FMO DATABASE

FMODB ID: 72MLK

Calculation Name: 4P6Z-G-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4P6Z

Chain ID: G

ChEMBL ID:

UniProt ID: Q10567

Base Structure: X-ray

Registration Date: 2023-06-22

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	587
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-11328496.760689
FMO2-HF: Nuclear repulsion	11090088.570498
FMO2-HF: Total energy	-238408.190191
FMO2-MP2: Total energy	-239084.552381

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(G:2:PRO)

Summations of interaction energy for fragment #1(G:2:PRO)

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.
6.116	-2.799	0.501	9.149	-0.734	0.004

Interaction energy analysis for fragmet #1(G:2:PRO)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.023 / q_NPA : -0.003

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	G	4	PRO	0	0.003	0.023	2.586	7.022	-2.011	0.502	9.155	-0.623	0.004
4	G	5	ILE	0	0.033	0.030	6.186	-0.330	-0.330	0.000	0.000	0.000	0.000
5	G	6	ARG	1	0.976	0.974	8.782	-0.108	-0.108	0.000	0.000	0.000	0.000
6	G	7	LEU	0	0.073	0.037	11.562	-0.042	-0.042	0.000	0.000	0.000	0.000
7	G	8	ARG	1	0.974	0.971	14.920	-0.176	-0.176	0.000	0.000	0.000	0.000
8	G	9	GLU	-1	-0.780	-0.839	12.432	-0.004	-0.004	0.000	0.000	0.000	0.000
9	G	10	LEU	0	0.033	0.033	14.078	-0.030	-0.030	0.000	0.000	0.000	0.000
10	G	11	ILE	0	-0.013	-0.013	15.472	-0.030	-0.030	0.000	0.000	0.000	0.000
11	G	12	ARG	1	0.796	0.854	16.522	-0.038	-0.038	0.000	0.000	0.000	0.000
12	G	13	THR	0	-0.007	-0.018	15.475	-0.023	-0.023	0.000	0.000	0.000	0.000
13	G	14	ILE	0	0.031	0.022	17.925	-0.016	-0.016	0.000	0.000	0.000	0.000
14	G	15	ARG	1	0.921	0.969	20.379	-0.096	-0.096	0.000	0.000	0.000	0.000
15	G	16	THR	0	-0.048	-0.029	20.331	-0.020	-0.020	0.000	0.000	0.000	0.000
16	G	17	ALA	0	-0.029	-0.003	22.740	-0.015	-0.015	0.000	0.000	0.000	0.000
17	G	18	ARG	1	0.825	0.878	23.555	-0.017	-0.017	0.000	0.000	0.000	0.000
18	G	19	THR	0	0.018	0.013	26.826	0.000	0.000	0.000	0.000	0.000	0.000
19	G	20	GLN	0	0.070	0.027	26.620	0.000	0.000	0.000	0.000	0.000	0.000
20	G	21	ALA	0	0.003	0.018	26.509	0.014	0.014	0.000	0.000	0.000	0.000
21	G	22	GLU	-1	-0.710	-0.839	22.403	0.047	0.047	0.000	0.000	0.000	0.000
22	G	23	GLU	-1	-0.864	-0.910	21.869	0.145	0.145	0.000	0.000	0.000	0.000
23	G	24	ARG	1	0.940	0.960	21.694	-0.129	-0.129	0.000	0.000	0.000	0.000
24	G	25	GLU	-1	-0.950	-0.979	20.446	0.121	0.121	0.000	0.000	0.000	0.000
25	G	26	MET	0	-0.052	-0.020	17.473	0.043	0.043	0.000	0.000	0.000	0.000
26	G	27	ILE	0	0.006	-0.005	16.878	0.066	0.066	0.000	0.000	0.000	0.000
27	G	28	GLN	0	0.020	0.014	17.591	0.057	0.057	0.000	0.000	0.000	0.000
28	G	29	LYS	1	0.971	0.998	11.099	-0.209	-0.209	0.000	0.000	0.000	0.000
29	G	30	GLU	-1	-0.804	-0.903	10.364	1.025	1.025	0.000	0.000	0.000	0.000
30	G	31	CYS	0	-0.013	-0.012	13.134	0.130	0.130	0.000	0.000	0.000	0.000
31	G	32	ALA	0	-0.032	-0.007	14.192	0.035	0.035	0.000	0.000	0.000	0.000
32	G	33	ALA	0	0.020	0.025	9.125	0.077	0.077	0.000	0.000	0.000	0.000
33	G	34	ILE	0	-0.054	-0.023	10.558	0.235	0.235	0.000	0.000	0.000	0.000
34	G	35	ARG	1	0.920	0.964	12.277	-0.421	-0.421	0.000	0.000	0.000	0.000
35	G	36	SER	0	-0.026	-0.013	10.634	-0.104	-0.104	0.000	0.000	0.000	0.000
36	G	37	SER	0	-0.003	0.001	8.764	-0.045	-0.045	0.000	0.000	0.000	0.000
37	G	38	PHE	0	-0.017	-0.035	10.427	-0.093	-0.093	0.000	0.000	0.000	0.000
38	G	39	ARG	1	0.919	0.972	13.888	-0.551	-0.551	0.000	0.000	0.000	0.000
39	G	40	GLU	-1	-0.917	-0.963	7.970	2.065	2.065	0.000	0.000	0.000	0.000
40	G	41	GLU	-1	-0.821	-0.879	11.664	0.497	0.497	0.000	0.000	0.000	0.000
41	G	42	ASP	-1	-0.739	-0.847	8.263	1.522	1.522	0.000	0.000	0.000	0.000
42	G	43	ASN	0	0.019	0.006	10.829	-0.024	-0.024	0.000	0.000	0.000	0.000
43	G	44	THR	0	-0.078	-0.047	8.256	-0.210	-0.210	0.000	0.000	0.000	0.000
44	G	45	TYR	0	-0.068	-0.061	4.455	-0.475	-0.357	-0.001	-0.006	-0.111	0.000
45	G	46	ARG	1	0.852	0.917	9.601	-0.690	-0.690	0.000	0.000	0.000	0.000
46	G	47	CYS	0	0.012	0.018	12.721	-0.090	-0.090	0.000	0.000	0.000	0.000
47	G	48	ARG	1	0.879	0.933	6.773	-1.198	-1.198	0.000	0.000	0.000	0.000
48	G	49	ASN	0	0.038	0.004	8.764	-0.109	-0.109	0.000	0.000	0.000	0.000
49	G	50	VAL	0	0.077	0.041	12.661	-0.067	-0.067	0.000	0.000	0.000	0.000
50	G	51	ALA	0	-0.014	-0.006	15.688	-0.054	-0.054	0.000	0.000	0.000	0.000
51	G	52	LYS	1	0.733	0.859	9.821	-1.056	-1.056	0.000	0.000	0.000	0.000
52	G	53	LEU	0	0.011	0.012	15.971	-0.045	-0.045	0.000	0.000	0.000	0.000
53	G	54	LEU	0	0.013	0.017	17.971	-0.040	-0.040	0.000	0.000	0.000	0.000
54	G	55	TYR	0	-0.001	0.000	18.646	-0.038	-0.038	0.000	0.000	0.000	0.000
55	G	56	MET	0	-0.023	-0.009	15.927	-0.029	-0.029	0.000	0.000	0.000	0.000
56	G	57	HIS	0	0.015	0.013	21.110	-0.013	-0.013	0.000	0.000	0.000	0.000
57	G	58	MET	0	-0.024	-0.007	23.785	-0.023	-0.023	0.000	0.000	0.000	0.000
58	G	59	LEU	0	-0.053	-0.025	22.067	-0.016	-0.016	0.000	0.000	0.000	0.000
59	G	60	GLY	0	0.021	0.024	25.763	-0.012	-0.012	0.000	0.000	0.000	0.000
60	G	61	TYR	0	-0.085	-0.070	22.922	0.003	0.003	0.000	0.000	0.000	0.000
61	G	62	PRO	0	-0.030	-0.020	23.416	0.009	0.009	0.000	0.000	0.000	0.000
62	G	63	ALA	0	0.072	0.012	21.502	0.027	0.027	0.000	0.000	0.000	0.000
63	G	64	HIS	0	0.060	0.038	22.461	0.022	0.022	0.000	0.000	0.000	0.000
64	G	65	PHE	0	-0.006	-0.016	17.791	0.005	0.005	0.000	0.000	0.000	0.000
65	G	66	GLY	0	0.037	0.010	19.433	0.048	0.048	0.000	0.000	0.000	0.000
66	G	67	GLN	0	-0.033	-0.023	20.272	0.004	0.004	0.000	0.000	0.000	0.000
