FMO DATABASE

FMODB ID: 2J93R

Calculation Name: 6XKI-A-MD433-88ns

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	V6D=1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7617624.765993
FMO2-HF: Nuclear repulsion	7448421.340275
FMO2-HF: Total energy	-169203.425718
FMO2-MP2: Total energy	-169681.100772

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.
-308.036990	-254.993484	37.996593	-20.547890	-70.492208	0.085083

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.
-253.679	-234.739	15.897	-7.05	-27.784	-0.036

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 : 1 / q_Mulliken : 0.995 / q_NPA : 1.009

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].
82	82	ARG	1	0.859	0.891	2.603	55.374	56.940	0.989	-0.639	-1.917	-0.001
132	132	GLY	0	0.034	0.029	2.399	0.902	0.713	0.705	-0.373	-0.143	0.002
133	133	ARG	1	0.830	0.877	3.194	32.018	31.783	0.021	0.440	-0.226	-0.001
167	167	GLN	0	-0.004	0.006	4.711	-2.141	-1.852	0.000	-0.023	-0.264	0.000
254	254	ARG	1	0.884	0.914	4.212	43.650	43.818	-0.001	-0.005	-0.162	0.000
276	276	GLY	0	0.028	-0.003	4.141	-1.630	-1.544	-0.001	-0.013	-0.073	0.000
277	277	ASP	-1	-0.897	-0.929	2.916	-50.188	-48.403	0.138	-0.880	-1.041	-0.010
278	278	MET	0	-0.070	-0.005	5.174	-0.775	-0.705	-0.001	-0.008	-0.061	0.000
279	279	ASP	-1	-0.871	-0.932	4.512	-42.559	-42.347	-0.001	-0.012	-0.199	0.000
283	283	ARG	1	0.771	0.824	3.466	45.245	45.592	0.010	-0.055	-0.302	0.000
390	384	A	-1	-0.470	-0.586	3.570	-48.991	-47.859	0.019	-0.359	-0.792	-0.002
391	385	G	0	-0.331	-0.292	2.800	-15.771	-7.800	5.093	-2.500	-10.563	-0.019
392	385	G	-1	-0.475	-0.581	2.072	-48.290	-44.562	6.076	-3.392	-6.412	0.000
393	386	A	0	-0.356	-0.299	2.613	-1.426	0.228	2.210	-0.850	-3.014	0.004
394	386	A	-1	-0.566	-0.683	2.822	-39.133	-40.541	0.270	2.132	-0.994	-0.002
395	387	G	0	-0.355	-0.304	4.816	-9.022	-8.505	0.000	-0.012	-0.505	0.000
397	388	G	0	-0.321	-0.282	2.719	-15.256	-14.009	0.370	-0.501	-1.116	-0.007
1	1	GLU	0	-0.072	-0.044	43.454	0.066	0.066	0.000	0.000	0.000	0.000
2	2	ILE	0	-0.045	-0.030	38.243	-0.119	-0.119	0.000	0.000	0.000	0.000
3	3	VAL	0	0.013	0.013	38.224	0.132	0.132	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.866	-0.940	40.506	-6.988	-6.988	0.000	0.000	0.000	0.000
5	5	SER	0	-0.017	-0.009	40.490	-0.045	-0.045	0.000	0.000	0.000	0.000
6	6	PHE	0	0.036	-0.009	32.678	-0.113	-0.113	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.789	-0.879	37.847	-7.643	-7.643	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.912	-0.950	40.321	-6.906	-6.906	0.000	0.000	0.000	0.000
9	9	MET	0	-0.149	-0.076	33.822	-0.032	-0.032	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.079	-0.039	37.122	-0.105	-0.105	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.003	0.002	33.418	-0.183	-0.183	0.000	0.000	0.000	0.000
12	12	SER	0	0.032	-0.005	34.145	0.136	0.136	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.858	-0.943	36.369	-7.584	-7.584	0.000	0.000	0.000	0.000
14	14	SER	0	-0.056	-0.027	34.829	-0.090	-0.090	0.000	0.000	0.000	0.000
15	15	LEU	0	0.030	0.019	29.930	-0.194	-0.194	0.000	0.000	0.000	0.000
16	16	LEU	0	0.009	0.005	33.427	-0.211	-0.211	0.000	0.000	0.000	0.000
17	17	ARG	1	0.914	0.970	36.198	7.887	7.887	0.000	0.000	0.000	0.000
18	18	GLY	0	0.045	0.017	32.439	-0.008	-0.008	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.033	-0.020	31.703	-0.218	-0.218	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.052	-0.038	33.120	-0.113	-0.113	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.049	-0.015	34.097	0.044	0.044	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.064	-0.034	25.614	-0.378	-0.378	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.002	0.008	31.476	-0.188	-0.188	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.095	-0.039	28.071	-0.096	-0.096	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.870	-0.936	34.356	-7.881	-7.881	0.000	0.000	0.000	0.000
