FMO DATABASE

FMODB ID: MV41Z

Calculation Name: 6XKI-A-MD433-94ns

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	-7616071.24996
FMO2-HF: Nuclear repulsion	7446867.736981
FMO2-HF: Total energy	-169203.512979
FMO2-MP2: Total energy	-169681.241068

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.
-301.619465	-252.316932	56.948117	-23.617088	-82.633562	0.116335

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.
-251.705	-235.484	18.01	-7.775	-26.455	-0.031

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 : 1.015 / q_NPA : 1.022

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	0.860	0.900	2.284	48.132	47.306	3.087	-0.448	-1.813	0.000
108	108	GLY	0	0.022	0.020	4.335	0.528	0.536	-0.001	-0.015	0.008	0.000
132	132	GLY	0	0.026	0.010	2.584	0.585	0.448	0.331	-0.148	-0.046	0.001
133	133	ARG	1	0.812	0.862	3.362	29.045	29.097	0.018	0.191	-0.263	0.000
167	167	GLN	0	0.038	0.002	4.701	-1.102	-0.859	-0.001	-0.026	-0.216	0.000
254	254	ARG	1	0.928	0.935	3.463	46.977	47.315	0.005	-0.068	-0.274	0.000
276	276	GLY	0	0.028	-0.010	4.666	-0.920	-0.889	-0.001	-0.020	-0.010	0.000
277	277	ASP	-1	-1.037	-1.019	2.290	-67.952	-66.121	3.019	-2.428	-2.422	-0.018
278	278	MET	0	0.005	0.032	3.097	-3.992	-3.462	0.166	0.130	-0.826	-0.008
279	279	ASP	-1	-0.875	-0.943	4.392	-36.623	-36.476	-0.001	-0.015	-0.131	0.000
283	283	ARG	1	0.763	0.825	4.725	41.042	41.166	-0.001	-0.001	-0.122	0.000
390	384	A	-1	-0.482	-0.590	3.546	-42.435	-41.529	0.024	-0.223	-0.706	-0.001
391	385	G	0	-0.337	-0.297	2.705	-15.169	-8.067	4.755	-1.927	-9.930	-0.012
392	385	G	-1	-0.446	-0.562	2.177	-42.206	-38.140	5.638	-3.354	-6.349	0.002
393	386	A	0	-0.342	-0.293	3.049	-1.757	-0.189	0.776	-0.570	-1.774	0.007
394	386	A	-1	-0.571	-0.678	2.948	-37.447	-37.794	0.192	1.246	-1.091	-0.001
395	387	G	0	-0.346	-0.292	3.849	-6.107	-5.522	0.004	-0.099	-0.490	-0.001
1	1	GLU	0	-0.077	-0.056	44.284	0.099	0.099	0.000	0.000	0.000	0.000
2	2	ILE	0	-0.033	-0.017	38.867	-0.063	-0.063	0.000	0.000	0.000	0.000
3	3	VAL	0	0.019	0.012	39.271	0.132	0.132	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.896	-0.941	40.223	-6.946	-6.946	0.000	0.000	0.000	0.000
5	5	SER	0	0.058	0.006	40.217	-0.085	-0.085	0.000	0.000	0.000	0.000
6	6	PHE	0	0.023	-0.023	33.023	-0.068	-0.068	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.912	-0.947	37.699	-7.054	-7.054	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.845	-0.912	40.580	-6.723	-6.723	0.000	0.000	0.000	0.000
9	9	MET	0	-0.196	-0.093	34.249	-0.127	-0.127	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.076	-0.040	36.846	-0.193	-0.193	0.000	0.000	0.000	0.000
11	11	LEU	0	0.004	0.012	33.216	-0.104	-0.104	0.000	0.000	0.000	0.000
12	12	SER	0	0.046	0.016	34.854	0.223	0.223	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.900	-0.945	36.666	-7.186	-7.186	0.000	0.000	0.000	0.000
14	14	SER	0	-0.014	-0.011	34.752	-0.125	-0.125	0.000	0.000	0.000	0.000
15	15	LEU	0	0.025	0.014	30.342	-0.192	-0.192	0.000	0.000	0.000	0.000
16	16	LEU	0	0.020	0.007	33.691	-0.170	-0.170	0.000	0.000	0.000	0.000
17	17	ARG	1	0.917	0.967	36.575	7.792	7.792	0.000	0.000	0.000	0.000
18	18	GLY	0	0.046	0.025	32.376	-0.041	-0.041	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.023	-0.025	32.180	-0.199	-0.199	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.014	-0.010	33.505	-0.065	-0.065	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.055	-0.023	33.847	0.049	0.049	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.039	-0.014	25.682	-0.282	-0.282	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.003	0.009	31.526	-0.178	-0.178	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.081	-0.042	28.840	-0.048	-0.048	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.887	-0.943	34.642	-7.421	-7.421	0.000	0.000	0.000	0.000
