FMO DATABASE

FMODB ID: K9JL3

Calculation Name: 6XKI-A-MD433-73ns

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	-7614980.121085
FMO2-HF: Nuclear repulsion	7445776.122072
FMO2-HF: Total energy	-169203.999013
FMO2-MP2: Total energy	-169681.799113

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.
-310.450543	-261.321397	51.509211	-18.853027	-81.785330	0.104134

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.
-257.457	-239.92	17.785	-7.002	-28.319	-0.03

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 : 1.020 / q_NPA : 1.019

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	0.842	0.893	2.675	52.761	53.590	0.719	-0.317	-1.230	0.001
132	132	GLY	0	0.038	0.025	2.531	0.916	0.433	0.327	0.302	-0.146	0.001
133	133	ARG	1	0.818	0.871	3.427	31.066	31.086	0.008	0.190	-0.218	0.000
135	135	PHE	0	0.014	0.006	5.312	2.144	2.201	-0.001	-0.001	-0.055	0.000
167	167	GLN	0	0.017	-0.002	4.763	-1.553	-1.331	-0.001	-0.024	-0.198	0.000
254	254	ARG	1	0.943	0.943	3.473	48.398	48.850	0.009	-0.093	-0.368	0.000
276	276	GLY	0	0.037	-0.001	4.473	-0.664	-0.615	-0.001	-0.021	-0.026	0.000
277	277	ASP	-1	-1.021	-1.012	2.510	-67.890	-65.240	1.529	-1.815	-2.363	-0.021
278	278	MET	0	-0.039	0.028	3.586	0.109	0.297	0.006	0.053	-0.248	-0.001
279	279	ASP	-1	-0.861	-0.930	4.247	-42.515	-42.345	-0.001	-0.028	-0.141	0.000
283	283	ARG	1	0.801	0.861	4.463	42.207	42.331	-0.001	-0.002	-0.121	0.000
390	384	A	-1	-0.501	-0.596	4.291	-42.276	-41.852	-0.001	-0.041	-0.383	0.000
391	385	G	0	-0.320	-0.278	2.519	-16.219	-8.713	6.910	-2.242	-12.175	-0.018
392	385	G	-1	-0.452	-0.580	2.187	-43.915	-40.043	4.150	-3.036	-4.986	0.005
393	386	A	0	-0.335	-0.297	2.730	-3.450	-1.849	3.995	-1.411	-4.184	0.004
394	386	A	-1	-0.575	-0.672	3.111	-39.755	-40.380	0.138	1.505	-1.018	-0.001
395	387	G	0	-0.343	-0.292	4.391	-7.052	-6.571	0.000	-0.021	-0.459	0.000
1	1	GLU	0	-0.141	-0.086	41.477	0.542	0.542	0.000	0.000	0.000	0.000
2	2	ILE	0	-0.009	-0.009	38.915	-0.119	-0.119	0.000	0.000	0.000	0.000
3	3	VAL	0	0.052	0.041	38.721	0.147	0.147	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.941	-0.976	39.619	-7.123	-7.123	0.000	0.000	0.000	0.000
5	5	SER	0	0.053	0.022	40.110	-0.004	-0.004	0.000	0.000	0.000	0.000
6	6	PHE	0	0.003	-0.020	33.056	-0.143	-0.143	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.913	-0.955	37.542	-7.235	-7.235	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.854	-0.922	40.221	-6.928	-6.928	0.000	0.000	0.000	0.000
9	9	MET	0	-0.144	-0.073	33.612	-0.122	-0.122	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.054	-0.018	36.583	-0.074	-0.074	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.022	-0.010	32.994	-0.155	-0.155	0.000	0.000	0.000	0.000
12	12	SER	0	0.055	0.023	34.471	0.270	0.270	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.845	-0.921	36.524	-7.866	-7.866	0.000	0.000	0.000	0.000
14	14	SER	0	-0.031	-0.025	34.989	-0.070	-0.070	0.000	0.000	0.000	0.000
15	15	LEU	0	-0.005	-0.002	30.054	-0.212	-0.212	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.018	-0.008	33.617	-0.145	-0.145	0.000	0.000	0.000	0.000
17	17	ARG	1	0.915	0.968	36.514	7.832	7.832	0.000	0.000	0.000	0.000