67	G	68	LEU	0	0.060	0.020	21.073	-0.002	-0.002	0.000	0.000	0.000	0.000
68	G	69	GLU	-1	-0.779	-0.877	16.301	0.585	0.585	0.000	0.000	0.000	0.000
69	G	70	CYS	0	-0.050	-0.018	19.527	0.017	0.017	0.000	0.000	0.000	0.000
70	G	71	LEU	0	0.045	0.015	21.657	-0.009	-0.009	0.000	0.000	0.000	0.000
71	G	72	LYS	1	0.765	0.874	17.434	-0.512	-0.512	0.000	0.000	0.000	0.000
72	G	73	LEU	0	-0.073	-0.031	15.908	0.001	0.001	0.000	0.000	0.000	0.000
73	G	74	ILE	0	-0.028	-0.014	19.859	-0.016	-0.016	0.000	0.000	0.000	0.000
74	G	75	ALA	0	0.031	0.015	22.985	-0.019	-0.019	0.000	0.000	0.000	0.000
75	G	76	SER	0	-0.067	-0.040	18.530	-0.019	-0.019	0.000	0.000	0.000	0.000
76	G	77	GLN	0	0.043	0.007	21.158	-0.025	-0.025	0.000	0.000	0.000	0.000
77	G	78	LYS	1	0.791	0.898	14.517	-0.519	-0.519	0.000	0.000	0.000	0.000
78	G	79	PHE	0	0.048	0.013	20.769	0.007	0.007	0.000	0.000	0.000	0.000
79	G	80	THR	0	-0.015	-0.022	17.160	-0.013	-0.013	0.000	0.000	0.000	0.000
80	G	81	ASP	-1	-0.764	-0.845	16.573	0.473	0.473	0.000	0.000	0.000	0.000
81	G	82	LYS	1	0.889	0.935	18.976	-0.218	-0.218	0.000	0.000	0.000	0.000
82	G	83	ARG	1	0.905	0.960	22.018	-0.193	-0.193	0.000	0.000	0.000	0.000
83	G	84	ILE	0	-0.025	-0.018	17.635	-0.014	-0.014	0.000	0.000	0.000	0.000
84	G	85	GLY	0	0.058	0.023	20.793	0.002	0.002	0.000	0.000	0.000	0.000
85	G	86	TYR	0	-0.021	-0.057	21.950	-0.010	-0.010	0.000	0.000	0.000	0.000
86	G	87	LEU	0	-0.047	-0.013	22.502	-0.013	-0.013	0.000	0.000	0.000	0.000
87	G	88	GLY	0	0.051	0.003	22.696	-0.007	-0.007	0.000	0.000	0.000	0.000
88	G	89	ALA	0	0.008	-0.011	23.618	-0.009	-0.009	0.000	0.000	0.000	0.000
89	G	90	MET	0	-0.072	-0.032	26.633	-0.016	-0.016	0.000	0.000	0.000	0.000
90	G	91	LEU	0	-0.023	0.002	24.743	-0.010	-0.010	0.000	0.000	0.000	0.000
91	G	92	LEU	0	-0.014	-0.007	21.945	0.000	0.000	0.000	0.000	0.000	0.000
92	G	93	LEU	0	-0.050	-0.006	26.311	0.000	0.000	0.000	0.000	0.000	0.000
93	G	94	ASP	-1	-0.744	-0.865	28.888	0.156	0.156	0.000	0.000	0.000	0.000
94	G	95	GLU	-1	-0.810	-0.908	32.609	0.115	0.115	0.000	0.000	0.000	0.000
95	G	96	ARG	1	0.834	0.901	31.896	-0.156	-0.156	0.000	0.000	0.000	0.000
96	G	97	GLN	0	-0.058	-0.035	28.355	0.011	0.011	0.000	0.000	0.000	0.000
97	G	98	ASP	-1	-0.872	-0.919	32.013	0.136	0.136	0.000	0.000	0.000	0.000
98	G	99	VAL	0	-0.006	0.002	28.085	0.002	0.002	0.000	0.000	0.000	0.000
99	G	100	HIS	0	0.066	0.038	31.255	0.012	0.012	0.000	0.000	0.000	0.000
100	G	101	LEU	0	0.067	0.027	33.634	0.003	0.003	0.000	0.000	0.000	0.000
101	G	102	LEU	0	0.010	0.005	27.060	0.001	0.001	0.000	0.000	0.000	0.000
102	G	103	MET	0	0.029	0.015	28.695	0.011	0.011	0.000	0.000	0.000	0.000
103	G	104	THR	0	-0.013	-0.014	30.743	-0.002	-0.002	0.000	0.000	0.000	0.000
104	G	105	ASN	0	0.012	0.009	30.422	-0.011	-0.011	0.000	0.000	0.000	0.000
105	G	106	CYS	0	-0.055	-0.027	27.738	0.002	0.002	0.000	0.000	0.000	0.000
106	G	107	ILE	0	0.037	0.015	29.852	-0.004	-0.004	0.000	0.000	0.000	0.000
107	G	108	LYS	1	0.852	0.924	32.207	-0.113	-0.113	0.000	0.000	0.000	0.000
108	G	109	ASN	0	-0.013	0.004	30.720	-0.013	-0.013	0.000	0.000	0.000	0.000
109	G	110	ASP	-1	-0.785	-0.870	27.956	0.184	0.184	0.000	0.000	0.000	0.000
110	G	111	LEU	0	-0.029	-0.027	31.204	-0.005	-0.005	0.000	0.000	0.000	0.000
111	G	112	ASN	0	-0.063	-0.035	34.290	-0.014	-0.014	0.000	0.000	0.000	0.000
112	G	113	HIS	0	0.025	0.028	27.139	-0.010	-0.010	0.000	0.000	0.000	0.000
113	G	114	SER	0	0.005	0.005	32.154	-0.007	-0.007	0.000	0.000	0.000	0.000
114	G	115	THR	0	-0.012	-0.004	28.688	-0.005	-0.005	0.000	0.000	0.000	0.000
115	G	116	GLN	0	0.081	0.036	31.719	0.003	0.003	0.000	0.000	0.000	0.000
116	G	117	PHE	0	-0.013	-0.023	29.129	0.000	0.000	0.000	0.000	0.000	0.000
117	G	118	VAL	0	-0.011	0.011	26.813	0.008	0.008	0.000	0.000	0.000	0.000
118	G	119	GLN	0	0.049	0.023	29.403	0.002	0.002	0.000	0.000	0.000	0.000
119	G	120	GLY	0	-0.021	-0.019	32.707	-0.002	-0.002	0.000	0.000	0.000	0.000
120	G	121	LEU	0	-0.038	-0.004	25.961	-0.001	-0.001	0.000	0.000	0.000	0.000
121	G	122	ALA	0	0.052	0.041	30.099	0.002	0.002	0.000	0.000	0.000	0.000
122	G	123	LEU	0	0.033	0.000	31.803	-0.002	-0.002	0.000	0.000	0.000	0.000
123	G	124	CYS	0	-0.080	-0.029	31.619	-0.005	-0.005	0.000	0.000	0.000	0.000
124	G	125	THR	0	0.059	0.005	29.825	0.003	0.003	0.000	0.000	0.000	0.000
125	G	126	LEU	0	-0.005	-0.007	32.012	-0.002	-0.002	0.000	0.000	0.000	0.000
126	G	127	GLY	0	0.020	-0.011	35.236	-0.004	-0.004	0.000	0.000	0.000	0.000
127	G	128	CYS	0	-0.100	-0.035	33.586	-0.006	-0.006	0.000	0.000	0.000	0.000
128	G	129	MET	0	-0.037	-0.015	30.632	-0.001	-0.001	0.000	0.000	0.000	0.000
129	G	130	GLY	0	0.033	0.028	34.567	0.003	0.003	0.000	0.000	0.000	0.000
130	G	131	SER	0	0.073	0.009	36.212	-0.007	-0.007	0.000	0.000	0.000	0.000
131	G	132	SER	0	0.055	0.024	37.998	-0.001	-0.001	0.000	0.000	0.000	0.000
132	G	133	GLU	-1	-0.888	-0.938	40.067	0.098	0.098	0.000	0.000	0.000	0.000
133	G	134	MET	0	-0.023	0.013	33.142	0.000	0.000	0.000	0.000	0.000	0.000
134	G	135	CYS	0	-0.080	-0.035	38.525	-0.002	-0.002	0.000	0.000	0.000	0.000
135	G	136	ARG	1	0.835	0.876	41.024	-0.079	-0.079	0.000	0.000	0.000	0.000
136	G	137	ASP	-1	-0.858	-0.920	39.308	0.101	0.101	0.000	0.000	0.000	0.000
137	G	138	LEU	0	-0.020	-0.020	36.381	0.001	0.001	0.000	0.000	0.000	0.000
138	G	139	ALA	0	0.015	0.025	40.280	-0.002	-0.002	0.000	0.000	0.000	0.000
139	G	140	GLY	0	0.051	0.011	43.675	-0.003	-0.003	0.000	0.000	0.000	0.000
140	G	141	GLU	-1	-0.799	-0.876	38.910	0.092	0.092	0.000	0.000	0.000	0.000
141	G	142	VAL	0	-0.008	-0.013	40.000	0.000	0.000	0.000	0.000	0.000	0.000
