FMO DATABASE

FMODB ID: 17MMZ

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

Total energy (hartree)

FMO2-HF: Electronic energy	-7609721.186598
FMO2-HF: Nuclear repulsion	7440666.59229
FMO2-HF: Total energy	-169054.594308
FMO2-MP2: Total energy	-169531.914675

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.
-303.623598	-255.572006	51.026229	-22.060693	-77.017128	0.072263

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.
-55.388	-21.907	36.557	-16.064	-53.969	-0.051

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 : -0.064 / q_NPA : -0.013

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	0.006	-0.007	3.311	-0.943	0.100	0.826	-0.377	-1.492	0.001
132	132	GLY	0	0.038	0.021	2.378	-2.003	-0.342	7.158	-3.826	-4.994	-0.006
133	133	ARG	1	0.810	0.862	2.678	0.901	-0.130	0.640	2.619	-2.228	-0.016
134	134	VAL	0	0.030	0.014	5.199	-0.328	-0.153	-0.001	-0.014	-0.159	0.000
135	135	PHE	0	0.029	0.002	2.605	-12.676	-5.494	12.661	-4.502	-15.341	0.016
136	136	ASP	-1	-0.774	-0.843	2.835	-4.868	-2.738	0.254	-0.728	-1.656	0.000
137	137	MET	0	0.015	-0.002	3.484	0.233	0.418	0.017	0.065	-0.266	0.000
139	139	ASN	0	-0.106	-0.046	3.241	-0.580	0.275	0.086	-0.215	-0.726	0.000
140	140	ARG	1	0.758	0.863	5.161	0.982	1.046	-0.001	-0.001	-0.061	0.000
167	167	GLN	0	0.036	0.010	2.753	-7.757	-4.105	5.717	-2.571	-6.798	-0.006
168	168	ILE	0	0.020	0.001	2.770	-3.638	-2.232	0.830	-0.405	-1.831	-0.008
169	169	TYR	0	0.025	0.009	5.385	-0.181	-0.144	-0.001	-0.005	-0.030	0.000
170	170	ASP	-1	-0.889	-0.941	2.335	-3.344	-0.901	1.363	-1.346	-2.459	-0.008
171	171	ILE	0	-0.064	-0.035	2.383	-1.035	0.550	0.872	-0.468	-1.989	-0.002
172	172	PHE	0	-0.023	-0.013	4.412	0.490	0.534	-0.001	-0.026	-0.017	0.000
391	385	A	0	-0.323	-0.292	3.626	-1.614	-0.792	0.030	-0.287	-0.565	-0.002
392	385	A	-1	-0.443	-0.576	2.434	-3.710	-1.495	0.644	-1.045	-1.814	-0.008
393	386	A	0	-0.339	-0.290	2.635	-9.040	-0.825	5.279	-2.655	-10.838	-0.014
394	386	A	-1	-0.555	-0.628	2.905	-1.214	-0.416	0.184	-0.277	-0.705	0.002
1	1	GLU	0	-0.136	-0.082	35.597	0.002	0.002	0.000	0.000	0.000	0.000
2	2	ILE	0	0.006	-0.007	33.762	0.001	0.001	0.000	0.000	0.000	0.000
3	3	VAL	0	0.086	0.049	33.360	0.001	0.001	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.953	-0.971	35.460	-0.028	-0.028	0.000	0.000	0.000	0.000
5	5	SER	0	0.054	0.016	37.133	-0.002	-0.002	0.000	0.000	0.000	0.000
6	6	PHE	0	0.005	-0.026	31.524	0.001	0.001	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.903	-0.936	35.833	-0.026	-0.026	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.905	-0.952	37.865	-0.015	-0.015	0.000	0.000	0.000	0.000
9	9	MET	0	-0.141	-0.073	31.419	0.001	0.001	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.097	-0.038	33.188	0.003	0.003	0.000	0.000	0.000	0.000
11	11	LEU	0	0.015	0.014	30.500	0.001	0.001	0.000	0.000	0.000	0.000
12	12	SER	0	0.013	-0.025	31.829	0.003	0.003	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.920	-0.957	34.122	-0.029	-0.029	0.000	0.000	0.000	0.000
14	14	SER	0	-0.020	-0.021	33.031	-0.003	-0.003	0.000	0.000	0.000	0.000
15	15	LEU	0	0.026	0.016	28.397	-0.005	-0.005	0.000	0.000	0.000	0.000
16	16	LEU	0	0.020	0.007	31.867	-0.006	-0.006	0.000	0.000	0.000	0.000
17	17	ARG	1	0.908	0.963	34.716	0.040	0.040	0.000	0.000	0.000	0.000
18	18	GLY	0	0.045	0.024	31.770	-0.003	-0.003	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.007	-0.009	30.401	-0.006	-0.006	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.014	-0.012	32.498	-0.004	-0.004	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.049	-0.010	34.812	-0.001	-0.001	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.045	-0.017	26.773	-0.006	-0.006	0.000	0.000	0.000	0.000
23	23	GLY	0	0.011	0.000	32.540	-0.005	-0.005	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.073	-0.024	28.389	0.000	0.000	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.893	-0.958	34.262	-0.047	-0.047	0.000	0.000	0.000	0.000