26	26	LYS	1	0.931	0.952	36.832	7.995	7.995	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.009	0.020	34.397	-0.230	-0.230	0.000	0.000	0.000	0.000
28	28	SER	0	0.017	0.004	32.034	0.102	0.102	0.000	0.000	0.000	0.000
29	29	ALA	0	0.026	-0.004	34.168	0.015	0.015	0.000	0.000	0.000	0.000
30	30	ILE	0	0.006	-0.016	28.661	0.030	0.030	0.000	0.000	0.000	0.000
31	31	GLN	0	0.029	0.030	28.907	0.171	0.171	0.000	0.000	0.000	0.000
32	32	GLN	0	0.074	0.037	31.392	0.100	0.100	0.000	0.000	0.000	0.000
33	33	ARG	1	0.860	0.939	32.440	8.261	8.261	0.000	0.000	0.000	0.000
34	34	ALA	0	0.039	0.014	27.609	0.015	0.015	0.000	0.000	0.000	0.000
35	35	ILE	0	0.022	0.011	29.084	-0.078	-0.078	0.000	0.000	0.000	0.000
36	36	LEU	0	0.013	0.011	30.426	0.011	0.011	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.055	-0.023	30.601	0.129	0.129	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.016	0.011	25.880	-0.135	-0.135	0.000	0.000	0.000	0.000
39	39	ILE	0	0.044	0.026	28.613	-0.118	-0.118	0.000	0.000	0.000	0.000
40	40	LYS	1	0.894	0.951	30.913	7.909	7.909	0.000	0.000	0.000	0.000
41	41	GLY	0	0.030	0.024	28.249	0.141	0.141	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.035	-0.016	27.813	-0.065	-0.065	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.701	-0.812	24.283	-11.234	-11.234	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.054	-0.028	24.614	0.382	0.382	0.000	0.000	0.000	0.000
45	45	ILE	0	0.023	0.012	23.552	-0.514	-0.514	0.000	0.000	0.000	0.000
46	46	ALA	0	0.020	-0.001	24.472	0.473	0.473	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.005	0.011	24.828	-0.230	-0.230	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.023	-0.016	24.676	0.294	0.294	0.000	0.000	0.000	0.000
49	49	GLN	0	0.040	0.014	24.808	-0.449	-0.449	0.000	0.000	0.000	0.000
50	50	SER	0	-0.025	-0.006	25.358	0.038	0.038	0.000	0.000	0.000	0.000
51	51	GLY	0	0.081	0.039	26.834	0.283	0.283	0.000	0.000	0.000	0.000
52	52	THR	0	-0.103	-0.059	27.567	0.187	0.187	0.000	0.000	0.000	0.000
53	53	GLY	0	0.070	0.036	27.278	0.220	0.220	0.000	0.000	0.000	0.000
54	54	LYS	1	0.776	0.864	19.491	14.403	14.403	0.000	0.000	0.000	0.000
55	55	THR	0	0.037	0.008	20.565	-0.279	-0.279	0.000	0.000	0.000	0.000
56	56	ALA	0	0.042	0.016	22.581	-0.033	-0.033	0.000	0.000	0.000	0.000
57	57	THR	0	-0.027	-0.010	25.361	0.356	0.356	0.000	0.000	0.000	0.000
58	58	PHE	0	0.041	0.022	19.140	0.301	0.301	0.000	0.000	0.000	0.000
59	59	ALA	0	0.017	0.016	23.668	0.186	0.186	0.000	0.000	0.000	0.000
60	60	ILE	0	0.044	0.017	24.639	0.212	0.212	0.000	0.000	0.000	0.000
61	61	SER	0	-0.016	-0.033	25.880	0.390	0.390	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.018	-0.019	21.044	0.122	0.122	0.000	0.000	0.000	0.000
63	63	LEU	0	0.009	-0.003	25.453	0.215	0.215	0.000	0.000	0.000	0.000
64	64	GLN	0	0.056	0.053	27.881	0.180	0.180	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.050	-0.030	27.180	0.201	0.201	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.069	-0.016	24.541	-0.036	-0.036	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.849	-0.900	28.549	-8.379	-8.379	0.000	0.000	0.000	0.000
68	68	LEU	0	-0.020	-0.024	29.292	-0.378	-0.378	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.911	-0.946	31.377	-8.368	-8.368	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.125	-0.064	26.676	-0.097	-0.097	0.000	0.000	0.000	0.000
71	71	LYS	1	0.968	0.971	26.528	9.662	9.662	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.028	-0.004	22.498	-0.363	-0.363	0.000	0.000	0.000	0.000
73	73	THR	0	0.021	0.016	17.339	-0.093	-0.093	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.034	-0.041	20.655	0.173	0.173	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.022	-0.010	20.227	0.213	0.213	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.015	-0.001	12.653	-0.377	-0.377	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.005	0.001	15.361	0.449	0.449	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.018	-0.008	9.106	-0.936	-0.936	0.000	0.000	0.000	0.000
