FMO DATABASE

FMODB ID: V5991

Calculation Name: 6XKI-A-MD433-91ns

Preferred Name:

Target Type:

Ligand Name: (3s,6z,8e,11s,15r)-15-amino-3-[(1e,3e,5e)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione

ligand 3-letter code: V6D

PDB ID: 6XKI

Chain ID: A

ChEMBL ID:

UniProt ID:

Base Structure: MD

Registration Date: 2023-09-19

Reference: Hironori Saito, Yuma Handa, Mingming Chen, Tilman Schneider-Poetsch, Yuichi Shichino, Mari Takahashi, Daniel Romo, Minoru Yoshida, Alois F�rstner, Takuhiro Ito, Kaori Fukuzawa, Shintaro Iwasaki Pateamine A mediates RNA sequence-selective translation repression by anchoring eIF4A and DDX3 to GNG motifs, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	AMBER14SB
Restraint	OptAll(Heavy atoms were optimized with constraints.)
Protonation	BaseStructure_original
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	400
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7601044.009046
FMO2-HF: Nuclear repulsion	7431989.654001
FMO2-HF: Total energy	-169054.355045
FMO2-MP2: Total energy	-169531.707622

3D Structure

Snapshot

Ligand structure

V6D

Ligand Interaction

Ligand binding energy (frag 399-400 : frag 1-398)

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.
-305.708610	-260.701248	58.173615	-20.553088	-82.627890	0.072912

Interactive mode: IFIE and PIEDA for fragment #399(:389:V6D)

Summations of interaction energy for fragment #399(:389:V6D)

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.
-54.78	-23.845	35.889	-13.6	-53.223	-0.047

Interaction energy analysis for fragmet #399(:389:V6D)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.074 / q_NPA : -0.026

