FMO DATABASE

FMODB ID: 6NKVZ

Calculation Name: 6XKI-A-MD433-85ns

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	-7616215.63043
FMO2-HF: Nuclear repulsion	7447012.167205
FMO2-HF: Total energy	-169203.463225
FMO2-MP2: Total energy	-169681.165807

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.
-292.028858	-246.230099	45.255619	-20.438504	-70.615874	0.064964

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.
-59.02	-24.864	39.025	-17.101	-56.073	-0.059

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 : -0.090 / q_NPA : -0.030

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	0.043	0.006	3.150	-0.859	0.107	0.189	-0.222	-0.933	0.000
132	132	GLY	0	0.041	0.029	2.287	-2.970	-0.075	4.898	-3.634	-4.158	-0.006
133	133	ARG	1	0.828	0.881	2.666	0.699	-0.072	0.709	2.227	-2.164	-0.016
134	134	VAL	0	0.019	0.005	5.236	-0.362	-0.221	-0.001	-0.014	-0.125	0.000
135	135	PHE	0	0.006	-0.002	2.359	-11.447	-5.295	11.929	-4.681	-13.400	0.014
136	136	ASP	-1	-0.895	-0.939	2.481	-9.319	-6.002	1.179	-1.644	-2.851	-0.005
137	137	MET	0	-0.011	-0.014	3.170	0.708	0.568	0.045	0.445	-0.349	0.000
139	139	ASN	0	-0.099	-0.049	2.491	-3.271	-1.395	1.210	-0.846	-2.240	-0.003
140	140	ARG	1	0.941	0.978	4.496	1.134	1.231	-0.001	-0.011	-0.085	0.000
167	167	GLN	0	-0.014	-0.009	2.760	-7.799	-4.466	7.943	-3.415	-7.861	0.013
168	168	ILE	0	0.010	0.003	3.246	-2.172	-2.433	0.118	1.546	-1.403	-0.003
170	170	ASP	-1	-0.849	-0.929	2.424	-6.172	-1.711	2.293	-2.763	-3.990	-0.033
171	171	ILE	0	-0.053	-0.026	3.017	-0.833	0.540	0.266	-0.286	-1.352	-0.001
172	172	PHE	0	-0.035	-0.025	4.938	0.169	0.184	-0.001	-0.005	-0.009	0.000
391	385	G	0	-0.340	-0.295	2.745	-2.375	-1.204	0.136	-0.332	-0.975	-0.003
392	385	G	-1	-0.458	-0.577	2.837	-2.804	-1.403	0.123	-0.485	-1.039	-0.002
393	386	A	0	-0.338	-0.289	2.840	-8.945	-1.754	7.468	-2.513	-12.146	-0.016
394	386	A	-1	-0.591	-0.674	2.572	-1.488	-0.549	0.522	-0.468	-0.993	0.002
1	1	GLU	0	-0.081	-0.051	41.612	-0.005	-0.005	0.000	0.000	0.000	0.000
2	2	ILE	0	-0.066	-0.044	35.803	0.003	0.003	0.000	0.000	0.000	0.000
3	3	VAL	0	0.024	0.020	36.998	-0.002	-0.002	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.873	-0.937	38.999	0.009	0.009	0.000	0.000	0.000	0.000
5	5	SER	0	0.019	0.009	38.840	-0.003	-0.003	0.000	0.000	0.000	0.000
6	6	PHE	0	-0.002	-0.025	31.428	0.004	0.004	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.785	-0.860	36.108	0.001	0.001	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.936	-0.963	38.910	0.015	0.015	0.000	0.000	0.000	0.000
9	9	MET	0	-0.149	-0.073	31.767	0.004	0.004	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.083	-0.038	34.753	0.001	0.001	0.000	0.000	0.000	0.000
11	11	LEU	0	0.024	0.020	30.730	0.003	0.003	0.000	0.000	0.000	0.000
12	12	SER	0	0.001	0.008	32.803	-0.004	-0.004	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.845	-0.940	34.663	-0.010	-0.010	0.000	0.000	0.000	0.000
14	14	SER	0	-0.101	-0.053	33.859	-0.004	-0.004	0.000	0.000	0.000	0.000
15	15	LEU	0	0.011	0.006	28.642	-0.004	-0.004	0.000	0.000	0.000	0.000
16	16	LEU	0	0.016	0.001	32.082	-0.004	-0.004	0.000	0.000	0.000	0.000
17	17	ARG	1	0.923	0.978	34.681	0.021	0.021	0.000	0.000	0.000	0.000
18	18	GLY	0	0.052	0.019	32.118	-0.004	-0.004	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.031	-0.013	30.281	-0.004	-0.004	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.019	-0.054	32.588	-0.003	-0.003	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.032	0.005	34.678	-0.002	-0.002	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.048	-0.030	27.349	-0.008	-0.008	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.001	0.007	33.153	-0.002	-0.002	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.115	-0.055	28.723	0.003	0.003	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.885	-0.954	34.797	-0.013	-0.013	0.000	0.000	0.000	0.000