18	18	GLY	0	0.032	0.021	32.606	-0.038	-0.038	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.030	-0.022	31.973	-0.225	-0.225	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.024	-0.020	33.648	-0.003	-0.003	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.046	-0.019	35.383	0.077	0.077	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.038	-0.013	26.796	-0.238	-0.238	0.000	0.000	0.000	0.000
23	23	GLY	0	0.003	0.004	33.048	-0.156	-0.156	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.073	-0.021	29.238	0.036	0.036	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.898	-0.958	35.469	-7.553	-7.553	0.000	0.000	0.000	0.000
26	26	LYS	1	0.941	0.953	37.563	7.343	7.343	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.022	0.019	34.322	-0.207	-0.207	0.000	0.000	0.000	0.000
28	28	SER	0	0.046	0.026	32.655	0.168	0.168	0.000	0.000	0.000	0.000
29	29	ALA	0	0.050	0.012	34.509	-0.028	-0.028	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.024	-0.017	29.726	0.061	0.061	0.000	0.000	0.000	0.000
31	31	GLN	0	0.038	0.027	29.005	0.142	0.142	0.000	0.000	0.000	0.000
32	32	GLN	0	0.064	0.021	31.203	0.036	0.036	0.000	0.000	0.000	0.000
33	33	ARG	1	0.899	0.950	33.446	8.496	8.496	0.000	0.000	0.000	0.000
34	34	ALA	0	-0.001	-0.004	28.091	-0.010	-0.010	0.000	0.000	0.000	0.000
35	35	ILE	0	0.017	-0.004	28.984	-0.141	-0.141	0.000	0.000	0.000	0.000
36	36	LEU	0	0.056	0.036	30.172	-0.035	-0.035	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.052	-0.023	30.427	0.070	0.070	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.052	-0.020	25.876	-0.124	-0.124	0.000	0.000	0.000	0.000
39	39	ILE	0	0.078	0.040	28.366	-0.097	-0.097	0.000	0.000	0.000	0.000
40	40	LYS	1	0.866	0.950	30.693	7.973	7.973	0.000	0.000	0.000	0.000
41	41	GLY	0	0.062	0.032	28.348	0.149	0.149	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.048	-0.027	27.937	0.029	0.029	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.693	-0.822	24.121	-10.813	-10.813	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.028	-0.012	25.061	0.243	0.243	0.000	0.000	0.000	0.000
45	45	ILE	0	0.030	0.009	23.646	-0.459	-0.459	0.000	0.000	0.000	0.000
46	46	ALA	0	0.011	-0.014	24.655	0.454	0.454	0.000	0.000	0.000	0.000
47	47	GLN	0	0.009	-0.009	24.887	-0.208	-0.208	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.022	-0.017	25.677	0.225	0.225	0.000	0.000	0.000	0.000
49	49	GLN	0	0.035	0.019	25.917	-0.333	-0.333	0.000	0.000	0.000	0.000
50	50	SER	0	0.046	0.020	26.255	-0.249	-0.249	0.000	0.000	0.000	0.000
51	51	GLY	0	0.012	0.014	27.100	0.294	0.294	0.000	0.000	0.000	0.000
52	52	THR	0	-0.049	-0.032	28.716	0.288	0.288	0.000	0.000	0.000	0.000
53	53	GLY	0	0.059	0.032	27.601	0.198	0.198	0.000	0.000	0.000	0.000
54	54	LYS	1	0.798	0.897	20.471	13.810	13.810	0.000	0.000	0.000	0.000
55	55	THR	0	0.038	0.006	21.295	-0.243	-0.243	0.000	0.000	0.000	0.000
56	56	ALA	0	0.049	0.018	23.309	-0.009	-0.009	0.000	0.000	0.000	0.000
57	57	THR	0	-0.053	-0.036	25.632	0.347	0.347	0.000	0.000	0.000	0.000
58	58	PHE	0	0.049	0.034	19.508	0.229	0.229	0.000	0.000	0.000	0.000
59	59	ALA	0	-0.006	0.009	23.793	0.174	0.174	0.000	0.000	0.000	0.000
60	60	ILE	0	0.033	0.013	24.633	0.151	0.151	0.000	0.000	0.000	0.000
61	61	SER	0	-0.004	-0.012	26.405	0.155	0.155	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.006	-0.001	21.130	0.092	0.092	0.000	0.000	0.000	0.000
63	63	LEU	0	0.003	-0.012	25.333	0.190	0.190	0.000	0.000	0.000	0.000