26	26	LYS	1	0.957	0.968	36.318	0.048	0.048	0.000	0.000	0.000	0.000
27	27	PRO	0	0.005	0.031	32.636	-0.004	-0.004	0.000	0.000	0.000	0.000
28	28	SER	0	0.027	0.004	31.381	0.004	0.004	0.000	0.000	0.000	0.000
29	29	ALA	0	0.029	0.002	32.253	0.001	0.001	0.000	0.000	0.000	0.000
30	30	ILE	0	0.019	0.015	26.387	0.004	0.004	0.000	0.000	0.000	0.000
31	31	GLN	0	0.020	0.002	27.482	0.008	0.008	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.001	-0.001	29.425	0.006	0.006	0.000	0.000	0.000	0.000
33	33	ARG	1	0.909	0.965	29.777	0.017	0.017	0.000	0.000	0.000	0.000
34	34	ALA	0	-0.007	-0.006	25.342	0.004	0.004	0.000	0.000	0.000	0.000
35	35	ILE	0	0.068	0.038	26.170	0.004	0.004	0.000	0.000	0.000	0.000
36	36	LEU	0	0.009	0.018	27.004	0.005	0.005	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.036	-0.032	26.604	0.006	0.006	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.004	0.006	22.944	0.006	0.006	0.000	0.000	0.000	0.000
39	39	ILE	0	0.034	0.024	23.975	0.006	0.006	0.000	0.000	0.000	0.000
40	40	LYS	1	0.877	0.935	26.342	0.002	0.002	0.000	0.000	0.000	0.000
41	41	GLY	0	0.025	0.023	23.495	0.006	0.006	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.049	-0.020	23.421	0.009	0.009	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.814	-0.895	19.100	0.040	0.040	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.064	-0.045	20.625	0.000	0.000	0.000	0.000	0.000	0.000
45	45	ILE	0	0.009	0.011	19.499	-0.007	-0.007	0.000	0.000	0.000	0.000
46	46	ALA	0	-0.022	-0.023	21.589	0.006	0.006	0.000	0.000	0.000	0.000
47	47	GLN	0	0.000	0.013	22.651	-0.003	-0.003	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.001	-0.014	24.494	0.009	0.009	0.000	0.000	0.000	0.000
49	49	GLN	0	0.013	0.000	25.315	-0.014	-0.014	0.000	0.000	0.000	0.000
50	50	SER	0	0.041	0.007	23.692	0.003	0.003	0.000	0.000	0.000	0.000
51	51	GLY	0	-0.002	0.004	25.452	0.001	0.001	0.000	0.000	0.000	0.000
52	52	THR	0	-0.063	-0.033	27.555	0.007	0.007	0.000	0.000	0.000	0.000
53	53	GLY	0	0.046	0.031	27.285	0.006	0.006	0.000	0.000	0.000	0.000
54	54	LYS	1	0.759	0.857	19.642	0.172	0.172	0.000	0.000	0.000	0.000
55	55	THR	0	0.016	-0.006	20.373	-0.003	-0.003	0.000	0.000	0.000	0.000
56	56	ALA	0	0.052	0.029	22.211	0.004	0.004	0.000	0.000	0.000	0.000
57	57	THR	0	0.009	0.014	23.777	0.009	0.009	0.000	0.000	0.000	0.000
58	58	PHE	0	0.045	0.035	18.198	0.011	0.011	0.000	0.000	0.000	0.000
59	59	ALA	0	0.014	0.008	21.562	0.009	0.009	0.000	0.000	0.000	0.000
60	60	ILE	0	0.014	0.002	22.499	0.008	0.008	0.000	0.000	0.000	0.000
61	61	SER	0	-0.038	-0.040	22.683	0.011	0.011	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.028	-0.007	18.237	0.010	0.010	0.000	0.000	0.000	0.000
63	63	LEU	0	0.007	-0.012	22.382	0.009	0.009	0.000	0.000	0.000	0.000
64	64	GLN	0	0.060	0.062	25.096	0.001	0.001	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.034	-0.019	22.797	0.016	0.016	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.068	-0.018	20.903	0.007	0.007	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.885	-0.933	24.768	0.009	0.009	0.000	0.000	0.000	0.000
68	68	LEU	0	0.005	-0.013	26.033	-0.001	-0.001	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.941	-0.958	27.924	0.001	0.001	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.015	-0.001	22.988	0.001	0.001	0.000	0.000	0.000	0.000
71	71	LYS	1	0.939	0.971	23.542	0.036	0.036	0.000	0.000	0.000	0.000
72	72	ALA	0	0.026	0.002	18.991	0.001	0.001	0.000	0.000	0.000	0.000
73	73	THR	0	-0.035	-0.025	14.772	-0.004	-0.004	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.046	-0.023	16.963	0.028	0.028	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.019	-0.008	16.629	0.013	0.013	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.018	-0.007	9.238	-0.008	-0.008	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.006	0.001	13.327	0.007	0.007	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.026	-0.014	6.761	-0.011	-0.011	0.000	0.000	0.000	0.000
