE	0	0.033	0.001	38.105	0.003	0.003	0.000	0.000	0.000	0.000
287	A	288	PHE	0	-0.034	-0.011	37.281	0.004	0.004	0.000	0.000	0.000	0.000
288	A	289	SER	0	0.049	0.034	40.847	-0.001	-0.001	0.000	0.000	0.000	0.000
289	A	290	SER	0	0.017	0.024	37.911	-0.006	-0.006	0.000	0.000	0.000	0.000
290	A	291	THR	0	0.002	0.013	38.508	0.005	0.005	0.000	0.000	0.000	0.000
291	A	292	SER	0	-0.069	-0.037	37.392	0.002	0.002	0.000	0.000	0.000	0.000
292	A	293	TYR	0	-0.006	-0.001	37.787	-0.001	-0.001	0.000	0.000	0.000	0.000
293	A	294	HIS	0	-0.013	-0.014	34.557	0.001	0.001	0.000	0.000	0.000	0.000
294	A	295	ARG	1	0.921	0.981	37.561	0.092	0.092	0.000	0.000	0.000	0.000
295	A	296	TYR	0	-0.022	-0.049	32.085	0.001	0.001	0.000	0.000	0.000	0.000
296	A	297	ASP	-1	-0.811	-0.905	32.608	-0.135	-0.135	0.000	0.000	0.000	0.000
297	A	298	THR	0	-0.027	-0.020	34.571	0.009	0.009	0.000	0.000	0.000	0.000
298	A	299	ILE	0	0.033	0.002	36.019	-0.006	-0.006	0.000	0.000	0.000	0.000
299	A	300	ASP	-1	-0.786	-0.905	38.707	-0.093	-0.093	0.000	0.000	0.000	0.000
300	A	301	TYR	0	-0.039	-0.030	32.510	0.002	0.002	0.000	0.000	0.000	0.000
301	A	302	LYS	1	0.842	0.935	39.127	0.090	0.090	0.000	0.000	0.000	0.000
302	A	303	SER	0	-0.003	0.007	42.677	0.005	0.005	0.000	0.000	0.000	0.000
303	A	304	ILE	0	-0.021	-0.011	43.494	-0.005	-0.005	0.000	0.000	0.000	0.000
304	A	305	ASP	-1	-0.862	-0.949	43.263	-0.087	-0.087	0.000	0.000	0.000	0.000
305	A	306	LYS	1	1.026	1.002	45.211	0.078	0.078	0.000	0.000	0.000	0.000
306	A	307	TYR	0	-0.004	-0.003	46.349	0.003	0.003	0.000	0.000	0.000	0.000
307	A	308	LEU	0	-0.076	-0.021	43.631	0.000	0.000	0.000	0.000	0.000	0.000
308	A	309	GLY	0	0.080	0.043	48.251	0.002	0.002	0.000	0.000	0.000	0.000
309	A	310	THR	0	-0.026	-0.020	49.997	-0.002	-0.002	0.000	0.000	0.000	0.000
310	A	311	MET	0	-0.011	-0.016	47.336	-0.002	-0.002	0.000	0.000	0.000	0.000
311	A	312	GLU	-1	-0.905	-0.954	50.556	-0.053	-0.053	0.000	0.000	0.000	0.000
312	A	313	ASP	-1	-0.844	-0.908	51.734	-0.060	-0.060	0.000	0.000	0.000	0.000
313	A	314	PHE	0	-0.011	-0.019	44.646	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	315	GLU	-1	-0.780	-0.909	49.738	-0.069	-0.069	0.000	0.000	0.000	0.000
315	A	316	LYS	1	0.888	0.956	51.409	0.054	0.054	0.000	0.000	0.000	0.000
316	A	317	LEU	0	0.005	-0.001	47.642	0.001	0.001	0.000	0.000	0.000	0.000
317	A	318	VAL	0	0.020	0.012	47.114	0.000	0.000	0.000	0.000	0.000	0.000
318	A	319	GLN	0	-0.023	-0.005	49.675	0.002	0.002	0.000	0.000	0.000	0.000
319	A	320	VAL	0	0.015	0.006	53.130	0.001	0.001	0.000	0.000	0.000	0.000
320	A	321	LEU	0	0.012	0.019	47.090	0.001	0.001	0.000	0.000	0.000	0.000
321	A	322	HIS	1	0.827	0.894	46.704	0.071	0.071	0.000	0.000	0.000	0.000
322	A	323	SER	0	-0.081	-0.037	51.316	0.002	0.002	0.000	0.000	0.000	0.000
323	A	324	ARG	1	0.857	0.930	52.626	0.054	0.054	0.000	0.000	0.000	0.000
324	A	325	LYS	1	0.847	0.918	51.057	0.051	0.051	0.000	0.000	0.000	0.000
325	A	326	ILE	0	-0.011	0.010	46.747	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	327	LYS	1	0.905	0.951	43.763	0.074	0.074	0.000	0.000	0.000	0.000
327	A	328	ILE	0	0.006	0.006	42.974	-0.001	-0.001	0.000	0.000	0.000	0.000
328	A	329	VAL	0	-0.027	-0.003	36.672	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	330	LEU	0	0.032	0.012	38.787	0.000	0.000	0.000	0.000	0.000	0.000
330	A	331	ASP	-1	-0.718	-0.788	33.268	-0.157	-0.157	0.000	0.000	0.000	0.000
331	A	332	ILE	0	0.009	0.020	32.686	0.004	0.004	0.000	0.000	0.000	0.000
332	A	333	THR	0	0.027	0.009	30.697	-0.006	-0.006	0.000	0.000	0.000	0.000
333	A	334	MET	0	-0.017	0.006	28.980	-0.002	-0.002	0.000	0.000	0.000	0.000
334	A	335	HIS	0	-0.028	-0.015	22.602	-0.031	-0.031	0.000	0.000	0.000	0.000
335	A	336	HIS	0	0.068	0.032	26.420	-0.024	-0.024	0.000	0.000	0.000	0.000