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.	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].
131	131	PRO	0	0.060	0.017	3.289	-0.812	0.139	0.161	-0.223	-0.888	0.000
132	132	GLY	0	0.035	0.018	2.574	-1.953	0.287	5.392	-3.639	-3.995	-0.002
133	133	ARG	1	0.816	0.860	2.541	-0.125	-1.419	1.017	2.725	-2.449	-0.020
134	134	VAL	0	0.018	0.004	5.171	-0.159	-0.027	-0.001	-0.008	-0.123	0.000
135	135	PHE	0	-0.001	0.002	2.379	-8.526	-2.442	12.321	-3.909	-14.496	0.013
136	136	ASP	-1	-0.808	-0.894	2.736	-4.251	-2.529	0.154	-0.586	-1.289	-0.003
137	137	MET	0	-0.053	-0.025	3.942	0.584	0.806	0.003	-0.028	-0.197	0.000
139	139	ASN	0	-0.064	-0.026	2.666	0.502	1.355	0.464	-0.293	-1.023	-0.001
166	166	ASP	-1	-0.913	-0.962	4.426	-0.441	-0.339	-0.001	-0.012	-0.088	0.000
167	167	GLN	0	-0.015	-0.012	2.584	-9.320	-4.766	7.856	-3.620	-8.789	-0.003
168	168	ILE	0	0.022	-0.005	3.051	-2.447	-2.444	0.133	1.311	-1.448	-0.006
170	170	ASP	-1	-0.874	-0.939	2.522	-4.366	-1.780	0.467	-1.162	-1.891	-0.008
171	171	ILE	0	-0.081	-0.037	3.070	-0.096	1.092	0.164	-0.199	-1.153	-0.001
172	172	PHE	0	-0.003	-0.011	5.180	0.421	0.428	-0.001	-0.003	-0.003	0.000
174	174	LYS	1	0.873	0.938	4.764	-5.130	-4.984	-0.001	-0.001	-0.144	0.000
391	385	A	0	-0.332	-0.294	2.694	-2.822	-1.524	0.301	-0.480	-1.119	-0.004
392	385	A	-1	-0.415	-0.556	2.899	-3.976	-2.486	0.139	-0.488	-1.141	-0.002
393	386	A	0	-0.343	-0.291	2.758	-8.935	-1.311	6.958	-2.584	-11.998	-0.012
394	386	A	-1	-0.500	-0.584	2.702	-1.744	-0.717	0.363	-0.401	-0.989	0.002
1	1	GLU	0	-0.099	-0.064	35.233	0.006	0.006	0.000	0.000	0.000	0.000
2	2	ILE	0	0.022	0.003	35.910	-0.003	-0.003	0.000	0.000	0.000	0.000
3	3	VAL	0	0.049	0.038	35.638	0.003	0.003	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.909	-0.957	36.932	-0.045	-0.045	0.000	0.000	0.000	0.000
5	5	SER	0	0.030	0.005	38.458	-0.005	-0.005	0.000	0.000	0.000	0.000
6	6	PHE	0	0.062	0.007	31.840	0.002	0.002	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.854	-0.912	36.298	-0.046	-0.046	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.907	-0.951	38.992	-0.029	-0.029	0.000	0.000	0.000	0.000
9	9	MET	0	-0.160	-0.068	33.210	0.001	0.001	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.079	-0.036	34.264	0.003	0.003	0.000	0.000	0.000	0.000
11	11	LEU	0	0.008	0.013	31.184	0.001	0.001	0.000	0.000	0.000	0.000
12	12	SER	0	0.042	0.015	33.303	0.003	0.003	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.916	-0.955	35.069	-0.044	-0.044	0.000	0.000	0.000	0.000
14	14	SER	0	-0.004	-0.008	35.194	-0.004	-0.004	0.000	0.000	0.000	0.000
15	15	LEU	0	0.013	0.009	29.399	-0.007	-0.007	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.004	-0.002	32.962	-0.008	-0.008	0.000	0.000	0.000	0.000
17	17	ARG	1	0.913	0.971	35.616	0.061	0.061	0.000	0.000	0.000	0.000
18	18	GLY	0	0.050	0.030	32.518	-0.004	-0.004	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.016	-0.024	31.010	-0.009	-0.009	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.096	-0.069	32.982	-0.006	-0.006	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.033	-0.004	34.703	0.000	0.000	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.039	-0.014	27.185	-0.011	-0.011	0.000	0.000	0.000	0.000
23	23	GLY	0	0.001	-0.001	32.902	-0.006	-0.006	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.090	-0.038	28.981	0.001	0.001	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.880	-0.941	35.125	-0.063	-0.063	0.000	0.000	0.000	0.000
26	26	LYS	1	0.913	0.933	37.408	0.056	0.056	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.021	0.024	33.726	-0.006	-0.006	0.000	0.000	0.000	0.000
28	28	SER	0	0.044	-0.001	30.968	0.006	0.006	0.000	0.000	0.000	0.000
29	29	ALA	0	0.023	0.000	33.768	0.004	0.004	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.004	0.008	26.492	0.007	0.007	0.000	0.000	0.000	0.000
31	31	GLN	0	0.036	0.008	28.383	0.013	0.013	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.010	-0.022	30.963	0.008	0.008	0.000	0.000	0.000	0.000
33	33	ARG	1	0.873	0.935	32.269	0.060	0.060	0.000	0.000	0.000	0.000
34	34	ALA	0	0.002	0.008	27.026	0.006	0.006	0.000	0.000	0.000	0.000
35	35	ILE	0	0.054	0.036	27.576	0.001	0.001	0.000	0.000	0.000	0.000
36	36	LEU	0	0.049	0.027	28.332	0.004	0.004	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.042	-0.023	27.877	0.006	0.006	0.000	0.000	0.000	0.000
