FMO DATABASE

FMODB ID: N9KKQ

Calculation Name: 6XKI-A-MD433-79ns

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	-7621909.947011
FMO2-HF: Nuclear repulsion	7452855.358832
FMO2-HF: Total energy	-169054.58818
FMO2-MP2: Total energy	-169532.010876

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.
-293.602155	-240.860974	62.745964	-27.744081	-87.743064	0.130293

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.
-49.133	-13.393	26.732	-14.519	-47.955	-0.05

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 : -0.079 / 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	0.026	0.000	3.385	-0.710	0.007	0.058	-0.146	-0.630	0.000
132	132	GLY	0	0.027	0.023	2.653	-2.390	0.158	2.217	-2.018	-2.748	-0.001
133	133	ARG	1	0.844	0.880	2.535	-2.583	-1.245	1.010	-0.019	-2.329	-0.021
134	134	VAL	0	0.019	0.014	5.142	-0.259	-0.116	-0.001	-0.010	-0.132	0.000
135	135	PHE	0	-0.006	-0.007	2.289	-9.441	-2.566	7.800	-3.273	-11.402	0.002
136	136	ASP	-1	-0.803	-0.869	2.687	-6.627	-3.936	0.518	-1.172	-2.037	-0.004
137	137	MET	0	-0.026	-0.022	3.398	0.957	1.099	0.026	0.164	-0.333	0.000
139	139	ASN	0	-0.039	-0.012	2.608	0.199	1.202	0.531	-0.379	-1.155	-0.002
140	140	ARG	1	0.769	0.856	4.365	2.120	2.239	-0.001	-0.006	-0.111	0.000
167	167	GLN	0	0.030	0.001	2.642	-8.461	-3.831	5.233	-2.696	-7.168	0.002
168	168	ILE	0	0.024	0.004	3.403	-2.521	-1.739	0.125	0.181	-1.088	-0.002
170	170	ASP	-1	-0.850	-0.925	2.353	-3.647	-1.052	1.770	-1.529	-2.836	-0.011
171	171	ILE	0	-0.029	-0.009	3.255	-0.635	0.548	0.069	-0.221	-1.031	-0.001
172	172	PHE	0	-0.006	-0.004	4.868	0.427	0.449	-0.001	-0.006	-0.015	0.000
391	385	A	0	-0.326	-0.291	3.270	-1.784	-0.842	0.060	-0.326	-0.676	-0.002
392	385	A	-1	-0.453	-0.576	2.621	-3.213	-1.704	0.167	-0.584	-1.092	-0.003
393	386	A	0	-0.354	-0.298	2.852	-7.100	0.363	6.221	-1.951	-11.732	-0.012
394	386	A	-1	-0.561	-0.634	2.679	-2.383	-1.345	0.930	-0.528	-1.440	0.005
1	1	GLU	0	-0.101	-0.064	33.348	0.004	0.004	0.000	0.000	0.000	0.000
2	2	ILE	0	0.004	-0.003	34.544	-0.003	-0.003	0.000	0.000	0.000	0.000
3	3	VAL	0	0.042	0.028	35.074	0.002	0.002	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.896	-0.946	37.108	-0.029	-0.029	0.000	0.000	0.000	0.000
5	5	SER	0	-0.046	-0.060	38.702	-0.004	-0.004	0.000	0.000	0.000	0.000
6	6	PHE	0	0.025	-0.016	31.850	0.000	0.000	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.895	-0.923	35.816	-0.040	-0.040	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.836	-0.899	38.319	-0.029	-0.029	0.000	0.000	0.000	0.000
9	9	MET	0	-0.153	-0.081	32.641	0.001	0.001	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.064	-0.029	33.810	-0.001	-0.001	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.018	-0.004	31.030	-0.002	-0.002	0.000	0.000	0.000	0.000
12	12	SER	0	0.038	0.021	32.744	0.003	0.003	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.867	-0.932	34.545	-0.058	-0.058	0.000	0.000	0.000	0.000
14	14	SER	0	-0.051	-0.034	34.032	-0.004	-0.004	0.000	0.000	0.000	0.000
15	15	LEU	0	0.042	0.015	28.964	-0.006	-0.006	0.000	0.000	0.000	0.000
16	16	LEU	0	0.004	0.007	32.705	-0.004	-0.004	0.000	0.000	0.000	0.000
17	17	ARG	1	0.930	0.965	35.645	0.075	0.075	0.000	0.000	0.000	0.000
18	18	GLY	0	0.032	0.026	32.536	-0.002	-0.002	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.023	-0.021	31.379	-0.004	-0.004	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.021	-0.022	33.554	0.000	0.000	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.034	-0.005	35.003	0.001	0.001	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.059	-0.023	27.198	-0.004	-0.004	0.000	0.000	0.000	0.000
23	23	GLY	0	0.010	0.017	33.196	-0.002	-0.002	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.068	-0.030	29.817	0.003	0.003	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.900	-0.956	35.736	-0.055	-0.055	0.000	0.000	0.000	0.000