142	G	143	GLU	-1	-0.905	-0.953	42.035	0.062	0.062	0.000	0.000	0.000	0.000
143	G	144	LYS	1	0.865	0.913	39.886	-0.091	-0.091	0.000	0.000	0.000	0.000
144	G	145	LEU	0	-0.064	-0.041	38.151	-0.002	-0.002	0.000	0.000	0.000	0.000
145	G	146	LEU	0	-0.023	-0.009	42.053	-0.001	-0.001	0.000	0.000	0.000	0.000
146	G	147	LYS	1	0.868	0.938	44.989	-0.059	-0.059	0.000	0.000	0.000	0.000
147	G	148	THR	0	-0.011	0.015	41.705	-0.003	-0.003	0.000	0.000	0.000	0.000
148	G	149	SER	0	0.047	0.015	44.728	-0.001	-0.001	0.000	0.000	0.000	0.000
149	G	150	ASN	0	0.011	0.000	38.282	0.000	0.000	0.000	0.000	0.000	0.000
150	G	151	SER	0	0.088	0.023	41.770	0.003	0.003	0.000	0.000	0.000	0.000
151	G	152	TYR	0	-0.070	-0.033	32.356	0.004	0.004	0.000	0.000	0.000	0.000
152	G	153	LEU	0	0.012	0.006	35.723	0.004	0.004	0.000	0.000	0.000	0.000
153	G	154	ARG	1	0.912	0.968	38.914	-0.059	-0.059	0.000	0.000	0.000	0.000
154	G	155	LYS	1	0.951	0.986	38.322	-0.080	-0.080	0.000	0.000	0.000	0.000
155	G	156	LYS	1	0.836	0.920	32.939	-0.116	-0.116	0.000	0.000	0.000	0.000
156	G	157	ALA	0	0.026	0.023	39.268	0.002	0.002	0.000	0.000	0.000	0.000
157	G	158	ALA	0	0.019	0.018	41.336	0.000	0.000	0.000	0.000	0.000	0.000
158	G	159	LEU	0	0.009	-0.011	40.149	-0.001	-0.001	0.000	0.000	0.000	0.000
159	G	160	CYS	0	-0.013	0.002	39.059	0.003	0.003	0.000	0.000	0.000	0.000
160	G	161	ALA	0	0.019	0.009	40.725	0.001	0.001	0.000	0.000	0.000	0.000
161	G	162	VAL	0	-0.027	-0.009	44.085	-0.002	-0.002	0.000	0.000	0.000	0.000
162	G	163	HIS	0	-0.039	-0.008	38.530	-0.005	-0.005	0.000	0.000	0.000	0.000
163	G	164	VAL	0	0.016	0.009	42.450	0.000	0.000	0.000	0.000	0.000	0.000
164	G	165	ILE	0	-0.023	-0.001	43.817	-0.002	-0.002	0.000	0.000	0.000	0.000
165	G	166	ARG	1	0.792	0.877	42.458	-0.081	-0.081	0.000	0.000	0.000	0.000
166	G	167	LYS	1	0.774	0.877	38.916	-0.108	-0.108	0.000	0.000	0.000	0.000
167	G	168	VAL	0	-0.020	-0.013	44.529	0.000	0.000	0.000	0.000	0.000	0.000
168	G	169	PRO	0	0.014	0.010	47.403	-0.001	-0.001	0.000	0.000	0.000	0.000
169	G	170	GLU	-1	-0.780	-0.854	50.206	0.066	0.066	0.000	0.000	0.000	0.000
170	G	171	LEU	0	0.035	0.012	46.356	-0.001	-0.001	0.000	0.000	0.000	0.000
171	G	172	MET	0	-0.055	-0.014	50.153	0.000	0.000	0.000	0.000	0.000	0.000
172	G	173	GLU	-1	-0.915	-0.957	51.436	0.052	0.052	0.000	0.000	0.000	0.000
173	G	174	MET	0	-0.014	-0.001	47.256	-0.001	-0.001	0.000	0.000	0.000	0.000
174	G	175	PHE	0	0.038	0.003	45.273	0.001	0.001	0.000	0.000	0.000	0.000
175	G	176	LEU	0	0.011	0.023	50.442	-0.001	-0.001	0.000	0.000	0.000	0.000
176	G	177	PRO	0	0.003	-0.014	52.996	-0.002	-0.002	0.000	0.000	0.000	0.000
177	G	178	ALA	0	-0.039	-0.012	49.218	-0.001	-0.001	0.000	0.000	0.000	0.000
178	G	179	THR	0	-0.049	-0.034	51.012	-0.001	-0.001	0.000	0.000	0.000	0.000
179	G	180	LYS	1	0.922	0.969	52.748	-0.046	-0.046	0.000	0.000	0.000	0.000
180	G	181	ASN	0	-0.027	-0.022	54.880	0.001	0.001	0.000	0.000	0.000	0.000
181	G	182	LEU	0	0.030	0.027	49.971	0.000	0.000	0.000	0.000	0.000	0.000
182	G	183	LEU	0	0.022	0.008	52.785	0.001	0.001	0.000	0.000	0.000	0.000
183	G	184	ASN	0	0.028	0.013	55.096	0.000	0.000	0.000	0.000	0.000	0.000
184	G	185	GLU	-1	-0.825	-0.892	48.410	0.052	0.052	0.000	0.000	0.000	0.000
185	G	186	LYS	1	0.897	0.927	50.950	-0.043	-0.043	0.000	0.000	0.000	0.000
186	G	187	ASN	0	-0.020	-0.005	43.703	0.001	0.001	0.000	0.000	0.000	0.000
187	G	188	HIS	0	0.023	-0.008	47.135	0.001	0.001	0.000	0.000	0.000	0.000
188	G	189	GLY	0	0.000	0.015	43.747	0.001	0.001	0.000	0.000	0.000	0.000
189	G	190	VAL	0	-0.006	0.004	44.353	0.003	0.003	0.000	0.000	0.000	0.000
190	G	191	LEU	0	0.014	0.035	46.102	0.000	0.000	0.000	0.000	0.000	0.000
191	G	192	HIS	0	0.009	0.013	46.041	0.001	0.001	0.000	0.000	0.000	0.000
192	G	193	THR	0	-0.005	-0.027	42.558	0.000	0.000	0.000	0.000	0.000	0.000
193	G	194	SER	0	-0.020	-0.023	45.938	0.000	0.000	0.000	0.000	0.000	0.000
194	G	195	VAL	0	0.046	0.025	48.863	-0.001	-0.001	0.000	0.000	0.000	0.000
195	G	196	VAL	0	-0.064	-0.016	45.763	-0.001	-0.001	0.000	0.000	0.000	0.000
196	G	197	LEU	0	0.008	0.001	47.175	0.000	0.000	0.000	0.000	0.000	0.000
197	G	198	LEU	0	0.015	0.010	49.086	-0.001	-0.001	0.000	0.000	0.000	0.000
198	G	199	THR	0	-0.017	-0.034	51.392	-0.002	-0.002	0.000	0.000	0.000	0.000
199	G	200	GLU	-1	-0.776	-0.869	47.425	0.067	0.067	0.000	0.000	0.000	0.000
200	G	201	MET	0	-0.034	-0.016	50.819	-0.001	-0.001	0.000	0.000	0.000	0.000
201	G	202	CYS	0	-0.055	-0.022	53.583	-0.002	-0.002	0.000	0.000	0.000	0.000
202	G	203	GLU	-1	-0.837	-0.906	53.547	0.052	0.052	0.000	0.000	0.000	0.000
203	G	204	ARG	1	0.800	0.908	48.212	-0.064	-0.064	0.000	0.000	0.000	0.000
204	G	205	SER	0	0.078	0.029	55.305	0.000	0.000	0.000	0.000	0.000	0.000
205	G	206	PRO	0	0.049	0.020	58.498	0.000	0.000	0.000	0.000	0.000	0.000
206	G	207	ASP	-1	-0.833	-0.916	60.811	0.042	0.042	0.000	0.000	0.000	0.000
207	G	208	MET	0	-0.014	-0.009	56.127	-0.001	-0.001	0.000	0.000	0.000	0.000
208	G	209	LEU	0	0.008	0.014	59.289	-0.001	-0.001	0.000	0.000	0.000	0.000
209	G	210	ALA	0	-0.003	0.013	61.125	-0.001	-0.001	0.000	0.000	0.000	0.000
210	G	211	HIS	0	-0.039	-0.035	60.150	-0.001	-0.001	0.000	0.000	0.000	0.000
211	G	212	PHE	0	0.010	-0.021	55.481	-0.001	-0.001	0.000	0.000	0.000	0.000
212	G	213	ARG	1	0.861	0.914	60.318	-0.037	-0.037	0.000	0.000	0.000	0.000
213	G	214	LYS	1	0.944	0.971	63.182	-0.037	-0.037	0.000	0.000	0.000	0.000
214	G	215	LEU	0	-0.034	-0.011	57.802	-0.001	-0.001	0.000	0.000	0.000	0.000
215	G	216	VAL	0	0.052	0.033	61.265	0.001	0.001	0.000	0.000	0.000	0.000
216	G	217	PRO	0	0.066	0.023	62.497	0.000	0.000	0.000	0.000	0.000	0.000