26	26	LYS	1	0.965	0.981	36.286	0.006	0.006	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.004	0.023	33.187	-0.002	-0.002	0.000	0.000	0.000	0.000
28	28	SER	0	-0.001	-0.020	30.252	0.003	0.003	0.000	0.000	0.000	0.000
29	29	ALA	0	0.019	-0.016	33.020	0.004	0.004	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.019	-0.018	27.341	0.005	0.005	0.000	0.000	0.000	0.000
31	31	GLN	0	0.035	0.021	27.919	0.006	0.006	0.000	0.000	0.000	0.000
32	32	GLN	0	0.068	0.041	29.727	0.002	0.002	0.000	0.000	0.000	0.000
33	33	ARG	1	0.890	0.937	30.878	-0.038	-0.038	0.000	0.000	0.000	0.000
34	34	ALA	0	0.020	0.021	25.556	0.008	0.008	0.000	0.000	0.000	0.000
35	35	ILE	0	0.034	0.015	26.938	0.008	0.008	0.000	0.000	0.000	0.000
36	36	LEU	0	0.024	0.022	27.985	0.005	0.005	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.013	-0.020	27.507	0.004	0.004	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.025	0.005	22.390	0.008	0.008	0.000	0.000	0.000	0.000
39	39	ILE	0	0.061	0.029	24.645	0.007	0.007	0.000	0.000	0.000	0.000
40	40	LYS	1	0.840	0.935	27.054	-0.073	-0.073	0.000	0.000	0.000	0.000
41	41	GLY	0	0.059	0.028	23.907	0.004	0.004	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.044	-0.014	22.898	0.015	0.015	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.704	-0.825	19.350	0.222	0.222	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.042	-0.030	20.372	-0.013	-0.013	0.000	0.000	0.000	0.000
45	45	ILE	0	0.018	0.011	19.781	0.010	0.010	0.000	0.000	0.000	0.000
46	46	ALA	0	0.019	-0.003	21.548	-0.013	-0.013	0.000	0.000	0.000	0.000
47	47	GLN	0	0.013	0.003	22.616	0.003	0.003	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.024	-0.013	23.952	-0.009	-0.009	0.000	0.000	0.000	0.000
49	49	GLN	0	0.032	0.005	24.745	-0.009	-0.009	0.000	0.000	0.000	0.000
50	50	SER	0	-0.014	0.004	26.046	-0.004	-0.004	0.000	0.000	0.000	0.000
51	51	GLY	0	0.091	0.051	27.322	0.001	0.001	0.000	0.000	0.000	0.000
52	52	THR	0	-0.061	-0.051	28.023	0.004	0.004	0.000	0.000	0.000	0.000
53	53	GLY	0	0.051	0.044	27.266	0.003	0.003	0.000	0.000	0.000	0.000
54	54	LYS	1	0.820	0.908	19.400	0.003	0.003	0.000	0.000	0.000	0.000
55	55	THR	0	0.041	0.008	21.409	0.011	0.011	0.000	0.000	0.000	0.000
56	56	ALA	0	0.041	0.019	22.604	0.004	0.004	0.000	0.000	0.000	0.000
57	57	THR	0	-0.026	-0.024	24.010	0.006	0.006	0.000	0.000	0.000	0.000
58	58	PHE	0	0.022	0.017	18.578	0.009	0.009	0.000	0.000	0.000	0.000
59	59	ALA	0	0.013	0.003	21.866	0.004	0.004	0.000	0.000	0.000	0.000
60	60	ILE	0	0.037	0.022	23.114	0.000	0.000	0.000	0.000	0.000	0.000
61	61	SER	0	-0.021	-0.038	23.174	0.004	0.004	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.027	-0.005	18.725	0.011	0.011	0.000	0.000	0.000	0.000
63	63	LEU	0	0.014	0.002	22.625	0.002	0.002	0.000	0.000	0.000	0.000
64	64	GLN	0	0.046	0.031	25.439	-0.007	-0.007	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.052	-0.032	22.560	0.010	0.010	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.085	-0.032	20.928	0.009	0.009	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.919	-0.951	24.664	0.026	0.026	0.000	0.000	0.000	0.000
68	68	LEU	0	0.037	0.000	25.932	-0.005	-0.005	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.880	-0.926	27.651	-0.007	-0.007	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.103	-0.048	21.507	0.001	0.001	0.000	0.000	0.000	0.000
71	71	LYS	1	0.934	0.964	21.870	0.060	0.060	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.020	-0.006	17.725	-0.020	-0.020	0.000	0.000	0.000	0.000
73	73	THR	0	-0.012	-0.009	15.665	0.004	0.004	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.011	-0.022	17.276	0.039	0.039	0.000	0.000	0.000	0.000
75	75	ALA	0	0.001	0.005	16.717	0.030	0.030	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.025	-0.005	9.955	-0.028	-0.028	0.000	0.000	0.000	0.000
77	77	VAL	0	0.021	0.003	13.102	0.028	0.028	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.020	-0.001	7.026	-0.013	-0.013	0.000	0.000	0.000	0.000