336	A	337	THR	0	-0.015	0.006	28.657	0.012	0.012	0.000	0.000	0.000	0.000
337	A	338	ASN	0	0.049	0.029	32.005	-0.003	-0.003	0.000	0.000	0.000	0.000
338	A	339	PRO	0	-0.005	0.002	32.747	0.003	0.003	0.000	0.000	0.000	0.000
339	A	340	CYS	0	-0.052	-0.005	34.798	0.002	0.002	0.000	0.000	0.000	0.000
340	A	341	ASN	0	-0.033	0.003	35.338	0.010	0.010	0.000	0.000	0.000	0.000
341	A	342	GLU	-1	-0.876	-0.944	37.401	-0.088	-0.088	0.000	0.000	0.000	0.000
342	A	343	LEU	0	-0.040	-0.026	33.855	0.002	0.002	0.000	0.000	0.000	0.000
343	A	344	PHE	0	-0.017	-0.006	30.029	-0.003	-0.003	0.000	0.000	0.000	0.000
344	A	345	VAL	0	0.032	0.019	34.628	0.001	0.001	0.000	0.000	0.000	0.000
345	A	346	LYS	1	0.962	0.973	37.786	0.090	0.090	0.000	0.000	0.000	0.000
346	A	347	ALA	0	-0.023	0.001	32.483	0.002	0.002	0.000	0.000	0.000	0.000
347	A	348	LEU	0	-0.039	-0.034	33.015	0.000	0.000	0.000	0.000	0.000	0.000
348	A	349	ARG	1	0.856	0.936	35.497	0.084	0.084	0.000	0.000	0.000	0.000
349	A	350	GLU	-1	-0.970	-0.986	36.492	-0.077	-0.077	0.000	0.000	0.000	0.000
350	A	351	GLY	0	0.041	0.051	34.259	0.003	0.003	0.000	0.000	0.000	0.000
351	A	352	GLU	-1	-0.921	-0.949	28.758	-0.132	-0.132	0.000	0.000	0.000	0.000
352	A	353	ASN	0	0.005	-0.010	30.717	0.005	0.005	0.000	0.000	0.000	0.000
353	A	354	SER	0	0.006	-0.033	32.352	0.003	0.003	0.000	0.000	0.000	0.000
354	A	355	PRO	0	-0.038	-0.033	32.093	-0.010	-0.010	0.000	0.000	0.000	0.000
355	A	356	TYR	0	0.069	-0.004	32.377	-0.007	-0.007	0.000	0.000	0.000	0.000
356	A	357	TRP	0	0.055	0.066	27.609	-0.008	-0.008	0.000	0.000	0.000	0.000
357	A	358	GLU	-1	-0.939	-0.973	26.548	-0.189	-0.189	0.000	0.000	0.000	0.000
358	A	359	MET	0	-0.056	-0.006	27.823	-0.009	-0.009	0.000	0.000	0.000	0.000
359	A	360	PHE	0	0.007	0.007	27.213	-0.007	-0.007	0.000	0.000	0.000	0.000
360	A	361	SER	0	-0.027	0.000	21.986	-0.007	-0.007	0.000	0.000	0.000	0.000
361	A	362	PHE	0	0.007	0.005	23.789	-0.011	-0.011	0.000	0.000	0.000	0.000
362	A	363	LEU	0	-0.029	-0.008	20.084	-0.014	-0.014	0.000	0.000	0.000	0.000
363	A	364	SER	0	-0.008	-0.008	23.316	-0.003	-0.003	0.000	0.000	0.000	0.000
364	A	365	PRO	0	0.024	0.020	25.486	0.000	0.000	0.000	0.000	0.000	0.000
365	A	366	PRO	0	-0.014	0.003	29.264	0.004	0.004	0.000	0.000	0.000	0.000
366	A	367	PRO	0	-0.017	-0.012	31.054	0.005	0.005	0.000	0.000	0.000	0.000
367	A	368	LYS	1	1.029	1.006	34.567	0.076	0.076	0.000	0.000	0.000	0.000
368	A	369	GLU	-1	-0.842	-0.938	37.495	-0.080	-0.080	0.000	0.000	0.000	0.000
369	A	370	ILE	0	-0.019	-0.003	33.471	0.000	0.000	0.000	0.000	0.000	0.000
370	A	371	VAL	0	0.021	0.010	34.284	-0.002	-0.002	0.000	0.000	0.000	0.000
371	A	372	GLU	-1	-0.909	-0.954	36.722	-0.076	-0.076	0.000	0.000	0.000	0.000
372	A	373	LEU	0	-0.059	-0.017	38.798	0.002	0.002	0.000	0.000	0.000	0.000
373	A	374	MET	0	-0.049	-0.037	32.956	-0.002	-0.002	0.000	0.000	0.000	0.000
374	A	375	LEU	0	0.004	-0.008	38.287	0.000	0.000	0.000	0.000	0.000	0.000
375	A	376	LYS	1	0.980	1.014	40.362	0.072	0.072	0.000	0.000	0.000	0.000
376	A	377	TYR	0	-0.117	-0.061	40.456	0.004	0.004	0.000	0.000	0.000	0.000
377	A	378	ILE	0	-0.060	-0.045	36.986	-0.002	-0.002	0.000	0.000	0.000	0.000
378	A	379	ASP	-1	-0.914	-0.949	40.464	-0.080	-0.080	0.000	0.000	0.000	0.000
379	A	380	GLY	0	0.073	0.027	42.963	0.002	0.002	0.000	0.000	0.000	0.000
380	A	381	GLU	-1	-1.004	-0.993	45.792	-0.062	-0.062	0.000	0.000	0.000	0.000
381	A	382	GLU	-1	-0.969	-0.981	46.980	-0.072	-0.072	0.000	0.000	0.000	0.000
382	A	384	ARG	1	0.910	0.946	42.911	0.075	0.075	0.000	0.000	0.000	0.000
383	A	385	SER	0	0.070	0.003	37.363	0.000	0.000	0.000	0.000	0.000	0.000
384	A	386	ARG	1	0.899	0.941	36.401	0.113	0.113	0.000	0.000	0.000	0.000
385	A	387	GLU	-1	-0.894	-0.933	39.682	-0.078	-0.078	0.000	0.000	0.000	0.000