26	26	LYS	1	0.919	0.948	37.125	7.310	7.310	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.032	0.024	35.137	-0.181	-0.181	0.000	0.000	0.000	0.000
28	28	SER	0	0.053	0.026	33.582	0.157	0.157	0.000	0.000	0.000	0.000
29	29	ALA	0	0.041	0.003	34.954	-0.066	-0.066	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.033	-0.017	30.390	0.023	0.023	0.000	0.000	0.000	0.000
31	31	GLN	0	0.051	0.019	29.789	0.088	0.088	0.000	0.000	0.000	0.000
32	32	GLN	0	0.071	0.037	31.185	-0.063	-0.063	0.000	0.000	0.000	0.000
33	33	ARG	1	0.868	0.922	32.552	8.025	8.025	0.000	0.000	0.000	0.000
34	34	ALA	0	0.019	0.023	27.247	-0.119	-0.119	0.000	0.000	0.000	0.000
35	35	ILE	0	0.040	0.007	28.913	-0.028	-0.028	0.000	0.000	0.000	0.000
36	36	LEU	0	0.007	0.005	30.215	0.035	0.035	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.068	-0.037	30.195	0.119	0.119	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.009	0.013	25.466	-0.144	-0.144	0.000	0.000	0.000	0.000
39	39	ILE	0	0.090	0.043	28.283	-0.085	-0.085	0.000	0.000	0.000	0.000
40	40	LYS	1	0.872	0.946	30.378	8.088	8.088	0.000	0.000	0.000	0.000
41	41	GLY	0	0.040	0.032	28.108	0.142	0.142	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.047	-0.025	27.852	-0.068	-0.068	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.686	-0.808	24.165	-10.969	-10.969	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.050	-0.020	24.607	0.324	0.324	0.000	0.000	0.000	0.000
45	45	ILE	0	0.009	0.008	23.575	-0.431	-0.431	0.000	0.000	0.000	0.000
46	46	ALA	0	0.022	-0.017	24.400	0.456	0.456	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.009	0.006	24.731	-0.201	-0.201	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.012	-0.008	25.885	0.321	0.321	0.000	0.000	0.000	0.000
49	49	GLN	0	0.020	0.001	25.814	-0.480	-0.480	0.000	0.000	0.000	0.000
50	50	SER	0	0.024	0.020	25.978	-0.109	-0.109	0.000	0.000	0.000	0.000
51	51	GLY	0	0.039	0.021	27.691	0.262	0.262	0.000	0.000	0.000	0.000
52	52	THR	0	-0.075	-0.056	28.235	0.185	0.185	0.000	0.000	0.000	0.000
53	53	GLY	0	0.063	0.039	26.844	0.093	0.093	0.000	0.000	0.000	0.000
54	54	LYS	1	0.762	0.868	19.800	13.611	13.611	0.000	0.000	0.000	0.000
55	55	THR	0	0.027	0.002	20.414	-0.158	-0.158	0.000	0.000	0.000	0.000
56	56	ALA	0	0.052	0.028	22.644	0.035	0.035	0.000	0.000	0.000	0.000
57	57	THR	0	-0.015	-0.006	26.045	0.385	0.385	0.000	0.000	0.000	0.000
58	58	PHE	0	0.032	0.027	18.671	0.270	0.270	0.000	0.000	0.000	0.000
59	59	ALA	0	0.009	0.008	23.438	0.077	0.077	0.000	0.000	0.000	0.000
60	60	ILE	0	0.032	0.011	24.463	0.172	0.172	0.000	0.000	0.000	0.000
61	61	SER	0	-0.033	-0.043	25.759	0.329	0.329	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.021	-0.005	20.706	0.109	0.109	0.000	0.000	0.000	0.000
63	63	LEU	0	0.010	-0.009	25.185	0.194	0.194	0.000	0.000	0.000	0.000
64	64	GLN	0	0.021	0.016	27.495	0.168	0.168	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.079	-0.048	26.459	0.336	0.336	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.085	-0.028	24.555	-0.065	-0.065	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.857	-0.926	28.528	-8.146	-8.146	0.000	0.000	0.000	0.000
68	68	LEU	0	-0.017	-0.017	29.187	-0.330	-0.330	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.915	-0.938	31.031	-8.153	-8.153	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.138	-0.065	27.133	-0.073	-0.073	0.000	0.000	0.000	0.000
71	71	LYS	1	0.959	0.966	26.797	9.056	9.056	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.031	-0.009	22.979	-0.337	-0.337	0.000	0.000	0.000	0.000
73	73	THR	0	-0.013	-0.011	18.279	0.126	0.126	0.000	0.000	0.000	0.000
74	74	GLN	0	0.001	0.001	21.184	0.078	0.078	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.002	-0.005	20.591	0.112	0.112	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.010	-0.001	12.838	-0.338	-0.338	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.019	-0.006	15.438	0.419	0.419	0.000	0.000	0.000	0.000
78	78	LEU	0	0.000	-0.004	9.043	-0.880	-0.880	0.000	0.000	0.000	0.000