79	79	ALA	0	0.045	0.013	10.446	0.016	0.016	0.000	0.000	0.000	0.000
80	80	PRO	0	0.016	0.006	9.453	-0.061	-0.061	0.000	0.000	0.000	0.000
81	81	THR	0	0.004	0.003	9.508	-0.139	-0.139	0.000	0.000	0.000	0.000
82	82	ARG	1	0.874	0.916	7.842	1.349	1.349	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.737	-0.850	11.991	-0.412	-0.412	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.029	0.000	14.200	0.045	0.045	0.000	0.000	0.000	0.000
85	85	ALA	0	0.024	0.008	12.492	0.041	0.041	0.000	0.000	0.000	0.000
86	86	GLN	0	0.001	-0.008	14.623	0.063	0.063	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.022	0.012	17.395	0.008	0.008	0.000	0.000	0.000	0.000
88	88	ILE	0	0.006	-0.010	15.824	0.018	0.018	0.000	0.000	0.000	0.000
89	89	GLN	0	0.032	0.006	17.852	0.026	0.026	0.000	0.000	0.000	0.000
90	90	LYS	1	0.906	0.952	19.621	0.201	0.201	0.000	0.000	0.000	0.000
91	91	VAL	0	0.003	0.017	22.628	0.009	0.009	0.000	0.000	0.000	0.000
92	92	VAL	0	0.004	-0.018	20.063	0.011	0.011	0.000	0.000	0.000	0.000
93	93	MET	0	-0.022	0.012	22.325	0.008	0.008	0.000	0.000	0.000	0.000
94	94	ALA	0	0.002	0.010	24.674	0.006	0.006	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.028	-0.020	26.463	0.007	0.007	0.000	0.000	0.000	0.000
96	96	GLY	0	-0.007	-0.004	26.571	0.009	0.009	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.955	-0.961	27.528	-0.073	-0.073	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.003	-0.011	30.158	0.001	0.001	0.000	0.000	0.000	0.000
99	99	MET	0	-0.068	-0.024	28.784	0.003	0.003	0.000	0.000	0.000	0.000
100	100	GLY	0	0.025	0.019	29.792	0.004	0.004	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.053	-0.028	24.831	-0.005	-0.005	0.000	0.000	0.000	0.000
102	102	SER	0	-0.014	-0.029	23.282	-0.010	-0.010	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.059	-0.041	18.493	0.016	0.016	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.020	-0.026	14.372	0.021	0.021	0.000	0.000	0.000	0.000
105	105	ALA	0	0.012	0.005	14.879	0.021	0.021	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.062	-0.008	10.564	-0.082	-0.082	0.000	0.000	0.000	0.000
107	107	ILE	0	-0.004	-0.010	9.265	0.048	0.048	0.000	0.000	0.000	0.000
108	108	GLY	0	0.012	0.013	8.271	-0.057	-0.057	0.000	0.000	0.000	0.000
109	109	GLY	0	0.020	0.012	8.873	0.146	0.146	0.000	0.000	0.000	0.000
110	110	THR	0	-0.030	-0.012	10.753	0.116	0.116	0.000	0.000	0.000	0.000
111	111	ASN	0	0.045	0.017	11.017	-0.146	-0.146	0.000	0.000	0.000	0.000
112	112	VAL	0	0.106	0.051	7.737	0.119	0.119	0.000	0.000	0.000	0.000
113	113	ARG	1	0.940	0.962	10.993	0.524	0.524	0.000	0.000	0.000	0.000
114	114	ALA	0	0.000	-0.006	13.435	0.075	0.075	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.802	-0.892	10.775	-0.574	-0.574	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.007	-0.011	11.752	0.052	0.052	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.014	0.004	14.384	0.053	0.053	0.000	0.000	0.000	0.000
118	118	LYS	1	0.935	0.962	15.889	0.484	0.484	0.000	0.000	0.000	0.000
119	119	LEU	0	0.021	0.015	12.393	0.033	0.033	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.055	-0.040	16.925	0.056	0.056	0.000	0.000	0.000	0.000
121	121	MET	0	-0.082	-0.044	19.284	0.018	0.018	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.852	-0.890	20.535	-0.130	-0.130	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.062	-0.019	20.343	0.021	0.021	0.000	0.000	0.000	0.000
124	124	PRO	0	-0.010	0.029	17.532	0.017	0.017	0.000	0.000	0.000	0.000
125	125	HIS	0	0.086	0.029	19.376	0.003	0.003	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.015	-0.012	17.390	0.029	0.029	0.000	0.000	0.000	0.000
127	127	ILE	0	0.004	-0.007	12.178	-0.040	-0.040	0.000	0.000	0.000	0.000
128	128	VAL	0	0.004	0.009	13.719	0.051	0.051	0.000	0.000	0.000	0.000
129	129	GLY	0	0.033	-0.002	10.338	-0.064	-0.064	0.000	0.000	0.000	0.000