26	26	LYS	1	0.934	0.952	37.838	0.048	0.048	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.004	0.025	33.902	-0.004	-0.004	0.000	0.000	0.000	0.000
28	28	SER	0	0.031	-0.001	31.492	0.006	0.006	0.000	0.000	0.000	0.000
29	29	ALA	0	0.037	0.004	33.907	0.002	0.002	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.031	-0.027	27.762	0.004	0.004	0.000	0.000	0.000	0.000
31	31	GLN	0	-0.005	-0.008	28.660	0.006	0.006	0.000	0.000	0.000	0.000
32	32	GLN	0	0.020	0.017	31.058	0.003	0.003	0.000	0.000	0.000	0.000
33	33	ARG	1	0.911	0.963	30.996	0.035	0.035	0.000	0.000	0.000	0.000
34	34	ALA	0	0.016	0.009	27.055	0.004	0.004	0.000	0.000	0.000	0.000
35	35	ILE	0	0.054	0.038	27.490	0.001	0.001	0.000	0.000	0.000	0.000
36	36	LEU	0	0.040	0.031	28.305	0.001	0.001	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.047	-0.043	27.917	0.003	0.003	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.011	0.003	24.186	0.004	0.004	0.000	0.000	0.000	0.000
39	39	ILE	0	0.038	0.028	25.084	0.001	0.001	0.000	0.000	0.000	0.000
40	40	LYS	1	0.871	0.932	27.462	0.010	0.010	0.000	0.000	0.000	0.000
41	41	GLY	0	0.051	0.036	24.098	0.008	0.008	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.069	-0.029	23.377	0.009	0.009	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.793	-0.885	19.645	0.018	0.018	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.069	-0.045	21.112	0.004	0.004	0.000	0.000	0.000	0.000
45	45	ILE	0	-0.004	0.004	20.387	-0.006	-0.006	0.000	0.000	0.000	0.000
46	46	ALA	0	0.005	-0.026	22.264	0.003	0.003	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.008	-0.005	23.424	-0.003	-0.003	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.020	-0.026	24.964	0.005	0.005	0.000	0.000	0.000	0.000
49	49	GLN	0	0.037	0.020	25.330	-0.016	-0.016	0.000	0.000	0.000	0.000
50	50	SER	0	0.009	0.008	24.170	0.000	0.000	0.000	0.000	0.000	0.000
51	51	GLY	0	0.034	0.018	25.721	-0.004	-0.004	0.000	0.000	0.000	0.000
52	52	THR	0	-0.076	-0.045	27.974	0.004	0.004	0.000	0.000	0.000	0.000
53	53	GLY	0	0.079	0.048	28.217	0.004	0.004	0.000	0.000	0.000	0.000
54	54	LYS	1	0.752	0.855	20.114	0.142	0.142	0.000	0.000	0.000	0.000
55	55	THR	0	0.036	0.006	20.916	-0.006	-0.006	0.000	0.000	0.000	0.000
56	56	ALA	0	0.067	0.028	22.969	-0.003	-0.003	0.000	0.000	0.000	0.000
57	57	THR	0	0.017	0.018	24.933	0.006	0.006	0.000	0.000	0.000	0.000
58	58	PHE	0	0.031	0.019	18.710	0.009	0.009	0.000	0.000	0.000	0.000
59	59	ALA	0	0.020	0.023	22.363	0.001	0.001	0.000	0.000	0.000	0.000
60	60	ILE	0	0.023	0.006	23.209	0.003	0.003	0.000	0.000	0.000	0.000
61	61	SER	0	-0.036	-0.035	23.610	0.009	0.009	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.010	0.001	18.737	0.006	0.006	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.010	-0.011	22.877	0.006	0.006	0.000	0.000	0.000	0.000
64	64	GLN	0	0.023	0.014	25.614	-0.002	-0.002	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.073	-0.036	23.218	0.017	0.017	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.070	-0.022	21.711	0.003	0.003	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.909	-0.945	25.410	-0.055	-0.055	0.000	0.000	0.000	0.000
68	68	LEU	0	0.040	-0.007	25.909	-0.011	-0.011	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.890	-0.926	27.540	-0.084	-0.084	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.109	-0.041	22.474	0.000	0.000	0.000	0.000	0.000	0.000
71	71	LYS	1	0.943	0.970	23.019	0.119	0.119	0.000	0.000	0.000	0.000
72	72	ALA	0	0.007	-0.011	18.611	-0.011	-0.011	0.000	0.000	0.000	0.000
73	73	THR	0	-0.006	-0.006	15.493	0.001	0.001	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.063	-0.051	17.665	0.031	0.031	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.011	0.002	17.426	0.025	0.025	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.010	-0.002	9.661	-0.033	-0.033	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.021	-0.005	13.779	0.040	0.040	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.012	-0.005	7.229	-0.060	-0.060	0.000	0.000	0.000	0.000