79	79	ALA	0	0.016	-0.007	9.913	0.035	0.035	0.000	0.000	0.000	0.000
80	80	PRO	0	0.005	-0.004	9.281	-0.099	-0.099	0.000	0.000	0.000	0.000
81	81	THR	0	0.009	0.002	9.563	-0.099	-0.099	0.000	0.000	0.000	0.000
82	82	ARG	1	0.845	0.892	7.990	1.285	1.285	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.706	-0.838	11.582	-0.433	-0.433	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.005	0.003	14.215	0.055	0.055	0.000	0.000	0.000	0.000
85	85	ALA	0	0.009	-0.004	11.953	0.051	0.051	0.000	0.000	0.000	0.000
86	86	GLN	0	-0.035	-0.033	14.140	0.081	0.081	0.000	0.000	0.000	0.000
87	87	GLN	0	0.033	0.036	16.956	0.026	0.026	0.000	0.000	0.000	0.000
88	88	ILE	0	0.033	0.013	15.722	0.026	0.026	0.000	0.000	0.000	0.000
89	89	GLN	0	0.032	0.025	17.794	0.015	0.015	0.000	0.000	0.000	0.000
90	90	LYS	1	0.831	0.892	19.636	0.236	0.236	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.023	0.003	22.418	0.013	0.013	0.000	0.000	0.000	0.000
92	92	VAL	0	-0.003	-0.009	19.735	0.013	0.013	0.000	0.000	0.000	0.000
93	93	MET	0	-0.015	-0.008	22.782	0.012	0.012	0.000	0.000	0.000	0.000
94	94	ALA	0	0.007	0.021	25.159	0.008	0.008	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.036	-0.006	25.591	0.008	0.008	0.000	0.000	0.000	0.000
96	96	GLY	0	0.000	-0.023	26.576	0.009	0.009	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.919	-0.948	27.545	-0.077	-0.077	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.030	-0.037	30.335	0.003	0.003	0.000	0.000	0.000	0.000
99	99	MET	0	-0.068	-0.029	28.676	0.003	0.003	0.000	0.000	0.000	0.000
100	100	GLY	0	-0.010	0.007	29.974	0.004	0.004	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.036	-0.003	25.005	-0.001	-0.001	0.000	0.000	0.000	0.000
102	102	SER	0	-0.016	-0.012	22.609	-0.013	-0.013	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.067	-0.046	18.352	-0.001	-0.001	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.035	-0.039	13.829	0.014	0.014	0.000	0.000	0.000	0.000
105	105	ALA	0	0.020	0.010	14.192	0.011	0.011	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.051	-0.015	9.376	-0.001	-0.001	0.000	0.000	0.000	0.000
107	107	ILE	0	-0.007	0.001	9.398	-0.031	-0.031	0.000	0.000	0.000	0.000
108	108	GLY	0	0.032	0.026	8.405	0.056	0.056	0.000	0.000	0.000	0.000
109	109	GLY	0	0.049	0.015	9.006	0.055	0.055	0.000	0.000	0.000	0.000
110	110	THR	0	-0.046	-0.018	11.839	0.095	0.095	0.000	0.000	0.000	0.000
111	111	ASN	0	0.035	0.011	12.126	-0.038	-0.038	0.000	0.000	0.000	0.000
112	112	VAL	0	0.101	0.056	8.144	0.033	0.033	0.000	0.000	0.000	0.000
113	113	ARG	1	0.933	0.972	11.625	0.316	0.316	0.000	0.000	0.000	0.000
114	114	ALA	0	0.015	-0.014	13.517	0.033	0.033	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.752	-0.847	10.406	-0.354	-0.354	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.019	-0.016	10.664	0.026	0.026	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.011	-0.003	13.203	0.033	0.033	0.000	0.000	0.000	0.000
118	118	LYS	1	0.970	0.991	16.528	0.233	0.233	0.000	0.000	0.000	0.000
119	119	LEU	0	0.020	-0.010	12.123	0.023	0.023	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.093	-0.044	14.702	0.033	0.033	0.000	0.000	0.000	0.000
121	121	MET	0	-0.088	-0.043	17.654	0.016	0.016	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.922	-0.936	19.967	-0.095	-0.095	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.045	-0.019	18.327	0.011	0.011	0.000	0.000	0.000	0.000
124	124	PRO	0	0.026	0.010	17.096	0.010	0.010	0.000	0.000	0.000	0.000
125	125	HIS	0	0.062	0.041	18.766	-0.001	-0.001	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.010	-0.006	17.693	0.014	0.014	0.000	0.000	0.000	0.000
127	127	ILE	0	0.003	0.004	12.101	-0.018	-0.018	0.000	0.000	0.000	0.000
128	128	VAL	0	0.024	0.021	13.245	0.010	0.010	0.000	0.000	0.000	0.000