79	79	ALA	0	0.008	0.011	11.050	0.980	0.980	0.000	0.000	0.000	0.000
80	80	PRO	0	0.047	0.021	8.966	-1.343	-1.343	0.000	0.000	0.000	0.000
81	81	THR	0	0.021	0.016	7.212	-2.379	-2.379	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.773	-0.876	8.770	-26.847	-26.847	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.001	0.013	11.649	1.738	1.738	0.000	0.000	0.000	0.000
85	85	ALA	0	0.009	0.002	11.250	1.288	1.288	0.000	0.000	0.000	0.000
86	86	GLN	0	0.000	-0.010	12.520	2.121	2.121	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.005	0.008	14.733	0.756	0.756	0.000	0.000	0.000	0.000
88	88	ILE	0	0.006	-0.006	15.225	0.956	0.956	0.000	0.000	0.000	0.000
89	89	GLN	0	0.035	0.011	16.974	0.592	0.592	0.000	0.000	0.000	0.000
90	90	LYS	1	0.920	0.957	18.785	14.152	14.152	0.000	0.000	0.000	0.000
91	91	VAL	0	0.006	0.016	21.409	0.533	0.533	0.000	0.000	0.000	0.000
92	92	VAL	0	0.014	-0.007	20.666	0.553	0.553	0.000	0.000	0.000	0.000
93	93	MET	0	-0.040	-0.012	22.249	0.417	0.417	0.000	0.000	0.000	0.000
94	94	ALA	0	0.005	0.025	24.688	0.360	0.360	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.030	-0.017	26.431	0.373	0.373	0.000	0.000	0.000	0.000
96	96	GLY	0	0.033	-0.004	27.264	0.348	0.348	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.977	-0.966	28.536	-9.597	-9.597	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.030	-0.028	29.991	0.141	0.141	0.000	0.000	0.000	0.000
99	99	MET	0	-0.083	-0.032	30.355	0.124	0.124	0.000	0.000	0.000	0.000
100	100	GLY	0	0.020	0.018	31.006	0.181	0.181	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.024	-0.004	26.673	-0.084	-0.084	0.000	0.000	0.000	0.000
102	102	SER	0	-0.005	0.002	24.343	-0.301	-0.301	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.030	-0.030	19.379	-0.214	-0.214	0.000	0.000	0.000	0.000
104	104	HIS	0	0.011	-0.002	15.111	0.630	0.630	0.000	0.000	0.000	0.000
105	105	ALA	0	0.008	0.003	13.728	-0.187	-0.187	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.087	-0.032	11.464	0.176	0.176	0.000	0.000	0.000	0.000
107	107	ILE	0	0.010	-0.005	8.064	-0.622	-0.622	0.000	0.000	0.000	0.000
109	109	GLY	0	0.005	-0.008	5.149	-0.179	-0.179	0.000	0.000	0.000	0.000
110	110	THR	0	-0.052	-0.028	6.458	3.696	3.696	0.000	0.000	0.000	0.000
111	111	ASN	0	0.053	0.026	9.641	1.010	1.010	0.000	0.000	0.000	0.000
112	112	VAL	0	0.102	0.059	10.447	1.140	1.140	0.000	0.000	0.000	0.000
113	113	ARG	1	0.914	0.963	12.823	14.816	14.816	0.000	0.000	0.000	0.000
114	114	ALA	0	0.040	0.000	15.481	0.801	0.801	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.758	-0.854	11.819	-19.119	-19.119	0.000	0.000	0.000	0.000
116	116	VAL	0	0.023	-0.006	14.914	0.933	0.933	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.088	-0.035	17.360	0.438	0.438	0.000	0.000	0.000	0.000
118	118	LYS	1	0.969	0.985	17.408	15.679	15.679	0.000	0.000	0.000	0.000
119	119	LEU	0	0.046	0.032	15.427	0.619	0.619	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.092	-0.061	19.380	0.828	0.828	0.000	0.000	0.000	0.000
121	121	MET	0	-0.085	-0.042	22.234	0.637	0.637	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.951	-0.973	20.839	-12.155	-12.155	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.080	-0.027	23.123	0.282	0.282	0.000	0.000	0.000	0.000
124	124	PRO	0	0.033	0.032	19.290	0.274	0.274	0.000	0.000	0.000	0.000
125	125	HIS	0	0.114	0.063	21.714	-0.424	-0.424	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.050	-0.031	19.315	0.004	0.004	0.000	0.000	0.000	0.000
127	127	ILE	0	0.016	0.003	14.165	-0.247	-0.247	0.000	0.000	0.000	0.000
128	128	VAL	0	0.005	0.005	14.148	0.060	0.060	0.000	0.000	0.000	0.000
129	129	GLY	0	0.027	0.004	10.816	-0.292	-0.292	0.000	0.000	0.000	0.000
130	130	THR	0	-0.014	-0.020	6.084	0.890	0.890	0.000	0.000	0.000	0.000
131	131	PRO	0	0.039	0.007	4.829	0.453	0.453	0.000	0.000	0.000	0.000
134	134	VAL	0	0.028	0.005	6.766	2.241	2.241	0.000	0.000	0.000	0.000