79	79	ALA	0	0.047	0.009	10.930	1.223	1.223	0.000	0.000	0.000	0.000
80	80	PRO	0	0.010	0.001	9.224	-1.779	-1.779	0.000	0.000	0.000	0.000
81	81	THR	0	0.032	0.018	7.171	-2.270	-2.270	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.777	-0.880	8.179	-26.696	-26.696	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.047	-0.011	10.939	2.055	2.055	0.000	0.000	0.000	0.000
85	85	ALA	0	0.014	0.005	11.564	1.475	1.475	0.000	0.000	0.000	0.000
86	86	GLN	0	0.021	-0.003	11.940	0.977	0.977	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.017	0.000	14.956	0.933	0.933	0.000	0.000	0.000	0.000
88	88	ILE	0	0.015	-0.002	15.219	0.994	0.994	0.000	0.000	0.000	0.000
89	89	GLN	0	0.043	0.009	17.265	0.597	0.597	0.000	0.000	0.000	0.000
90	90	LYS	1	0.917	0.957	19.061	13.746	13.746	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.006	0.004	21.900	0.514	0.514	0.000	0.000	0.000	0.000
92	92	VAL	0	0.000	-0.007	20.358	0.503	0.503	0.000	0.000	0.000	0.000
93	93	MET	0	-0.015	0.024	22.507	0.340	0.340	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.006	-0.001	25.046	0.428	0.428	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.033	-0.017	26.787	0.387	0.387	0.000	0.000	0.000	0.000
96	96	GLY	0	0.012	0.004	27.490	0.316	0.316	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.935	-0.955	28.565	-9.552	-9.552	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.010	-0.022	30.844	0.227	0.227	0.000	0.000	0.000	0.000
99	99	MET	0	-0.076	-0.029	30.823	0.156	0.156	0.000	0.000	0.000	0.000
100	100	GLY	0	0.026	0.027	31.095	0.129	0.129	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.083	-0.033	26.406	-0.185	-0.185	0.000	0.000	0.000	0.000
102	102	SER	0	-0.016	-0.049	24.142	-0.275	-0.275	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.061	-0.050	18.848	-0.235	-0.235	0.000	0.000	0.000	0.000
104	104	HIS	0	0.010	-0.002	14.249	0.793	0.793	0.000	0.000	0.000	0.000
105	105	ALA	0	0.005	0.004	13.699	-0.233	-0.233	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.064	-0.012	11.905	-0.973	-0.973	0.000	0.000	0.000	0.000
107	107	ILE	0	0.007	-0.003	8.524	-1.126	-1.126	0.000	0.000	0.000	0.000
108	108	GLY	0	0.011	0.009	4.885	0.783	0.783	0.000	0.000	0.000	0.000
109	109	GLY	0	0.001	0.008	5.343	0.100	0.100	0.000	0.000	0.000	0.000
110	110	THR	0	-0.013	-0.009	5.964	4.335	4.335	0.000	0.000	0.000	0.000
111	111	ASN	0	0.022	0.013	9.815	0.454	0.454	0.000	0.000	0.000	0.000
112	112	VAL	0	0.128	0.062	10.212	1.302	1.302	0.000	0.000	0.000	0.000
113	113	ARG	1	0.878	0.939	12.836	17.944	17.944	0.000	0.000	0.000	0.000
114	114	ALA	0	0.024	-0.011	16.197	0.738	0.738	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.778	-0.865	11.818	-20.984	-20.984	0.000	0.000	0.000	0.000
116	116	VAL	0	0.037	0.007	15.002	0.735	0.735	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.084	-0.039	17.301	0.667	0.667	0.000	0.000	0.000	0.000
118	118	LYS	1	0.975	0.968	17.399	16.834	16.834	0.000	0.000	0.000	0.000
119	119	LEU	0	0.038	0.037	15.187	0.385	0.385	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.025	-0.010	19.590	0.341	0.341	0.000	0.000	0.000	0.000
121	121	MET	0	-0.121	-0.055	22.458	0.360	0.360	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.857	-0.894	21.936	-11.859	-11.859	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.070	-0.031	22.879	0.388	0.388	0.000	0.000	0.000	0.000
124	124	PRO	0	-0.006	0.018	19.398	0.279	0.279	0.000	0.000	0.000	0.000
125	125	HIS	0	0.099	0.054	21.671	-0.481	-0.481	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.036	-0.020	18.953	-0.029	-0.029	0.000	0.000	0.000	0.000
127	127	ILE	0	0.019	0.006	13.487	-0.408	-0.408	0.000	0.000	0.000	0.000
128	128	VAL	0	0.017	0.011	14.117	0.101	0.101	0.000	0.000	0.000	0.000
129	129	GLY	0	0.018	-0.002	11.011	-0.235	-0.235	0.000	0.000	0.000	0.000