79	79	ALA	0	0.029	0.000	10.399	0.053	0.053	0.000	0.000	0.000	0.000
80	80	PRO	0	0.021	0.011	9.673	-0.098	-0.098	0.000	0.000	0.000	0.000
81	81	THR	0	0.024	0.020	9.667	-0.115	-0.115	0.000	0.000	0.000	0.000
82	82	ARG	1	0.854	0.895	8.237	1.290	1.290	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.785	-0.880	12.266	-0.484	-0.484	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.035	-0.010	14.728	0.051	0.051	0.000	0.000	0.000	0.000
85	85	ALA	0	0.020	0.008	12.799	0.039	0.039	0.000	0.000	0.000	0.000
86	86	GLN	0	0.072	0.019	14.977	0.054	0.054	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.019	0.012	18.101	0.026	0.026	0.000	0.000	0.000	0.000
88	88	ILE	0	0.025	0.016	15.706	0.026	0.026	0.000	0.000	0.000	0.000
89	89	GLN	0	-0.009	-0.012	18.307	0.029	0.029	0.000	0.000	0.000	0.000
90	90	LYS	1	0.960	0.973	20.142	0.255	0.255	0.000	0.000	0.000	0.000
91	91	VAL	0	0.002	0.012	22.997	0.016	0.016	0.000	0.000	0.000	0.000
92	92	VAL	0	-0.003	-0.011	20.398	0.015	0.015	0.000	0.000	0.000	0.000
93	93	MET	0	-0.032	-0.010	22.713	0.008	0.008	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.003	0.011	25.306	0.011	0.011	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.036	-0.025	25.990	0.011	0.011	0.000	0.000	0.000	0.000
96	96	GLY	0	0.024	-0.002	27.569	0.011	0.011	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.938	-0.957	28.570	-0.132	-0.132	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.070	-0.042	30.509	0.005	0.005	0.000	0.000	0.000	0.000
99	99	MET	0	-0.051	-0.023	28.847	0.002	0.002	0.000	0.000	0.000	0.000
100	100	GLY	0	0.032	0.026	29.575	0.004	0.004	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.051	-0.014	25.121	-0.006	-0.006	0.000	0.000	0.000	0.000
102	102	SER	0	0.013	0.006	22.657	-0.014	-0.014	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.061	-0.035	18.664	-0.009	-0.009	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.025	-0.021	13.681	0.058	0.058	0.000	0.000	0.000	0.000
105	105	ALA	0	0.017	0.012	14.279	-0.001	-0.001	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.048	-0.012	9.077	-0.006	-0.006	0.000	0.000	0.000	0.000
107	107	ILE	0	-0.032	-0.018	9.435	-0.026	-0.026	0.000	0.000	0.000	0.000
108	108	GLY	0	0.015	0.006	8.266	0.011	0.011	0.000	0.000	0.000	0.000
109	109	GLY	0	0.040	0.004	8.774	0.127	0.127	0.000	0.000	0.000	0.000
110	110	THR	0	-0.013	0.005	11.666	0.088	0.088	0.000	0.000	0.000	0.000
111	111	ASN	0	0.017	-0.002	11.981	-0.061	-0.061	0.000	0.000	0.000	0.000
112	112	VAL	0	0.084	0.048	7.167	0.008	0.008	0.000	0.000	0.000	0.000
113	113	ARG	1	0.929	0.959	10.420	0.365	0.365	0.000	0.000	0.000	0.000
114	114	ALA	0	0.040	0.014	12.561	0.033	0.033	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.743	-0.848	10.011	-0.756	-0.756	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.014	-0.019	9.249	0.035	0.035	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.052	-0.023	12.067	0.069	0.069	0.000	0.000	0.000	0.000
118	118	LYS	1	0.918	0.971	15.585	0.350	0.350	0.000	0.000	0.000	0.000
119	119	LEU	0	0.018	-0.006	11.535	0.040	0.040	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.012	0.005	15.508	0.029	0.029	0.000	0.000	0.000	0.000
121	121	MET	0	-0.091	-0.040	16.976	0.042	0.042	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.948	-0.987	19.098	-0.220	-0.220	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.019	-0.003	17.841	0.020	0.020	0.000	0.000	0.000	0.000
124	124	PRO	0	0.012	0.028	17.092	0.022	0.022	0.000	0.000	0.000	0.000
125	125	HIS	0	0.079	0.042	18.793	-0.028	-0.028	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.005	0.000	17.913	0.010	0.010	0.000	0.000	0.000	0.000
127	127	ILE	0	-0.003	-0.010	12.156	-0.028	-0.028	0.000	0.000	0.000	0.000
128	128	VAL	0	0.014	0.006	13.844	0.029	0.029	0.000	0.000	0.000	0.000