135	135	PHE	0	0.050	0.011	5.756	1.946	1.946	0.000	0.000	0.000	0.000
136	136	ASP	-1	-0.892	-0.907	7.019	-21.837	-21.837	0.000	0.000	0.000	0.000
137	137	MET	0	-0.008	-0.012	8.531	2.181	2.181	0.000	0.000	0.000	0.000
138	138	LEU	0	0.013	0.021	10.759	1.432	1.432	0.000	0.000	0.000	0.000
139	139	ASN	0	-0.120	-0.062	9.735	2.076	2.076	0.000	0.000	0.000	0.000
140	140	ARG	1	0.918	0.960	12.613	18.465	18.465	0.000	0.000	0.000	0.000
141	141	ARG	1	0.869	0.928	14.527	14.183	14.183	0.000	0.000	0.000	0.000
142	142	TYR	0	0.005	0.013	15.208	0.687	0.687	0.000	0.000	0.000	0.000
143	143	LEU	0	0.044	0.045	12.110	0.495	0.495	0.000	0.000	0.000	0.000
144	144	SER	0	-0.006	-0.033	16.045	0.010	0.010	0.000	0.000	0.000	0.000
145	145	PRO	0	0.037	0.015	16.648	0.356	0.356	0.000	0.000	0.000	0.000
146	146	LYS	1	0.858	0.946	19.272	10.575	10.575	0.000	0.000	0.000	0.000
147	147	TYR	0	0.007	-0.006	21.677	0.401	0.401	0.000	0.000	0.000	0.000
148	148	ILE	0	0.003	0.019	16.445	0.173	0.173	0.000	0.000	0.000	0.000
149	149	LYS	1	0.924	0.965	20.795	10.079	10.079	0.000	0.000	0.000	0.000
150	150	MET	0	-0.017	0.000	21.549	0.233	0.233	0.000	0.000	0.000	0.000
151	151	PHE	0	0.021	0.000	12.979	-0.415	-0.415	0.000	0.000	0.000	0.000
152	152	VAL	0	-0.002	0.000	17.805	0.257	0.257	0.000	0.000	0.000	0.000
153	153	LEU	0	0.010	0.004	13.470	-0.888	-0.888	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.768	-0.898	15.685	-13.031	-13.031	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.819	-0.896	14.755	-15.937	-15.937	0.000	0.000	0.000	0.000
156	156	ALA	0	-0.006	-0.008	15.336	-0.621	-0.621	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.775	-0.843	15.942	-14.694	-14.694	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.866	-0.923	12.464	-19.429	-19.429	0.000	0.000	0.000	0.000
159	159	MET	0	-0.052	-0.004	10.898	-1.207	-1.207	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.052	-0.030	12.327	-0.330	-0.330	0.000	0.000	0.000	0.000
161	161	SER	0	0.021	-0.006	13.943	0.680	0.680	0.000	0.000	0.000	0.000
162	162	ARG	1	0.773	0.826	12.949	17.818	17.818	0.000	0.000	0.000	0.000
163	163	GLY	0	0.053	0.054	10.662	-0.647	-0.647	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.023	-0.028	6.762	-1.894	-1.894	0.000	0.000	0.000	0.000
165	165	LYS	1	0.947	0.983	9.059	15.835	15.835	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.921	-0.953	8.617	-18.400	-18.400	0.000	0.000	0.000	0.000
168	168	ILE	0	0.005	-0.003	7.088	0.740	0.740	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.009	-0.002	10.164	1.279	1.279	0.000	0.000	0.000	0.000
170	170	ASP	-1	-0.873	-0.936	8.364	-18.175	-18.175	0.000	0.000	0.000	0.000
171	171	ILE	0	-0.074	-0.039	6.728	0.774	0.774	0.000	0.000	0.000	0.000
172	172	PHE	0	-0.012	-0.009	10.368	0.938	0.938	0.000	0.000	0.000	0.000
173	173	GLN	0	0.006	-0.004	13.620	0.907	0.907	0.000	0.000	0.000	0.000
174	174	LYS	1	0.874	0.953	11.714	16.172	16.172	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.046	-0.010	14.925	0.515	0.515	0.000	0.000	0.000	0.000
176	176	ASN	0	0.035	0.015	17.508	0.083	0.083	0.000	0.000	0.000	0.000
177	177	SER	0	0.004	-0.013	21.315	0.010	0.010	0.000	0.000	0.000	0.000
178	178	ASN	0	0.010	0.011	23.829	-0.048	-0.048	0.000	0.000	0.000	0.000
179	179	THR	0	-0.037	0.001	19.480	0.108	0.108	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.040	-0.021	22.485	-0.153	-0.153	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.019	-0.013	18.688	-0.472	-0.472	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.010	-0.013	20.059	0.515	0.515	0.000	0.000	0.000	0.000
183	183	LEU	0	0.011	0.010	18.869	-0.592	-0.592	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.008	-0.013	19.728	0.634	0.634	0.000	0.000	0.000	0.000
185	185	SER	0	0.014	-0.024	19.503	-0.653	-0.653	0.000	0.000	0.000	0.000
186	186	ALA	0	0.039	0.030	21.452	0.468	0.468	0.000	0.000	0.000	0.000