130	130	THR	0	-0.012	-0.022	6.016	1.148	1.148	0.000	0.000	0.000	0.000
131	131	PRO	0	0.025	0.002	5.102	0.101	0.101	0.000	0.000	0.000	0.000
134	134	VAL	0	0.054	0.017	6.506	2.593	2.593	0.000	0.000	0.000	0.000
135	135	PHE	0	0.032	0.012	5.514	2.645	2.645	0.000	0.000	0.000	0.000
136	136	ASP	-1	-0.868	-0.897	6.690	-24.334	-24.334	0.000	0.000	0.000	0.000
137	137	MET	0	-0.012	-0.016	8.279	2.551	2.551	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.013	0.011	10.555	1.569	1.569	0.000	0.000	0.000	0.000
139	139	ASN	0	-0.093	-0.056	8.955	2.361	2.361	0.000	0.000	0.000	0.000
140	140	ARG	1	0.875	0.949	12.007	19.612	19.612	0.000	0.000	0.000	0.000
141	141	ARG	1	0.880	0.924	14.050	14.576	14.576	0.000	0.000	0.000	0.000
142	142	TYR	0	0.050	0.044	15.704	0.619	0.619	0.000	0.000	0.000	0.000
143	143	LEU	0	0.014	0.020	12.442	0.617	0.617	0.000	0.000	0.000	0.000
144	144	SER	0	-0.010	-0.021	16.224	0.171	0.171	0.000	0.000	0.000	0.000
145	145	PRO	0	0.038	0.005	17.223	0.248	0.248	0.000	0.000	0.000	0.000
146	146	LYS	1	0.871	0.945	19.483	11.924	11.924	0.000	0.000	0.000	0.000
147	147	TYR	0	0.016	0.009	21.954	0.459	0.459	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.007	0.009	16.435	0.134	0.134	0.000	0.000	0.000	0.000
149	149	LYS	1	0.925	0.972	20.741	10.188	10.188	0.000	0.000	0.000	0.000
150	150	MET	0	-0.043	-0.014	21.323	0.263	0.263	0.000	0.000	0.000	0.000
151	151	PHE	0	0.006	-0.004	12.589	-0.345	-0.345	0.000	0.000	0.000	0.000
152	152	VAL	0	-0.021	-0.014	17.080	0.424	0.424	0.000	0.000	0.000	0.000
153	153	LEU	0	0.015	0.007	13.099	-0.968	-0.968	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.761	-0.879	16.107	-13.941	-13.941	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.822	-0.905	14.739	-16.627	-16.627	0.000	0.000	0.000	0.000
156	156	ALA	0	-0.009	-0.015	15.514	-0.757	-0.757	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.757	-0.844	16.253	-15.370	-15.370	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.890	-0.934	12.029	-19.987	-19.987	0.000	0.000	0.000	0.000
159	159	MET	0	-0.051	-0.004	9.035	-1.062	-1.062	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.013	-0.012	12.369	-0.109	-0.109	0.000	0.000	0.000	0.000
161	161	SER	0	0.026	0.005	12.632	0.467	0.467	0.000	0.000	0.000	0.000
162	162	ARG	1	0.752	0.831	12.357	18.464	18.464	0.000	0.000	0.000	0.000
163	163	GLY	0	0.060	0.054	9.226	-0.028	-0.028	0.000	0.000	0.000	0.000
164	164	PHE	0	0.014	-0.001	6.438	-1.116	-1.116	0.000	0.000	0.000	0.000
165	165	LYS	1	0.921	0.972	9.445	15.907	15.907	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.878	-0.947	9.370	-17.924	-17.924	0.000	0.000	0.000	0.000
168	168	ILE	0	-0.011	-0.023	6.826	0.375	0.375	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.011	-0.013	9.980	1.525	1.525	0.000	0.000	0.000	0.000
170	170	ASP	-1	-0.862	-0.929	7.717	-20.440	-20.440	0.000	0.000	0.000	0.000
171	171	ILE	0	-0.073	-0.039	7.248	0.852	0.852	0.000	0.000	0.000	0.000
172	172	PHE	0	-0.015	-0.016	10.354	1.086	1.086	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.034	-0.014	12.765	1.179	1.179	0.000	0.000	0.000	0.000
174	174	LYS	1	0.877	0.956	11.477	17.797	17.797	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.025	-0.003	14.248	0.679	0.679	0.000	0.000	0.000	0.000
176	176	ASN	0	0.009	0.011	16.775	0.362	0.362	0.000	0.000	0.000	0.000
177	177	SER	0	0.053	0.034	20.027	-0.112	-0.112	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.035	-0.030	21.036	-0.161	-0.161	0.000	0.000	0.000	0.000
179	179	THR	0	-0.023	-0.002	19.060	0.254	0.254	0.000	0.000	0.000	0.000
180	180	GLN	0	0.002	-0.002	21.588	-0.201	-0.201	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.017	-0.009	18.665	-0.536	-0.536	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.006	-0.012	20.188	0.557	0.557	0.000	0.000	0.000	0.000
183	183	LEU	0	0.015	0.010	18.099	-0.651	-0.651	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.020	-0.014	19.769	0.712	0.712	0.000	0.000	0.000	0.000