217	G	218	GLN	0	-0.068	-0.033	58.931	-0.001	-0.001	0.000	0.000	0.000	0.000
218	G	219	LEU	0	0.021	-0.002	57.317	0.000	0.000	0.000	0.000	0.000	0.000
219	G	220	VAL	0	0.047	0.034	59.162	0.000	0.000	0.000	0.000	0.000	0.000
220	G	221	ARG	1	0.949	0.971	62.102	-0.030	-0.030	0.000	0.000	0.000	0.000
221	G	222	ILE	0	-0.021	-0.006	55.212	0.000	0.000	0.000	0.000	0.000	0.000
222	G	223	LEU	0	0.022	0.013	57.130	0.000	0.000	0.000	0.000	0.000	0.000
223	G	224	LYS	1	0.828	0.897	58.809	-0.028	-0.028	0.000	0.000	0.000	0.000
224	G	225	ASN	0	-0.059	-0.034	57.963	0.000	0.000	0.000	0.000	0.000	0.000
225	G	226	LEU	0	-0.019	-0.017	53.416	0.000	0.000	0.000	0.000	0.000	0.000
226	G	227	ILE	0	-0.031	-0.016	57.029	0.000	0.000	0.000	0.000	0.000	0.000
227	G	228	MET	0	-0.045	-0.015	59.692	-0.001	-0.001	0.000	0.000	0.000	0.000
228	G	229	SER	0	-0.031	-0.005	55.767	-0.001	-0.001	0.000	0.000	0.000	0.000
229	G	230	GLY	0	0.004	0.011	57.984	-0.001	-0.001	0.000	0.000	0.000	0.000
230	G	231	TYR	0	0.001	-0.004	49.374	0.001	0.001	0.000	0.000	0.000	0.000
231	G	232	SER	0	0.024	-0.001	49.872	-0.001	-0.001	0.000	0.000	0.000	0.000
232	G	233	PRO	0	-0.024	-0.022	47.864	0.001	0.001	0.000	0.000	0.000	0.000
233	G	234	GLU	-1	-0.872	-0.911	44.222	0.053	0.053	0.000	0.000	0.000	0.000
234	G	235	HIS	1	0.792	0.866	45.542	-0.052	-0.052	0.000	0.000	0.000	0.000
235	G	236	ASP	-1	-0.724	-0.844	47.619	0.036	0.036	0.000	0.000	0.000	0.000
236	G	237	VAL	0	-0.030	-0.010	46.260	0.001	0.001	0.000	0.000	0.000	0.000
237	G	238	SER	0	-0.089	-0.066	49.013	-0.001	-0.001	0.000	0.000	0.000	0.000
238	G	239	GLY	0	0.012	0.034	52.105	-0.002	-0.002	0.000	0.000	0.000	0.000
239	G	240	ILE	0	-0.006	-0.004	53.331	0.000	0.000	0.000	0.000	0.000	0.000
240	G	241	SER	0	0.019	-0.004	51.799	0.002	0.002	0.000	0.000	0.000	0.000
241	G	242	ASP	-1	-0.802	-0.899	48.253	0.051	0.051	0.000	0.000	0.000	0.000
242	G	243	PRO	0	0.054	0.031	49.091	0.000	0.000	0.000	0.000	0.000	0.000
243	G	244	PHE	0	-0.003	-0.005	45.251	0.000	0.000	0.000	0.000	0.000	0.000
244	G	245	LEU	0	-0.017	-0.008	48.837	0.001	0.001	0.000	0.000	0.000	0.000
245	G	246	GLN	0	-0.002	-0.003	50.666	-0.001	-0.001	0.000	0.000	0.000	0.000
246	G	247	VAL	0	0.038	0.022	51.528	-0.001	-0.001	0.000	0.000	0.000	0.000
247	G	248	ARG	1	0.881	0.943	47.793	-0.059	-0.059	0.000	0.000	0.000	0.000
248	G	249	ILE	0	-0.002	-0.005	52.070	0.000	0.000	0.000	0.000	0.000	0.000
249	G	250	LEU	0	0.009	0.011	55.233	-0.001	-0.001	0.000	0.000	0.000	0.000
250	G	251	ARG	1	0.846	0.899	51.266	-0.054	-0.054	0.000	0.000	0.000	0.000
251	G	252	LEU	0	-0.034	-0.019	54.358	0.000	0.000	0.000	0.000	0.000	0.000
252	G	253	LEU	0	0.010	-0.013	56.465	-0.001	-0.001	0.000	0.000	0.000	0.000
253	G	254	ARG	1	0.806	0.887	56.262	-0.044	-0.044	0.000	0.000	0.000	0.000
254	G	255	ILE	0	-0.021	-0.018	55.806	-0.001	-0.001	0.000	0.000	0.000	0.000
255	G	256	LEU	0	-0.059	-0.039	58.765	-0.001	-0.001	0.000	0.000	0.000	0.000
256	G	257	GLY	0	0.061	0.035	61.783	-0.001	-0.001	0.000	0.000	0.000	0.000
257	G	258	ARG	1	0.794	0.879	62.042	-0.038	-0.038	0.000	0.000	0.000	0.000
258	G	259	ASN	0	-0.026	-0.012	64.677	0.000	0.000	0.000	0.000	0.000	0.000
259	G	260	ASP	-1	-0.761	-0.833	67.514	0.032	0.032	0.000	0.000	0.000	0.000
260	G	261	ASP	-1	-0.783	-0.871	69.398	0.028	0.028	0.000	0.000	0.000	0.000
261	G	262	ASP	-1	-0.910	-0.932	70.931	0.028	0.028	0.000	0.000	0.000	0.000
262	G	263	SER	0	-0.011	-0.038	65.678	0.000	0.000	0.000	0.000	0.000	0.000
263	G	264	SER	0	-0.008	-0.026	67.001	0.001	0.001	0.000	0.000	0.000	0.000
264	G	265	GLU	-1	-0.909	-0.936	68.204	0.026	0.026	0.000	0.000	0.000	0.000
265	G	266	ALA	0	-0.032	-0.017	67.750	0.000	0.000	0.000	0.000	0.000	0.000
266	G	267	MET	0	-0.067	-0.023	63.547	0.000	0.000	0.000	0.000	0.000	0.000
267	G	268	ASN	0	0.042	-0.005	66.119	0.000	0.000	0.000	0.000	0.000	0.000
268	G	269	ASP	-1	-0.784	-0.858	68.104	0.027	0.027	0.000	0.000	0.000	0.000
269	G	270	ILE	0	-0.037	-0.023	62.324	0.000	0.000	0.000	0.000	0.000	0.000
270	G	271	LEU	0	-0.027	-0.005	62.367	0.001	0.001	0.000	0.000	0.000	0.000
271	G	272	ALA	0	0.044	0.017	65.080	0.000	0.000	0.000	0.000	0.000	0.000
272	G	273	GLN	0	0.010	0.018	65.498	0.000	0.000	0.000	0.000	0.000	0.000
273	G	274	VAL	0	0.007	-0.008	59.913	0.000	0.000	0.000	0.000	0.000	0.000
274	G	275	ALA	0	-0.026	-0.024	63.016	0.000	0.000	0.000	0.000	0.000	0.000
275	G	276	THR	0	-0.098	-0.061	64.832	-0.001	-0.001	0.000	0.000	0.000	0.000
276	G	277	ASN	0	-0.047	-0.016	63.204	-0.001	-0.001	0.000	0.000	0.000	0.000
277	G	278	THR	0	-0.043	-0.005	58.690	0.000	0.000	0.000	0.000	0.000	0.000
278	G	279	GLU	-1	-0.815	-0.875	58.644	0.026	0.026	0.000	0.000	0.000	0.000
279	G	280	THR	0	-0.029	-0.028	58.462	0.001	0.001	0.000	0.000	0.000	0.000
280	G	281	SER	0	-0.053	-0.043	58.269	0.001	0.001	0.000	0.000	0.000	0.000
281	G	282	LYS	1	0.926	0.958	51.907	-0.031	-0.031	0.000	0.000	0.000	0.000
282	G	283	ASN	0	0.035	0.008	49.548	-0.001	-0.001	0.000	0.000	0.000	0.000
283	G	284	VAL	0	0.011	0.008	50.030	0.001	0.001	0.000	0.000	0.000	0.000
284	G	285	GLY	0	0.072	0.045	52.633	0.001	0.001	0.000	0.000	0.000	0.000
285	G	286	ASN	0	-0.005	-0.035	56.036	-0.001	-0.001	0.000	0.000	0.000	0.000
286	G	287	ALA	0	-0.022	-0.001	52.298	0.000	0.000	0.000	0.000	0.000	0.000
287	G	288	ILE	0	-0.014	-0.002	53.864	0.001	0.001	0.000	0.000	0.000	0.000
288	G	289	LEU	0	0.027	0.032	56.286	0.000	0.000	0.000	0.000	0.000	0.000
289	G	290	TYR	0	0.046	0.030	53.539	0.000	0.000	0.000	0.000	0.000	0.000
290	G	291	GLU	-1	-0.832	-0.919	55.110	0.045	0.045	0.000	0.000	0.000	0.000