187	187	THR	0	0.003	0.008	21.134	0.496	0.496	0.000	0.000	0.000	0.000
188	188	MET	0	-0.019	-0.022	22.116	-0.317	-0.317	0.000	0.000	0.000	0.000
189	189	PRO	0	0.061	0.051	21.383	0.513	0.513	0.000	0.000	0.000	0.000
190	190	SER	0	0.024	0.002	24.246	0.082	0.082	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.920	-0.964	23.395	-10.961	-10.961	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.033	-0.004	19.082	-0.314	-0.314	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.005	-0.016	21.376	-0.012	-0.012	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.909	-0.932	24.039	-9.672	-9.672	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.036	-0.020	17.460	0.093	0.093	0.000	0.000	0.000	0.000
196	196	THR	0	-0.026	-0.028	20.218	-0.003	-0.003	0.000	0.000	0.000	0.000
197	197	LYS	1	0.953	0.977	21.321	9.622	9.622	0.000	0.000	0.000	0.000
198	198	LYS	1	0.894	0.953	19.036	11.825	11.825	0.000	0.000	0.000	0.000
199	199	PHE	0	0.007	-0.002	13.933	-0.308	-0.308	0.000	0.000	0.000	0.000
200	200	MET	0	-0.075	-0.023	19.486	-0.007	-0.007	0.000	0.000	0.000	0.000
201	201	ARG	1	0.770	0.843	21.884	11.114	11.114	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.971	-0.977	26.103	-8.403	-8.403	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.007	0.008	25.414	0.095	0.095	0.000	0.000	0.000	0.000
204	204	ILE	0	0.000	-0.008	27.696	0.248	0.248	0.000	0.000	0.000	0.000
205	205	ARG	1	0.965	0.982	27.652	9.193	9.193	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.024	-0.005	28.903	0.366	0.366	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.001	-0.005	26.706	-0.333	-0.333	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.014	-0.012	29.636	0.355	0.355	0.000	0.000	0.000	0.000
209	209	LYS	1	0.983	0.993	30.092	8.177	8.177	0.000	0.000	0.000	0.000
210	210	LYS	1	0.911	0.951	29.304	9.852	9.852	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.938	-0.970	30.251	-8.383	-8.383	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.921	-0.951	32.662	-8.106	-8.106	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.116	-0.047	26.536	-0.089	-0.089	0.000	0.000	0.000	0.000
214	214	THR	0	0.006	0.003	29.006	-0.396	-0.396	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.029	-0.012	26.115	0.082	0.082	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.913	-0.956	30.665	-8.223	-8.223	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.037	-0.020	32.488	0.127	0.127	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.062	-0.021	27.777	-0.001	-0.001	0.000	0.000	0.000	0.000
219	219	ARG	1	0.964	0.992	31.714	8.374	8.374	0.000	0.000	0.000	0.000
220	220	GLN	0	0.068	0.036	30.607	-0.442	-0.442	0.000	0.000	0.000	0.000
221	221	PHE	0	0.026	0.007	31.099	0.338	0.338	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.038	-0.022	30.443	-0.478	-0.478	0.000	0.000	0.000	0.000
223	223	ILE	0	0.079	0.035	29.978	0.271	0.271	0.000	0.000	0.000	0.000
224	224	ASN	0	0.000	-0.001	31.045	-0.464	-0.464	0.000	0.000	0.000	0.000
225	225	VAL	0	0.041	0.011	28.497	0.130	0.130	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.908	-0.947	31.937	-8.490	-8.490	0.000	0.000	0.000	0.000
227	227	ARG	1	0.890	0.940	30.611	8.823	8.823	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.740	-0.868	23.136	-12.730	-12.730	0.000	0.000	0.000	0.000
229	229	GLU	-1	-1.017	-1.016	26.631	-9.866	-9.866	0.000	0.000	0.000	0.000
230	230	TRP	0	0.027	0.011	28.481	0.087	0.087	0.000	0.000	0.000	0.000
231	231	LYS	1	0.821	0.912	22.515	12.763	12.763	0.000	0.000	0.000	0.000
232	232	LEU	0	0.001	-0.003	23.942	-0.113	-0.113	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.809	-0.906	26.528	-9.726	-9.726	0.000	0.000	0.000	0.000