38	38	CYS	0	0.007	0.002	24.178	0.004	0.004	0.000	0.000	0.000	0.000
39	39	ILE	0	0.032	0.024	24.917	0.005	0.005	0.000	0.000	0.000	0.000
40	40	LYS	1	0.860	0.928	27.353	0.013	0.013	0.000	0.000	0.000	0.000
41	41	GLY	0	0.054	0.039	24.164	0.009	0.009	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.052	-0.016	23.742	0.009	0.009	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.807	-0.890	19.477	0.027	0.027	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.053	-0.037	20.737	0.001	0.001	0.000	0.000	0.000	0.000
45	45	ILE	0	-0.011	0.005	19.182	-0.013	-0.013	0.000	0.000	0.000	0.000
46	46	ALA	0	-0.016	-0.027	21.405	0.011	0.011	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.003	-0.012	22.863	-0.006	-0.006	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.013	-0.017	24.923	0.013	0.013	0.000	0.000	0.000	0.000
49	49	GLN	0	0.099	0.055	25.806	-0.021	-0.021	0.000	0.000	0.000	0.000
50	50	SER	0	0.030	0.018	23.100	0.006	0.006	0.000	0.000	0.000	0.000
51	51	GLY	0	0.047	0.021	25.707	-0.003	-0.003	0.000	0.000	0.000	0.000
52	52	THR	0	-0.086	-0.048	28.092	0.006	0.006	0.000	0.000	0.000	0.000
53	53	GLY	0	0.066	0.048	27.634	0.008	0.008	0.000	0.000	0.000	0.000
54	54	LYS	1	0.816	0.894	19.450	0.245	0.245	0.000	0.000	0.000	0.000
55	55	THR	0	0.044	0.011	20.808	-0.006	-0.006	0.000	0.000	0.000	0.000
56	56	ALA	0	0.038	0.020	22.835	0.005	0.005	0.000	0.000	0.000	0.000
57	57	THR	0	-0.001	0.004	24.954	0.013	0.013	0.000	0.000	0.000	0.000
58	58	PHE	0	0.045	0.029	18.610	0.013	0.013	0.000	0.000	0.000	0.000
59	59	ALA	0	0.020	0.009	22.777	0.010	0.010	0.000	0.000	0.000	0.000
60	60	ILE	0	0.011	0.005	23.607	0.009	0.009	0.000	0.000	0.000	0.000
61	61	SER	0	-0.023	-0.033	23.973	0.013	0.013	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.017	-0.005	19.321	0.011	0.011	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.018	-0.020	23.420	0.012	0.012	0.000	0.000	0.000	0.000
64	64	GLN	0	0.037	0.016	26.112	0.001	0.001	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.079	-0.044	23.723	0.019	0.019	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.083	-0.026	22.356	0.009	0.009	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.867	-0.935	25.957	-0.002	-0.002	0.000	0.000	0.000	0.000
68	68	LEU	0	0.002	-0.011	27.001	-0.003	-0.003	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.911	-0.935	28.817	-0.016	-0.016	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.124	-0.049	23.192	0.011	0.011	0.000	0.000	0.000	0.000
71	71	LYS	1	0.894	0.941	22.941	0.050	0.050	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.026	-0.032	19.862	0.007	0.007	0.000	0.000	0.000	0.000
73	73	THR	0	-0.028	-0.017	16.006	-0.007	-0.007	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.061	-0.048	18.647	0.038	0.038	0.000	0.000	0.000	0.000
75	75	ALA	0	0.003	0.011	17.500	0.019	0.019	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.023	-0.001	9.987	-0.021	-0.021	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.009	-0.009	13.677	0.017	0.017	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.026	-0.015	7.198	-0.055	-0.055	0.000	0.000	0.000	0.000
79	79	ALA	0	0.053	0.009	10.490	0.072	0.072	0.000	0.000	0.000	0.000
80	80	PRO	0	0.005	0.001	9.109	-0.116	-0.116	0.000	0.000	0.000	0.000
81	81	THR	0	0.003	0.008	9.008	-0.182	-0.182	0.000	0.000	0.000	0.000
82	82	ARG	1	0.858	0.900	7.664	1.751	1.751	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.760	-0.872	12.003	-0.584	-0.584	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.025	0.004	14.397	0.066	0.066	0.000	0.000	0.000	0.000
85	85	ALA	0	0.011	-0.002	12.174	0.058	0.058	0.000	0.000	0.000	0.000
86	86	GLN	0	0.007	-0.006	14.327	0.026	0.026	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.009	0.009	17.054	0.043	0.043	0.000	0.000	0.000	0.000
88	88	ILE	0	0.008	-0.002	15.525	0.036	0.036	0.000	0.000	0.000	0.000
89	89	GLN	0	0.008	0.002	18.259	0.023	0.023	0.000	0.000	0.000	0.000
90	90	LYS	1	0.967	0.991	19.997	0.247	0.247	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.016	-0.003	22.715	0.020	0.020	0.000	0.000	0.000	0.000
92	92	VAL	0	0.018	0.000	20.457	0.019	0.019	0.000	0.000	0.000	0.000
93	93	MET	0	-0.018	-0.002	23.206	0.016	0.016	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.033	-0.007	25.611	0.013	0.013	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.033	-0.016	26.134	0.011	0.011	0.000	0.000	0.000	0.000