64	64	GLN	0	0.064	0.041	27.406	0.120	0.120	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.072	-0.040	27.053	0.316	0.316	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.069	-0.024	23.778	-0.127	-0.127	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.888	-0.936	27.909	-8.405	-8.405	0.000	0.000	0.000	0.000
68	68	LEU	0	0.031	-0.005	28.495	-0.350	-0.350	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.888	-0.923	30.211	-8.538	-8.538	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.123	-0.054	26.024	-0.063	-0.063	0.000	0.000	0.000	0.000
71	71	LYS	1	0.939	0.983	25.481	10.385	10.385	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.020	-0.036	22.794	-0.153	-0.153	0.000	0.000	0.000	0.000
73	73	THR	0	-0.012	0.010	17.486	-0.046	-0.046	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.038	-0.029	20.776	0.153	0.153	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.003	0.001	20.224	0.178	0.178	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.018	-0.007	12.771	-0.366	-0.366	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.006	0.001	15.790	0.296	0.296	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.018	-0.006	9.419	-0.764	-0.764	0.000	0.000	0.000	0.000
79	79	ALA	0	0.045	0.002	11.177	1.168	1.168	0.000	0.000	0.000	0.000
80	80	PRO	0	0.020	0.001	9.799	-1.524	-1.524	0.000	0.000	0.000	0.000
81	81	THR	0	0.000	-0.001	7.936	-1.959	-1.959	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.737	-0.861	9.505	-25.944	-25.944	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.032	0.001	12.235	1.731	1.731	0.000	0.000	0.000	0.000
85	85	ALA	0	0.031	0.011	12.203	1.358	1.358	0.000	0.000	0.000	0.000
86	86	GLN	0	-0.048	-0.038	13.718	0.852	0.852	0.000	0.000	0.000	0.000
87	87	GLN	0	0.006	0.010	15.463	0.774	0.774	0.000	0.000	0.000	0.000
88	88	ILE	0	0.018	0.002	16.290	0.956	0.956	0.000	0.000	0.000	0.000
89	89	GLN	0	0.019	0.002	17.707	0.626	0.626	0.000	0.000	0.000	0.000
90	90	LYS	1	0.877	0.934	19.305	15.560	15.560	0.000	0.000	0.000	0.000
91	91	VAL	0	0.012	0.020	22.240	0.519	0.519	0.000	0.000	0.000	0.000
92	92	VAL	0	0.007	-0.006	21.000	0.481	0.481	0.000	0.000	0.000	0.000
93	93	MET	0	-0.006	0.012	22.621	0.367	0.367	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.009	0.014	25.128	0.378	0.378	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.033	-0.025	26.674	0.364	0.364	0.000	0.000	0.000	0.000
96	96	GLY	0	0.018	-0.005	27.435	0.352	0.352	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.956	-0.956	28.508	-9.423	-9.423	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.006	-0.027	30.764	0.154	0.154	0.000	0.000	0.000	0.000
99	99	MET	0	-0.021	-0.001	29.643	0.128	0.128	0.000	0.000	0.000	0.000
100	100	GLY	0	0.011	0.019	30.361	0.050	0.050	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.044	-0.014	26.447	-0.137	-0.137	0.000	0.000	0.000	0.000
102	102	SER	0	-0.010	-0.003	24.209	-0.387	-0.387	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.041	-0.041	19.339	-0.259	-0.259	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.043	-0.040	14.498	0.795	0.795	0.000	0.000	0.000	0.000
105	105	ALA	0	0.010	0.009	14.116	-0.116	-0.116	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.104	-0.045	11.970	-0.683	-0.683	0.000	0.000	0.000	0.000
107	107	ILE	0	0.001	-0.004	8.844	-0.838	-0.838	0.000	0.000	0.000	0.000