291	G	292	THR	0	-0.014	0.000	57.369	0.000	0.000	0.000	0.000	0.000	0.000
292	G	293	VAL	0	0.006	-0.001	60.518	-0.001	-0.001	0.000	0.000	0.000	0.000
293	G	294	LEU	0	-0.044	-0.020	57.045	0.000	0.000	0.000	0.000	0.000	0.000
294	G	295	THR	0	-0.041	-0.049	59.724	0.000	0.000	0.000	0.000	0.000	0.000
295	G	296	ILE	0	-0.005	-0.005	61.965	0.000	0.000	0.000	0.000	0.000	0.000
296	G	297	MET	0	-0.017	0.016	64.748	-0.001	-0.001	0.000	0.000	0.000	0.000
297	G	298	ASP	-1	-0.800	-0.865	61.225	0.039	0.039	0.000	0.000	0.000	0.000
298	G	299	ILE	0	-0.046	0.000	63.848	0.000	0.000	0.000	0.000	0.000	0.000
299	G	300	LYS	1	0.793	0.897	66.196	-0.029	-0.029	0.000	0.000	0.000	0.000
300	G	301	SER	0	-0.012	-0.024	68.689	0.000	0.000	0.000	0.000	0.000	0.000
301	G	302	GLU	-1	-0.760	-0.865	71.043	0.023	0.023	0.000	0.000	0.000	0.000
302	G	303	SER	0	0.024	-0.004	72.841	0.001	0.001	0.000	0.000	0.000	0.000
303	G	304	GLY	0	-0.003	0.000	74.528	0.000	0.000	0.000	0.000	0.000	0.000
304	G	305	LEU	0	-0.009	0.001	67.871	0.000	0.000	0.000	0.000	0.000	0.000
305	G	306	ARG	1	0.764	0.832	68.712	-0.029	-0.029	0.000	0.000	0.000	0.000
306	G	307	VAL	0	-0.056	-0.030	70.458	0.000	0.000	0.000	0.000	0.000	0.000
307	G	308	LEU	0	0.004	0.009	68.741	0.000	0.000	0.000	0.000	0.000	0.000
308	G	309	ALA	0	0.036	0.011	66.095	0.000	0.000	0.000	0.000	0.000	0.000
309	G	310	ILE	0	0.020	0.003	66.621	0.001	0.001	0.000	0.000	0.000	0.000
310	G	311	ASN	0	-0.003	-0.011	68.741	0.000	0.000	0.000	0.000	0.000	0.000
311	G	312	ILE	0	-0.063	-0.020	63.549	0.000	0.000	0.000	0.000	0.000	0.000
312	G	313	LEU	0	0.007	0.002	62.297	0.000	0.000	0.000	0.000	0.000	0.000
313	G	314	GLY	0	0.046	0.029	65.198	0.000	0.000	0.000	0.000	0.000	0.000
314	G	315	ARG	1	0.917	0.947	65.741	-0.025	-0.025	0.000	0.000	0.000	0.000
315	G	316	PHE	0	-0.041	-0.023	59.894	0.000	0.000	0.000	0.000	0.000	0.000
316	G	317	LEU	0	0.014	-0.002	62.376	0.000	0.000	0.000	0.000	0.000	0.000
317	G	318	LEU	0	0.001	-0.004	64.287	0.000	0.000	0.000	0.000	0.000	0.000
318	G	319	ASN	0	-0.011	0.017	60.447	-0.001	-0.001	0.000	0.000	0.000	0.000
319	G	320	ASN	0	0.044	0.014	61.061	0.000	0.000	0.000	0.000	0.000	0.000
320	G	321	ASP	-1	-0.800	-0.892	55.070	0.035	0.035	0.000	0.000	0.000	0.000
321	G	322	LYS	1	0.899	0.938	54.529	-0.033	-0.033	0.000	0.000	0.000	0.000
322	G	323	ASN	0	-0.050	-0.033	51.350	0.003	0.003	0.000	0.000	0.000	0.000
323	G	324	ILE	0	-0.022	-0.005	54.486	0.001	0.001	0.000	0.000	0.000	0.000
324	G	325	ARG	1	0.825	0.901	57.628	-0.029	-0.029	0.000	0.000	0.000	0.000
325	G	326	TYR	0	0.005	-0.002	52.356	0.000	0.000	0.000	0.000	0.000	0.000
326	G	327	VAL	0	-0.007	-0.001	54.804	0.001	0.001	0.000	0.000	0.000	0.000
327	G	328	ALA	0	0.012	0.027	57.180	0.000	0.000	0.000	0.000	0.000	0.000
328	G	329	LEU	0	0.036	0.015	60.267	0.000	0.000	0.000	0.000	0.000	0.000
329	G	330	THR	0	-0.030	-0.019	55.246	0.001	0.001	0.000	0.000	0.000	0.000
330	G	331	SER	0	-0.073	-0.061	58.614	0.001	0.001	0.000	0.000	0.000	0.000
331	G	332	LEU	0	0.000	-0.001	60.535	0.000	0.000	0.000	0.000	0.000	0.000
332	G	333	LEU	0	0.010	0.002	59.248	0.000	0.000	0.000	0.000	0.000	0.000
333	G	334	LYS	1	0.856	0.946	55.048	-0.043	-0.043	0.000	0.000	0.000	0.000
334	G	335	THR	0	-0.045	-0.017	61.692	0.000	0.000	0.000	0.000	0.000	0.000
335	G	336	VAL	0	0.034	0.020	65.393	-0.001	-0.001	0.000	0.000	0.000	0.000
336	G	337	GLN	0	-0.021	-0.017	63.173	-0.001	-0.001	0.000	0.000	0.000	0.000
337	G	338	THR	0	0.024	0.010	66.633	0.000	0.000	0.000	0.000	0.000	0.000
338	G	339	ASP	-1	-0.787	-0.874	69.075	0.028	0.028	0.000	0.000	0.000	0.000
339	G	340	HIS	0	0.016	0.040	70.470	-0.001	-0.001	0.000	0.000	0.000	0.000
340	G	341	ASN	0	-0.011	-0.023	71.753	0.000	0.000	0.000	0.000	0.000	0.000
341	G	342	ALA	0	0.002	0.001	71.263	-0.001	-0.001	0.000	0.000	0.000	0.000
342	G	343	VAL	0	0.041	0.018	67.336	0.000	0.000	0.000	0.000	0.000	0.000
343	G	344	GLN	0	-0.007	-0.015	70.172	-0.001	-0.001	0.000	0.000	0.000	0.000
344	G	345	ARG	1	0.883	0.960	72.795	-0.025	-0.025	0.000	0.000	0.000	0.000
345	G	346	HIS	0	0.006	0.010	68.509	-0.001	-0.001	0.000	0.000	0.000	0.000
346	G	347	ARG	1	0.890	0.933	70.593	-0.023	-0.023	0.000	0.000	0.000	0.000
347	G	348	SER	0	0.011	0.019	71.273	0.000	0.000	0.000	0.000	0.000	0.000
348	G	349	THR	0	0.043	0.011	68.839	0.000	0.000	0.000	0.000	0.000	0.000
349	G	350	ILE	0	0.002	-0.002	65.954	0.001	0.001	0.000	0.000	0.000	0.000
350	G	351	VAL	0	0.026	0.012	66.592	0.001	0.001	0.000	0.000	0.000	0.000
351	G	352	ASP	-1	-0.897	-0.964	68.069	0.023	0.023	0.000	0.000	0.000	0.000
352	G	353	CYS	0	-0.086	-0.036	63.128	0.000	0.000	0.000	0.000	0.000	0.000
353	G	354	LEU	0	-0.040	-0.018	63.124	0.001	0.001	0.000	0.000	0.000	0.000
354	G	355	LYS	1	0.858	0.927	64.334	-0.023	-0.023	0.000	0.000	0.000	0.000
355	G	356	ASP	-1	-0.801	-0.878	60.030	0.029	0.029	0.000	0.000	0.000	0.000
356	G	357	LEU	0	0.004	-0.011	59.250	0.001	0.001	0.000	0.000	0.000	0.000
357	G	358	ASP	-1	-0.848	-0.892	54.528	0.038	0.038	0.000	0.000	0.000	0.000
358	G	359	VAL	0	0.067	0.034	53.732	0.000	0.000	0.000	0.000	0.000	0.000
359	G	360	SER	0	-0.012	-0.026	53.118	0.001	0.001	0.000	0.000	0.000	0.000
360	G	361	ILE	0	-0.085	-0.037	54.997	0.000	0.000	0.000	0.000	0.000	0.000
361	G	362	LYS	1	0.850	0.939	58.495	-0.031	-0.031	0.000	0.000	0.000	0.000
362	G	363	ARG	1	0.767	0.873	55.162	-0.041	-0.041	0.000	0.000	0.000	0.000
363	G	364	ARG	1	0.820	0.855	55.638	-0.042	-0.042	0.000	0.000	0.000	0.000
364	G	365	ALA	0	0.018	0.010	59.498	0.000	0.000	0.000	0.000	0.000	0.000
365	G	366	MET	0	0.001	0.037	59.665	-0.001	-0.001	0.000	0.000	0.000	0.000