386	A	388	LEU	0	0.058	0.041	35.562	0.003	0.003	0.000	0.000	0.000	0.000
387	A	389	TYR	0	-0.028	-0.025	33.229	-0.003	-0.003	0.000	0.000	0.000	0.000
388	A	390	LYS	1	0.877	0.935	38.077	0.083	0.083	0.000	0.000	0.000	0.000
389	A	391	LEU	0	-0.011	0.009	39.031	0.004	0.004	0.000	0.000	0.000	0.000
390	A	392	ASP	-1	-0.836	-0.951	38.096	-0.087	-0.087	0.000	0.000	0.000	0.000
391	A	393	TYR	0	0.001	-0.005	31.078	-0.004	-0.004	0.000	0.000	0.000	0.000
392	A	394	PHE	0	0.014	0.006	33.341	-0.007	-0.007	0.000	0.000	0.000	0.000
393	A	395	ARG	1	0.849	0.956	32.760	0.085	0.085	0.000	0.000	0.000	0.000
394	A	396	ASN	0	-0.035	-0.008	32.347	-0.006	-0.006	0.000	0.000	0.000	0.000
395	A	397	ASN	0	-0.035	-0.011	29.139	0.000	0.000	0.000	0.000	0.000	0.000
396	A	398	LYS	1	0.949	0.969	21.859	0.224	0.224	0.000	0.000	0.000	0.000
397	A	399	PRO	0	0.019	0.010	26.089	0.007	0.007	0.000	0.000	0.000	0.000
398	A	400	PHE	0	0.016	0.019	25.688	-0.014	-0.014	0.000	0.000	0.000	0.000
399	A	401	TYR	0	-0.017	-0.040	25.062	0.002	0.002	0.000	0.000	0.000	0.000
400	A	402	GLU	-1	-0.811	-0.884	19.261	-0.392	-0.392	0.000	0.000	0.000	0.000
401	A	403	ALA	0	0.039	0.005	23.147	0.019	0.019	0.000	0.000	0.000	0.000
402	A	404	PHE	0	-0.021	-0.004	23.475	-0.022	-0.022	0.000	0.000	0.000	0.000
403	A	405	PHE	0	-0.008	-0.012	20.366	0.014	0.014	0.000	0.000	0.000	0.000
404	A	406	ASN	0	-0.049	-0.032	21.313	0.009	0.009	0.000	0.000	0.000	0.000
405	A	407	ILE	0	0.015	0.018	24.956	0.018	0.018	0.000	0.000	0.000	0.000
406	A	408	TRP	0	0.051	0.026	28.502	-0.002	-0.002	0.000	0.000	0.000	0.000
407	A	409	LEU	0	-0.045	-0.017	30.865	0.001	0.001	0.000	0.000	0.000	0.000
408	A	410	MET	0	-0.054	-0.027	28.639	0.002	0.002	0.000	0.000	0.000	0.000
409	A	411	ALA	0	0.055	0.033	27.753	-0.018	-0.018	0.000	0.000	0.000	0.000
410	A	412	LYS	1	0.902	0.959	19.785	0.373	0.373	0.000	0.000	0.000	0.000
411	A	413	PHE	0	-0.003	-0.006	26.050	0.008	0.008	0.000	0.000	0.000	0.000
412	A	414	ASN	0	-0.020	-0.015	23.505	-0.045	-0.045	0.000	0.000	0.000	0.000
413	A	415	HIS	0	-0.038	-0.043	22.177	-0.010	-0.010	0.000	0.000	0.000	0.000
414	A	416	ASP	-1	-0.795	-0.886	19.612	-0.367	-0.367	0.000	0.000	0.000	0.000
415	A	417	ASN	0	-0.046	-0.042	22.813	0.025	0.025	0.000	0.000	0.000	0.000
416	A	418	PRO	0	0.047	0.021	26.541	0.000	0.000	0.000	0.000	0.000	0.000
417	A	419	ARG	1	0.966	1.015	28.811	0.137	0.137	0.000	0.000	0.000	0.000
418	A	420	THR	0	-0.002	-0.009	27.687	0.003	0.003	0.000	0.000	0.000	0.000
419	A	421	VAL	0	-0.020	-0.004	28.242	0.001	0.001	0.000	0.000	0.000	0.000
420	A	422	ASP	-1	-0.863	-0.945	30.676	-0.114	-0.114	0.000	0.000	0.000	0.000
421	A	423	TYR	0	-0.005	0.003	33.110	0.006	0.006	0.000	0.000	0.000	0.000
422	A	424	PHE	0	0.059	0.013	30.622	0.005	0.005	0.000	0.000	0.000	0.000
423	A	425	ILE	0	-0.034	0.008	33.251	0.004	0.004	0.000	0.000	0.000	0.000
424	A	426	ASP	-1	-0.869	-0.926	35.894	-0.087	-0.087	0.000	0.000	0.000	0.000
425	A	427	ILE	0	0.019	0.005	35.919	0.005	0.005	0.000	0.000	0.000	0.000
426	A	428	THR	0	-0.042	-0.021	35.908	0.001	0.001	0.000	0.000	0.000	0.000
427	A	429	LYS	1	0.923	0.967	38.469	0.091	0.091	0.000	0.000	0.000	0.000
428	A	430	PHE	0	0.057	0.037	41.677	0.005	0.005	0.000	0.000	0.000	0.000
429	A	431	TRP	0	0.018	-0.035	40.186	0.006	0.006	0.000	0.000	0.000	0.000
430	A	432	ILE	0	-0.036	0.001	39.875	0.002	0.002	0.000	0.000	0.000	0.000
431	A	433	ASP	-1	-0.941	-0.965	43.567	-0.068	-0.068	0.000	0.000	0.000	0.000
432	A	434	LYS	1	0.774	0.900	45.693	0.076	0.076	0.000	0.000	0.000	0.000
433	A	435	GLY	0	-0.004	0.015	46.608	0.002	0.002	0.000	0.000	0.000	0.000
434	A	436	ILE	0	-0.078	-0.045	40.113	0.000	0.000	0.000	0.000	0.000	0.000
435	A	437	ASP	-1	-0.793	-0.893	42.356	-0.078	-0.078	0.000	0.000	0.000	0.000