129	129	GLY	0	0.025	-0.004	9.829	0.007	0.007	0.000	0.000	0.000	0.000
130	130	THR	0	0.011	-0.003	5.941	0.110	0.110	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.024	-0.005	5.934	0.020	0.020	0.000	0.000	0.000	0.000
141	141	ARG	1	0.904	0.957	7.990	-0.520	-0.520	0.000	0.000	0.000	0.000
142	142	TYR	0	0.038	0.020	10.288	0.002	0.002	0.000	0.000	0.000	0.000
143	143	LEU	0	0.018	0.041	9.218	-0.008	-0.008	0.000	0.000	0.000	0.000
144	144	SER	0	0.013	-0.018	10.947	0.107	0.107	0.000	0.000	0.000	0.000
145	145	PRO	0	0.018	0.008	12.615	-0.043	-0.043	0.000	0.000	0.000	0.000
146	146	LYS	1	0.867	0.952	15.156	-0.128	-0.128	0.000	0.000	0.000	0.000
147	147	TYR	0	0.016	-0.010	16.754	-0.016	-0.016	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.013	0.008	12.476	-0.014	-0.014	0.000	0.000	0.000	0.000
149	149	LYS	1	0.921	0.969	16.358	-0.010	-0.010	0.000	0.000	0.000	0.000
150	150	MET	0	-0.022	-0.003	16.800	0.005	0.005	0.000	0.000	0.000	0.000
151	151	PHE	0	-0.005	-0.011	8.153	-0.004	-0.004	0.000	0.000	0.000	0.000
152	152	VAL	0	0.005	0.000	13.398	0.003	0.003	0.000	0.000	0.000	0.000
153	153	LEU	0	0.023	0.013	9.943	-0.029	-0.029	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.753	-0.885	13.528	-0.146	-0.146	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.822	-0.886	14.353	-0.253	-0.253	0.000	0.000	0.000	0.000
156	156	ALA	0	-0.016	-0.020	13.861	-0.021	-0.021	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.758	-0.827	14.166	-0.166	-0.166	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.890	-0.939	12.202	-0.373	-0.373	0.000	0.000	0.000	0.000
159	159	MET	0	-0.050	-0.008	8.079	-0.019	-0.019	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.013	-0.015	9.741	0.056	0.056	0.000	0.000	0.000	0.000
161	161	SER	0	0.013	-0.004	11.789	0.024	0.024	0.000	0.000	0.000	0.000
162	162	ARG	1	0.824	0.878	11.157	0.178	0.178	0.000	0.000	0.000	0.000
163	163	GLY	0	0.067	0.050	8.548	0.062	0.062	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.029	-0.022	5.587	-0.232	-0.232	0.000	0.000	0.000	0.000
165	165	LYS	1	0.866	0.938	7.097	0.270	0.270	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.905	-0.951	6.202	0.073	0.073	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.006	-0.009	7.205	0.216	0.216	0.000	0.000	0.000	0.000
174	174	LYS	1	0.859	0.955	5.302	-3.803	-3.803	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.017	-0.004	8.390	-0.053	-0.053	0.000	0.000	0.000	0.000
176	176	ASN	0	0.018	0.007	11.063	0.017	0.017	0.000	0.000	0.000	0.000
177	177	SER	0	0.065	0.033	14.599	-0.037	-0.037	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.123	-0.058	15.486	-0.037	-0.037	0.000	0.000	0.000	0.000
179	179	THR	0	-0.030	-0.021	13.565	-0.019	-0.019	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.034	-0.012	16.569	-0.003	-0.003	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.019	-0.018	14.123	-0.014	-0.014	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.018	-0.018	16.264	0.002	0.002	0.000	0.000	0.000	0.000
183	183	LEU	0	-0.019	-0.005	14.387	-0.017	-0.017	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.013	-0.006	17.544	0.012	0.012	0.000	0.000	0.000	0.000
185	185	SER	0	0.007	-0.027	17.922	-0.021	-0.021	0.000	0.000	0.000	0.000
186	186	ALA	0	0.020	0.019	20.220	0.015	0.015	0.000	0.000	0.000	0.000
187	187	THR	0	0.011	0.003	20.498	0.009	0.009	0.000	0.000	0.000	0.000
188	188	MET	0	-0.020	-0.025	18.845	0.001	0.001	0.000	0.000	0.000	0.000
189	189	PRO	0	0.054	0.036	19.847	0.013	0.013	0.000	0.000	0.000	0.000
190	190	SER	0	0.016	0.001	21.462	0.001	0.001	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.900	-0.949	19.578	-0.037	-0.037	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.016	-0.012	16.106	0.013	0.013	0.000	0.000	0.000	0.000