185	185	SER	0	0.001	-0.022	19.541	-0.700	-0.700	0.000	0.000	0.000	0.000
186	186	ALA	0	0.033	0.030	21.233	0.533	0.533	0.000	0.000	0.000	0.000
187	187	THR	0	-0.004	-0.006	20.956	0.530	0.530	0.000	0.000	0.000	0.000
188	188	MET	0	-0.021	-0.012	21.645	-0.608	-0.608	0.000	0.000	0.000	0.000
189	189	PRO	0	0.065	0.046	20.993	0.552	0.552	0.000	0.000	0.000	0.000
190	190	SER	0	-0.021	-0.014	23.995	0.029	0.029	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.861	-0.942	21.300	-12.994	-12.994	0.000	0.000	0.000	0.000
192	192	VAL	0	0.001	0.008	18.674	-0.186	-0.186	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.003	-0.016	20.923	0.050	0.050	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.847	-0.894	23.946	-9.844	-9.844	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.033	-0.005	17.698	0.125	0.125	0.000	0.000	0.000	0.000
196	196	THR	0	-0.026	-0.039	20.282	0.017	0.017	0.000	0.000	0.000	0.000
197	197	LYS	1	0.860	0.912	21.734	9.847	9.847	0.000	0.000	0.000	0.000
198	198	LYS	1	0.891	0.968	18.762	12.664	12.664	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.052	-0.039	17.364	0.020	0.020	0.000	0.000	0.000	0.000
200	200	MET	0	-0.027	0.019	20.708	-0.076	-0.076	0.000	0.000	0.000	0.000
201	201	ARG	1	0.742	0.820	22.702	11.302	11.302	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.885	-0.939	26.977	-8.781	-8.781	0.000	0.000	0.000	0.000
203	203	PRO	0	0.015	0.025	24.925	0.154	0.154	0.000	0.000	0.000	0.000
204	204	ILE	0	0.015	-0.006	27.641	0.215	0.215	0.000	0.000	0.000	0.000
205	205	ARG	1	0.827	0.914	28.314	9.177	9.177	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.034	-0.017	28.752	0.375	0.375	0.000	0.000	0.000	0.000
207	207	LEU	0	0.001	-0.002	27.660	-0.324	-0.324	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.015	-0.009	29.146	0.346	0.346	0.000	0.000	0.000	0.000
209	209	LYS	1	0.937	0.968	30.468	8.280	8.280	0.000	0.000	0.000	0.000
210	210	LYS	1	0.946	0.970	28.990	10.129	10.129	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.855	-0.928	31.432	-8.781	-8.781	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.938	-0.965	33.163	-8.250	-8.250	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.113	-0.050	26.927	-0.183	-0.183	0.000	0.000	0.000	0.000
214	214	THR	0	-0.009	-0.012	28.863	-0.378	-0.378	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.015	-0.008	25.790	0.188	0.188	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.898	-0.950	30.417	-8.259	-8.259	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.057	-0.024	31.784	0.145	0.145	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.046	-0.021	26.908	-0.120	-0.120	0.000	0.000	0.000	0.000
219	219	ARG	1	0.931	0.985	30.581	8.490	8.490	0.000	0.000	0.000	0.000
220	220	GLN	0	0.048	0.031	29.495	-0.435	-0.435	0.000	0.000	0.000	0.000
221	221	PHE	0	0.005	0.001	30.692	0.287	0.287	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.120	-0.086	30.514	-0.553	-0.553	0.000	0.000	0.000	0.000
223	223	ILE	0	0.057	0.022	30.083	0.297	0.297	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.064	-0.032	31.337	-0.485	-0.485	0.000	0.000	0.000	0.000
225	225	VAL	0	0.043	0.016	28.931	0.109	0.109	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.859	-0.906	32.365	-8.382	-8.382	0.000	0.000	0.000	0.000
227	227	ARG	1	0.900	0.945	31.191	8.667	8.667	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.759	-0.877	23.419	-12.857	-12.857	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.972	-0.989	27.123	-10.695	-10.695	0.000	0.000	0.000	0.000
230	230	TRP	0	0.008	-0.003	29.153	0.116	0.116	0.000	0.000	0.000	0.000
231	231	LYS	1	0.823	0.921	23.033	12.730	12.730	0.000	0.000	0.000	0.000
232	232	LEU	0	0.029	0.013	23.958	-0.148	-0.148	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.796	-0.904	26.635	-9.752	-9.752	0.000	0.000	0.000	0.000