130	130	THR	0	-0.029	-0.037	6.581	0.110	0.110	0.000	0.000	0.000	0.000
138	138	LEU	0	0.020	0.011	6.467	0.127	0.127	0.000	0.000	0.000	0.000
141	141	ARG	1	0.866	0.928	6.557	-0.263	-0.263	0.000	0.000	0.000	0.000
142	142	TYR	0	0.013	0.034	9.115	0.010	0.010	0.000	0.000	0.000	0.000
143	143	LEU	0	0.034	0.025	9.863	0.068	0.068	0.000	0.000	0.000	0.000
144	144	SER	0	-0.005	-0.025	10.760	0.086	0.086	0.000	0.000	0.000	0.000
145	145	PRO	0	0.048	0.009	11.900	-0.041	-0.041	0.000	0.000	0.000	0.000
146	146	LYS	1	0.888	0.958	14.590	-0.184	-0.184	0.000	0.000	0.000	0.000
147	147	TYR	0	0.002	0.002	16.651	-0.023	-0.023	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.032	-0.005	12.224	-0.013	-0.013	0.000	0.000	0.000	0.000
149	149	LYS	1	0.907	0.974	16.172	-0.042	-0.042	0.000	0.000	0.000	0.000
150	150	MET	0	-0.027	-0.006	16.804	0.004	0.004	0.000	0.000	0.000	0.000
151	151	PHE	0	-0.020	-0.019	8.358	-0.013	-0.013	0.000	0.000	0.000	0.000
152	152	VAL	0	0.012	0.003	13.799	0.007	0.007	0.000	0.000	0.000	0.000
153	153	LEU	0	0.003	-0.001	9.274	0.019	0.019	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.773	-0.877	13.376	0.003	0.003	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.833	-0.931	14.122	-0.016	-0.016	0.000	0.000	0.000	0.000
156	156	ALA	0	-0.005	-0.013	14.072	0.016	0.016	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.760	-0.830	14.547	0.123	0.123	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.857	-0.921	12.241	-0.013	-0.013	0.000	0.000	0.000	0.000
159	159	MET	0	-0.055	0.000	8.182	0.047	0.047	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.030	-0.019	10.303	0.168	0.168	0.000	0.000	0.000	0.000
161	161	SER	0	-0.001	-0.006	11.618	-0.013	-0.013	0.000	0.000	0.000	0.000
162	162	ARG	1	0.815	0.870	10.625	-0.061	-0.061	0.000	0.000	0.000	0.000
163	163	GLY	0	0.053	0.053	8.588	0.126	0.126	0.000	0.000	0.000	0.000
164	164	PHE	0	0.033	0.010	6.107	0.192	0.192	0.000	0.000	0.000	0.000
165	165	LYS	1	0.942	0.976	6.634	0.275	0.275	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.899	-0.954	4.804	0.798	0.798	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.024	-0.020	6.038	-0.378	-0.378	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.005	0.001	7.260	-0.095	-0.095	0.000	0.000	0.000	0.000
174	174	LYS	1	0.886	0.965	6.244	-1.602	-1.602	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.024	-0.013	8.195	-0.106	-0.106	0.000	0.000	0.000	0.000
176	176	ASN	0	-0.009	-0.007	10.818	-0.011	-0.011	0.000	0.000	0.000	0.000
177	177	SER	0	0.063	0.032	14.334	-0.036	-0.036	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.048	-0.037	15.569	-0.003	-0.003	0.000	0.000	0.000	0.000
179	179	THR	0	-0.027	-0.001	13.654	-0.033	-0.033	0.000	0.000	0.000	0.000
180	180	GLN	0	0.016	0.014	16.537	0.010	0.010	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.020	-0.018	13.629	0.010	0.010	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.013	-0.018	16.007	-0.021	-0.021	0.000	0.000	0.000	0.000
183	183	LEU	0	0.003	0.006	13.969	0.013	0.013	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.023	-0.008	17.322	-0.019	-0.019	0.000	0.000	0.000	0.000
185	185	SER	0	-0.008	-0.036	18.076	-0.009	-0.009	0.000	0.000	0.000	0.000
186	186	ALA	0	0.029	0.030	20.405	0.004	0.004	0.000	0.000	0.000	0.000
187	187	THR	0	-0.009	0.005	20.365	-0.004	-0.004	0.000	0.000	0.000	0.000
188	188	MET	0	-0.007	-0.018	18.906	0.019	0.019	0.000	0.000	0.000	0.000
189	189	PRO	0	0.058	0.048	20.157	-0.003	-0.003	0.000	0.000	0.000	0.000
190	190	SER	0	-0.021	-0.023	22.387	0.012	0.012	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.885	-0.945	20.731	0.158	0.158	0.000	0.000	0.000	0.000
192	192	VAL	0	0.027	0.026	17.003	0.026	0.026	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.010	-0.018	18.308	0.024	0.024	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.859	-0.894	20.369	0.195	0.195	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.014	0.001	13.853	0.018	0.018	0.000	0.000	0.000	0.000