129	129	GLY	0	0.019	-0.009	10.445	-0.048	-0.048	0.000	0.000	0.000	0.000
130	130	THR	0	-0.002	-0.006	6.784	0.165	0.165	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.009	0.015	6.598	0.277	0.277	0.000	0.000	0.000	0.000
141	141	ARG	1	0.922	0.969	7.493	0.061	0.061	0.000	0.000	0.000	0.000
142	142	TYR	0	0.020	0.008	9.890	0.090	0.090	0.000	0.000	0.000	0.000
143	143	LEU	0	0.023	0.044	9.274	0.045	0.045	0.000	0.000	0.000	0.000
144	144	SER	0	0.023	-0.008	10.682	0.072	0.072	0.000	0.000	0.000	0.000
145	145	PRO	0	0.042	0.015	12.086	-0.013	-0.013	0.000	0.000	0.000	0.000
146	146	LYS	1	0.861	0.928	14.988	-0.045	-0.045	0.000	0.000	0.000	0.000
147	147	TYR	0	0.001	-0.002	16.998	-0.003	-0.003	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.025	0.001	13.558	-0.009	-0.009	0.000	0.000	0.000	0.000
149	149	LYS	1	0.922	0.963	16.704	0.083	0.083	0.000	0.000	0.000	0.000
150	150	MET	0	-0.020	0.013	17.706	0.013	0.013	0.000	0.000	0.000	0.000
151	151	PHE	0	0.013	-0.002	9.005	-0.032	-0.032	0.000	0.000	0.000	0.000
152	152	VAL	0	0.003	-0.005	14.618	0.025	0.025	0.000	0.000	0.000	0.000
153	153	LEU	0	0.000	0.002	10.754	-0.033	-0.033	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.748	-0.876	14.303	-0.136	-0.136	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.837	-0.900	14.769	-0.193	-0.193	0.000	0.000	0.000	0.000
156	156	ALA	0	0.000	-0.011	14.541	0.003	0.003	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.780	-0.841	14.677	-0.062	-0.062	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.906	-0.952	12.313	-0.149	-0.149	0.000	0.000	0.000	0.000
159	159	MET	0	-0.052	-0.017	8.339	0.007	0.007	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.027	-0.024	10.344	0.102	0.102	0.000	0.000	0.000	0.000
161	161	SER	0	0.020	0.026	12.648	0.032	0.032	0.000	0.000	0.000	0.000
162	162	ARG	1	0.750	0.833	11.034	-0.049	-0.049	0.000	0.000	0.000	0.000
163	163	GLY	0	0.064	0.050	8.348	0.088	0.088	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.053	-0.031	5.513	0.110	0.110	0.000	0.000	0.000	0.000
165	165	LYS	1	0.880	0.938	7.502	-0.021	-0.021	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.877	-0.926	5.344	0.291	0.291	0.000	0.000	0.000	0.000
169	169	TYR	0	0.007	-0.001	6.206	-0.262	-0.262	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.025	-0.014	7.722	0.117	0.117	0.000	0.000	0.000	0.000
174	174	LYS	1	0.798	0.905	4.816	-1.889	-1.889	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.029	-0.001	9.488	-0.038	-0.038	0.000	0.000	0.000	0.000
176	176	ASN	0	0.031	0.030	11.795	0.038	0.038	0.000	0.000	0.000	0.000
177	177	SER	0	0.053	0.028	15.476	-0.027	-0.027	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.106	-0.067	16.733	-0.018	-0.018	0.000	0.000	0.000	0.000
179	179	THR	0	-0.067	-0.040	14.304	-0.025	-0.025	0.000	0.000	0.000	0.000
180	180	GLN	0	0.000	0.004	17.258	-0.001	-0.001	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.033	-0.030	14.356	-0.020	-0.020	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.022	-0.012	16.969	0.008	0.008	0.000	0.000	0.000	0.000
183	183	LEU	0	-0.005	-0.001	15.267	-0.014	-0.014	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.020	-0.008	18.139	0.008	0.008	0.000	0.000	0.000	0.000
185	185	SER	0	-0.020	-0.036	18.671	-0.017	-0.017	0.000	0.000	0.000	0.000
186	186	ALA	0	0.037	0.031	20.909	0.010	0.010	0.000	0.000	0.000	0.000
187	187	THR	0	-0.009	0.011	20.557	0.006	0.006	0.000	0.000	0.000	0.000
188	188	MET	0	0.006	-0.018	18.794	-0.001	-0.001	0.000	0.000	0.000	0.000
189	189	PRO	0	0.038	0.030	20.788	0.006	0.006	0.000	0.000	0.000	0.000
190	190	SER	0	0.023	-0.003	22.546	0.004	0.004	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.879	-0.933	21.280	0.050	0.050	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.009	-0.006	17.155	0.013	0.013	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.039	-0.021	18.531	0.008	0.008	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.830	-0.898	19.490	0.077	0.077	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.030	-0.014	13.401	0.016	0.016	0.000	0.000	0.000	0.000