234	234	THR	0	-0.002	-0.004	29.134	0.210	0.210	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.025	-0.019	22.566	0.022	0.022	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.093	-0.052	27.113	-0.083	-0.083	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.875	-0.919	28.882	-8.817	-8.817	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.059	-0.032	27.403	0.160	0.160	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.003	-0.038	23.988	-0.222	-0.222	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.880	-0.914	29.516	-8.803	-8.803	0.000	0.000	0.000	0.000
241	241	THR	0	-0.014	-0.011	29.885	0.093	0.093	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.008	0.001	24.809	-0.094	-0.094	0.000	0.000	0.000	0.000
243	243	THR	0	-0.021	-0.009	27.949	-0.258	-0.258	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.074	-0.038	30.643	0.100	0.100	0.000	0.000	0.000	0.000
245	245	THR	0	-0.027	-0.006	27.822	-0.046	-0.046	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.068	-0.038	21.434	0.263	0.263	0.000	0.000	0.000	0.000
247	247	ALA	0	-0.003	-0.005	23.175	0.147	0.147	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.025	-0.007	17.186	-0.412	-0.412	0.000	0.000	0.000	0.000
249	249	ILE	0	-0.004	-0.001	18.652	0.582	0.582	0.000	0.000	0.000	0.000
250	250	PHE	0	0.022	0.011	15.349	-0.823	-0.823	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.015	-0.021	15.615	0.924	0.924	0.000	0.000	0.000	0.000
252	252	ASN	0	0.011	-0.008	15.684	-1.037	-1.037	0.000	0.000	0.000	0.000
253	253	THR	0	-0.024	-0.004	13.446	-0.503	-0.503	0.000	0.000	0.000	0.000
255	255	ARG	1	0.968	0.984	11.354	19.453	19.453	0.000	0.000	0.000	0.000
256	256	LYS	1	0.788	0.876	13.853	15.092	15.092	0.000	0.000	0.000	0.000
257	257	VAL	0	0.038	0.012	12.465	0.800	0.800	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.943	-0.950	12.034	-20.821	-20.821	0.000	0.000	0.000	0.000
259	259	TRP	0	0.032	0.013	13.900	1.154	1.154	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.020	-0.017	17.544	0.831	0.831	0.000	0.000	0.000	0.000
261	261	THR	0	-0.020	-0.034	14.818	0.558	0.558	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.924	-0.948	16.853	-15.527	-15.527	0.000	0.000	0.000	0.000
263	263	LYS	1	0.875	0.945	19.224	12.581	12.581	0.000	0.000	0.000	0.000
264	264	MET	0	0.009	-0.022	21.214	0.737	0.737	0.000	0.000	0.000	0.000
265	265	HIS	0	0.000	0.018	20.996	0.452	0.452	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.015	-0.009	22.875	0.491	0.491	0.000	0.000	0.000	0.000
267	267	ARG	1	0.768	0.882	25.289	10.784	10.784	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.914	-0.952	26.474	-9.961	-9.961	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.020	-0.001	25.178	0.125	0.125	0.000	0.000	0.000	0.000
270	270	THR	0	-0.032	-0.022	23.786	-0.387	-0.387	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.029	-0.006	19.047	0.129	0.129	0.000	0.000	0.000	0.000
272	272	SER	0	0.005	0.010	16.261	0.024	0.024	0.000	0.000	0.000	0.000
273	273	ALA	0	0.013	0.006	13.823	0.340	0.340	0.000	0.000	0.000	0.000
274	274	MET	0	-0.018	0.008	8.681	-0.410	-0.410	0.000	0.000	0.000	0.000
275	275	HIS	0	0.044	0.016	8.063	-1.247	-1.247	0.000	0.000	0.000	0.000
280	280	GLN	0	0.008	-0.002	4.907	-1.518	-1.518	0.000	0.000	0.000	0.000
281	281	LYS	1	0.912	0.937	6.070	25.438	25.438	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.882	-0.927	8.588	-20.555	-20.555	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.959	-0.957	9.059	-18.084	-18.084	0.000	0.000	0.000	0.000
285	285	VAL	0	0.008	-0.013	11.774	1.404	1.404	0.000	0.000	0.000	0.000
286	286	ILE	0	-0.010	-0.003	10.601	1.283	1.283	0.000	0.000	0.000	0.000
287	287	MET	0	0.041	0.020	12.909	1.735	1.735	0.000	0.000	0.000	0.000
288	288	ARG	1	0.804	0.916	14.627	16.409	16.409	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.755	-0.872	17.054	-12.818	-12.818	0.000	0.000	0.000	0.000
290	290	PHE	0	0.019	0.024	17.480	0.621	0.621	0.000	0.000	0.000	0.000