193	193	LEU	0	0.023	0.013	17.560	0.006	0.006	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.855	-0.903	20.037	0.024	0.024	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.029	-0.008	13.294	0.017	0.017	0.000	0.000	0.000	0.000
196	196	THR	0	-0.015	-0.024	15.264	0.014	0.014	0.000	0.000	0.000	0.000
197	197	LYS	1	0.853	0.913	16.709	-0.021	-0.021	0.000	0.000	0.000	0.000
198	198	LYS	1	0.837	0.943	10.849	-0.131	-0.131	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.019	-0.013	8.851	0.025	0.025	0.000	0.000	0.000	0.000
200	200	MET	0	-0.004	0.009	14.185	0.006	0.006	0.000	0.000	0.000	0.000
201	201	ARG	1	0.944	0.970	17.823	-0.110	-0.110	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.964	-0.980	21.342	0.055	0.055	0.000	0.000	0.000	0.000
203	203	PRO	0	0.011	0.022	21.007	-0.001	-0.001	0.000	0.000	0.000	0.000
204	204	ILE	0	-0.030	-0.018	23.535	-0.001	-0.001	0.000	0.000	0.000	0.000
205	205	ARG	1	0.943	0.962	22.993	-0.019	-0.019	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.019	-0.007	25.488	0.002	0.002	0.000	0.000	0.000	0.000
207	207	LEU	0	0.016	-0.003	23.966	-0.006	-0.006	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.014	-0.006	27.627	0.005	0.005	0.000	0.000	0.000	0.000
209	209	LYS	1	0.950	0.970	28.834	0.032	0.032	0.000	0.000	0.000	0.000
210	210	LYS	1	0.965	0.989	29.407	0.049	0.049	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.854	-0.940	30.405	-0.058	-0.058	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.925	-0.943	31.788	-0.053	-0.053	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.117	-0.054	26.044	-0.004	-0.004	0.000	0.000	0.000	0.000
214	214	THR	0	-0.019	-0.025	29.529	-0.009	-0.009	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.012	0.013	27.450	0.001	0.001	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.839	-0.901	32.017	-0.072	-0.072	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.055	-0.033	35.217	-0.001	-0.001	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.040	-0.020	30.095	-0.001	-0.001	0.000	0.000	0.000	0.000
219	219	ARG	1	0.833	0.903	34.271	0.086	0.086	0.000	0.000	0.000	0.000
220	220	GLN	0	0.031	0.033	32.599	-0.010	-0.010	0.000	0.000	0.000	0.000
221	221	PHE	0	0.075	0.031	35.431	0.005	0.005	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.024	-0.018	35.267	-0.008	-0.008	0.000	0.000	0.000	0.000
223	223	ILE	0	0.042	0.019	36.523	0.005	0.005	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.029	-0.025	37.031	-0.005	-0.005	0.000	0.000	0.000	0.000
225	225	VAL	0	-0.002	-0.011	34.805	0.002	0.002	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.915	-0.943	38.173	-0.067	-0.067	0.000	0.000	0.000	0.000
227	227	ARG	1	0.896	0.944	37.313	0.078	0.078	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.756	-0.862	30.290	-0.136	-0.136	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.925	-0.969	33.879	-0.095	-0.095	0.000	0.000	0.000	0.000
230	230	TRP	0	0.001	-0.005	36.038	-0.001	-0.001	0.000	0.000	0.000	0.000
231	231	LYS	1	0.850	0.924	29.544	0.135	0.135	0.000	0.000	0.000	0.000
232	232	LEU	0	-0.001	0.000	34.173	-0.002	-0.002	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.803	-0.900	35.382	-0.090	-0.090	0.000	0.000	0.000	0.000
234	234	THR	0	0.008	0.002	36.779	0.004	0.004	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.030	-0.031	31.786	0.000	0.000	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.099	-0.052	35.978	-0.001	-0.001	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.890	-0.921	38.859	-0.078	-0.078	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.027	-0.034	35.334	0.001	0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	0.006	0.020	37.074	-0.004	-0.004	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.890	-0.935	38.161	-0.078	-0.078	0.000	0.000	0.000	0.000
241	241	THR	0	-0.058	-0.047	36.969	0.000	0.000	0.000	0.000	0.000	0.000
242	242	LEU	0	0.006	0.007	33.634	-0.002	-0.002	0.000	0.000	0.000	0.000