196	196	THR	0	0.058	0.009	15.156	0.008	0.008	0.000	0.000	0.000	0.000
197	197	LYS	1	0.831	0.922	16.885	-0.080	-0.080	0.000	0.000	0.000	0.000
198	198	LYS	1	0.863	0.945	10.580	-0.179	-0.179	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.017	-0.013	9.487	0.013	0.013	0.000	0.000	0.000	0.000
200	200	MET	0	-0.012	0.003	14.735	-0.003	-0.003	0.000	0.000	0.000	0.000
201	201	ARG	1	0.914	0.946	18.506	-0.120	-0.120	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.925	-0.954	21.832	0.056	0.056	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.014	0.013	21.775	-0.003	-0.003	0.000	0.000	0.000	0.000
204	204	ILE	0	0.027	0.010	24.082	-0.001	-0.001	0.000	0.000	0.000	0.000
205	205	ARG	1	0.944	0.966	24.811	-0.024	-0.024	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.037	-0.008	26.130	0.000	0.000	0.000	0.000	0.000	0.000
207	207	LEU	0	0.015	0.002	24.494	-0.003	-0.003	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.002	-0.007	27.999	0.001	0.001	0.000	0.000	0.000	0.000
209	209	LYS	1	0.961	0.978	28.898	0.006	0.006	0.000	0.000	0.000	0.000
210	210	LYS	1	0.858	0.907	29.994	0.016	0.016	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.791	-0.871	30.969	-0.026	-0.026	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.898	-0.936	31.936	-0.034	-0.034	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.077	-0.042	26.205	-0.005	-0.005	0.000	0.000	0.000	0.000
214	214	THR	0	-0.012	-0.002	29.273	-0.008	-0.008	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.036	-0.018	27.860	-0.002	-0.002	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.886	-0.935	32.258	-0.050	-0.050	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.050	-0.026	34.404	-0.006	-0.006	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.084	-0.046	30.749	0.001	0.001	0.000	0.000	0.000	0.000
219	219	ARG	1	0.787	0.887	34.897	0.072	0.072	0.000	0.000	0.000	0.000
220	220	GLN	0	0.039	0.020	32.473	-0.006	-0.006	0.000	0.000	0.000	0.000
221	221	PHE	0	0.058	0.029	35.159	0.004	0.004	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.047	-0.034	34.869	-0.004	-0.004	0.000	0.000	0.000	0.000
223	223	ILE	0	0.048	0.024	36.137	0.003	0.003	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.019	-0.018	36.586	-0.003	-0.003	0.000	0.000	0.000	0.000
225	225	VAL	0	0.005	0.000	35.354	0.001	0.001	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.942	-0.950	38.399	-0.029	-0.029	0.000	0.000	0.000	0.000
227	227	ARG	1	0.861	0.894	37.036	0.038	0.038	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.739	-0.868	30.654	-0.072	-0.072	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.953	-0.973	34.379	-0.044	-0.044	0.000	0.000	0.000	0.000
230	230	TRP	0	0.039	0.030	36.654	-0.001	-0.001	0.000	0.000	0.000	0.000
231	231	LYS	1	0.791	0.897	28.660	0.077	0.077	0.000	0.000	0.000	0.000
232	232	LEU	0	0.009	-0.006	32.689	-0.004	-0.004	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.807	-0.900	34.749	-0.061	-0.061	0.000	0.000	0.000	0.000
234	234	THR	0	0.034	0.018	36.389	0.001	0.001	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.046	-0.033	31.227	-0.002	-0.002	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.083	-0.051	35.371	-0.004	-0.004	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.898	-0.923	38.096	-0.058	-0.058	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.030	-0.026	34.012	-0.001	-0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	0.008	0.000	33.746	-0.003	-0.003	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.857	-0.923	36.872	-0.072	-0.072	0.000	0.000	0.000	0.000
241	241	THR	0	-0.049	-0.036	35.975	-0.001	-0.001	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.014	0.002	32.883	-0.003	-0.003	0.000	0.000	0.000	0.000