291	291	ARG	1	0.871	0.914	16.209	16.837	16.837	0.000	0.000	0.000	0.000
292	292	SER	0	-0.065	-0.024	20.243	0.512	0.512	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.016	0.005	22.294	0.578	0.578	0.000	0.000	0.000	0.000
294	294	SER	0	-0.063	-0.040	22.838	0.308	0.308	0.000	0.000	0.000	0.000
295	295	SER	0	-0.025	-0.007	18.992	0.322	0.322	0.000	0.000	0.000	0.000
296	296	ARG	1	0.908	0.938	21.996	10.780	10.780	0.000	0.000	0.000	0.000
297	297	VAL	0	0.040	0.016	20.918	0.102	0.102	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.002	0.012	13.996	-0.467	-0.467	0.000	0.000	0.000	0.000
299	299	ILE	0	0.029	0.015	15.709	0.173	0.173	0.000	0.000	0.000	0.000
300	300	THR	0	-0.050	-0.041	11.505	-1.367	-1.367	0.000	0.000	0.000	0.000
301	301	THR	0	0.037	0.002	9.181	1.581	1.581	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.799	-0.910	12.405	-18.079	-18.079	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.030	0.009	6.552	-0.040	-0.040	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.011	-0.020	10.029	0.560	0.560	0.000	0.000	0.000	0.000
305	305	ALA	0	0.012	0.015	13.051	1.453	1.453	0.000	0.000	0.000	0.000
306	306	ARG	1	0.820	0.882	13.960	17.688	17.688	0.000	0.000	0.000	0.000
307	307	GLY	0	0.039	0.022	15.266	-0.620	-0.620	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.036	-0.012	12.943	0.833	0.833	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.827	-0.897	17.047	-12.117	-12.117	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.003	0.002	18.198	0.079	0.079	0.000	0.000	0.000	0.000
311	311	GLN	0	0.010	-0.016	20.963	0.674	0.674	0.000	0.000	0.000	0.000
312	312	GLN	0	0.003	-0.005	23.558	0.289	0.289	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.032	0.002	21.139	0.350	0.350	0.000	0.000	0.000	0.000
314	314	SER	0	0.033	0.019	24.568	0.052	0.052	0.000	0.000	0.000	0.000
315	315	LEU	0	0.031	0.018	26.031	0.095	0.095	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.025	-0.016	21.306	-0.494	-0.494	0.000	0.000	0.000	0.000
317	317	ILE	0	0.014	0.002	22.535	0.487	0.487	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.013	-0.006	21.433	-1.321	-1.321	0.000	0.000	0.000	0.000
319	319	TYR	0	0.070	0.014	20.736	0.659	0.659	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.775	-0.870	19.402	-14.454	-14.454	0.000	0.000	0.000	0.000
321	321	LEU	0	0.022	0.015	21.174	-0.309	-0.309	0.000	0.000	0.000	0.000
322	322	PRO	0	0.003	0.039	19.320	-0.191	-0.191	0.000	0.000	0.000	0.000
323	323	THR	0	0.015	-0.008	19.999	0.860	0.860	0.000	0.000	0.000	0.000
324	324	ASN	0	0.000	-0.007	18.754	0.538	0.538	0.000	0.000	0.000	0.000
325	325	ARG	1	0.975	0.991	20.797	11.916	11.916	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.833	-0.914	20.849	-12.531	-12.531	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.051	-0.038	16.289	0.493	0.493	0.000	0.000	0.000	0.000
328	328	TYR	0	0.000	-0.008	19.842	-0.335	-0.335	0.000	0.000	0.000	0.000
329	329	ILE	0	0.001	0.007	22.777	0.044	0.044	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.073	-0.037	18.758	-0.069	-0.069	0.000	0.000	0.000	0.000
331	331	ARG	1	0.843	0.896	16.571	16.251	16.251	0.000	0.000	0.000	0.000
332	332	ILE	0	0.014	0.006	20.170	0.073	0.073	0.000	0.000	0.000	0.000
333	333	GLY	0	0.008	0.011	23.287	0.351	0.351	0.000	0.000	0.000	0.000
334	334	ARG	1	0.760	0.886	17.677	14.710	14.710	0.000	0.000	0.000	0.000
335	335	GLY	0	0.013	0.022	21.155	-0.084	-0.084	0.000	0.000	0.000	0.000
336	336	GLY	0	0.016	0.006	24.255	0.139	0.139	0.000	0.000	0.000	0.000
337	337	ARG	1	0.772	0.893	22.594	12.598	12.598	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.003	-0.020	26.107	0.336	0.336	0.000	0.000	0.000	0.000
339	339	GLY	0	-0.003	0.009	28.671	0.324	0.324	0.000	0.000	0.000	0.000
340	340	ARG	1	0.842	0.926	28.331	10.498	10.498	0.000	0.000	0.000	0.000
341	341	LYS	1	0.993	0.977	30.116	7.920	7.920	0.000	0.000	0.000	0.000