96	96	GLY	0	0.023	-0.002	27.556	0.013	0.013	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.950	-0.964	28.554	-0.107	-0.107	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.011	-0.020	31.378	0.004	0.004	0.000	0.000	0.000	0.000
99	99	MET	0	-0.070	-0.020	28.572	0.003	0.003	0.000	0.000	0.000	0.000
100	100	GLY	0	0.023	0.025	30.378	0.006	0.006	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.066	-0.020	25.704	-0.001	-0.001	0.000	0.000	0.000	0.000
102	102	SER	0	-0.032	-0.041	23.467	-0.021	-0.021	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.087	-0.064	19.171	-0.008	-0.008	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.037	-0.036	14.284	0.031	0.031	0.000	0.000	0.000	0.000
105	105	ALA	0	0.024	0.009	14.641	0.013	0.013	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.051	-0.005	10.043	-0.006	-0.006	0.000	0.000	0.000	0.000
107	107	ILE	0	0.014	0.007	9.863	-0.072	-0.072	0.000	0.000	0.000	0.000
108	108	GLY	0	0.014	0.006	8.086	0.019	0.019	0.000	0.000	0.000	0.000
109	109	GLY	0	0.009	-0.002	8.689	0.125	0.125	0.000	0.000	0.000	0.000
110	110	THR	0	-0.003	0.013	11.120	0.120	0.120	0.000	0.000	0.000	0.000
111	111	ASN	0	0.021	0.001	11.928	-0.056	-0.056	0.000	0.000	0.000	0.000
112	112	VAL	0	0.106	0.067	8.915	0.013	0.013	0.000	0.000	0.000	0.000
113	113	ARG	1	0.944	0.978	11.964	0.384	0.384	0.000	0.000	0.000	0.000
114	114	ALA	0	-0.029	-0.032	14.774	0.044	0.044	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.762	-0.857	10.700	-0.639	-0.639	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.008	-0.017	11.376	0.053	0.053	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.011	-0.004	13.964	0.058	0.058	0.000	0.000	0.000	0.000
118	118	LYS	1	0.914	0.963	16.972	0.352	0.352	0.000	0.000	0.000	0.000
119	119	LEU	0	0.018	-0.005	12.144	0.026	0.026	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.032	0.001	16.146	0.060	0.060	0.000	0.000	0.000	0.000
121	121	MET	0	-0.053	-0.023	18.311	0.030	0.030	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.845	-0.899	21.088	-0.110	-0.110	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.053	-0.012	18.723	0.015	0.015	0.000	0.000	0.000	0.000
124	124	PRO	0	0.022	0.021	18.028	0.013	0.013	0.000	0.000	0.000	0.000
125	125	HIS	0	0.148	0.080	19.451	-0.014	-0.014	0.000	0.000	0.000	0.000
126	126	ILE	0	0.012	0.014	18.763	0.015	0.015	0.000	0.000	0.000	0.000
127	127	ILE	0	0.000	0.004	13.181	-0.026	-0.026	0.000	0.000	0.000	0.000
128	128	VAL	0	0.016	0.021	13.640	0.017	0.017	0.000	0.000	0.000	0.000
129	129	GLY	0	0.023	-0.004	10.607	-0.008	-0.008	0.000	0.000	0.000	0.000
130	130	THR	0	-0.019	-0.027	6.622	0.124	0.124	0.000	0.000	0.000	0.000
138	138	LEU	0	0.019	0.019	7.168	0.183	0.183	0.000	0.000	0.000	0.000
140	140	ARG	1	0.795	0.869	5.449	1.444	1.444	0.000	0.000	0.000	0.000
141	141	ARG	1	0.887	0.957	7.746	-1.130	-1.130	0.000	0.000	0.000	0.000
142	142	TYR	0	0.000	0.000	10.067	-0.001	-0.001	0.000	0.000	0.000	0.000
143	143	LEU	0	0.019	0.035	9.974	-0.019	-0.019	0.000	0.000	0.000	0.000
144	144	SER	0	0.018	-0.005	11.996	0.114	0.114	0.000	0.000	0.000	0.000
145	145	PRO	0	0.040	0.008	12.778	-0.050	-0.050	0.000	0.000	0.000	0.000
146	146	LYS	1	0.865	0.951	15.343	-0.203	-0.203	0.000	0.000	0.000	0.000
147	147	TYR	0	0.006	-0.017	18.107	-0.008	-0.008	0.000	0.000	0.000	0.000
148	148	ILE	0	0.010	0.013	13.451	-0.026	-0.026	0.000	0.000	0.000	0.000
149	149	LYS	1	0.928	0.972	17.245	-0.029	-0.029	0.000	0.000	0.000	0.000
150	150	MET	0	0.021	0.034	17.743	0.005	0.005	0.000	0.000	0.000	0.000
151	151	PHE	0	-0.005	-0.016	8.429	-0.007	-0.007	0.000	0.000	0.000	0.000
152	152	VAL	0	0.003	-0.005	14.135	0.007	0.007	0.000	0.000	0.000	0.000
153	153	LEU	0	0.006	0.004	10.256	-0.043	-0.043	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.798	-0.882	14.051	-0.233	-0.233	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.851	-0.939	14.150	-0.341	-0.341	0.000	0.000	0.000	0.000
156	156	ALA	0	0.026	0.006	14.447	-0.021	-0.021	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.766	-0.820	14.812	-0.228	-0.228	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.896	-0.937	11.893	-0.439	-0.439	0.000	0.000	0.000	0.000
159	159	MET	0	-0.060	-0.005	8.170	-0.020	-0.020	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.033	-0.023	10.240	0.037	0.037	0.000	0.000	0.000	0.000
161	161	SER	0	0.015	0.004	11.275	0.026	0.026	0.000	0.000	0.000	0.000