436	A	438	GLY	0	0.019	-0.009	38.292	-0.001	-0.001	0.000	0.000	0.000	0.000
437	A	439	PHE	0	0.010	0.009	34.202	0.002	0.002	0.000	0.000	0.000	0.000
438	A	440	ARG	1	0.766	0.868	29.771	0.169	0.169	0.000	0.000	0.000	0.000
439	A	441	ILE	0	-0.006	-0.012	27.729	0.002	0.002	0.000	0.000	0.000	0.000
440	A	442	ASP	-1	-0.814	-0.945	28.646	-0.202	-0.202	0.000	0.000	0.000	0.000
441	A	443	VAL	0	-0.008	-0.014	23.188	-0.010	-0.010	0.000	0.000	0.000	0.000
442	A	444	ALA	0	0.018	0.014	24.039	-0.018	-0.018	0.000	0.000	0.000	0.000
443	A	445	MET	0	-0.056	-0.020	19.773	-0.017	-0.017	0.000	0.000	0.000	0.000
444	A	446	GLY	0	0.018	0.009	19.316	-0.045	-0.045	0.000	0.000	0.000	0.000
445	A	447	ILE	0	-0.061	-0.022	20.647	-0.006	-0.006	0.000	0.000	0.000	0.000
446	A	448	HIS	0	0.046	0.048	16.425	0.027	0.027	0.000	0.000	0.000	0.000
447	A	449	TYR	0	0.020	-0.008	16.641	0.035	0.035	0.000	0.000	0.000	0.000
448	A	450	SER	0	-0.059	-0.042	20.626	0.043	0.043	0.000	0.000	0.000	0.000
449	A	451	TRP	0	0.000	0.005	22.448	0.025	0.025	0.000	0.000	0.000	0.000
450	A	452	MET	0	0.000	-0.002	23.997	0.028	0.028	0.000	0.000	0.000	0.000
451	A	453	LYS	1	0.954	0.984	24.523	0.188	0.188	0.000	0.000	0.000	0.000
452	A	454	GLN	0	0.002	-0.001	25.343	0.030	0.030	0.000	0.000	0.000	0.000
453	A	455	TYR	0	-0.001	-0.028	28.594	0.013	0.013	0.000	0.000	0.000	0.000
454	A	456	TYR	0	-0.050	-0.042	28.866	0.014	0.014	0.000	0.000	0.000	0.000
455	A	457	GLU	-1	-0.923	-0.969	29.245	-0.121	-0.121	0.000	0.000	0.000	0.000
456	A	458	TYR	0	0.023	0.026	31.851	0.012	0.012	0.000	0.000	0.000	0.000
457	A	459	ILE	0	-0.002	-0.004	34.036	0.010	0.010	0.000	0.000	0.000	0.000
458	A	460	LYS	1	0.810	0.906	33.650	0.118	0.118	0.000	0.000	0.000	0.000
459	A	461	ASN	0	-0.030	-0.014	35.851	0.007	0.007	0.000	0.000	0.000	0.000
460	A	462	THR	0	-0.079	-0.033	37.898	0.007	0.007	0.000	0.000	0.000	0.000
461	A	463	TYR	0	0.019	-0.009	39.013	0.004	0.004	0.000	0.000	0.000	0.000
462	A	464	PRO	0	0.019	0.013	39.001	-0.004	-0.004	0.000	0.000	0.000	0.000
463	A	465	ASP	-1	-0.915	-0.970	39.326	-0.078	-0.078	0.000	0.000	0.000	0.000
464	A	466	PHE	0	0.017	0.028	36.149	0.000	0.000	0.000	0.000	0.000	0.000
465	A	467	LEU	0	-0.036	-0.012	34.714	-0.004	-0.004	0.000	0.000	0.000	0.000
466	A	468	VAL	0	0.026	0.015	30.468	-0.003	-0.003	0.000	0.000	0.000	0.000
467	A	469	LEU	0	-0.019	-0.017	30.889	-0.005	-0.005	0.000	0.000	0.000	0.000
468	A	470	GLY	0	0.053	0.027	27.537	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	471	GLU	-1	-0.891	-0.960	26.578	-0.214	-0.214	0.000	0.000	0.000	0.000
470	A	472	LEU	0	-0.029	-0.017	22.451	-0.018	-0.018	0.000	0.000	0.000	0.000
471	A	473	ALA	0	0.015	0.010	21.215	0.019	0.019	0.000	0.000	0.000	0.000
472	A	474	GLU	-1	-0.810	-0.912	17.029	-0.374	-0.374	0.000	0.000	0.000	0.000
473	A	475	ASN	0	0.004	-0.001	19.826	0.040	0.040	0.000	0.000	0.000	0.000
474	A	476	PRO	0	0.094	0.028	21.356	-0.015	-0.015	0.000	0.000	0.000	0.000
475	A	477	ARG	1	0.855	0.928	18.663	0.243	0.243	0.000	0.000	0.000	0.000
476	A	478	ILE	0	-0.082	-0.018	17.186	0.007	0.007	0.000	0.000	0.000	0.000
477	A	479	TYR	0	-0.001	-0.035	18.194	0.009	0.009	0.000	0.000	0.000	0.000
478	A	480	MET	0	-0.037	-0.003	22.878	0.009	0.009	0.000	0.000	0.000	0.000
479	A	481	ASP	-1	-0.923	-0.960	24.505	-0.156	-0.156	0.000	0.000	0.000	0.000
480	A	482	TYR	0	-0.085	-0.049	21.093	0.005	0.005	0.000	0.000	0.000	0.000
481	A	483	PHE	0	0.049	0.022	24.030	0.001	0.001	0.000	0.000	0.000	0.000
482	A	484	ASP	-1	-0.802	-0.867	28.889	-0.116	-0.116	0.000	0.000	0.000	0.000
483	A	485	SER	0	-0.055	-0.081	30.979	0.001	0.001	0.000	0.000	0.000	0.000
484	A	486	ALA	0	0.063	0.033	26.545	-0.010	-0.010	0.000	0.000	0.000	0.000
485	A	487	MET	0	-0.034	-0.004	28.530	0.009	0.009	0.000	0.000	0.000	0.000