243	243	THR	0	-0.045	-0.030	36.673	-0.002	-0.002	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.015	0.001	39.158	0.001	0.001	0.000	0.000	0.000	0.000
245	245	THR	0	-0.085	-0.052	34.104	-0.004	-0.004	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.034	-0.016	28.158	0.007	0.007	0.000	0.000	0.000	0.000
247	247	ALA	0	0.015	-0.003	30.012	0.002	0.002	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.015	-0.011	23.636	-0.009	-0.009	0.000	0.000	0.000	0.000
249	249	ILE	0	0.012	0.009	25.856	0.011	0.011	0.000	0.000	0.000	0.000
250	250	PHE	0	0.019	0.006	20.185	-0.012	-0.012	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.046	-0.027	21.996	0.020	0.020	0.000	0.000	0.000	0.000
252	252	ASN	0	0.020	-0.011	20.563	-0.027	-0.027	0.000	0.000	0.000	0.000
253	253	THR	0	-0.027	-0.009	18.836	0.000	0.000	0.000	0.000	0.000	0.000
254	254	ARG	1	0.882	0.907	11.069	0.517	0.517	0.000	0.000	0.000	0.000
255	255	ARG	1	0.980	0.992	18.750	0.092	0.092	0.000	0.000	0.000	0.000
256	256	LYS	1	0.770	0.863	21.695	0.099	0.099	0.000	0.000	0.000	0.000
257	257	VAL	0	0.076	0.035	20.596	0.010	0.010	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.834	-0.886	21.615	-0.201	-0.201	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.096	-0.037	24.189	0.013	0.013	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.001	-0.010	26.681	0.008	0.008	0.000	0.000	0.000	0.000
261	261	THR	0	-0.004	-0.020	25.467	0.001	0.001	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.918	-0.961	28.086	-0.109	-0.109	0.000	0.000	0.000	0.000
263	263	LYS	1	0.862	0.936	30.544	0.098	0.098	0.000	0.000	0.000	0.000
264	264	MET	0	-0.003	-0.004	31.358	0.008	0.008	0.000	0.000	0.000	0.000
265	265	HIS	0	0.025	0.021	32.208	0.001	0.001	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.034	-0.013	33.968	0.004	0.004	0.000	0.000	0.000	0.000
267	267	ARG	1	0.768	0.871	36.158	0.072	0.072	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.916	-0.935	37.395	-0.073	-0.073	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.033	-0.022	34.939	0.001	0.001	0.000	0.000	0.000	0.000
270	270	THR	0	-0.045	-0.017	33.903	-0.007	-0.007	0.000	0.000	0.000	0.000
271	271	VAL	0	0.033	0.006	28.629	0.000	0.000	0.000	0.000	0.000	0.000
272	272	SER	0	-0.008	0.008	25.847	-0.009	-0.009	0.000	0.000	0.000	0.000
273	273	ALA	0	0.037	0.014	23.064	0.006	0.006	0.000	0.000	0.000	0.000
274	274	MET	0	-0.044	-0.020	17.364	-0.029	-0.029	0.000	0.000	0.000	0.000
275	275	HIS	0	-0.003	-0.027	16.619	-0.023	-0.023	0.000	0.000	0.000	0.000
276	276	GLY	0	0.041	0.001	12.940	-0.023	-0.023	0.000	0.000	0.000	0.000
277	277	ASP	-1	-0.906	-0.936	13.199	-0.397	-0.397	0.000	0.000	0.000	0.000
278	278	MET	0	-0.085	-0.017	15.489	0.013	0.013	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.809	-0.921	14.659	-0.582	-0.582	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.013	-0.010	13.598	-0.032	-0.032	0.000	0.000	0.000	0.000
281	281	LYS	1	0.814	0.893	15.527	0.344	0.344	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.821	-0.894	18.694	-0.257	-0.257	0.000	0.000	0.000	0.000
283	283	ARG	1	0.766	0.837	11.537	0.735	0.735	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.820	-0.887	18.416	-0.307	-0.307	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.023	-0.013	19.970	0.028	0.028	0.000	0.000	0.000	0.000
286	286	ILE	0	0.037	0.019	21.613	0.022	0.022	0.000	0.000	0.000	0.000
287	287	MET	0	-0.003	0.009	19.476	0.031	0.031	0.000	0.000	0.000	0.000
288	288	ARG	1	0.775	0.862	22.365	0.292	0.292	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.852	-0.915	25.181	-0.151	-0.151	0.000	0.000	0.000	0.000
290	290	PHE	0	0.029	0.021	24.467	0.013	0.013	0.000	0.000	0.000	0.000
291	291	ARG	1	0.863	0.909	20.940	0.254	0.254	0.000	0.000	0.000	0.000
292	292	SER	0	-0.077	-0.033	27.097	0.013	0.013	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.038	-0.012	29.899	0.010	0.010	0.000	0.000	0.000	0.000