108	108	GLY	0	0.024	0.015	5.028	0.771	0.771	0.000	0.000	0.000	0.000
109	109	GLY	0	0.003	0.004	4.937	0.161	0.161	0.000	0.000	0.000	0.000
110	110	THR	0	-0.013	-0.009	5.955	3.398	3.398	0.000	0.000	0.000	0.000
111	111	ASN	0	0.043	0.011	9.539	0.213	0.213	0.000	0.000	0.000	0.000
112	112	VAL	0	0.090	0.052	10.000	1.505	1.505	0.000	0.000	0.000	0.000
113	113	ARG	1	0.906	0.957	12.050	16.781	16.781	0.000	0.000	0.000	0.000
114	114	ALA	0	0.027	0.002	15.611	0.883	0.883	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.750	-0.839	11.970	-20.715	-20.715	0.000	0.000	0.000	0.000
116	116	VAL	0	0.021	-0.002	14.784	0.884	0.884	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.017	-0.008	16.549	0.453	0.453	0.000	0.000	0.000	0.000
118	118	LYS	1	0.957	0.993	16.868	16.635	16.635	0.000	0.000	0.000	0.000
119	119	LEU	0	-0.009	-0.005	15.052	0.537	0.537	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.028	-0.024	19.015	0.674	0.674	0.000	0.000	0.000	0.000
121	121	MET	0	-0.101	-0.039	21.628	0.692	0.692	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.910	-0.973	22.431	-10.951	-10.951	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.081	-0.027	21.375	0.273	0.273	0.000	0.000	0.000	0.000
124	124	PRO	0	0.013	0.028	19.276	0.294	0.294	0.000	0.000	0.000	0.000
125	125	HIS	0	0.115	0.068	21.186	-0.638	-0.638	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.035	-0.014	19.085	-0.045	-0.045	0.000	0.000	0.000	0.000
127	127	ILE	0	-0.014	-0.012	13.583	-0.387	-0.387	0.000	0.000	0.000	0.000
128	128	VAL	0	0.042	0.016	14.601	0.157	0.157	0.000	0.000	0.000	0.000
129	129	GLY	0	0.012	-0.003	11.029	-0.289	-0.289	0.000	0.000	0.000	0.000
130	130	THR	0	-0.011	-0.021	6.278	1.025	1.025	0.000	0.000	0.000	0.000
131	131	PRO	0	0.030	0.007	5.235	0.273	0.273	0.000	0.000	0.000	0.000
134	134	VAL	0	0.051	0.014	6.606	2.368	2.368	0.000	0.000	0.000	0.000
136	136	ASP	-1	-0.819	-0.892	6.926	-22.759	-22.759	0.000	0.000	0.000	0.000
137	137	MET	0	-0.041	-0.022	8.396	2.255	2.255	0.000	0.000	0.000	0.000
138	138	LEU	0	0.014	0.021	10.437	1.465	1.465	0.000	0.000	0.000	0.000
139	139	ASN	0	-0.046	-0.015	9.890	1.534	1.534	0.000	0.000	0.000	0.000
140	140	ARG	1	0.806	0.873	11.202	21.364	21.364	0.000	0.000	0.000	0.000
141	141	ARG	1	0.874	0.935	14.225	15.459	15.459	0.000	0.000	0.000	0.000
142	142	TYR	0	-0.006	0.001	15.521	0.677	0.677	0.000	0.000	0.000	0.000
143	143	LEU	0	0.017	0.017	12.368	0.624	0.624	0.000	0.000	0.000	0.000
144	144	SER	0	-0.001	-0.023	16.146	0.190	0.190	0.000	0.000	0.000	0.000
145	145	PRO	0	0.034	0.001	17.784	0.180	0.180	0.000	0.000	0.000	0.000
146	146	LYS	1	0.845	0.933	20.036	10.571	10.571	0.000	0.000	0.000	0.000
147	147	TYR	0	0.078	0.030	21.971	0.391	0.391	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.029	0.004	16.506	0.120	0.120	0.000	0.000	0.000	0.000
149	149	LYS	1	0.926	0.971	20.755	9.850	9.850	0.000	0.000	0.000	0.000
150	150	MET	0	-0.034	-0.003	21.465	0.227	0.227	0.000	0.000	0.000	0.000
151	151	PHE	0	0.001	-0.007	12.833	-0.432	-0.432	0.000	0.000	0.000	0.000
152	152	VAL	0	0.003	-0.007	16.922	0.523	0.523	0.000	0.000	0.000	0.000
153	153	LEU	0	0.008	0.010	13.387	-0.883	-0.883	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.772	-0.882	15.686	-13.756	-13.756	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.851	-0.934	15.299	-16.098	-16.098	0.000	0.000	0.000	0.000