196	196	THR	0	-0.038	-0.045	15.693	0.022	0.022	0.000	0.000	0.000	0.000
197	197	LYS	1	0.830	0.891	16.834	-0.181	-0.181	0.000	0.000	0.000	0.000
198	198	LYS	1	0.872	0.969	10.539	-0.489	-0.489	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.025	-0.021	9.127	0.029	0.029	0.000	0.000	0.000	0.000
200	200	MET	0	-0.075	-0.009	14.491	-0.011	-0.011	0.000	0.000	0.000	0.000
201	201	ARG	1	0.786	0.859	16.456	-0.274	-0.274	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.974	-0.989	21.452	0.134	0.134	0.000	0.000	0.000	0.000
203	203	PRO	0	0.002	0.018	21.010	-0.009	-0.009	0.000	0.000	0.000	0.000
204	204	ILE	0	0.015	0.005	23.442	-0.010	-0.010	0.000	0.000	0.000	0.000
205	205	ARG	1	0.930	0.965	23.136	-0.144	-0.144	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.017	-0.004	25.832	-0.009	-0.009	0.000	0.000	0.000	0.000
207	207	LEU	0	0.001	-0.006	24.294	0.003	0.003	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.005	-0.002	27.737	-0.005	-0.005	0.000	0.000	0.000	0.000
209	209	LYS	1	0.965	0.983	29.128	-0.041	-0.041	0.000	0.000	0.000	0.000
210	210	LYS	1	0.986	0.978	28.219	-0.066	-0.066	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.953	-0.975	30.436	0.032	0.032	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.923	-0.966	32.463	0.020	0.020	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.100	-0.035	26.553	-0.001	-0.001	0.000	0.000	0.000	0.000
214	214	THR	0	-0.016	-0.012	29.912	-0.007	-0.007	0.000	0.000	0.000	0.000
215	215	LEU	0	0.007	0.009	27.848	0.000	0.000	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.876	-0.941	32.488	-0.009	-0.009	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.056	-0.017	34.772	-0.002	-0.002	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.048	-0.030	30.416	-0.005	-0.005	0.000	0.000	0.000	0.000
219	219	ARG	1	0.901	0.972	34.791	0.033	0.033	0.000	0.000	0.000	0.000
220	220	GLN	0	0.049	0.032	32.530	-0.004	-0.004	0.000	0.000	0.000	0.000
221	221	PHE	0	0.037	0.009	35.136	0.003	0.003	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.039	-0.020	34.926	-0.003	-0.003	0.000	0.000	0.000	0.000
223	223	ILE	0	0.057	0.031	36.427	0.001	0.001	0.000	0.000	0.000	0.000
224	224	ASN	0	0.001	-0.006	37.288	-0.001	-0.001	0.000	0.000	0.000	0.000
225	225	VAL	0	0.053	0.023	35.175	-0.001	-0.001	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.918	-0.943	38.577	-0.024	-0.024	0.000	0.000	0.000	0.000
227	227	ARG	1	0.897	0.923	36.797	0.027	0.027	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.731	-0.842	30.322	-0.065	-0.065	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.975	-0.993	34.370	-0.050	-0.050	0.000	0.000	0.000	0.000
230	230	TRP	0	0.027	0.003	36.515	-0.002	-0.002	0.000	0.000	0.000	0.000
231	231	LYS	1	0.820	0.924	29.397	0.060	0.060	0.000	0.000	0.000	0.000
232	232	LEU	0	0.003	0.005	33.108	-0.004	-0.004	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.839	-0.922	35.191	-0.058	-0.058	0.000	0.000	0.000	0.000
234	234	THR	0	0.009	-0.004	36.853	0.002	0.002	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.040	-0.025	31.671	0.000	0.000	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.100	-0.055	35.839	-0.004	-0.004	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.866	-0.918	38.572	-0.048	-0.048	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.055	-0.032	34.617	0.001	0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.017	-0.049	33.203	-0.003	-0.003	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.930	-0.948	38.242	-0.060	-0.060	0.000	0.000	0.000	0.000
241	241	THR	0	-0.068	-0.032	38.442	0.003	0.003	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.084	-0.034	33.789	-0.001	-0.001	0.000	0.000	0.000	0.000