342	342	GLY	0	0.093	0.050	29.097	-0.083	-0.083	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.042	-0.007	28.545	0.302	0.302	0.000	0.000	0.000	0.000
344	344	ALA	0	0.007	0.003	26.501	-0.468	-0.468	0.000	0.000	0.000	0.000
345	345	ILE	0	0.019	0.011	26.490	0.395	0.395	0.000	0.000	0.000	0.000
346	346	ASN	0	0.005	0.004	25.986	-0.985	-0.985	0.000	0.000	0.000	0.000
347	347	MET	0	-0.004	0.013	25.823	0.270	0.270	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.032	-0.018	27.090	-0.287	-0.287	0.000	0.000	0.000	0.000
349	349	THR	0	-0.022	-0.045	27.911	0.410	0.410	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.926	-0.989	30.485	-8.541	-8.541	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.925	-0.951	28.659	-9.583	-9.583	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.902	-0.911	26.277	-11.677	-11.677	0.000	0.000	0.000	0.000
353	353	LYS	1	0.884	0.942	29.056	9.029	9.029	0.000	0.000	0.000	0.000
354	354	ARG	1	0.863	0.912	30.794	9.659	9.659	0.000	0.000	0.000	0.000
355	355	THR	0	0.035	0.014	25.311	0.095	0.095	0.000	0.000	0.000	0.000
356	356	LEU	0	0.050	0.026	28.537	-0.203	-0.203	0.000	0.000	0.000	0.000
357	357	ARG	1	0.989	1.001	30.194	8.313	8.313	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.867	-0.913	29.292	-9.844	-9.844	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.038	-0.010	25.592	-0.046	-0.046	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.835	-0.927	29.410	-8.773	-8.773	0.000	0.000	0.000	0.000
361	361	THR	0	-0.091	-0.053	33.031	0.297	0.297	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.098	-0.054	26.245	0.083	0.083	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.048	-0.065	24.819	-0.016	-0.016	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.039	-0.004	31.600	0.032	0.032	0.000	0.000	0.000	0.000
365	365	THR	0	0.004	0.015	31.900	0.164	0.164	0.000	0.000	0.000	0.000
366	366	SER	0	-0.058	-0.035	35.103	0.158	0.158	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.053	-0.019	30.488	-0.038	-0.038	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.859	-0.928	34.554	-7.878	-7.878	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.840	-0.917	35.276	-8.246	-8.246	0.000	0.000	0.000	0.000
370	370	MET	0	-0.051	-0.015	31.900	-0.093	-0.093	0.000	0.000	0.000	0.000
371	371	PRO	0	0.005	0.013	34.874	0.198	0.198	0.000	0.000	0.000	0.000
372	372	LEU	0	-0.003	-0.022	36.482	-0.126	-0.126	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.011	-0.011	36.192	-0.260	-0.260	0.000	0.000	0.000	0.000
374	374	VAL	0	0.041	0.020	30.534	0.062	0.062	0.000	0.000	0.000	0.000
375	375	ALA	0	0.028	0.003	33.597	-0.056	-0.056	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.981	-0.972	34.527	-7.503	-7.503	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.092	-0.041	33.821	0.129	0.129	0.000	0.000	0.000	0.000
378	378	ILE	-1	-1.030	-0.996	30.779	-8.650	-8.650	0.000	0.000	0.000	0.000
379	379	A	0	-0.377	-0.311	19.904	0.082	0.082	0.000	0.000	0.000	0.000
380	379	A	-1	-0.556	-0.644	15.138	-16.098	-16.098	0.000	0.000	0.000	0.000
381	380	G	0	-0.372	-0.315	17.368	-0.599	-0.599	0.000	0.000	0.000	0.000
382	380	G	-1	-0.492	-0.602	14.322	-17.644	-17.644	0.000	0.000	0.000	0.000
383	381	A	0	-0.376	-0.314	15.599	-0.137	-0.137	0.000	0.000	0.000	0.000
384	381	A	-1	-0.632	-0.692	14.854	-18.317	-18.317	0.000	0.000	0.000	0.000
385	382	G	0	-0.311	-0.273	12.501	-0.476	-0.476	0.000	0.000	0.000	0.000
386	382	G	-1	-0.522	-0.647	10.976	-23.898	-23.898	0.000	0.000	0.000	0.000
387	383	A	0	-0.355	-0.311	9.034	-0.545	-0.545	0.000	0.000	0.000	0.000
388	383	A	-1	-0.480	-0.593	5.249	-33.798	-33.798	0.000	0.000	0.000	0.000
389	384	A	0	-0.355	-0.304	6.041	-0.842	-0.842	0.000	0.000	0.000	0.000
396	387	G	-1	-0.629	-0.698	7.845	-25.968	-25.968	0.000	0.000	0.000	0.000
398	388	G	0	0.263	0.243	8.286	1.664	1.664	0.000	0.000	0.000	0.000

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