156	156	ALA	0	0.001	-0.014	16.132	-0.628	-0.628	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.781	-0.828	16.751	-14.815	-14.815	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.873	-0.930	12.274	-20.532	-20.532	0.000	0.000	0.000	0.000
159	159	MET	0	-0.065	-0.004	9.489	-0.916	-0.916	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.038	-0.030	12.556	-0.314	-0.314	0.000	0.000	0.000	0.000
161	161	SER	0	0.015	0.007	13.010	0.420	0.420	0.000	0.000	0.000	0.000
162	162	ARG	1	0.808	0.880	12.886	19.489	19.489	0.000	0.000	0.000	0.000
163	163	GLY	0	0.082	0.054	10.257	-0.555	-0.555	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.039	-0.024	6.265	-1.954	-1.954	0.000	0.000	0.000	0.000
165	165	LYS	1	0.923	0.972	9.660	15.782	15.782	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.864	-0.947	9.700	-17.401	-17.401	0.000	0.000	0.000	0.000
168	168	ILE	0	-0.007	-0.010	7.358	0.421	0.421	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.029	-0.010	10.439	1.343	1.343	0.000	0.000	0.000	0.000
170	170	ASP	-1	-0.869	-0.936	8.077	-19.316	-19.316	0.000	0.000	0.000	0.000
171	171	ILE	0	-0.041	-0.015	6.921	0.316	0.316	0.000	0.000	0.000	0.000
172	172	PHE	0	-0.003	-0.013	10.475	0.998	0.998	0.000	0.000	0.000	0.000
173	173	GLN	0	0.023	0.022	13.610	0.064	0.064	0.000	0.000	0.000	0.000
174	174	LYS	1	0.771	0.877	10.847	18.100	18.100	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.013	0.014	14.813	0.419	0.419	0.000	0.000	0.000	0.000
176	176	ASN	0	0.024	0.008	17.400	0.457	0.457	0.000	0.000	0.000	0.000
177	177	SER	0	-0.010	0.004	21.257	-0.131	-0.131	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.045	-0.018	23.362	0.141	0.141	0.000	0.000	0.000	0.000
179	179	THR	0	-0.003	-0.001	19.152	0.046	0.046	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.020	-0.004	22.458	-0.107	-0.107	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.019	-0.013	18.935	-0.514	-0.514	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.010	-0.013	20.328	0.501	0.501	0.000	0.000	0.000	0.000
183	183	LEU	0	0.011	-0.003	18.571	-0.649	-0.649	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.015	-0.006	19.833	0.659	0.659	0.000	0.000	0.000	0.000
185	185	SER	0	-0.018	-0.034	19.843	-0.658	-0.658	0.000	0.000	0.000	0.000
186	186	ALA	0	0.041	0.034	21.823	0.525	0.525	0.000	0.000	0.000	0.000
187	187	THR	0	-0.010	-0.025	21.310	0.526	0.526	0.000	0.000	0.000	0.000
188	188	MET	0	-0.029	-0.025	22.516	-0.243	-0.243	0.000	0.000	0.000	0.000
189	189	PRO	0	0.049	0.039	22.260	0.510	0.510	0.000	0.000	0.000	0.000
190	190	SER	0	-0.007	-0.012	24.538	-0.120	-0.120	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.855	-0.919	21.844	-11.989	-11.989	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.044	-0.019	19.288	-0.170	-0.170	0.000	0.000	0.000	0.000
193	193	LEU	0	0.012	-0.017	21.378	0.050	0.050	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.820	-0.856	24.008	-9.801	-9.801	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.047	-0.036	18.253	0.183	0.183	0.000	0.000	0.000	0.000
196	196	THR	0	0.010	-0.008	20.600	-0.005	-0.005	0.000	0.000	0.000	0.000
197	197	LYS	1	0.824	0.900	21.706	10.366	10.366	0.000	0.000	0.000	0.000