243	243	THR	0	0.017	0.011	37.272	-0.006	-0.006	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.057	-0.037	38.788	-0.002	-0.002	0.000	0.000	0.000	0.000
245	245	THR	0	-0.014	-0.012	34.975	-0.003	-0.003	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.044	-0.019	28.698	0.003	0.003	0.000	0.000	0.000	0.000
247	247	ALA	0	-0.003	-0.005	30.625	0.005	0.005	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.020	-0.009	24.320	-0.010	-0.010	0.000	0.000	0.000	0.000
249	249	ILE	0	0.021	0.013	26.864	0.012	0.012	0.000	0.000	0.000	0.000
250	250	PHE	0	0.018	0.007	20.388	-0.013	-0.013	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.006	-0.009	22.784	0.015	0.015	0.000	0.000	0.000	0.000
252	252	ASN	0	0.012	-0.007	21.152	-0.019	-0.019	0.000	0.000	0.000	0.000
253	253	THR	0	-0.037	-0.014	19.537	-0.004	-0.004	0.000	0.000	0.000	0.000
254	254	ARG	1	0.955	0.948	11.804	0.523	0.523	0.000	0.000	0.000	0.000
255	255	ARG	1	0.957	0.982	19.526	0.109	0.109	0.000	0.000	0.000	0.000
256	256	LYS	1	0.815	0.887	22.416	0.085	0.085	0.000	0.000	0.000	0.000
257	257	VAL	0	0.050	0.021	21.540	0.008	0.008	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.954	-0.955	22.252	-0.200	-0.200	0.000	0.000	0.000	0.000
259	259	TRP	0	0.015	0.006	24.160	0.011	0.011	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.015	-0.019	27.167	0.006	0.006	0.000	0.000	0.000	0.000
261	261	THR	0	-0.032	-0.030	25.530	0.001	0.001	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.897	-0.944	28.080	-0.146	-0.146	0.000	0.000	0.000	0.000
263	263	LYS	1	0.867	0.943	30.706	0.091	0.091	0.000	0.000	0.000	0.000
264	264	MET	0	0.016	-0.014	31.730	0.009	0.009	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.006	0.013	32.418	0.008	0.008	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.031	-0.017	34.275	0.005	0.005	0.000	0.000	0.000	0.000
267	267	ARG	1	0.791	0.889	36.335	0.074	0.074	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.909	-0.938	37.700	-0.078	-0.078	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.005	-0.001	35.305	0.002	0.002	0.000	0.000	0.000	0.000
270	270	THR	0	-0.036	-0.025	34.113	-0.006	-0.006	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.016	0.003	29.402	0.003	0.003	0.000	0.000	0.000	0.000
272	272	SER	0	0.002	0.005	26.391	-0.010	-0.010	0.000	0.000	0.000	0.000
273	273	ALA	0	0.034	0.018	24.447	0.010	0.010	0.000	0.000	0.000	0.000
274	274	MET	0	-0.041	-0.012	18.445	-0.028	-0.028	0.000	0.000	0.000	0.000
275	275	HIS	0	0.059	0.016	17.423	-0.008	-0.008	0.000	0.000	0.000	0.000
276	276	GLY	0	-0.003	-0.033	13.244	-0.022	-0.022	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.018	-0.997	13.165	-0.518	-0.518	0.000	0.000	0.000	0.000
278	278	MET	0	-0.011	0.025	15.375	-0.011	-0.011	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.872	-0.938	15.484	-0.579	-0.579	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.041	-0.044	13.206	-0.039	-0.039	0.000	0.000	0.000	0.000
281	281	LYS	1	0.902	0.942	15.593	0.390	0.390	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.887	-0.935	19.064	-0.257	-0.257	0.000	0.000	0.000	0.000
283	283	ARG	1	0.800	0.866	11.583	0.695	0.695	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.901	-0.953	18.025	-0.302	-0.302	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.064	-0.032	19.541	0.034	0.034	0.000	0.000	0.000	0.000
286	286	ILE	0	0.040	0.015	21.838	0.024	0.024	0.000	0.000	0.000	0.000
287	287	MET	0	0.006	0.013	19.429	0.033	0.033	0.000	0.000	0.000	0.000
288	288	ARG	1	0.906	0.959	22.429	0.267	0.267	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.852	-0.923	24.879	-0.158	-0.158	0.000	0.000	0.000	0.000
290	290	PHE	0	0.020	0.020	25.130	0.014	0.014	0.000	0.000	0.000	0.000
291	291	ARG	1	0.856	0.902	20.857	0.186	0.186	0.000	0.000	0.000	0.000
292	292	SER	0	-0.035	-0.008	27.043	0.011	0.011	0.000	0.000	0.000	0.000
293	293	GLY	0	0.006	0.011	29.848	0.010	0.010	0.000	0.000	0.000	0.000