162	162	ARG	1	0.781	0.857	10.318	0.205	0.205	0.000	0.000	0.000	0.000
163	163	GLY	0	0.064	0.052	8.186	0.070	0.070	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.020	-0.015	5.656	-0.216	-0.216	0.000	0.000	0.000	0.000
165	165	LYS	1	0.906	0.959	6.652	0.343	0.343	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.003	-0.002	5.816	0.008	0.008	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.006	0.008	7.454	-0.038	-0.038	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.016	0.004	9.606	-0.037	-0.037	0.000	0.000	0.000	0.000
176	176	ASN	0	0.016	0.009	12.086	0.017	0.017	0.000	0.000	0.000	0.000
177	177	SER	0	0.013	0.010	15.751	-0.050	-0.050	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.032	-0.022	17.604	-0.033	-0.033	0.000	0.000	0.000	0.000
179	179	THR	0	-0.088	-0.038	14.785	-0.025	-0.025	0.000	0.000	0.000	0.000
180	180	GLN	0	0.007	0.004	17.431	-0.004	-0.004	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.023	-0.024	14.469	-0.021	-0.021	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.022	-0.014	16.510	0.001	0.001	0.000	0.000	0.000	0.000
183	183	LEU	0	-0.003	0.001	14.938	-0.024	-0.024	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.010	-0.005	17.585	0.019	0.019	0.000	0.000	0.000	0.000
185	185	SER	0	-0.037	-0.040	18.265	-0.031	-0.031	0.000	0.000	0.000	0.000
186	186	ALA	0	0.011	0.015	20.443	0.019	0.019	0.000	0.000	0.000	0.000
187	187	THR	0	-0.002	-0.010	20.435	0.014	0.014	0.000	0.000	0.000	0.000
188	188	MET	0	-0.015	-0.022	18.450	-0.009	-0.009	0.000	0.000	0.000	0.000
189	189	PRO	0	0.060	0.043	20.443	0.016	0.016	0.000	0.000	0.000	0.000
190	190	SER	0	-0.011	-0.020	21.804	0.001	0.001	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.880	-0.931	20.110	-0.072	-0.072	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.002	-0.008	16.482	0.005	0.005	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.032	-0.026	18.127	0.005	0.005	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.936	-0.949	19.165	0.004	0.004	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.077	-0.038	13.174	0.016	0.016	0.000	0.000	0.000	0.000
196	196	THR	0	0.055	0.011	14.815	0.003	0.003	0.000	0.000	0.000	0.000
197	197	LYS	1	0.956	0.999	16.283	-0.035	-0.035	0.000	0.000	0.000	0.000
198	198	LYS	1	0.851	0.934	9.383	0.068	0.068	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.004	0.008	9.027	0.037	0.037	0.000	0.000	0.000	0.000
200	200	MET	0	0.044	0.019	14.095	0.032	0.032	0.000	0.000	0.000	0.000
201	201	ARG	1	0.852	0.915	16.918	-0.148	-0.148	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.997	-0.991	21.270	0.031	0.031	0.000	0.000	0.000	0.000
203	203	PRO	0	0.040	0.045	20.652	0.003	0.003	0.000	0.000	0.000	0.000
204	204	ILE	0	0.019	0.001	23.109	-0.002	-0.002	0.000	0.000	0.000	0.000
205	205	ARG	1	0.956	0.971	23.433	0.009	0.009	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.062	-0.018	25.512	0.005	0.005	0.000	0.000	0.000	0.000
207	207	LEU	0	0.030	0.013	24.973	-0.008	-0.008	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.001	-0.008	28.147	0.004	0.004	0.000	0.000	0.000	0.000
209	209	LYS	1	0.947	0.977	29.178	0.048	0.048	0.000	0.000	0.000	0.000
210	210	LYS	1	0.859	0.908	28.783	0.080	0.080	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.814	-0.890	30.027	-0.082	-0.082	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.939	-0.955	32.560	-0.075	-0.075	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.095	-0.049	26.203	-0.003	-0.003	0.000	0.000	0.000	0.000
214	214	THR	0	-0.032	-0.025	29.644	-0.009	-0.009	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.028	0.003	27.546	0.003	0.003	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.911	-0.947	32.021	-0.123	-0.123	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.081	-0.056	34.019	-0.005	-0.005	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.020	-0.007	30.354	0.001	0.001	0.000	0.000	0.000	0.000
219	219	ARG	1	0.761	0.867	34.596	0.112	0.112	0.000	0.000	0.000	0.000
220	220	GLN	0	0.039	0.017	32.653	-0.014	-0.014	0.000	0.000	0.000	0.000
221	221	PHE	0	0.056	0.021	35.427	0.006	0.006	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.045	-0.022	35.400	-0.008	-0.008	0.000	0.000	0.000	0.000
223	223	ILE	0	0.043	0.016	36.226	0.005	0.005	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.005	-0.009	37.123	-0.006	-0.006	0.000	0.000	0.000	0.000