198	198	LYS	1	0.891	0.942	19.583	12.133	12.133	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.008	0.005	14.296	-0.131	-0.131	0.000	0.000	0.000	0.000
200	200	MET	0	-0.092	-0.027	19.748	0.022	0.022	0.000	0.000	0.000	0.000
201	201	ARG	1	0.795	0.860	22.409	11.056	11.056	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.951	-0.967	26.666	-8.346	-8.346	0.000	0.000	0.000	0.000
203	203	PRO	0	0.024	0.027	25.893	0.107	0.107	0.000	0.000	0.000	0.000
204	204	ILE	0	0.001	-0.004	28.051	0.296	0.296	0.000	0.000	0.000	0.000
205	205	ARG	1	0.920	0.959	27.983	9.156	9.156	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.059	-0.028	29.028	0.385	0.385	0.000	0.000	0.000	0.000
207	207	LEU	0	0.009	0.005	27.828	-0.287	-0.287	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.004	-0.006	30.125	0.331	0.331	0.000	0.000	0.000	0.000
209	209	LYS	1	0.967	0.988	31.023	7.742	7.742	0.000	0.000	0.000	0.000
210	210	LYS	1	0.929	0.948	30.441	9.255	9.255	0.000	0.000	0.000	0.000
211	211	GLU	-1	-1.002	-1.007	32.098	-8.114	-8.114	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.906	-0.946	33.580	-8.261	-8.261	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.093	-0.026	27.417	-0.169	-0.169	0.000	0.000	0.000	0.000
214	214	THR	0	-0.024	-0.020	29.116	-0.387	-0.387	0.000	0.000	0.000	0.000
215	215	LEU	0	0.002	0.005	26.859	0.107	0.107	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.891	-0.942	31.428	-9.058	-9.058	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.027	-0.011	33.368	0.235	0.235	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.044	-0.021	28.286	0.104	0.104	0.000	0.000	0.000	0.000
219	219	ARG	1	0.929	0.980	31.656	8.609	8.609	0.000	0.000	0.000	0.000
220	220	GLN	0	0.048	0.032	30.365	-0.402	-0.402	0.000	0.000	0.000	0.000
221	221	PHE	0	0.038	0.015	31.123	0.298	0.298	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.034	-0.013	30.570	-0.494	-0.494	0.000	0.000	0.000	0.000
223	223	ILE	0	0.063	0.034	30.400	0.305	0.305	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.011	-0.006	30.957	-0.525	-0.525	0.000	0.000	0.000	0.000
225	225	VAL	0	0.048	0.019	27.887	0.081	0.081	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.858	-0.903	31.362	-8.745	-8.745	0.000	0.000	0.000	0.000
227	227	ARG	1	0.824	0.896	29.155	8.921	8.921	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.752	-0.876	22.717	-13.214	-13.214	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.977	-0.992	25.921	-11.131	-11.131	0.000	0.000	0.000	0.000
230	230	TRP	0	0.030	0.006	27.691	0.150	0.150	0.000	0.000	0.000	0.000
231	231	LYS	1	0.800	0.907	22.087	13.126	13.126	0.000	0.000	0.000	0.000
232	232	LEU	0	0.022	0.009	24.195	-0.045	-0.045	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.811	-0.899	26.423	-9.800	-9.800	0.000	0.000	0.000	0.000
234	234	THR	0	0.016	0.006	29.434	0.270	0.270	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.038	-0.016	23.369	0.052	0.052	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.107	-0.063	27.846	-0.052	-0.052	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.897	-0.939	29.685	-8.756	-8.756	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.044	-0.016	28.044	0.205	0.205	0.000	0.000	0.000	0.000
239	239	TYR	0	0.036	0.006	25.467	-0.191	-0.191	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.922	-0.956	29.959	-8.823	-8.823	0.000	0.000	0.000	0.000