243	243	THR	0	-0.031	-0.021	37.200	-0.001	-0.001	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.023	0.004	39.593	0.001	0.001	0.000	0.000	0.000	0.000
245	245	THR	0	-0.082	-0.055	35.278	-0.001	-0.001	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.023	-0.013	28.427	0.008	0.008	0.000	0.000	0.000	0.000
247	247	ALA	0	0.020	0.003	30.497	0.002	0.002	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.025	-0.009	23.842	-0.009	-0.009	0.000	0.000	0.000	0.000
249	249	ILE	0	0.009	0.003	25.970	0.012	0.012	0.000	0.000	0.000	0.000
250	250	PHE	0	0.032	0.011	20.535	-0.016	-0.016	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.021	-0.015	22.700	0.019	0.019	0.000	0.000	0.000	0.000
252	252	ASN	0	0.037	0.011	20.942	-0.033	-0.033	0.000	0.000	0.000	0.000
253	253	THR	0	-0.025	-0.003	19.597	-0.011	-0.011	0.000	0.000	0.000	0.000
254	254	ARG	1	0.934	0.946	13.585	0.544	0.544	0.000	0.000	0.000	0.000
255	255	ARG	1	0.936	0.967	18.956	0.301	0.301	0.000	0.000	0.000	0.000
256	256	LYS	1	0.822	0.892	22.633	0.178	0.178	0.000	0.000	0.000	0.000
257	257	VAL	0	0.035	0.024	21.511	0.015	0.015	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.837	-0.894	22.934	-0.262	-0.262	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.026	-0.015	25.510	0.016	0.016	0.000	0.000	0.000	0.000
260	260	LEU	0	0.001	-0.007	28.126	0.011	0.011	0.000	0.000	0.000	0.000
261	261	THR	0	-0.009	-0.028	26.679	0.010	0.010	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.952	-0.962	29.386	-0.144	-0.144	0.000	0.000	0.000	0.000
263	263	LYS	1	0.864	0.935	31.561	0.130	0.130	0.000	0.000	0.000	0.000
264	264	MET	0	0.000	-0.001	32.083	0.009	0.009	0.000	0.000	0.000	0.000
265	265	HIS	0	0.025	0.015	32.720	0.003	0.003	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.023	-0.007	34.715	0.006	0.006	0.000	0.000	0.000	0.000
267	267	ARG	1	0.752	0.863	37.324	0.102	0.102	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.904	-0.935	38.380	-0.090	-0.090	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.043	-0.020	36.562	0.001	0.001	0.000	0.000	0.000	0.000
270	270	THR	0	-0.041	-0.025	34.069	-0.008	-0.008	0.000	0.000	0.000	0.000
271	271	VAL	0	0.006	-0.003	28.728	0.001	0.001	0.000	0.000	0.000	0.000
272	272	SER	0	-0.016	0.011	25.836	-0.009	-0.009	0.000	0.000	0.000	0.000
273	273	ALA	0	0.035	0.009	24.240	0.003	0.003	0.000	0.000	0.000	0.000
274	274	MET	0	-0.045	-0.026	17.853	-0.014	-0.014	0.000	0.000	0.000	0.000
275	275	HIS	0	-0.006	-0.026	17.092	-0.036	-0.036	0.000	0.000	0.000	0.000
276	276	GLY	0	0.035	-0.004	12.894	-0.001	-0.001	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.038	-1.020	12.888	-0.577	-0.577	0.000	0.000	0.000	0.000
278	278	MET	0	-0.010	0.039	14.531	0.025	0.025	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.845	-0.922	14.762	-0.483	-0.483	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.041	-0.033	13.266	-0.051	-0.051	0.000	0.000	0.000	0.000
281	281	LYS	1	0.799	0.876	15.676	0.314	0.314	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.824	-0.889	18.803	-0.243	-0.243	0.000	0.000	0.000	0.000
283	283	ARG	1	0.797	0.849	11.239	0.783	0.783	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.907	-0.944	18.205	-0.268	-0.268	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.042	-0.029	19.853	0.029	0.029	0.000	0.000	0.000	0.000
286	286	ILE	0	0.010	0.009	20.353	0.020	0.020	0.000	0.000	0.000	0.000
287	287	MET	0	-0.008	-0.001	19.611	0.029	0.029	0.000	0.000	0.000	0.000
288	288	ARG	1	0.830	0.919	22.556	0.201	0.201	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.824	-0.909	25.227	-0.149	-0.149	0.000	0.000	0.000	0.000
290	290	PHE	0	0.011	0.025	24.917	0.010	0.010	0.000	0.000	0.000	0.000
291	291	ARG	1	0.881	0.916	20.520	0.240	0.240	0.000	0.000	0.000	0.000
292	292	SER	0	-0.039	-0.012	27.120	0.009	0.009	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.015	-0.009	29.919	0.010	0.010	0.000	0.000	0.000	0.000