225	225	VAL	0	0.012	-0.002	34.989	0.002	0.002	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.954	-0.965	38.399	-0.081	-0.081	0.000	0.000	0.000	0.000
227	227	ARG	1	0.843	0.908	37.329	0.097	0.097	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.750	-0.846	30.073	-0.163	-0.163	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.866	-0.947	33.379	-0.115	-0.115	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.019	-0.014	35.129	-0.002	-0.002	0.000	0.000	0.000	0.000
231	231	LYS	1	0.848	0.921	29.231	0.163	0.163	0.000	0.000	0.000	0.000
232	232	LEU	0	-0.011	0.002	33.519	-0.003	-0.003	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.808	-0.904	35.043	-0.114	-0.114	0.000	0.000	0.000	0.000
234	234	THR	0	0.019	0.015	36.679	0.004	0.004	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.026	-0.021	31.855	-0.001	-0.001	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.105	-0.064	35.960	-0.001	-0.001	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.888	-0.925	38.503	-0.100	-0.100	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.032	-0.017	35.735	0.003	0.003	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.012	-0.008	33.516	-0.001	-0.001	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.889	-0.927	38.875	-0.101	-0.101	0.000	0.000	0.000	0.000
241	241	THR	0	-0.039	-0.035	37.359	-0.002	-0.002	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.002	0.009	33.932	-0.003	-0.003	0.000	0.000	0.000	0.000
243	243	THR	0	-0.055	-0.034	37.449	-0.001	-0.001	0.000	0.000	0.000	0.000
244	244	ILE	0	0.004	0.015	39.479	0.001	0.001	0.000	0.000	0.000	0.000
245	245	THR	0	-0.114	-0.073	34.991	-0.003	-0.003	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.020	-0.010	28.394	0.010	0.010	0.000	0.000	0.000	0.000
247	247	ALA	0	0.018	0.003	30.691	0.003	0.003	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.034	-0.014	23.841	-0.010	-0.010	0.000	0.000	0.000	0.000
249	249	ILE	0	-0.001	0.000	26.115	0.013	0.013	0.000	0.000	0.000	0.000
250	250	PHE	0	0.040	0.015	21.195	-0.018	-0.018	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.042	-0.027	22.200	0.024	0.024	0.000	0.000	0.000	0.000
252	252	ASN	0	-0.008	-0.020	21.274	-0.036	-0.036	0.000	0.000	0.000	0.000
253	253	THR	0	-0.024	-0.007	19.546	-0.016	-0.016	0.000	0.000	0.000	0.000
254	254	ARG	1	0.919	0.922	13.520	0.613	0.613	0.000	0.000	0.000	0.000
255	255	ARG	1	0.957	0.974	19.788	0.292	0.292	0.000	0.000	0.000	0.000
256	256	LYS	1	0.808	0.881	22.445	0.211	0.211	0.000	0.000	0.000	0.000
257	257	VAL	0	0.052	0.024	21.529	0.016	0.016	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.836	-0.885	22.098	-0.333	-0.333	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.023	-0.005	25.048	0.019	0.019	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.021	-0.013	27.551	0.014	0.014	0.000	0.000	0.000	0.000
261	261	THR	0	-0.015	-0.034	26.256	0.008	0.008	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.957	-0.968	28.817	-0.174	-0.174	0.000	0.000	0.000	0.000
263	263	LYS	1	0.911	0.949	30.867	0.157	0.157	0.000	0.000	0.000	0.000
264	264	MET	0	-0.006	-0.009	32.101	0.012	0.012	0.000	0.000	0.000	0.000
265	265	HIS	0	0.017	0.011	32.199	0.006	0.006	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.043	-0.011	34.240	0.007	0.007	0.000	0.000	0.000	0.000
267	267	ARG	1	0.748	0.858	36.731	0.128	0.128	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.918	-0.943	37.748	-0.119	-0.119	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.031	-0.015	35.713	0.003	0.003	0.000	0.000	0.000	0.000
270	270	THR	0	-0.022	-0.014	34.148	-0.003	-0.003	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.005	-0.012	29.164	-0.001	-0.001	0.000	0.000	0.000	0.000
272	272	SER	0	0.032	0.024	26.496	0.003	0.003	0.000	0.000	0.000	0.000
273	273	ALA	0	0.013	0.004	23.292	0.006	0.006	0.000	0.000	0.000	0.000
274	274	MET	0	-0.033	-0.013	17.706	-0.031	-0.031	0.000	0.000	0.000	0.000
275	275	HIS	0	0.013	-0.012	16.902	-0.038	-0.038	0.000	0.000	0.000	0.000
276	276	GLY	0	0.012	-0.019	12.779	-0.012	-0.012	0.000	0.000	0.000	0.000
277	277	ASP	-1	-0.989	-0.992	12.614	-0.712	-0.712	0.000	0.000	0.000	0.000
278	278	MET	0	-0.041	0.009	14.809	0.038	0.038	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.894	-0.947	14.743	-0.689	-0.689	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.029	-0.041	13.142	-0.063	-0.063	0.000	0.000	0.000	0.000