486	A	488	ASN	0	0.028	0.019	27.571	-0.029	-0.029	0.000	0.000	0.000	0.000
487	A	489	TYR	0	0.073	0.029	25.552	0.014	0.014	0.000	0.000	0.000	0.000
488	A	490	TYR	0	0.000	0.019	21.398	0.007	0.007	0.000	0.000	0.000	0.000
489	A	491	LEU	0	-0.019	-0.010	25.361	0.007	0.007	0.000	0.000	0.000	0.000
490	A	492	ARG	1	0.942	0.967	28.801	0.160	0.160	0.000	0.000	0.000	0.000
491	A	493	LYS	1	0.876	0.941	21.197	0.267	0.267	0.000	0.000	0.000	0.000
492	A	494	ALA	0	-0.013	-0.008	27.296	0.006	0.006	0.000	0.000	0.000	0.000
493	A	495	ILE	0	0.030	0.003	28.366	0.010	0.010	0.000	0.000	0.000	0.000
494	A	496	LEU	0	0.004	0.004	30.010	0.008	0.008	0.000	0.000	0.000	0.000
495	A	497	GLU	-1	-0.807	-0.905	24.925	-0.185	-0.185	0.000	0.000	0.000	0.000
496	A	498	LEU	0	0.016	0.031	29.635	0.006	0.006	0.000	0.000	0.000	0.000
497	A	499	LEU	0	-0.009	-0.020	32.327	0.008	0.008	0.000	0.000	0.000	0.000
498	A	500	ILE	0	-0.035	0.005	33.492	0.007	0.007	0.000	0.000	0.000	0.000
499	A	501	TYR	0	-0.031	-0.030	29.255	0.000	0.000	0.000	0.000	0.000	0.000
500	A	502	LYS	1	0.797	0.896	31.802	0.089	0.089	0.000	0.000	0.000	0.000
501	A	503	ARG	1	0.901	0.958	25.175	0.167	0.167	0.000	0.000	0.000	0.000
502	A	504	ILE	0	-0.041	-0.005	26.565	-0.004	-0.004	0.000	0.000	0.000	0.000
503	A	505	ASP	-1	-0.817	-0.904	29.484	-0.086	-0.086	0.000	0.000	0.000	0.000
504	A	506	LEU	0	-0.015	-0.029	31.562	-0.005	-0.005	0.000	0.000	0.000	0.000
505	A	507	ASN	0	0.064	0.023	31.699	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	508	GLU	-1	-0.849	-0.927	25.058	-0.156	-0.156	0.000	0.000	0.000	0.000
507	A	509	PHE	0	-0.030	-0.014	27.983	-0.010	-0.010	0.000	0.000	0.000	0.000
508	A	510	ILE	0	0.005	-0.007	29.748	-0.006	-0.006	0.000	0.000	0.000	0.000
509	A	511	SER	0	0.032	0.025	25.714	0.000	0.000	0.000	0.000	0.000	0.000
510	A	512	ARG	1	0.829	0.912	23.914	0.170	0.170	0.000	0.000	0.000	0.000
511	A	513	ILE	0	0.019	0.003	26.347	-0.010	-0.010	0.000	0.000	0.000	0.000
512	A	514	ASN	0	-0.020	-0.013	28.689	-0.004	-0.004	0.000	0.000	0.000	0.000
513	A	515	ASN	0	0.028	0.025	21.066	0.010	0.010	0.000	0.000	0.000	0.000
514	A	516	VAL	0	-0.057	-0.016	24.023	-0.019	-0.019	0.000	0.000	0.000	0.000
515	A	517	TYR	0	-0.030	-0.064	26.201	0.005	0.005	0.000	0.000	0.000	0.000
516	A	518	ALA	0	-0.031	-0.014	28.239	0.006	0.006	0.000	0.000	0.000	0.000
517	A	519	TYR	0	-0.017	-0.010	23.084	0.003	0.003	0.000	0.000	0.000	0.000
518	A	520	ILE	0	-0.009	0.015	25.960	-0.009	-0.009	0.000	0.000	0.000	0.000
519	A	521	PRO	0	-0.003	0.008	28.189	0.010	0.010	0.000	0.000	0.000	0.000
520	A	522	HIS	0	0.065	0.054	31.707	-0.009	-0.009	0.000	0.000	0.000	0.000
521	A	523	TYR	0	0.042	0.013	33.305	-0.004	-0.004	0.000	0.000	0.000	0.000
522	A	524	LYS	1	0.946	0.985	29.586	0.139	0.139	0.000	0.000	0.000	0.000
523	A	525	ALA	0	0.008	0.006	31.486	-0.004	-0.004	0.000	0.000	0.000	0.000
524	A	526	LEU	0	-0.044	-0.020	32.381	-0.001	-0.001	0.000	0.000	0.000	0.000
525	A	527	SER	0	0.009	-0.010	33.508	0.005	0.005	0.000	0.000	0.000	0.000
526	A	528	LEU	0	-0.089	0.015	28.926	-0.005	-0.005	0.000	0.000	0.000	0.000
527	A	529	TYR	0	0.072	0.058	31.622	0.010	0.010	0.000	0.000	0.000	0.000
528	A	530	ASN	0	0.058	0.017	32.026	-0.018	-0.018	0.000	0.000	0.000	0.000
529	A	531	MET	0	-0.005	0.008	30.837	0.006	0.006	0.000	0.000	0.000	0.000
530	A	532	LEU	0	0.034	0.011	33.233	-0.006	-0.006	0.000	0.000	0.000	0.000
531	A	533	GLY	0	-0.010	-0.006	34.333	-0.003	-0.003	0.000	0.000	0.000	0.000
532	A	534	SER	0	0.005	-0.021	31.507	0.002	0.002	0.000	0.000	0.000	0.000
533	A	535	HIS	1	0.931	0.969	32.458	0.150	0.150	0.000	0.000	0.000	0.000
534	A	536	ASP	-1	-0.854	-0.928	29.688	-0.171	-0.171	0.000	0.000	0.000	0.000
535	A	537	VAL	0	-0.115	-0.053	29.803	-0.007	-0.007	0.000	0.000	0.000	0.000