294	294	SER	0	-0.080	-0.025	31.098	0.005	0.005	0.000	0.000	0.000	0.000
295	295	SER	0	0.010	0.003	27.667	0.006	0.006	0.000	0.000	0.000	0.000
296	296	ARG	1	0.921	0.955	30.314	0.108	0.108	0.000	0.000	0.000	0.000
297	297	VAL	0	0.027	-0.005	29.651	0.002	0.002	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.018	0.001	22.214	-0.004	-0.004	0.000	0.000	0.000	0.000
299	299	ILE	0	0.017	0.008	24.233	-0.001	-0.001	0.000	0.000	0.000	0.000
300	300	THR	0	-0.044	-0.041	19.716	-0.028	-0.028	0.000	0.000	0.000	0.000
301	301	THR	0	0.030	0.001	16.479	0.029	0.029	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.815	-0.889	16.656	-0.279	-0.279	0.000	0.000	0.000	0.000
303	303	LEU	0	0.002	0.007	13.123	-0.036	-0.036	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.047	-0.020	15.191	-0.007	-0.007	0.000	0.000	0.000	0.000
305	305	ALA	0	0.036	0.026	17.689	0.035	0.035	0.000	0.000	0.000	0.000
306	306	ARG	1	0.807	0.862	15.522	0.262	0.262	0.000	0.000	0.000	0.000
307	307	GLY	0	0.035	0.017	17.898	-0.019	-0.019	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.031	-0.009	17.327	0.017	0.017	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.823	-0.903	20.697	-0.153	-0.153	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.017	-0.006	24.171	-0.003	-0.003	0.000	0.000	0.000	0.000
311	311	GLN	0	0.021	0.011	26.514	0.006	0.006	0.000	0.000	0.000	0.000
312	312	GLN	0	0.085	0.028	30.038	0.003	0.003	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.028	0.011	27.194	0.006	0.006	0.000	0.000	0.000	0.000
314	314	SER	0	-0.034	-0.019	30.447	0.004	0.004	0.000	0.000	0.000	0.000
315	315	LEU	0	0.043	0.027	32.133	-0.001	-0.001	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.008	-0.006	26.892	-0.011	-0.011	0.000	0.000	0.000	0.000
317	317	ILE	0	0.010	0.008	28.817	0.010	0.010	0.000	0.000	0.000	0.000
318	318	ASN	0	0.001	-0.001	26.301	-0.029	-0.029	0.000	0.000	0.000	0.000
319	319	TYR	0	0.057	0.023	27.777	0.012	0.012	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.799	-0.889	25.310	-0.166	-0.166	0.000	0.000	0.000	0.000
321	321	LEU	0	0.026	0.012	26.207	-0.009	-0.009	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.023	0.017	22.460	-0.001	-0.001	0.000	0.000	0.000	0.000
323	323	THR	0	0.039	-0.004	23.463	0.014	0.014	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.002	0.010	19.666	0.010	0.010	0.000	0.000	0.000	0.000
325	325	ARG	1	0.948	0.948	22.791	0.077	0.077	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.917	-0.940	21.062	-0.124	-0.124	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.059	-0.055	18.795	0.006	0.006	0.000	0.000	0.000	0.000
328	328	TYR	0	0.020	0.000	21.397	-0.008	-0.008	0.000	0.000	0.000	0.000
329	329	ILE	0	0.014	0.008	24.235	0.000	0.000	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.079	-0.046	20.446	-0.003	-0.003	0.000	0.000	0.000	0.000
331	331	ARG	1	0.818	0.877	20.838	0.227	0.227	0.000	0.000	0.000	0.000
332	332	ILE	0	0.021	0.006	23.572	0.002	0.002	0.000	0.000	0.000	0.000
333	333	GLY	0	0.006	0.015	25.395	0.008	0.008	0.000	0.000	0.000	0.000
334	334	ARG	1	0.759	0.888	20.754	0.206	0.206	0.000	0.000	0.000	0.000
335	335	GLY	0	0.029	0.018	25.012	0.001	0.001	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.026	-0.016	28.836	0.003	0.003	0.000	0.000	0.000	0.000
337	337	ARG	1	0.794	0.911	25.763	0.147	0.147	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.017	-0.029	30.276	0.006	0.006	0.000	0.000	0.000	0.000
339	339	GLY	0	0.029	0.020	32.475	0.005	0.005	0.000	0.000	0.000	0.000
340	340	ARG	1	0.824	0.922	33.408	0.112	0.112	0.000	0.000	0.000	0.000
341	341	LYS	1	0.948	0.973	34.523	0.068	0.068	0.000	0.000	0.000	0.000
342	342	GLY	0	0.113	0.051	32.998	0.001	0.001	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.035	0.014	33.442	0.006	0.006	0.000	0.000	0.000	0.000
344	344	ALA	0	0.022	0.005	31.016	-0.009	-0.009	0.000	0.000	0.000	0.000