234	234	THR	0	0.027	0.011	29.418	0.211	0.211	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.052	-0.023	22.925	0.013	0.013	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.093	-0.054	27.453	-0.100	-0.100	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.877	-0.925	29.193	-8.793	-8.793	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.020	-0.017	27.524	0.136	0.136	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.018	-0.039	23.837	-0.206	-0.206	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.911	-0.918	29.577	-8.496	-8.496	0.000	0.000	0.000	0.000
241	241	THR	0	-0.016	-0.007	30.974	0.217	0.217	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.048	-0.037	25.060	-0.077	-0.077	0.000	0.000	0.000	0.000
243	243	THR	0	-0.010	-0.005	27.718	-0.341	-0.341	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.036	-0.008	29.994	-0.033	-0.033	0.000	0.000	0.000	0.000
245	245	THR	0	-0.045	-0.020	29.358	-0.068	-0.068	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.013	-0.004	22.610	0.227	0.227	0.000	0.000	0.000	0.000
247	247	ALA	0	0.009	0.003	24.064	0.137	0.137	0.000	0.000	0.000	0.000
248	248	VAL	0	0.004	0.003	18.001	-0.462	-0.462	0.000	0.000	0.000	0.000
249	249	ILE	0	-0.006	0.006	19.461	0.475	0.475	0.000	0.000	0.000	0.000
250	250	PHE	0	0.018	0.002	15.800	-0.825	-0.825	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.020	-0.016	15.119	0.843	0.843	0.000	0.000	0.000	0.000
252	252	ASN	0	0.024	0.005	14.870	-1.169	-1.169	0.000	0.000	0.000	0.000
253	253	THR	0	-0.009	0.003	12.650	-0.599	-0.599	0.000	0.000	0.000	0.000
255	255	ARG	1	0.933	0.966	8.376	27.711	27.711	0.000	0.000	0.000	0.000
256	256	LYS	1	0.819	0.904	12.878	15.444	15.444	0.000	0.000	0.000	0.000
257	257	VAL	0	0.030	0.017	11.927	0.885	0.885	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.849	-0.901	10.605	-24.554	-24.554	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.036	-0.013	13.685	1.111	1.111	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.006	-0.022	17.140	0.851	0.851	0.000	0.000	0.000	0.000
261	261	THR	0	0.014	-0.001	15.916	0.855	0.855	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.880	-0.940	17.414	-14.754	-14.754	0.000	0.000	0.000	0.000
263	263	LYS	1	0.826	0.929	19.921	14.465	14.465	0.000	0.000	0.000	0.000
264	264	MET	0	-0.013	-0.006	21.843	0.372	0.372	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.014	-0.002	18.883	0.409	0.409	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.033	-0.007	23.386	0.429	0.429	0.000	0.000	0.000	0.000
267	267	ARG	1	0.804	0.891	25.606	10.597	10.597	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.896	-0.935	26.988	-9.816	-9.816	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.030	-0.014	25.752	0.134	0.134	0.000	0.000	0.000	0.000
270	270	THR	0	-0.011	-0.011	24.448	-0.417	-0.417	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.010	-0.011	19.514	0.064	0.064	0.000	0.000	0.000	0.000
272	272	SER	0	0.015	0.026	17.048	-0.531	-0.531	0.000	0.000	0.000	0.000
273	273	ALA	0	0.042	0.015	14.139	0.307	0.307	0.000	0.000	0.000	0.000
274	274	MET	0	-0.019	-0.008	10.123	-0.141	-0.141	0.000	0.000	0.000	0.000
275	275	HIS	0	-0.019	-0.040	6.961	-2.088	-2.088	0.000	0.000	0.000	0.000
280	280	GLN	0	0.044	0.023	6.102	-0.986	-0.986	0.000	0.000	0.000	0.000
281	281	LYS	1	0.921	0.951	7.569	24.408	24.408	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.900	-0.932	9.335	-19.353	-19.353	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.981	-0.981	10.062	-17.777	-17.777	0.000	0.000	0.000	0.000
285	285	VAL	0	0.008	-0.012	12.823	1.596	1.596	0.000	0.000	0.000	0.000
286	286	ILE	0	0.024	0.031	11.446	1.182	1.182	0.000	0.000	0.000	0.000
287	287	MET	0	0.005	0.002	14.092	1.629	1.629	0.000	0.000	0.000	0.000
288	288	ARG	1	0.759	0.853	15.762	16.239	16.239	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.742	-0.855	18.294	-14.103	-14.103	0.000	0.000	0.000	0.000
290	290	PHE	0	-0.028	0.008	18.466	0.693	0.693	0.000	0.000	0.000	0.000
291	291	ARG	1	0.875	0.918	17.738	15.820	15.820	0.000	0.000	0.000	0.000