294	294	SER	0	-0.135	-0.060	30.827	0.009	0.009	0.000	0.000	0.000	0.000
295	295	SER	0	-0.021	-0.010	28.584	0.002	0.002	0.000	0.000	0.000	0.000
296	296	ARG	1	0.982	0.988	30.462	0.092	0.092	0.000	0.000	0.000	0.000
297	297	VAL	0	0.027	0.001	30.248	0.004	0.004	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.017	0.006	22.714	-0.008	-0.008	0.000	0.000	0.000	0.000
299	299	ILE	0	0.035	0.013	24.645	0.008	0.008	0.000	0.000	0.000	0.000
300	300	THR	0	-0.026	-0.038	19.977	-0.029	-0.029	0.000	0.000	0.000	0.000
301	301	THR	0	0.040	0.013	16.592	0.023	0.023	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.789	-0.884	16.781	-0.108	-0.108	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.021	0.011	13.407	0.002	0.002	0.000	0.000	0.000	0.000
304	304	LEU	0	0.002	-0.014	15.505	0.000	0.000	0.000	0.000	0.000	0.000
305	305	ALA	0	0.017	0.011	17.849	0.025	0.025	0.000	0.000	0.000	0.000
306	306	ARG	1	0.797	0.877	15.528	0.015	0.015	0.000	0.000	0.000	0.000
307	307	GLY	0	0.032	0.016	17.936	-0.023	-0.023	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.049	-0.015	17.718	0.004	0.004	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.809	-0.881	21.004	-0.071	-0.071	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.003	0.008	24.108	-0.009	-0.009	0.000	0.000	0.000	0.000
311	311	GLN	0	-0.007	-0.023	26.513	0.014	0.014	0.000	0.000	0.000	0.000
312	312	GLN	0	0.001	-0.015	29.962	0.009	0.009	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.034	0.001	27.309	0.004	0.004	0.000	0.000	0.000	0.000
314	314	SER	0	0.019	0.014	30.557	0.004	0.004	0.000	0.000	0.000	0.000
315	315	LEU	0	0.023	0.014	32.263	0.005	0.005	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.007	-0.009	26.775	-0.009	-0.009	0.000	0.000	0.000	0.000
317	317	ILE	0	0.008	0.002	29.134	0.008	0.008	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.017	-0.006	26.160	-0.016	-0.016	0.000	0.000	0.000	0.000
319	319	TYR	0	0.042	0.018	27.801	0.007	0.007	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.782	-0.871	25.268	-0.076	-0.076	0.000	0.000	0.000	0.000
321	321	LEU	0	0.035	0.017	26.276	-0.003	-0.003	0.000	0.000	0.000	0.000
322	322	PRO	0	0.007	0.022	22.427	0.001	0.001	0.000	0.000	0.000	0.000
323	323	THR	0	0.021	0.010	22.209	0.008	0.008	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.025	-0.015	19.943	0.003	0.003	0.000	0.000	0.000	0.000
325	325	ARG	1	0.966	0.991	22.051	-0.026	-0.026	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.818	-0.908	21.177	0.057	0.057	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.035	-0.032	18.676	-0.006	-0.006	0.000	0.000	0.000	0.000
328	328	TYR	0	-0.003	-0.012	21.184	-0.016	-0.016	0.000	0.000	0.000	0.000
329	329	ILE	0	0.019	0.004	24.159	-0.008	-0.008	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.066	-0.041	20.730	-0.019	-0.019	0.000	0.000	0.000	0.000
331	331	ARG	1	0.801	0.871	20.834	0.073	0.073	0.000	0.000	0.000	0.000
332	332	ILE	0	0.010	0.009	23.956	-0.007	-0.007	0.000	0.000	0.000	0.000
333	333	GLY	0	0.004	0.014	25.441	-0.001	-0.001	0.000	0.000	0.000	0.000
334	334	ARG	1	0.780	0.887	21.508	0.081	0.081	0.000	0.000	0.000	0.000
335	335	GLY	0	0.013	0.006	25.545	-0.006	-0.006	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.006	-0.004	29.403	0.004	0.004	0.000	0.000	0.000	0.000
337	337	ARG	1	0.760	0.892	25.661	0.071	0.071	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.021	-0.027	30.485	0.002	0.002	0.000	0.000	0.000	0.000
339	339	GLY	0	0.002	0.005	32.535	0.001	0.001	0.000	0.000	0.000	0.000
340	340	ARG	1	0.876	0.949	33.873	0.072	0.072	0.000	0.000	0.000	0.000
341	341	LYS	1	0.930	0.965	35.121	0.038	0.038	0.000	0.000	0.000	0.000
342	342	GLY	0	0.059	0.033	33.756	-0.004	-0.004	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.060	-0.019	33.758	0.005	0.005	0.000	0.000	0.000	0.000
344	344	ALA	0	0.008	0.003	31.077	-0.006	-0.006	0.000	0.000	0.000	0.000