536	A	538	PRO	0	0.014	0.002	32.257	0.006	0.006	0.000	0.000	0.000	0.000
537	A	539	ARG	1	0.788	0.892	35.449	0.094	0.094	0.000	0.000	0.000	0.000
538	A	540	ILE	0	0.004	-0.002	35.561	0.001	0.001	0.000	0.000	0.000	0.000
539	A	541	LYS	1	0.933	0.958	38.043	0.070	0.070	0.000	0.000	0.000	0.000
540	A	542	SER	0	0.028	0.012	39.443	0.002	0.002	0.000	0.000	0.000	0.000
541	A	543	MET	0	-0.026	0.002	34.060	-0.003	-0.003	0.000	0.000	0.000	0.000
542	A	544	VAL	0	-0.052	-0.019	37.693	0.000	0.000	0.000	0.000	0.000	0.000
543	A	545	GLN	0	-0.017	0.009	39.667	0.007	0.007	0.000	0.000	0.000	0.000
544	A	546	ASN	0	0.027	-0.002	42.685	0.005	0.005	0.000	0.000	0.000	0.000
545	A	547	ASN	0	0.054	0.026	44.043	-0.004	-0.004	0.000	0.000	0.000	0.000
546	A	548	LYS	1	0.908	0.951	45.911	0.053	0.053	0.000	0.000	0.000	0.000
547	A	549	LEU	0	0.020	0.017	38.894	0.000	0.000	0.000	0.000	0.000	0.000
548	A	550	LEU	0	0.045	0.038	40.665	-0.003	-0.003	0.000	0.000	0.000	0.000
549	A	551	LYS	1	0.884	0.920	42.009	0.055	0.055	0.000	0.000	0.000	0.000
550	A	552	LEU	0	0.000	0.012	40.879	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	553	MET	0	-0.024	-0.011	36.747	-0.003	-0.003	0.000	0.000	0.000	0.000
552	A	554	TYR	0	0.068	0.017	38.949	-0.004	-0.004	0.000	0.000	0.000	0.000
553	A	555	VAL	0	-0.017	-0.006	41.268	0.000	0.000	0.000	0.000	0.000	0.000
554	A	556	LEU	0	-0.031	-0.019	35.465	0.000	0.000	0.000	0.000	0.000	0.000
555	A	557	ILE	0	-0.022	-0.016	34.831	-0.002	-0.002	0.000	0.000	0.000	0.000
556	A	558	PHE	0	-0.006	-0.014	37.942	-0.001	-0.001	0.000	0.000	0.000	0.000
557	A	559	ALA	0	-0.033	0.011	40.011	0.002	0.002	0.000	0.000	0.000	0.000
558	A	560	LEU	0	-0.027	-0.024	33.982	0.002	0.002	0.000	0.000	0.000	0.000
559	A	561	PRO	0	-0.040	0.002	34.570	0.001	0.001	0.000	0.000	0.000	0.000
560	A	562	GLY	0	0.016	-0.002	34.897	-0.008	-0.008	0.000	0.000	0.000	0.000
561	A	563	SER	0	-0.008	0.017	35.651	0.010	0.010	0.000	0.000	0.000	0.000
562	A	564	PRO	0	-0.016	0.016	36.693	-0.007	-0.007	0.000	0.000	0.000	0.000
563	A	565	VAL	0	-0.024	-0.009	35.345	0.002	0.002	0.000	0.000	0.000	0.000
564	A	566	ILE	0	-0.033	-0.013	38.490	0.001	0.001	0.000	0.000	0.000	0.000
565	A	567	TYR	0	-0.054	-0.026	37.871	-0.002	-0.002	0.000	0.000	0.000	0.000
566	A	568	TYR	0	0.042	0.003	39.860	0.002	0.002	0.000	0.000	0.000	0.000
567	A	569	GLY	0	0.075	0.031	43.042	-0.002	-0.002	0.000	0.000	0.000	0.000
568	A	570	ASP	-1	-0.867	-0.918	39.637	-0.097	-0.097	0.000	0.000	0.000	0.000
569	A	571	GLU	-1	-0.806	-0.898	43.317	-0.076	-0.076	0.000	0.000	0.000	0.000
570	A	572	ILE	0	-0.027	-0.010	46.150	0.003	0.003	0.000	0.000	0.000	0.000
571	A	573	GLY	0	0.010	0.008	45.783	0.002	0.002	0.000	0.000	0.000	0.000
572	A	574	LEU	0	-0.009	0.005	43.850	0.001	0.001	0.000	0.000	0.000	0.000
573	A	575	GLU	-1	-0.986	-0.988	42.680	-0.076	-0.076	0.000	0.000	0.000	0.000
574	A	576	GLY	0	0.000	-0.028	41.036	0.001	0.001	0.000	0.000	0.000	0.000
575	A	577	GLY	0	-0.021	-0.009	37.854	-0.003	-0.003	0.000	0.000	0.000	0.000
576	A	578	ARG	1	0.924	0.952	29.169	0.144	0.144	0.000	0.000	0.000	0.000
577	A	579	ASP	-1	-0.895	-0.924	33.254	-0.130	-0.130	0.000	0.000	0.000	0.000
578	A	580	PRO	0	0.070	0.026	35.237	-0.002	-0.002	0.000	0.000	0.000	0.000
579	A	581	ASP	-1	-0.780	-0.906	37.893	-0.086	-0.086	0.000	0.000	0.000	0.000
580	A	582	ASN	0	-0.072	-0.041	34.534	0.008	0.008	0.000	0.000	0.000	0.000
581	A	583	ARG	1	0.896	0.945	33.759	0.129	0.129	0.000	0.000	0.000	0.000
582	A	584	ARG	1	0.895	0.983	40.766	0.085	0.085	0.000	0.000	0.000	0.000
583	A	585	PRO	0	0.029	0.015	44.293	-0.001	-0.001	0.000	0.000	0.000	0.000
584	A	586	MET	0	0.009	0.028	47.223	-0.001	-0.001	0.000	0.000	0.000	0.000
585	A	587	ILE	0	-0.015	0.001	48.076	0.002	0.002	0.000	0.000	0.000	0.000
586	A	588	TRP	0	0.013	-0.015	49.993	0.001	0.001	0.000	0.000	0.000	0.000