294	294	SER	0	-0.023	-0.001	30.992	0.013	0.013	0.000	0.000	0.000	0.000
295	295	SER	0	-0.001	0.004	27.792	0.010	0.010	0.000	0.000	0.000	0.000
296	296	ARG	1	0.875	0.934	30.530	0.103	0.103	0.000	0.000	0.000	0.000
297	297	VAL	0	0.016	-0.008	29.264	0.003	0.003	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.022	0.008	21.755	-0.006	-0.006	0.000	0.000	0.000	0.000
299	299	ILE	0	0.000	0.001	23.939	0.004	0.004	0.000	0.000	0.000	0.000
300	300	THR	0	-0.013	-0.027	19.344	-0.033	-0.033	0.000	0.000	0.000	0.000
301	301	THR	0	0.026	-0.005	16.006	0.026	0.026	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.797	-0.889	16.168	-0.173	-0.173	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.022	0.007	12.927	-0.017	-0.017	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.020	-0.018	15.002	-0.014	-0.014	0.000	0.000	0.000	0.000
305	305	ALA	0	0.015	0.015	17.227	0.032	0.032	0.000	0.000	0.000	0.000
306	306	ARG	1	0.812	0.866	15.715	0.165	0.165	0.000	0.000	0.000	0.000
307	307	GLY	0	0.033	0.021	18.154	-0.022	-0.022	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.047	-0.021	17.801	0.008	0.008	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.837	-0.915	21.075	-0.141	-0.141	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.037	-0.022	23.942	-0.004	-0.004	0.000	0.000	0.000	0.000
311	311	GLN	0	0.024	0.004	26.346	0.014	0.014	0.000	0.000	0.000	0.000
312	312	GLN	0	0.001	-0.007	29.819	0.006	0.006	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.017	0.015	26.967	0.007	0.007	0.000	0.000	0.000	0.000
314	314	SER	0	-0.013	-0.012	30.186	0.003	0.003	0.000	0.000	0.000	0.000
315	315	LEU	0	0.026	0.017	31.776	0.003	0.003	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.018	-0.010	26.523	-0.009	-0.009	0.000	0.000	0.000	0.000
317	317	ILE	0	0.041	0.022	28.439	0.009	0.009	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.006	-0.008	25.731	-0.021	-0.021	0.000	0.000	0.000	0.000
319	319	TYR	0	0.055	0.019	27.175	0.009	0.009	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.768	-0.871	24.613	-0.095	-0.095	0.000	0.000	0.000	0.000
321	321	LEU	0	0.044	0.025	25.597	-0.009	-0.009	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.012	0.029	22.529	0.003	0.003	0.000	0.000	0.000	0.000
323	323	THR	0	0.031	-0.010	23.084	0.011	0.011	0.000	0.000	0.000	0.000
324	324	ASN	0	0.008	0.014	18.902	0.005	0.005	0.000	0.000	0.000	0.000
325	325	ARG	1	0.957	0.942	22.594	0.009	0.009	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.918	-0.936	21.574	-0.040	-0.040	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.085	-0.069	18.448	-0.001	-0.001	0.000	0.000	0.000	0.000
328	328	TYR	0	0.019	-0.001	21.161	-0.013	-0.013	0.000	0.000	0.000	0.000
329	329	ILE	0	0.020	0.012	24.559	-0.006	-0.006	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.054	-0.038	20.757	-0.014	-0.014	0.000	0.000	0.000	0.000
331	331	ARG	1	0.828	0.901	20.538	0.131	0.131	0.000	0.000	0.000	0.000
332	332	ILE	0	0.017	0.003	23.290	-0.004	-0.004	0.000	0.000	0.000	0.000
333	333	GLY	0	-0.004	0.009	25.535	0.002	0.002	0.000	0.000	0.000	0.000
334	334	ARG	1	0.780	0.884	21.189	0.168	0.168	0.000	0.000	0.000	0.000
335	335	GLY	0	0.018	0.019	25.287	-0.003	-0.003	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.018	-0.017	29.161	0.001	0.001	0.000	0.000	0.000	0.000
337	337	ARG	1	0.789	0.911	26.285	0.131	0.131	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.031	-0.035	30.426	0.004	0.004	0.000	0.000	0.000	0.000
339	339	GLY	0	0.032	0.026	32.659	0.004	0.004	0.000	0.000	0.000	0.000
340	340	ARG	1	0.864	0.942	33.414	0.112	0.112	0.000	0.000	0.000	0.000
341	341	LYS	1	0.979	0.989	35.135	0.058	0.058	0.000	0.000	0.000	0.000
342	342	GLY	0	0.074	0.036	33.324	0.001	0.001	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.016	0.006	33.356	0.006	0.006	0.000	0.000	0.000	0.000
344	344	ALA	0	0.011	0.007	30.853	-0.008	-0.008	0.000	0.000	0.000	0.000