281	281	LYS	1	0.904	0.937	15.459	0.547	0.547	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.875	-0.920	18.672	-0.324	-0.324	0.000	0.000	0.000	0.000
283	283	ARG	1	0.783	0.853	11.312	0.971	0.971	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.937	-0.961	18.420	-0.368	-0.368	0.000	0.000	0.000	0.000
285	285	VAL	0	0.013	0.006	19.733	0.034	0.034	0.000	0.000	0.000	0.000
286	286	ILE	0	0.014	0.010	20.697	0.027	0.027	0.000	0.000	0.000	0.000
287	287	MET	0	0.011	0.009	20.015	0.018	0.018	0.000	0.000	0.000	0.000
288	288	ARG	1	0.931	0.963	22.174	0.265	0.265	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.863	-0.913	25.032	-0.201	-0.201	0.000	0.000	0.000	0.000
290	290	PHE	0	0.051	0.035	24.737	0.015	0.015	0.000	0.000	0.000	0.000
291	291	ARG	1	0.840	0.899	20.924	0.318	0.318	0.000	0.000	0.000	0.000
292	292	SER	0	-0.065	-0.035	27.069	0.016	0.016	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.029	-0.012	29.698	0.014	0.014	0.000	0.000	0.000	0.000
294	294	SER	0	-0.111	-0.059	30.624	0.013	0.013	0.000	0.000	0.000	0.000
295	295	SER	0	0.022	0.014	27.876	0.011	0.011	0.000	0.000	0.000	0.000
296	296	ARG	1	0.896	0.939	30.212	0.142	0.142	0.000	0.000	0.000	0.000
297	297	VAL	0	0.019	-0.009	30.037	0.004	0.004	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.034	0.002	22.243	-0.006	-0.006	0.000	0.000	0.000	0.000
299	299	ILE	0	0.014	0.006	24.717	0.002	0.002	0.000	0.000	0.000	0.000
300	300	THR	0	-0.047	-0.038	19.548	-0.032	-0.032	0.000	0.000	0.000	0.000
301	301	THR	0	0.042	-0.004	16.667	0.036	0.036	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.785	-0.905	16.853	-0.319	-0.319	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.049	-0.003	13.189	-0.018	-0.018	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.016	-0.024	15.495	-0.008	-0.008	0.000	0.000	0.000	0.000
305	305	ALA	0	0.020	0.015	18.026	0.041	0.041	0.000	0.000	0.000	0.000
306	306	ARG	1	0.839	0.877	15.691	0.337	0.337	0.000	0.000	0.000	0.000
307	307	GLY	0	0.023	0.013	18.013	-0.030	-0.030	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.024	-0.015	16.802	0.018	0.018	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.862	-0.908	20.662	-0.211	-0.211	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.028	-0.013	23.951	-0.004	-0.004	0.000	0.000	0.000	0.000
311	311	GLN	0	0.032	0.018	26.459	0.001	0.001	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.016	-0.019	29.846	0.007	0.007	0.000	0.000	0.000	0.000
313	313	VAL	0	0.003	0.011	27.110	0.009	0.009	0.000	0.000	0.000	0.000
314	314	SER	0	-0.001	0.002	30.288	0.001	0.001	0.000	0.000	0.000	0.000
315	315	LEU	0	0.027	0.017	32.255	0.001	0.001	0.000	0.000	0.000	0.000
316	316	VAL	0	0.020	0.010	27.149	-0.013	-0.013	0.000	0.000	0.000	0.000
317	317	ILE	0	0.001	0.003	28.881	0.013	0.013	0.000	0.000	0.000	0.000
318	318	ASN	0	0.008	0.003	26.440	-0.032	-0.032	0.000	0.000	0.000	0.000
319	319	TYR	0	0.082	0.028	27.890	0.014	0.014	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.791	-0.871	25.274	-0.199	-0.199	0.000	0.000	0.000	0.000
321	321	LEU	0	0.039	0.022	26.431	-0.011	-0.011	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.010	0.021	23.428	-0.001	-0.001	0.000	0.000	0.000	0.000
323	323	THR	0	0.049	0.004	23.559	0.019	0.019	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.012	-0.003	19.605	0.010	0.010	0.000	0.000	0.000	0.000
325	325	ARG	1	0.928	0.935	22.609	0.096	0.096	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.888	-0.924	20.828	-0.151	-0.151	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.070	-0.048	19.223	0.011	0.011	0.000	0.000	0.000	0.000
328	328	TYR	0	0.003	-0.012	21.405	-0.009	-0.009	0.000	0.000	0.000	0.000
329	329	ILE	0	0.007	0.002	24.294	0.001	0.001	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.061	-0.034	20.736	-0.005	-0.005	0.000	0.000	0.000	0.000
331	331	ARG	1	0.816	0.891	21.177	0.260	0.260	0.000	0.000	0.000	0.000
332	332	ILE	0	0.017	0.005	23.766	0.001	0.001	0.000	0.000	0.000	0.000
333	333	GLY	0	0.005	0.007	25.635	0.008	0.008	0.000	0.000	0.000	0.000
334	334	ARG	1	0.759	0.879	20.985	0.260	0.260	0.000	0.000	0.000	0.000
335	335	GLY	0	0.015	0.026	25.220	-0.001	-0.001	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.009	-0.015	29.020	0.001	0.001	0.000	0.000	0.000	0.000
337	337	ARG	1	0.832	0.933	26.213	0.187	0.187	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.032	-0.036	30.384	0.007	0.007	0.000	0.000	0.000	0.000