366	G	367	GLU	-1	-0.812	-0.874	57.980	0.041	0.041	0.000	0.000	0.000	0.000
367	G	368	LEU	0	-0.007	-0.004	62.317	-0.001	-0.001	0.000	0.000	0.000	0.000
368	G	369	SER	0	-0.011	-0.029	64.503	-0.001	-0.001	0.000	0.000	0.000	0.000
369	G	370	PHE	0	-0.014	-0.015	64.155	-0.001	-0.001	0.000	0.000	0.000	0.000
370	G	371	ALA	0	-0.038	-0.007	65.136	0.000	0.000	0.000	0.000	0.000	0.000
371	G	372	LEU	0	-0.006	0.000	67.256	-0.001	-0.001	0.000	0.000	0.000	0.000
372	G	373	VAL	0	-0.009	0.016	70.393	-0.001	-0.001	0.000	0.000	0.000	0.000
373	G	374	ASN	0	-0.025	-0.028	72.594	0.000	0.000	0.000	0.000	0.000	0.000
374	G	375	GLY	0	0.070	0.024	75.799	0.000	0.000	0.000	0.000	0.000	0.000
375	G	376	ASN	0	-0.016	-0.002	79.056	0.000	0.000	0.000	0.000	0.000	0.000
376	G	377	ASN	0	-0.013	-0.024	74.594	-0.001	-0.001	0.000	0.000	0.000	0.000
377	G	378	ILE	0	0.019	0.034	74.632	0.000	0.000	0.000	0.000	0.000	0.000
378	G	379	ARG	1	0.966	0.981	76.898	-0.020	-0.020	0.000	0.000	0.000	0.000
379	G	380	GLY	0	-0.022	-0.011	78.370	-0.001	-0.001	0.000	0.000	0.000	0.000
380	G	381	MET	0	0.032	0.010	70.843	0.000	0.000	0.000	0.000	0.000	0.000
381	G	382	MET	0	0.008	0.032	72.001	0.001	0.001	0.000	0.000	0.000	0.000
382	G	383	LYS	1	0.903	0.957	73.760	-0.019	-0.019	0.000	0.000	0.000	0.000
383	G	384	GLU	-1	-0.832	-0.906	70.853	0.023	0.023	0.000	0.000	0.000	0.000
384	G	385	LEU	0	0.001	-0.008	67.802	0.000	0.000	0.000	0.000	0.000	0.000
385	G	386	LEU	0	0.021	0.014	69.047	0.001	0.001	0.000	0.000	0.000	0.000
386	G	387	TYR	0	0.013	0.010	70.398	0.000	0.000	0.000	0.000	0.000	0.000
387	G	388	PHE	0	0.040	0.014	62.345	0.000	0.000	0.000	0.000	0.000	0.000
388	G	389	LEU	0	0.029	0.007	65.569	0.001	0.001	0.000	0.000	0.000	0.000
389	G	390	ASP	-1	-0.785	-0.818	66.538	0.023	0.023	0.000	0.000	0.000	0.000
390	G	391	SER	0	-0.064	-0.045	66.929	0.000	0.000	0.000	0.000	0.000	0.000
391	G	392	CYS	0	-0.083	-0.026	62.382	0.001	0.001	0.000	0.000	0.000	0.000
392	G	393	GLU	-1	-0.763	-0.868	57.831	0.031	0.031	0.000	0.000	0.000	0.000
393	G	394	PRO	0	0.025	-0.017	57.231	0.001	0.001	0.000	0.000	0.000	0.000
394	G	395	GLU	-1	-0.891	-0.931	53.951	0.041	0.041	0.000	0.000	0.000	0.000
395	G	396	PHE	0	0.029	0.005	56.705	0.001	0.001	0.000	0.000	0.000	0.000
396	G	397	LYS	1	0.822	0.911	59.748	-0.028	-0.028	0.000	0.000	0.000	0.000
397	G	398	ALA	0	0.045	0.033	58.859	-0.001	-0.001	0.000	0.000	0.000	0.000
398	G	399	ASP	-1	-0.830	-0.900	57.785	0.040	0.040	0.000	0.000	0.000	0.000
399	G	400	CYS	0	-0.012	0.000	60.863	-0.001	-0.001	0.000	0.000	0.000	0.000
400	G	401	ALA	0	0.034	0.022	64.188	-0.001	-0.001	0.000	0.000	0.000	0.000
401	G	402	SER	0	-0.030	-0.022	62.458	0.000	0.000	0.000	0.000	0.000	0.000
402	G	403	GLY	0	-0.010	-0.005	64.557	0.000	0.000	0.000	0.000	0.000	0.000
403	G	404	ILE	0	-0.029	-0.029	65.894	-0.001	-0.001	0.000	0.000	0.000	0.000
404	G	405	PHE	0	0.036	0.012	67.317	-0.001	-0.001	0.000	0.000	0.000	0.000
405	G	406	LEU	0	0.035	0.025	65.267	-0.001	-0.001	0.000	0.000	0.000	0.000
406	G	407	ALA	0	-0.021	-0.021	69.024	-0.001	-0.001	0.000	0.000	0.000	0.000
407	G	408	ALA	0	-0.015	-0.027	71.414	-0.001	-0.001	0.000	0.000	0.000	0.000
408	G	409	GLU	-1	-0.869	-0.942	70.759	0.029	0.029	0.000	0.000	0.000	0.000
409	G	410	LYS	1	0.897	0.963	68.843	-0.032	-0.032	0.000	0.000	0.000	0.000
410	G	411	TYR	0	-0.033	-0.026	72.337	0.000	0.000	0.000	0.000	0.000	0.000
411	G	412	ALA	0	0.044	0.030	77.019	-0.001	-0.001	0.000	0.000	0.000	0.000
412	G	413	PRO	0	-0.061	-0.030	79.131	-0.001	-0.001	0.000	0.000	0.000	0.000
413	G	414	SER	0	-0.022	-0.019	82.272	-0.001	-0.001	0.000	0.000	0.000	0.000
414	G	415	LYS	1	0.900	0.942	82.220	-0.021	-0.021	0.000	0.000	0.000	0.000
415	G	416	ARG	1	0.872	0.917	82.167	-0.017	-0.017	0.000	0.000	0.000	0.000
416	G	417	TRP	0	-0.012	-0.007	75.699	0.000	0.000	0.000	0.000	0.000	0.000
417	G	418	HIS	0	-0.015	-0.008	75.314	0.000	0.000	0.000	0.000	0.000	0.000
418	G	419	ILE	0	0.064	0.030	77.454	0.001	0.001	0.000	0.000	0.000	0.000
419	G	420	ASP	-1	-0.764	-0.843	78.371	0.020	0.020	0.000	0.000	0.000	0.000
420	G	421	THR	0	-0.046	-0.037	74.875	0.000	0.000	0.000	0.000	0.000	0.000
421	G	422	ILE	0	-0.007	0.006	73.591	0.001	0.001	0.000	0.000	0.000	0.000
422	G	423	MET	0	-0.004	0.003	73.560	0.001	0.001	0.000	0.000	0.000	0.000
423	G	424	ARG	1	0.803	0.883	72.698	-0.022	-0.022	0.000	0.000	0.000	0.000
424	G	425	VAL	0	0.003	-0.006	68.699	0.000	0.000	0.000	0.000	0.000	0.000
425	G	426	LEU	0	-0.036	-0.029	69.643	0.001	0.001	0.000	0.000	0.000	0.000
426	G	427	THR	0	-0.007	-0.013	71.216	0.000	0.000	0.000	0.000	0.000	0.000
427	G	428	THR	0	-0.067	-0.051	69.223	0.000	0.000	0.000	0.000	0.000	0.000
428	G	429	ALA	0	-0.018	-0.014	65.741	0.000	0.000	0.000	0.000	0.000	0.000
429	G	430	GLY	0	0.081	0.049	65.867	0.001	0.001	0.000	0.000	0.000	0.000
430	G	431	SER	0	-0.030	-0.031	62.920	0.000	0.000	0.000	0.000	0.000	0.000
431	G	432	TYR	0	-0.048	-0.028	59.370	0.002	0.002	0.000	0.000	0.000	0.000
432	G	433	VAL	0	-0.031	0.000	61.926	0.001	0.001	0.000	0.000	0.000	0.000
433	G	434	ARG	1	0.856	0.886	58.082	-0.041	-0.041	0.000	0.000	0.000	0.000
434	G	435	ASP	-1	-0.792	-0.903	62.482	0.033	0.033	0.000	0.000	0.000	0.000
435	G	436	ASP	-1	-0.851	-0.893	61.538	0.038	0.038	0.000	0.000	0.000	0.000
436	G	437	ALA	0	0.029	0.014	64.443	0.000	0.000	0.000	0.000	0.000	0.000
437	G	438	VAL	0	-0.008	0.007	66.943	-0.001	-0.001	0.000	0.000	0.000	0.000
438	G	439	PRO	0	-0.003	-0.004	67.733	-0.001	-0.001	0.000	0.000	0.000	0.000
439	G	440	ASN	0	-0.020	-0.007	69.302	-0.001	-0.001	0.000	0.000	0.000	0.000