241	241	THR	0	-0.029	-0.009	32.357	0.257	0.257	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.010	-0.018	25.800	-0.035	-0.035	0.000	0.000	0.000	0.000
243	243	THR	0	-0.016	-0.013	29.156	-0.224	-0.224	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.018	-0.004	30.883	0.051	0.051	0.000	0.000	0.000	0.000
245	245	THR	0	-0.084	-0.054	29.584	-0.074	-0.074	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.038	-0.002	22.074	0.213	0.213	0.000	0.000	0.000	0.000
247	247	ALA	0	0.033	0.013	24.205	0.147	0.147	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.035	-0.013	18.114	-0.475	-0.475	0.000	0.000	0.000	0.000
249	249	ILE	0	0.001	0.003	19.283	0.516	0.516	0.000	0.000	0.000	0.000
250	250	PHE	0	0.016	0.005	15.196	-0.730	-0.730	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.033	-0.023	14.966	0.906	0.906	0.000	0.000	0.000	0.000
252	252	ASN	0	0.027	0.003	14.829	-1.143	-1.143	0.000	0.000	0.000	0.000
253	253	THR	0	-0.040	-0.008	12.383	-0.686	-0.686	0.000	0.000	0.000	0.000
255	255	ARG	1	0.962	0.986	10.555	21.912	21.912	0.000	0.000	0.000	0.000
256	256	LYS	1	0.814	0.888	12.769	15.658	15.658	0.000	0.000	0.000	0.000
257	257	VAL	0	0.040	0.014	12.549	0.848	0.848	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.941	-0.959	11.903	-19.596	-19.596	0.000	0.000	0.000	0.000
259	259	TRP	0	0.085	0.043	13.962	1.242	1.242	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.040	-0.022	17.163	0.941	0.941	0.000	0.000	0.000	0.000
261	261	THR	0	-0.008	-0.026	16.177	0.757	0.757	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.920	-0.945	17.073	-15.784	-15.784	0.000	0.000	0.000	0.000
263	263	LYS	1	0.862	0.937	19.691	12.806	12.806	0.000	0.000	0.000	0.000
264	264	MET	0	-0.062	-0.036	21.898	0.486	0.486	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.007	-0.013	18.960	0.375	0.375	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.031	-0.002	23.434	0.435	0.435	0.000	0.000	0.000	0.000
267	267	ARG	1	0.794	0.887	25.587	10.983	10.983	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.895	-0.939	26.994	-9.790	-9.790	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.051	-0.016	25.174	0.008	0.008	0.000	0.000	0.000	0.000
270	270	THR	0	-0.011	-0.009	23.973	-0.428	-0.428	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.035	-0.013	19.804	0.035	0.035	0.000	0.000	0.000	0.000
272	272	SER	0	-0.020	-0.006	17.090	-0.494	-0.494	0.000	0.000	0.000	0.000
273	273	ALA	0	0.059	0.021	13.571	0.166	0.166	0.000	0.000	0.000	0.000
274	274	MET	0	-0.018	-0.022	10.560	-1.252	-1.252	0.000	0.000	0.000	0.000
275	275	HIS	0	0.027	-0.009	7.430	-1.953	-1.953	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.007	-0.015	6.130	-0.867	-0.867	0.000	0.000	0.000	0.000
281	281	LYS	1	0.862	0.918	7.870	27.503	27.503	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.873	-0.920	9.251	-20.088	-20.088	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.798	-0.886	10.032	-17.460	-17.460	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.022	-0.018	12.889	1.611	1.611	0.000	0.000	0.000	0.000
286	286	ILE	0	0.026	0.017	11.402	1.299	1.299	0.000	0.000	0.000	0.000
287	287	MET	0	-0.014	0.001	14.184	1.530	1.530	0.000	0.000	0.000	0.000
288	288	ARG	1	0.836	0.903	15.819	17.928	17.928	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.827	-0.902	18.343	-12.512	-12.512	0.000	0.000	0.000	0.000