587	A	589	ASP	-1	-0.870	-0.917	54.082	-0.048	-0.048	0.000	0.000	0.000	0.000
588	A	590	ARG	1	0.981	0.964	55.487	0.047	0.047	0.000	0.000	0.000	0.000
589	A	591	GLY	0	-0.021	0.005	56.702	0.000	0.000	0.000	0.000	0.000	0.000
590	A	592	ASN	0	-0.045	-0.025	53.339	0.001	0.001	0.000	0.000	0.000	0.000
591	A	593	TRP	0	-0.090	-0.053	51.957	-0.002	-0.002	0.000	0.000	0.000	0.000
592	A	594	ASP	-1	-0.842	-0.919	49.065	-0.061	-0.061	0.000	0.000	0.000	0.000
593	A	595	LEU	0	0.035	-0.009	50.938	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	596	GLU	-1	-0.844	-0.896	51.262	-0.054	-0.054	0.000	0.000	0.000	0.000
595	A	597	LEU	0	-0.034	-0.016	44.902	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	598	TYR	0	-0.027	-0.037	48.567	-0.002	-0.002	0.000	0.000	0.000	0.000
597	A	599	GLU	-1	-0.871	-0.954	50.233	-0.053	-0.053	0.000	0.000	0.000	0.000
598	A	600	HIS	0	-0.071	-0.008	45.099	0.003	0.003	0.000	0.000	0.000	0.000
599	A	601	ILE	0	0.005	-0.005	44.260	0.000	0.000	0.000	0.000	0.000	0.000
600	A	602	LYS	1	0.884	0.958	47.270	0.053	0.053	0.000	0.000	0.000	0.000
601	A	603	LYS	1	0.831	0.931	50.081	0.052	0.052	0.000	0.000	0.000	0.000
602	A	604	LEU	0	-0.058	-0.017	43.971	0.001	0.001	0.000	0.000	0.000	0.000
603	A	605	ILE	0	0.040	0.019	45.342	-0.001	-0.001	0.000	0.000	0.000	0.000
604	A	606	ARG	1	0.954	0.975	47.372	0.052	0.052	0.000	0.000	0.000	0.000
605	A	607	ILE	0	0.002	0.002	47.707	0.002	0.002	0.000	0.000	0.000	0.000
606	A	608	TYR	0	0.002	-0.034	39.908	0.001	0.001	0.000	0.000	0.000	0.000
607	A	609	LYS	1	0.824	0.918	46.370	0.063	0.063	0.000	0.000	0.000	0.000
608	A	610	SER	0	-0.019	0.000	48.912	0.001	0.001	0.000	0.000	0.000	0.000
609	A	611	CYS	0	-0.049	-0.012	48.059	0.003	0.003	0.000	0.000	0.000	0.000
610	A	612	ARG	1	1.003	0.995	46.942	0.052	0.052	0.000	0.000	0.000	0.000
611	A	613	SER	0	-0.031	-0.017	45.096	-0.003	-0.003	0.000	0.000	0.000	0.000
612	A	614	MET	0	-0.018	0.017	43.237	-0.002	-0.002	0.000	0.000	0.000	0.000
613	A	615	ARG	1	0.730	0.838	41.939	0.066	0.066	0.000	0.000	0.000	0.000
614	A	616	HIS	0	-0.014	-0.015	40.946	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	617	GLY	0	0.050	0.021	41.218	0.002	0.002	0.000	0.000	0.000	0.000
616	A	618	TYR	0	-0.076	-0.027	38.696	-0.008	-0.008	0.000	0.000	0.000	0.000
617	A	619	PHE	0	0.023	0.001	33.466	0.002	0.002	0.000	0.000	0.000	0.000
618	A	620	LEU	0	-0.004	0.004	37.399	-0.001	-0.001	0.000	0.000	0.000	0.000
619	A	621	VAL	0	-0.032	-0.020	34.185	0.000	0.000	0.000	0.000	0.000	0.000
620	A	622	GLU	-1	-0.870	-0.935	36.811	-0.049	-0.049	0.000	0.000	0.000	0.000
621	A	623	ASN	0	-0.005	-0.013	36.080	0.001	0.001	0.000	0.000	0.000	0.000
622	A	624	LEU	0	-0.018	-0.007	38.625	0.003	0.003	0.000	0.000	0.000	0.000
623	A	625	GLY	0	0.059	0.033	40.686	0.003	0.003	0.000	0.000	0.000	0.000
624	A	626	SER	0	0.005	-0.020	41.916	-0.001	-0.001	0.000	0.000	0.000	0.000
625	A	627	ASN	0	-0.046	-0.028	38.017	0.003	0.003	0.000	0.000	0.000	0.000
626	A	628	LEU	0	0.044	0.040	40.815	-0.002	-0.002	0.000	0.000	0.000	0.000
627	A	629	LEU	0	0.009	-0.004	36.944	0.000	0.000	0.000	0.000	0.000	0.000
628	A	630	PHE	0	0.025	0.016	40.292	0.002	0.002	0.000	0.000	0.000	0.000
629	A	631	ILE	0	0.018	0.005	38.052	-0.003	-0.003	0.000	0.000	0.000	0.000
630	A	632	LYS	1	0.863	0.941	40.904	0.050	0.050	0.000	0.000	0.000	0.000
631	A	633	ARG	1	0.810	0.894	39.529	0.073	0.073	0.000	0.000	0.000	0.000
632	A	634	TRP	0	-0.024	-0.021	40.435	0.003	0.003	0.000	0.000	0.000	0.000
633	A	635	ILE	0	0.040	0.015	43.331	-0.003	-0.003	0.000	0.000	0.000	0.000
634	A	636	ASN	0	0.016	0.023	45.894	0.002	0.002	0.000	0.000	0.000	0.000
635	A	637	ASN	0	0.016	0.003	48.715	0.000	0.000	0.000	0.000	0.000	0.000
636	A	638	GLU	-1	-0.851	-0.917	49.328	-0.048	-0.048	0.000	0.000	0.000	0.000