345	345	ILE	0	0.027	0.014	32.200	0.006	0.006	0.000	0.000	0.000	0.000
346	346	ASN	0	0.005	-0.005	30.423	-0.007	-0.007	0.000	0.000	0.000	0.000
347	347	MET	0	0.012	0.002	31.897	0.003	0.003	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.026	-0.003	32.909	-0.001	-0.001	0.000	0.000	0.000	0.000
349	349	THR	0	0.001	-0.025	33.345	0.002	0.002	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.876	-0.975	35.875	-0.010	-0.010	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.985	-0.975	31.974	-0.011	-0.011	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.815	-0.878	30.833	-0.026	-0.026	0.000	0.000	0.000	0.000
353	353	LYS	1	0.857	0.932	33.248	0.016	0.016	0.000	0.000	0.000	0.000
354	354	ARG	1	0.787	0.893	33.203	-0.012	-0.012	0.000	0.000	0.000	0.000
355	355	THR	0	0.060	0.013	28.472	0.004	0.004	0.000	0.000	0.000	0.000
356	356	LEU	0	0.029	0.018	31.307	0.002	0.002	0.000	0.000	0.000	0.000
357	357	ARG	1	0.876	0.941	33.436	-0.005	-0.005	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.837	-0.893	30.882	0.024	0.024	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.038	-0.015	28.260	0.006	0.006	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.776	-0.881	30.946	0.003	0.003	0.000	0.000	0.000	0.000
361	361	THR	0	-0.100	-0.066	34.003	0.003	0.003	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.086	-0.043	26.102	0.005	0.005	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.055	-0.065	25.631	0.004	0.004	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.057	-0.015	31.981	-0.001	-0.001	0.000	0.000	0.000	0.000
365	365	THR	0	0.014	0.018	34.352	-0.003	-0.003	0.000	0.000	0.000	0.000
366	366	SER	0	-0.044	-0.021	36.976	0.000	0.000	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.036	-0.029	33.323	-0.002	-0.002	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.881	-0.924	37.788	-0.013	-0.013	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.971	-0.991	39.222	-0.022	-0.022	0.000	0.000	0.000	0.000
370	370	MET	0	-0.058	-0.036	38.495	-0.002	-0.002	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.003	0.009	40.775	0.001	0.001	0.000	0.000	0.000	0.000
372	372	LEU	0	0.014	-0.012	43.443	-0.003	-0.003	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.029	-0.011	45.251	-0.004	-0.004	0.000	0.000	0.000	0.000
374	374	VAL	0	0.069	0.026	38.688	0.002	0.002	0.000	0.000	0.000	0.000
375	375	ALA	0	0.021	0.006	41.511	-0.001	-0.001	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.895	-0.941	42.898	-0.033	-0.033	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.132	-0.070	39.910	0.003	0.003	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.935	-0.962	37.410	-0.045	-0.045	0.000	0.000	0.000	0.000
379	379	A	0	-0.362	-0.301	19.015	-0.011	-0.011	0.000	0.000	0.000	0.000
380	379	A	-1	-0.578	-0.657	16.223	0.230	0.230	0.000	0.000	0.000	0.000
381	380	G	0	-0.371	-0.324	17.017	0.050	0.050	0.000	0.000	0.000	0.000
382	380	G	-1	-0.504	-0.608	16.497	0.112	0.112	0.000	0.000	0.000	0.000
383	381	A	0	-0.363	-0.318	16.411	-0.003	-0.003	0.000	0.000	0.000	0.000
384	381	A	-1	-0.632	-0.678	16.560	-0.031	-0.031	0.000	0.000	0.000	0.000
385	382	G	0	-0.374	-0.306	12.885	0.056	0.056	0.000	0.000	0.000	0.000
386	382	G	-1	-0.513	-0.645	15.982	-0.187	-0.187	0.000	0.000	0.000	0.000
387	383	A	0	-0.337	-0.301	9.411	-0.006	-0.006	0.000	0.000	0.000	0.000
388	383	A	-1	-0.461	-0.580	11.805	-0.375	-0.375	0.000	0.000	0.000	0.000
389	384	A	0	-0.364	-0.308	6.477	-0.115	-0.115	0.000	0.000	0.000	0.000
390	384	A	-1	-0.463	-0.579	7.583	-0.786	-0.786	0.000	0.000	0.000	0.000
395	387	G	0	-0.347	-0.294	5.615	0.320	0.320	0.000	0.000	0.000	0.000
396	387	G	-1	-0.611	-0.679	7.194	-1.099	-1.099	0.000	0.000	0.000	0.000
397	388	G	0	-0.332	-0.281	8.919	-0.144	-0.144	0.000	0.000	0.000	0.000
398	388	G	0	0.270	0.241	12.280	0.047	0.047	0.000	0.000	0.000	0.000

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