339	339	GLY	0	0.036	0.030	32.520	0.006	0.006	0.000	0.000	0.000	0.000
340	340	ARG	1	0.851	0.936	33.170	0.151	0.151	0.000	0.000	0.000	0.000
341	341	LYS	1	0.970	0.982	34.942	0.092	0.092	0.000	0.000	0.000	0.000
342	342	GLY	0	0.099	0.052	33.327	0.001	0.001	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.024	0.008	33.455	0.008	0.008	0.000	0.000	0.000	0.000
344	344	ALA	0	0.030	0.015	31.011	-0.011	-0.011	0.000	0.000	0.000	0.000
345	345	ILE	0	0.020	0.016	32.463	0.008	0.008	0.000	0.000	0.000	0.000
346	346	ASN	0	0.000	-0.006	30.840	-0.021	-0.021	0.000	0.000	0.000	0.000
347	347	MET	0	-0.003	0.011	32.030	0.008	0.008	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.046	-0.023	32.328	-0.004	-0.004	0.000	0.000	0.000	0.000
349	349	THR	0	0.013	-0.005	34.579	0.006	0.006	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.911	-0.982	36.499	-0.076	-0.076	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.815	-0.874	33.841	-0.085	-0.085	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.854	-0.902	31.666	-0.123	-0.123	0.000	0.000	0.000	0.000
353	353	LYS	1	0.936	0.962	33.195	0.079	0.079	0.000	0.000	0.000	0.000
354	354	ARG	1	0.811	0.888	32.754	0.087	0.087	0.000	0.000	0.000	0.000
355	355	THR	0	0.016	0.006	28.429	0.002	0.002	0.000	0.000	0.000	0.000
356	356	LEU	0	0.011	0.010	31.295	-0.003	-0.003	0.000	0.000	0.000	0.000
357	357	ARG	1	0.889	0.937	32.845	0.076	0.076	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.833	-0.879	29.973	-0.095	-0.095	0.000	0.000	0.000	0.000
359	359	ILE	0	0.016	0.005	27.584	0.001	0.001	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.821	-0.901	30.655	-0.087	-0.087	0.000	0.000	0.000	0.000
361	361	THR	0	-0.047	-0.050	33.931	0.004	0.004	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.032	0.001	27.328	0.007	0.007	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.037	-0.058	25.781	0.004	0.004	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.044	-0.017	32.540	0.003	0.003	0.000	0.000	0.000	0.000
365	365	THR	0	-0.020	0.010	33.101	0.000	0.000	0.000	0.000	0.000	0.000
366	366	SER	0	-0.025	-0.017	36.105	0.004	0.004	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.075	-0.034	33.326	-0.005	-0.005	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.863	-0.925	37.715	-0.075	-0.075	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.931	-0.975	39.851	-0.084	-0.084	0.000	0.000	0.000	0.000
370	370	MET	0	-0.038	-0.014	39.088	-0.002	-0.002	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.039	-0.012	41.377	0.003	0.003	0.000	0.000	0.000	0.000
372	372	LEU	0	0.014	0.005	43.020	-0.004	-0.004	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.075	-0.045	45.303	-0.002	-0.002	0.000	0.000	0.000	0.000
374	374	VAL	0	0.053	0.010	41.958	-0.001	-0.001	0.000	0.000	0.000	0.000
375	375	ALA	0	-0.047	-0.028	43.833	-0.003	-0.003	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.872	-0.924	45.811	-0.074	-0.074	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.082	-0.021	38.926	-0.002	-0.002	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.858	-0.915	37.915	-0.105	-0.105	0.000	0.000	0.000	0.000
379	379	A	0	-0.322	-0.255	14.836	-0.014	-0.014	0.000	0.000	0.000	0.000
380	379	A	-1	-0.539	-0.653	11.639	-0.049	-0.049	0.000	0.000	0.000	0.000
381	380	G	0	-0.357	-0.309	15.577	-0.021	-0.021	0.000	0.000	0.000	0.000
382	380	G	-1	-0.530	-0.630	13.559	-0.117	-0.117	0.000	0.000	0.000	0.000
383	381	A	0	-0.378	-0.312	15.994	-0.018	-0.018	0.000	0.000	0.000	0.000
384	381	A	-1	-0.610	-0.669	14.806	-0.264	-0.264	0.000	0.000	0.000	0.000
385	382	G	0	-0.338	-0.300	12.833	0.009	0.009	0.000	0.000	0.000	0.000
386	382	G	-1	-0.494	-0.638	15.820	-0.392	-0.392	0.000	0.000	0.000	0.000
387	383	A	0	-0.343	-0.303	9.595	-0.066	-0.066	0.000	0.000	0.000	0.000
388	383	A	-1	-0.470	-0.562	11.643	-0.593	-0.593	0.000	0.000	0.000	0.000
389	384	A	0	-0.356	-0.305	7.075	-0.166	-0.166	0.000	0.000	0.000	0.000
390	384	A	-1	-0.460	-0.568	7.184	-0.922	-0.922	0.000	0.000	0.000	0.000
395	387	A	0	-0.344	-0.295	6.361	0.111	0.111	0.000	0.000	0.000	0.000
396	387	A	-1	-0.634	-0.706	5.959	-0.850	-0.850	0.000	0.000	0.000	0.000
397	388	G	0	-0.367	-0.298	9.779	0.206	0.206	0.000	0.000	0.000	0.000
398	388	G	0	0.247	0.203	8.242	0.038	0.038	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #399(:389:V6D)