292	292	SER	0	-0.022	0.000	21.687	0.553	0.553	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.030	-0.008	23.819	0.525	0.525	0.000	0.000	0.000	0.000
294	294	SER	0	-0.086	-0.015	23.212	0.299	0.299	0.000	0.000	0.000	0.000
295	295	SER	0	0.024	-0.002	19.447	0.316	0.316	0.000	0.000	0.000	0.000
296	296	ARG	1	0.920	0.944	22.456	10.212	10.212	0.000	0.000	0.000	0.000
297	297	VAL	0	0.020	-0.002	21.163	0.051	0.051	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.033	-0.008	14.728	-0.327	-0.327	0.000	0.000	0.000	0.000
299	299	ILE	0	0.024	0.004	15.045	0.201	0.201	0.000	0.000	0.000	0.000
300	300	THR	0	-0.025	-0.041	13.009	-1.449	-1.449	0.000	0.000	0.000	0.000
301	301	THR	0	0.023	0.003	8.904	1.450	1.450	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.770	-0.869	12.154	-17.874	-17.874	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.017	0.018	7.663	0.144	0.144	0.000	0.000	0.000	0.000
304	304	LEU	0	0.003	-0.016	10.774	0.777	0.777	0.000	0.000	0.000	0.000
305	305	ALA	0	0.014	0.015	13.948	1.336	1.336	0.000	0.000	0.000	0.000
306	306	ARG	1	0.849	0.898	14.068	16.933	16.933	0.000	0.000	0.000	0.000
307	307	GLY	0	0.039	0.020	15.456	-0.559	-0.559	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.040	-0.017	13.893	0.696	0.696	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.894	-0.935	17.686	-11.795	-11.795	0.000	0.000	0.000	0.000
310	310	VAL	0	0.013	0.015	19.213	0.045	0.045	0.000	0.000	0.000	0.000
311	311	GLN	0	0.045	0.013	21.871	0.071	0.071	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.017	-0.028	24.731	0.264	0.264	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.031	0.003	22.289	0.317	0.317	0.000	0.000	0.000	0.000
314	314	SER	0	-0.019	-0.004	25.778	0.021	0.021	0.000	0.000	0.000	0.000
315	315	LEU	0	0.047	0.010	26.918	0.093	0.093	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.014	-0.005	22.303	-0.522	-0.522	0.000	0.000	0.000	0.000
317	317	ILE	0	0.005	0.002	22.901	0.501	0.501	0.000	0.000	0.000	0.000
318	318	ASN	0	0.001	-0.010	21.515	-1.290	-1.290	0.000	0.000	0.000	0.000
319	319	TYR	0	0.071	0.028	20.275	0.632	0.632	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.776	-0.878	18.799	-14.457	-14.457	0.000	0.000	0.000	0.000
321	321	LEU	0	0.030	0.019	20.920	-0.294	-0.294	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.008	0.019	20.005	-0.380	-0.380	0.000	0.000	0.000	0.000
323	323	THR	0	0.015	-0.007	19.314	0.606	0.606	0.000	0.000	0.000	0.000
324	324	ASN	0	0.025	0.017	19.323	0.544	0.544	0.000	0.000	0.000	0.000
325	325	ARG	1	0.951	0.973	21.290	11.852	11.852	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.846	-0.924	21.202	-12.145	-12.145	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.056	-0.046	17.116	-0.014	-0.014	0.000	0.000	0.000	0.000
328	328	TYR	0	-0.017	-0.023	19.978	-0.355	-0.355	0.000	0.000	0.000	0.000
329	329	ILE	0	0.011	0.008	23.108	-0.014	-0.014	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.059	-0.032	18.627	-0.114	-0.114	0.000	0.000	0.000	0.000
331	331	ARG	1	0.805	0.879	16.514	16.101	16.101	0.000	0.000	0.000	0.000
332	332	ILE	0	-0.003	-0.003	20.682	0.038	0.038	0.000	0.000	0.000	0.000
333	333	GLY	0	0.025	0.024	22.759	0.399	0.399	0.000	0.000	0.000	0.000
334	334	ARG	1	0.757	0.862	18.048	14.784	14.784	0.000	0.000	0.000	0.000
335	335	GLY	0	0.020	0.017	22.080	0.016	0.016	0.000	0.000	0.000	0.000
336	336	GLY	0	0.025	0.007	25.770	0.106	0.106	0.000	0.000	0.000	0.000
337	337	ARG	1	0.782	0.916	23.140	12.612	12.612	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.032	-0.043	27.216	0.291	0.291	0.000	0.000	0.000	0.000
339	339	GLY	0	0.021	0.019	29.621	0.246	0.246	0.000	0.000	0.000	0.000
340	340	ARG	1	0.858	0.946	29.278	10.536	10.536	0.000	0.000	0.000	0.000
341	341	LYS	1	0.863	0.916	32.274	8.170	8.170	0.000	0.000	0.000	0.000
342	342	GLY	0	0.084	0.034	30.240	-0.292	-0.292	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.054	-0.019	29.545	0.312	0.312	0.000	0.000	0.000	0.000