345	345	ILE	0	0.019	0.013	31.699	0.007	0.007	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.015	-0.008	30.235	-0.013	-0.013	0.000	0.000	0.000	0.000
347	347	MET	0	-0.003	0.008	31.426	0.003	0.003	0.000	0.000	0.000	0.000
348	348	VAL	0	0.002	0.005	31.592	-0.002	-0.002	0.000	0.000	0.000	0.000
349	349	THR	0	0.049	0.038	33.091	0.003	0.003	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.770	-0.876	35.424	-0.028	-0.028	0.000	0.000	0.000	0.000
351	351	GLU	-1	-1.000	-0.995	34.014	-0.018	-0.018	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.875	-0.942	30.768	-0.050	-0.050	0.000	0.000	0.000	0.000
353	353	LYS	1	0.845	0.901	32.419	0.029	0.029	0.000	0.000	0.000	0.000
354	354	ARG	1	0.892	0.941	33.108	0.019	0.019	0.000	0.000	0.000	0.000
355	355	THR	0	0.040	0.019	27.738	0.003	0.003	0.000	0.000	0.000	0.000
356	356	LEU	0	0.024	0.018	30.903	-0.002	-0.002	0.000	0.000	0.000	0.000
357	357	ARG	1	0.895	0.942	32.568	0.024	0.024	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.834	-0.876	30.537	-0.017	-0.017	0.000	0.000	0.000	0.000
359	359	ILE	0	0.010	-0.004	27.608	0.001	0.001	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.815	-0.890	31.274	-0.034	-0.034	0.000	0.000	0.000	0.000
361	361	THR	0	-0.084	-0.069	34.921	0.003	0.003	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.031	-0.003	28.396	0.004	0.004	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.050	-0.062	26.316	0.003	0.003	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.083	-0.032	33.202	0.001	0.001	0.000	0.000	0.000	0.000
365	365	THR	0	-0.027	-0.025	34.657	-0.001	-0.001	0.000	0.000	0.000	0.000
366	366	SER	0	-0.009	-0.003	35.990	-0.001	-0.001	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.070	-0.017	33.612	-0.004	-0.004	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.896	-0.954	36.981	-0.037	-0.037	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.933	-0.972	39.275	-0.040	-0.040	0.000	0.000	0.000	0.000
370	370	MET	0	-0.045	-0.011	38.323	-0.003	-0.003	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.008	0.008	40.735	0.002	0.002	0.000	0.000	0.000	0.000
372	372	LEU	0	0.006	-0.019	42.167	-0.003	-0.003	0.000	0.000	0.000	0.000
373	373	ASN	0	0.004	0.011	43.935	-0.003	-0.003	0.000	0.000	0.000	0.000
374	374	VAL	0	0.045	0.014	40.562	0.000	0.000	0.000	0.000	0.000	0.000
375	375	ALA	0	-0.051	-0.029	42.760	-0.002	-0.002	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.944	-0.969	44.992	-0.046	-0.046	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.097	-0.036	38.232	-0.001	-0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.858	-0.919	37.164	-0.068	-0.068	0.000	0.000	0.000	0.000
379	379	A	0	-0.364	-0.302	17.981	-0.014	-0.014	0.000	0.000	0.000	0.000
380	379	A	-1	-0.532	-0.623	13.409	0.223	0.223	0.000	0.000	0.000	0.000
381	380	G	0	-0.362	-0.312	17.056	-0.009	-0.009	0.000	0.000	0.000	0.000
382	380	G	-1	-0.542	-0.632	15.208	0.136	0.136	0.000	0.000	0.000	0.000
383	381	A	0	-0.381	-0.322	15.736	-0.015	-0.015	0.000	0.000	0.000	0.000
384	381	A	-1	-0.588	-0.662	16.589	0.004	0.004	0.000	0.000	0.000	0.000
385	382	G	0	-0.306	-0.271	12.429	0.073	0.073	0.000	0.000	0.000	0.000
386	382	G	-1	-0.540	-0.659	15.358	-0.181	-0.181	0.000	0.000	0.000	0.000
387	383	A	0	-0.344	-0.302	8.879	-0.012	-0.012	0.000	0.000	0.000	0.000
388	383	A	-1	-0.454	-0.554	11.180	-0.415	-0.415	0.000	0.000	0.000	0.000
389	384	A	0	-0.345	-0.301	6.607	-0.195	-0.195	0.000	0.000	0.000	0.000
390	384	A	-1	-0.452	-0.572	7.505	-0.641	-0.641	0.000	0.000	0.000	0.000
395	387	A	0	-0.340	-0.297	6.607	0.050	0.050	0.000	0.000	0.000	0.000
396	387	A	-1	-0.593	-0.643	6.572	-0.269	-0.269	0.000	0.000	0.000	0.000
397	388	G	0	-0.364	-0.313	10.426	0.087	0.087	0.000	0.000	0.000	0.000
398	388	G	0	0.302	0.213	7.893	-0.041	-0.041	0.000	0.000	0.000	0.000

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