637	A	639	GLU	-1	-0.881	-0.967	47.572	-0.043	-0.043	0.000	0.000	0.000	0.000
638	A	640	ILE	0	-0.031	-0.014	46.100	0.002	0.002	0.000	0.000	0.000	0.000
639	A	641	ILE	0	-0.062	-0.015	45.390	-0.002	-0.002	0.000	0.000	0.000	0.000
640	A	642	PHE	0	0.029	0.003	42.932	0.000	0.000	0.000	0.000	0.000	0.000
641	A	643	LEU	0	-0.023	0.000	43.968	0.000	0.000	0.000	0.000	0.000	0.000
642	A	644	LEU	0	0.017	-0.005	40.120	0.000	0.000	0.000	0.000	0.000	0.000
643	A	645	ASN	0	0.002	0.016	42.483	-0.003	-0.003	0.000	0.000	0.000	0.000
644	A	646	VAL	0	-0.029	-0.018	38.023	-0.001	-0.001	0.000	0.000	0.000	0.000
645	A	647	SER	0	-0.060	-0.030	39.663	-0.002	-0.002	0.000	0.000	0.000	0.000
646	A	648	SER	0	0.040	-0.007	42.086	0.000	0.000	0.000	0.000	0.000	0.000
647	A	649	LYS	1	0.912	0.977	42.128	0.057	0.057	0.000	0.000	0.000	0.000
648	A	650	ASP	-1	-0.794	-0.913	46.832	-0.046	-0.046	0.000	0.000	0.000	0.000
649	A	651	ILE	0	-0.010	-0.011	45.702	0.001	0.001	0.000	0.000	0.000	0.000
650	A	652	SER	0	0.010	-0.011	49.333	0.000	0.000	0.000	0.000	0.000	0.000
651	A	653	VAL	0	-0.024	-0.001	48.951	0.000	0.000	0.000	0.000	0.000	0.000
652	A	654	ASP	-1	-0.772	-0.882	51.212	-0.032	-0.032	0.000	0.000	0.000	0.000
653	A	655	LEU	0	-0.054	-0.020	51.426	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	656	LYS	1	0.881	0.937	53.694	0.032	0.032	0.000	0.000	0.000	0.000
655	A	657	LYS	1	0.844	0.918	54.083	0.029	0.029	0.000	0.000	0.000	0.000
656	A	658	LEU	0	0.100	0.063	57.922	0.001	0.001	0.000	0.000	0.000	0.000
657	A	659	GLY	0	0.012	-0.017	56.970	-0.002	-0.002	0.000	0.000	0.000	0.000
658	A	660	LYS	1	0.939	0.969	51.254	0.035	0.035	0.000	0.000	0.000	0.000
659	A	661	TYR	0	0.051	0.030	48.506	0.000	0.000	0.000	0.000	0.000	0.000
660	A	662	SER	0	-0.029	-0.030	54.170	0.000	0.000	0.000	0.000	0.000	0.000
661	A	663	PHE	0	0.037	0.014	55.030	0.001	0.001	0.000	0.000	0.000	0.000
662	A	664	ASP	-1	-0.786	-0.892	53.850	-0.046	-0.046	0.000	0.000	0.000	0.000
663	A	665	ILE	0	-0.003	0.053	50.553	0.001	0.001	0.000	0.000	0.000	0.000
664	A	666	TYR	0	-0.036	-0.028	49.442	0.000	0.000	0.000	0.000	0.000	0.000
665	A	667	ASN	0	-0.144	-0.106	52.357	0.000	0.000	0.000	0.000	0.000	0.000
666	A	668	GLU	-1	-0.869	-0.974	55.644	-0.036	-0.036	0.000	0.000	0.000	0.000
667	A	669	LYS	1	0.900	0.949	56.302	0.041	0.041	0.000	0.000	0.000	0.000
668	A	670	ASN	0	0.028	0.029	58.326	-0.001	-0.001	0.000	0.000	0.000	0.000
669	A	679	VAL	0	0.006	0.014	53.209	0.000	0.000	0.000	0.000	0.000	0.000
670	A	680	LEU	0	-0.022	-0.043	52.788	0.000	0.000	0.000	0.000	0.000	0.000
671	A	681	LEU	0	-0.063	0.039	46.677	0.000	0.000	0.000	0.000	0.000	0.000
672	A	682	ARG	1	0.993	0.986	50.090	0.040	0.040	0.000	0.000	0.000	0.000
673	A	683	GLY	0	0.070	0.040	46.549	-0.002	-0.002	0.000	0.000	0.000	0.000
674	A	684	TYR	0	-0.029	-0.040	41.116	0.000	0.000	0.000	0.000	0.000	0.000
675	A	685	GLY	0	-0.058	-0.014	45.093	-0.001	-0.001	0.000	0.000	0.000	0.000
676	A	686	PHE	0	0.002	-0.011	45.359	-0.002	-0.002	0.000	0.000	0.000	0.000
677	A	687	LEU	0	-0.030	-0.010	47.140	0.003	0.003	0.000	0.000	0.000	0.000
678	A	688	ILE	0	0.030	0.017	46.816	-0.002	-0.002	0.000	0.000	0.000	0.000
679	A	689	LEU	0	-0.015	0.002	48.986	0.002	0.002	0.000	0.000	0.000	0.000
680	A	690	GLY	0	0.110	0.059	50.015	-0.002	-0.002	0.000	0.000	0.000	0.000
681	A	691	SER	0	-0.044	-0.037	52.316	0.001	0.001	0.000	0.000	0.000	0.000
682	A	692	LYS	1	0.920	0.957	55.033	0.038	0.038	0.000	0.000	0.000	0.000
683	A	693	PRO	0	0.021	0.024	55.049	-0.002	-0.002	0.000	0.000	0.000	0.000
684	A	695	ASN	0	0.004	0.004	53.714	0.001	0.001	0.000	0.000	0.000	0.000
685	A	696	ILE	0	-0.001	0.014	51.797	-0.002	-0.002	0.000	0.000	0.000	0.000

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