344	344	ALA	0	0.005	0.003	27.083	-0.435	-0.435	0.000	0.000	0.000	0.000
345	345	ILE	0	0.017	0.016	27.205	0.336	0.336	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.016	-0.019	26.162	-0.949	-0.949	0.000	0.000	0.000	0.000
347	347	MET	0	-0.015	-0.005	25.423	0.265	0.265	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.015	0.003	26.663	-0.279	-0.279	0.000	0.000	0.000	0.000
349	349	THR	0	-0.002	-0.017	27.369	0.339	0.339	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.967	-0.994	30.024	-8.511	-8.511	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.950	-0.969	27.786	-10.123	-10.123	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.889	-0.911	25.870	-11.762	-11.762	0.000	0.000	0.000	0.000
353	353	LYS	1	0.965	0.979	28.777	8.573	8.573	0.000	0.000	0.000	0.000
354	354	ARG	1	0.814	0.891	31.129	9.387	9.387	0.000	0.000	0.000	0.000
355	355	THR	0	0.073	0.028	25.389	0.140	0.140	0.000	0.000	0.000	0.000
356	356	LEU	0	0.034	0.021	28.808	-0.160	-0.160	0.000	0.000	0.000	0.000
357	357	ARG	1	0.966	0.981	30.554	8.548	8.548	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.852	-0.910	29.640	-9.691	-9.691	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.049	-0.021	25.827	-0.102	-0.102	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.853	-0.924	29.505	-8.689	-8.689	0.000	0.000	0.000	0.000
361	361	THR	0	-0.048	-0.035	33.097	0.248	0.248	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.089	-0.040	26.357	0.128	0.128	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.011	-0.042	25.024	-0.026	-0.026	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.040	-0.009	31.705	0.142	0.142	0.000	0.000	0.000	0.000
365	365	THR	0	-0.013	0.004	31.882	0.180	0.180	0.000	0.000	0.000	0.000
366	366	SER	0	-0.058	-0.047	35.022	0.031	0.031	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.070	-0.035	30.072	-0.174	-0.174	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.841	-0.895	34.231	-7.985	-7.985	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.974	-0.995	34.955	-8.227	-8.227	0.000	0.000	0.000	0.000
370	370	MET	0	-0.062	-0.022	32.151	-0.017	-0.017	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.029	-0.016	35.340	0.169	0.169	0.000	0.000	0.000	0.000
372	372	LEU	0	0.017	0.005	36.580	-0.146	-0.146	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.011	-0.008	37.114	-0.218	-0.218	0.000	0.000	0.000	0.000
374	374	VAL	0	0.012	-0.002	31.893	0.067	0.067	0.000	0.000	0.000	0.000
375	375	ALA	0	0.023	0.005	34.831	-0.075	-0.075	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.883	-0.930	35.669	-7.550	-7.550	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.125	-0.065	33.835	0.123	0.123	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.906	-0.921	33.558	-8.344	-8.344	0.000	0.000	0.000	0.000
379	379	A	0	-0.353	-0.292	20.658	0.146	0.146	0.000	0.000	0.000	0.000
380	379	A	-1	-0.561	-0.648	16.404	-16.173	-16.173	0.000	0.000	0.000	0.000
381	380	G	0	-0.372	-0.312	19.533	-0.516	-0.516	0.000	0.000	0.000	0.000
382	380	G	-1	-0.532	-0.623	17.025	-15.966	-15.966	0.000	0.000	0.000	0.000
383	381	A	0	-0.385	-0.316	16.320	-0.361	-0.361	0.000	0.000	0.000	0.000
384	381	A	-1	-0.598	-0.678	14.526	-18.174	-18.174	0.000	0.000	0.000	0.000
385	382	G	0	-0.333	-0.284	12.904	-0.321	-0.321	0.000	0.000	0.000	0.000
386	382	G	-1	-0.530	-0.652	10.459	-25.596	-25.596	0.000	0.000	0.000	0.000
387	383	A	0	-0.341	-0.291	9.292	-0.548	-0.548	0.000	0.000	0.000	0.000
388	383	A	-1	-0.449	-0.567	5.788	-34.701	-34.701	0.000	0.000	0.000	0.000
389	384	A	0	-0.368	-0.310	6.158	-1.290	-1.290	0.000	0.000	0.000	0.000
396	387	G	-1	-0.618	-0.680	7.569	-28.105	-28.105	0.000	0.000	0.000	0.000
397	388	G	0	-0.325	-0.289	6.729	-4.181	-4.181	0.000	0.000	0.000	0.000
398	388	G	0	0.251	0.234	9.951	1.602	1.602	0.000	0.000	0.000	0.000

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