440	G	441	LEU	0	0.000	-0.005	70.195	-0.001	-0.001	0.000	0.000	0.000	0.000
441	G	442	ILE	0	-0.010	-0.007	72.725	-0.001	-0.001	0.000	0.000	0.000	0.000
442	G	443	GLN	0	0.027	0.021	73.212	-0.002	-0.002	0.000	0.000	0.000	0.000
443	G	444	LEU	0	0.011	0.016	73.346	-0.001	-0.001	0.000	0.000	0.000	0.000
444	G	445	ILE	0	-0.054	-0.021	77.202	-0.001	-0.001	0.000	0.000	0.000	0.000
445	G	446	THR	0	-0.014	-0.006	78.782	-0.001	-0.001	0.000	0.000	0.000	0.000
446	G	447	ASN	0	-0.035	-0.019	79.732	-0.001	-0.001	0.000	0.000	0.000	0.000
447	G	448	SER	0	-0.078	-0.055	81.010	0.000	0.000	0.000	0.000	0.000	0.000
448	G	449	VAL	0	0.054	0.030	83.683	0.000	0.000	0.000	0.000	0.000	0.000
449	G	450	GLU	-1	-0.856	-0.949	85.689	0.020	0.020	0.000	0.000	0.000	0.000
450	G	451	MET	0	-0.040	0.007	84.045	0.000	0.000	0.000	0.000	0.000	0.000
451	G	452	HIS	0	0.029	0.047	83.660	0.000	0.000	0.000	0.000	0.000	0.000
452	G	453	ALA	0	0.067	0.037	85.057	0.000	0.000	0.000	0.000	0.000	0.000
453	G	454	TYR	0	-0.004	-0.032	83.607	0.000	0.000	0.000	0.000	0.000	0.000
454	G	455	THR	0	-0.004	-0.015	80.422	0.000	0.000	0.000	0.000	0.000	0.000
455	G	456	VAL	0	-0.004	0.002	81.963	0.000	0.000	0.000	0.000	0.000	0.000
456	G	457	GLN	0	0.035	0.019	82.894	0.000	0.000	0.000	0.000	0.000	0.000
457	G	458	ARG	1	0.801	0.874	80.757	-0.020	-0.020	0.000	0.000	0.000	0.000
458	G	459	LEU	0	-0.004	-0.009	76.311	0.000	0.000	0.000	0.000	0.000	0.000
459	G	460	TYR	0	0.025	0.008	78.945	0.000	0.000	0.000	0.000	0.000	0.000
460	G	461	LYS	1	0.935	0.962	80.869	-0.017	-0.017	0.000	0.000	0.000	0.000
461	G	462	ALA	0	-0.024	0.006	76.595	0.000	0.000	0.000	0.000	0.000	0.000
462	G	463	ILE	0	0.018	-0.005	74.969	0.000	0.000	0.000	0.000	0.000	0.000
463	G	464	LEU	0	-0.042	-0.008	76.834	0.000	0.000	0.000	0.000	0.000	0.000
464	G	465	GLY	0	-0.030	-0.002	77.525	-0.001	-0.001	0.000	0.000	0.000	0.000
465	G	466	ASP	-1	-0.827	-0.901	70.822	0.024	0.024	0.000	0.000	0.000	0.000
466	G	467	TYR	0	0.002	0.000	71.706	0.000	0.000	0.000	0.000	0.000	0.000
467	G	468	SER	0	-0.068	-0.053	67.021	0.001	0.001	0.000	0.000	0.000	0.000
468	G	469	GLN	0	-0.063	-0.049	66.701	0.002	0.002	0.000	0.000	0.000	0.000
469	G	470	GLN	0	0.077	0.023	64.814	-0.001	-0.001	0.000	0.000	0.000	0.000
470	G	471	PRO	0	0.030	0.019	65.479	-0.001	-0.001	0.000	0.000	0.000	0.000
471	G	472	LEU	0	0.011	0.022	68.234	0.000	0.000	0.000	0.000	0.000	0.000
472	G	473	VAL	0	0.039	0.016	69.816	-0.001	-0.001	0.000	0.000	0.000	0.000
473	G	474	GLN	0	-0.103	-0.052	66.457	0.000	0.000	0.000	0.000	0.000	0.000
474	G	475	VAL	0	0.026	0.013	71.875	0.000	0.000	0.000	0.000	0.000	0.000
475	G	476	ALA	0	0.024	0.013	74.208	-0.001	-0.001	0.000	0.000	0.000	0.000
476	G	477	ALA	0	0.034	0.018	74.672	-0.001	-0.001	0.000	0.000	0.000	0.000
477	G	478	TRP	0	0.007	-0.009	74.983	-0.001	-0.001	0.000	0.000	0.000	0.000
478	G	479	CYS	0	-0.051	-0.022	77.114	0.000	0.000	0.000	0.000	0.000	0.000
479	G	480	ILE	0	0.003	-0.011	79.481	-0.001	-0.001	0.000	0.000	0.000	0.000
480	G	481	GLY	0	0.002	-0.005	80.127	-0.001	-0.001	0.000	0.000	0.000	0.000
481	G	482	GLU	-1	-0.741	-0.869	80.527	0.022	0.022	0.000	0.000	0.000	0.000
482	G	483	TYR	0	-0.090	-0.057	81.501	0.000	0.000	0.000	0.000	0.000	0.000
483	G	484	GLY	0	0.079	0.043	85.217	0.000	0.000	0.000	0.000	0.000	0.000
484	G	485	ASP	-1	-0.802	-0.890	86.380	0.018	0.018	0.000	0.000	0.000	0.000
485	G	486	LEU	0	-0.039	-0.024	87.520	0.000	0.000	0.000	0.000	0.000	0.000
486	G	487	LEU	0	-0.079	-0.017	84.282	0.000	0.000	0.000	0.000	0.000	0.000
487	G	488	VAL	0	0.017	-0.002	88.130	0.000	0.000	0.000	0.000	0.000	0.000
488	G	489	SER	0	-0.038	-0.010	90.899	0.000	0.000	0.000	0.000	0.000	0.000
489	G	490	GLY	0	0.034	0.032	92.638	0.000	0.000	0.000	0.000	0.000	0.000
490	G	491	GLN	0	-0.068	-0.058	93.641	0.000	0.000	0.000	0.000	0.000	0.000
491	G	492	CYS	0	-0.042	-0.030	90.147	0.001	0.001	0.000	0.000	0.000	0.000
492	G	493	GLU	-1	-0.922	-0.943	92.585	0.015	0.015	0.000	0.000	0.000	0.000
493	G	494	GLU	-1	-0.864	-0.943	88.422	0.018	0.018	0.000	0.000	0.000	0.000
494	G	495	GLU	-1	-0.960	-0.979	86.995	0.017	0.017	0.000	0.000	0.000	0.000
495	G	496	GLU	-1	-0.866	-0.929	90.932	0.014	0.014	0.000	0.000	0.000	0.000
496	G	497	PRO	0	-0.053	-0.006	91.095	0.000	0.000	0.000	0.000	0.000	0.000
497	G	498	ILE	0	-0.023	-0.017	86.775	0.000	0.000	0.000	0.000	0.000	0.000
498	G	499	GLN	0	-0.036	-0.020	90.634	0.000	0.000	0.000	0.000	0.000	0.000
499	G	500	VAL	0	-0.016	0.001	87.500	0.000	0.000	0.000	0.000	0.000	0.000
500	G	501	THR	0	-0.035	-0.037	89.250	0.000	0.000	0.000	0.000	0.000	0.000
501	G	502	GLU	-1	-0.810	-0.926	88.581	0.015	0.015	0.000	0.000	0.000	0.000
502	G	503	ASP	-1	-0.800	-0.902	87.135	0.016	0.016	0.000	0.000	0.000	0.000
503	G	504	GLU	-1	-0.816	-0.876	85.482	0.016	0.016	0.000	0.000	0.000	0.000
504	G	505	VAL	0	-0.007	-0.002	83.195	0.001	0.001	0.000	0.000	0.000	0.000
505	G	506	LEU	0	-0.046	-0.033	82.322	0.001	0.001	0.000	0.000	0.000	0.000
506	G	507	ASP	-1	-0.886	-0.933	81.493	0.017	0.017	0.000	0.000	0.000	0.000
507	G	508	ILE	0	-0.036	-0.007	77.746	0.001	0.001	0.000	0.000	0.000	0.000
508	G	509	LEU	0	0.009	0.012	77.609	0.001	0.001	0.000	0.000	0.000	0.000
509	G	510	GLU	-1	-0.806	-0.915	76.860	0.019	0.019	0.000	0.000	0.000	0.000
510	G	511	SER	0	-0.061	-0.033	76.033	0.001	0.001	0.000	0.000	0.000	0.000
511	G	512	VAL	0	0.015	0.004	72.316	0.001	0.001	0.000	0.000	0.000	0.000
512	G	513	LEU	0	-0.027	0.000	72.066	0.001	0.001	0.000	0.000	0.000	0.000
513	G	514	ILE	0	-0.013	0.001	71.946	0.001	0.001	0.000	0.000	0.000	0.000