345	345	ILE	0	0.031	0.025	32.247	0.006	0.006	0.000	0.000	0.000	0.000
346	346	ASN	0	0.001	-0.009	30.743	-0.018	-0.018	0.000	0.000	0.000	0.000
347	347	MET	0	-0.022	0.002	31.982	0.008	0.008	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.038	-0.019	32.060	-0.006	-0.006	0.000	0.000	0.000	0.000
349	349	THR	0	-0.013	-0.026	34.037	0.006	0.006	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.865	-0.957	35.935	-0.065	-0.065	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.822	-0.872	32.575	-0.076	-0.076	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.844	-0.894	31.131	-0.109	-0.109	0.000	0.000	0.000	0.000
353	353	LYS	1	0.958	0.974	32.334	0.064	0.064	0.000	0.000	0.000	0.000
354	354	ARG	1	0.789	0.870	32.704	0.074	0.074	0.000	0.000	0.000	0.000
355	355	THR	0	0.000	0.006	28.118	0.001	0.001	0.000	0.000	0.000	0.000
356	356	LEU	0	0.004	-0.008	31.249	-0.001	-0.001	0.000	0.000	0.000	0.000
357	357	ARG	1	0.906	0.959	32.554	0.061	0.061	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.808	-0.881	29.750	-0.073	-0.073	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.024	-0.010	27.618	0.001	0.001	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.839	-0.923	30.722	-0.069	-0.069	0.000	0.000	0.000	0.000
361	361	THR	0	-0.078	-0.053	34.193	0.004	0.004	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.051	-0.013	27.645	0.006	0.006	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.057	-0.075	25.826	0.003	0.003	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.056	-0.014	32.580	0.001	0.001	0.000	0.000	0.000	0.000
365	365	THR	0	0.007	0.003	33.445	0.001	0.001	0.000	0.000	0.000	0.000
366	366	SER	0	-0.054	-0.061	36.742	0.003	0.003	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.092	-0.023	33.677	-0.004	-0.004	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.821	-0.881	37.359	-0.061	-0.061	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.939	-0.982	39.681	-0.066	-0.066	0.000	0.000	0.000	0.000
370	370	MET	0	-0.058	-0.020	38.684	-0.001	-0.001	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.014	0.015	41.158	0.002	0.002	0.000	0.000	0.000	0.000
372	372	LEU	0	0.018	-0.013	42.900	-0.003	-0.003	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.028	-0.002	44.845	-0.002	-0.002	0.000	0.000	0.000	0.000
374	374	VAL	0	0.062	0.009	41.599	-0.001	-0.001	0.000	0.000	0.000	0.000
375	375	ALA	0	-0.046	-0.021	43.673	-0.001	-0.001	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.934	-0.966	45.585	-0.058	-0.058	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.094	-0.029	38.713	-0.001	-0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.954	-0.981	37.192	-0.082	-0.082	0.000	0.000	0.000	0.000
379	379	A	0	-0.311	-0.253	13.593	-0.002	-0.002	0.000	0.000	0.000	0.000
380	379	A	-1	-0.541	-0.644	12.762	0.006	0.006	0.000	0.000	0.000	0.000
381	380	G	0	-0.355	-0.320	15.743	-0.001	-0.001	0.000	0.000	0.000	0.000
382	380	G	-1	-0.556	-0.629	13.651	-0.200	-0.200	0.000	0.000	0.000	0.000
383	381	A	0	-0.354	-0.309	16.006	0.015	0.015	0.000	0.000	0.000	0.000
384	381	A	-1	-0.588	-0.664	15.001	-0.277	-0.277	0.000	0.000	0.000	0.000
385	382	G	0	-0.355	-0.307	13.957	0.003	0.003	0.000	0.000	0.000	0.000
386	382	G	-1	-0.563	-0.674	15.939	-0.348	-0.348	0.000	0.000	0.000	0.000
387	383	A	0	-0.342	-0.294	10.749	-0.044	-0.044	0.000	0.000	0.000	0.000
388	383	A	-1	-0.473	-0.572	12.673	-0.554	-0.554	0.000	0.000	0.000	0.000
389	384	A	0	-0.357	-0.283	7.995	-0.053	-0.053	0.000	0.000	0.000	0.000
390	384	A	-1	-0.419	-0.577	7.055	-0.796	-0.796	0.000	0.000	0.000	0.000
395	387	A	0	-0.350	-0.305	5.507	0.267	0.267	0.000	0.000	0.000	0.000
396	387	A	-1	-0.594	-0.650	6.597	-0.474	-0.474	0.000	0.000	0.000	0.000
397	388	G	0	-0.375	-0.308	10.282	0.032	0.032	0.000	0.000	0.000	0.000
398	388	G	0	0.263	0.190	8.944	-0.038	-0.038	0.000	0.000	0.000	0.000

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