514	G	515	SER	0	0.021	0.017	70.190	0.001	0.001	0.000	0.000	0.000	0.000
515	G	516	ASN	0	-0.011	-0.021	65.360	0.001	0.001	0.000	0.000	0.000	0.000
516	G	517	MET	0	-0.027	0.001	65.142	0.001	0.001	0.000	0.000	0.000	0.000
517	G	518	SER	0	-0.008	0.000	66.064	0.001	0.001	0.000	0.000	0.000	0.000
518	G	519	THR	0	-0.021	-0.006	62.795	0.001	0.001	0.000	0.000	0.000	0.000
519	G	520	SER	0	-0.033	-0.041	64.083	-0.001	-0.001	0.000	0.000	0.000	0.000
520	G	521	VAL	0	0.068	0.015	64.493	-0.001	-0.001	0.000	0.000	0.000	0.000
521	G	522	THR	0	-0.037	-0.019	67.111	-0.001	-0.001	0.000	0.000	0.000	0.000
522	G	523	ARG	1	0.843	0.921	66.813	-0.027	-0.027	0.000	0.000	0.000	0.000
523	G	524	GLY	0	0.030	0.013	69.911	-0.001	-0.001	0.000	0.000	0.000	0.000
524	G	525	TYR	0	-0.036	-0.029	69.109	-0.001	-0.001	0.000	0.000	0.000	0.000
525	G	526	ALA	0	0.040	0.020	73.324	-0.001	-0.001	0.000	0.000	0.000	0.000
526	G	527	LEU	0	-0.003	0.010	74.148	-0.001	-0.001	0.000	0.000	0.000	0.000
527	G	528	THR	0	0.014	-0.005	75.544	-0.001	-0.001	0.000	0.000	0.000	0.000
528	G	529	ALA	0	-0.024	0.009	77.330	-0.001	-0.001	0.000	0.000	0.000	0.000
529	G	530	ILE	0	0.045	0.009	79.057	-0.001	-0.001	0.000	0.000	0.000	0.000
530	G	531	MET	0	-0.027	0.001	80.273	-0.001	-0.001	0.000	0.000	0.000	0.000
531	G	532	LYS	1	0.846	0.943	79.259	-0.024	-0.024	0.000	0.000	0.000	0.000
532	G	533	LEU	0	0.024	0.014	83.289	-0.001	-0.001	0.000	0.000	0.000	0.000
533	G	534	SER	0	-0.093	-0.063	85.123	-0.001	-0.001	0.000	0.000	0.000	0.000
534	G	535	THR	0	-0.039	-0.023	86.992	0.000	0.000	0.000	0.000	0.000	0.000
535	G	536	ARG	1	0.752	0.874	84.357	-0.020	-0.020	0.000	0.000	0.000	0.000
536	G	537	PHE	0	0.019	0.003	89.121	0.000	0.000	0.000	0.000	0.000	0.000
537	G	538	THR	0	-0.015	-0.002	90.836	0.000	0.000	0.000	0.000	0.000	0.000
538	G	539	CYS	0	-0.038	-0.003	93.565	0.000	0.000	0.000	0.000	0.000	0.000
539	G	540	THR	0	0.031	0.012	89.802	0.000	0.000	0.000	0.000	0.000	0.000
540	G	541	VAL	0	0.070	0.040	88.668	0.000	0.000	0.000	0.000	0.000	0.000
541	G	542	ASN	0	0.002	-0.022	88.241	0.001	0.001	0.000	0.000	0.000	0.000
542	G	543	ARG	1	0.831	0.910	86.745	-0.015	-0.015	0.000	0.000	0.000	0.000
543	G	544	ILE	0	0.072	0.047	83.777	0.000	0.000	0.000	0.000	0.000	0.000
544	G	545	LYS	1	0.901	0.964	83.317	-0.016	-0.016	0.000	0.000	0.000	0.000
545	G	546	LYS	1	0.838	0.911	81.987	-0.017	-0.017	0.000	0.000	0.000	0.000
546	G	547	VAL	0	-0.007	0.018	78.994	0.000	0.000	0.000	0.000	0.000	0.000
547	G	548	VAL	0	0.008	0.005	79.072	0.001	0.001	0.000	0.000	0.000	0.000
548	G	549	SER	0	-0.082	-0.045	79.007	0.000	0.000	0.000	0.000	0.000	0.000
549	G	550	ILE	0	-0.005	0.000	78.001	0.000	0.000	0.000	0.000	0.000	0.000
550	G	551	TYR	0	0.042	0.016	72.707	0.001	0.001	0.000	0.000	0.000	0.000
551	G	552	GLY	0	0.000	0.007	74.164	0.001	0.001	0.000	0.000	0.000	0.000
552	G	553	SER	0	-0.098	-0.054	73.617	0.000	0.000	0.000	0.000	0.000	0.000
553	G	554	SER	0	-0.008	0.006	70.371	0.000	0.000	0.000	0.000	0.000	0.000
554	G	555	ILE	0	0.033	-0.006	63.702	0.000	0.000	0.000	0.000	0.000	0.000
555	G	556	ASP	-1	-0.827	-0.873	65.733	0.032	0.032	0.000	0.000	0.000	0.000
556	G	557	VAL	0	0.057	0.011	64.598	-0.001	-0.001	0.000	0.000	0.000	0.000
557	G	558	GLU	-1	-0.818	-0.885	67.233	0.030	0.030	0.000	0.000	0.000	0.000
558	G	559	LEU	0	-0.038	-0.026	69.168	-0.001	-0.001	0.000	0.000	0.000	0.000
559	G	560	GLN	0	-0.038	-0.014	70.422	0.000	0.000	0.000	0.000	0.000	0.000
560	G	561	GLN	0	-0.028	-0.022	70.643	-0.001	-0.001	0.000	0.000	0.000	0.000
561	G	562	ARG	1	0.853	0.924	70.404	-0.029	-0.029	0.000	0.000	0.000	0.000
562	G	563	ALA	0	0.032	0.016	75.062	-0.001	-0.001	0.000	0.000	0.000	0.000
563	G	564	VAL	0	-0.009	-0.010	75.209	-0.001	-0.001	0.000	0.000	0.000	0.000
564	G	565	GLU	-1	-0.913	-0.950	75.170	0.025	0.025	0.000	0.000	0.000	0.000
565	G	566	TYR	0	-0.005	-0.033	76.780	-0.001	-0.001	0.000	0.000	0.000	0.000
566	G	567	ASN	0	-0.005	-0.004	80.562	-0.001	-0.001	0.000	0.000	0.000	0.000
567	G	568	ALA	0	-0.050	-0.027	81.600	-0.001	-0.001	0.000	0.000	0.000	0.000
568	G	569	LEU	0	-0.029	-0.011	82.677	-0.001	-0.001	0.000	0.000	0.000	0.000
569	G	570	PHE	0	0.044	0.008	83.708	-0.001	-0.001	0.000	0.000	0.000	0.000
570	G	571	LYS	1	0.894	0.957	85.525	-0.018	-0.018	0.000	0.000	0.000	0.000
571	G	572	LYS	1	0.865	0.918	85.137	-0.019	-0.019	0.000	0.000	0.000	0.000
572	G	573	TYR	0	-0.013	-0.009	85.463	0.000	0.000	0.000	0.000	0.000	0.000
573	G	574	ASP	-1	-0.777	-0.863	89.373	0.017	0.017	0.000	0.000	0.000	0.000
574	G	575	HIS	0	0.047	0.030	90.680	0.000	0.000	0.000	0.000	0.000	0.000
575	G	576	MET	0	-0.024	-0.023	87.048	0.000	0.000	0.000	0.000	0.000	0.000
576	G	577	ARG	1	0.865	0.918	86.752	-0.017	-0.017	0.000	0.000	0.000	0.000
577	G	578	SER	0	0.024	0.001	87.830	0.000	0.000	0.000	0.000	0.000	0.000
578	G	579	ALA	0	-0.058	-0.023	89.525	0.000	0.000	0.000	0.000	0.000	0.000
579	G	580	LEU	0	-0.035	-0.016	83.583	0.000	0.000	0.000	0.000	0.000	0.000
580	G	581	LEU	0	-0.015	0.001	81.448	0.001	0.001	0.000	0.000	0.000	0.000
581	G	582	GLU	-1	-0.819	-0.886	84.793	0.019	0.019	0.000	0.000	0.000	0.000
582	G	583	ARG	1	0.764	0.845	84.016	-0.019	-0.019	0.000	0.000	0.000	0.000
583	G	584	MET	0	-0.064	-0.020	78.999	0.000	0.000	0.000	0.000	0.000	0.000
584	G	585	PRO	0	-0.017	-0.016	80.795	0.000	0.000	0.000	0.000	0.000	0.000
585	G	586	VAL	0	-0.004	0.013	80.335	0.000	0.000	0.000	0.000	0.000	0.000
586	G	587	MET	0	-0.037	-0.007	73.185	0.000	0.000	0.000	0.000	0.000	0.000
587	G	588	GLU	-1	-0.942	-0.973	75.714	0.026	0.026	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(G:2:PRO)