290	290	PHE	0	-0.001	0.002	18.205	0.614	0.614	0.000	0.000	0.000	0.000
291	291	ARG	1	0.876	0.919	17.329	16.271	16.271	0.000	0.000	0.000	0.000
292	292	SER	0	-0.028	-0.001	21.797	0.621	0.621	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.054	-0.017	23.597	0.499	0.499	0.000	0.000	0.000	0.000
294	294	SER	0	-0.053	-0.027	22.459	0.481	0.481	0.000	0.000	0.000	0.000
295	295	SER	0	-0.016	-0.012	19.375	0.392	0.392	0.000	0.000	0.000	0.000
296	296	ARG	1	0.916	0.968	22.244	10.281	10.281	0.000	0.000	0.000	0.000
297	297	VAL	0	0.057	0.020	22.134	0.124	0.124	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.016	0.008	15.048	-0.366	-0.366	0.000	0.000	0.000	0.000
299	299	ILE	0	0.008	0.006	16.105	0.316	0.316	0.000	0.000	0.000	0.000
300	300	THR	0	-0.014	-0.034	13.004	-1.503	-1.503	0.000	0.000	0.000	0.000
301	301	THR	0	0.027	0.004	8.919	1.349	1.349	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.797	-0.883	12.190	-17.738	-17.738	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.022	0.019	7.262	0.597	0.597	0.000	0.000	0.000	0.000
304	304	LEU	0	0.021	-0.009	10.680	0.688	0.688	0.000	0.000	0.000	0.000
305	305	ALA	0	0.013	0.009	13.997	1.253	1.253	0.000	0.000	0.000	0.000
306	306	ARG	1	0.857	0.901	14.529	17.231	17.231	0.000	0.000	0.000	0.000
307	307	GLY	0	0.046	0.025	16.202	-0.549	-0.549	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.050	-0.023	14.689	0.622	0.622	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.883	-0.921	18.398	-11.693	-11.693	0.000	0.000	0.000	0.000
310	310	VAL	0	0.006	0.006	19.375	0.019	0.019	0.000	0.000	0.000	0.000
311	311	GLN	0	0.047	0.012	22.458	0.419	0.419	0.000	0.000	0.000	0.000
312	312	GLN	0	0.009	-0.006	24.982	0.222	0.222	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.044	-0.001	21.679	0.269	0.269	0.000	0.000	0.000	0.000
314	314	SER	0	-0.033	-0.031	25.125	0.187	0.187	0.000	0.000	0.000	0.000
315	315	LEU	0	0.034	0.003	26.691	0.013	0.013	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.009	0.001	21.733	-0.511	-0.511	0.000	0.000	0.000	0.000
317	317	ILE	0	0.005	0.003	22.764	0.447	0.447	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.015	-0.011	21.621	-1.299	-1.299	0.000	0.000	0.000	0.000
319	319	TYR	0	0.083	0.038	20.436	0.590	0.590	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.764	-0.860	18.473	-14.922	-14.922	0.000	0.000	0.000	0.000
321	321	LEU	0	0.016	0.011	20.773	-0.210	-0.210	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.013	0.016	19.770	-0.413	-0.413	0.000	0.000	0.000	0.000
323	323	THR	0	0.057	0.004	19.575	0.489	0.489	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.028	-0.005	19.271	0.403	0.403	0.000	0.000	0.000	0.000
325	325	ARG	1	0.958	0.977	21.317	11.985	11.985	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.847	-0.928	21.362	-12.331	-12.331	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.052	-0.043	16.929	-0.095	-0.095	0.000	0.000	0.000	0.000
328	328	TYR	0	-0.027	-0.020	20.226	-0.301	-0.301	0.000	0.000	0.000	0.000
329	329	ILE	0	0.009	0.007	23.128	0.052	0.052	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.055	-0.029	19.271	0.028	0.028	0.000	0.000	0.000	0.000
331	331	ARG	1	0.835	0.889	16.662	16.025	16.025	0.000	0.000	0.000	0.000
332	332	ILE	0	0.004	0.004	20.746	0.090	0.090	0.000	0.000	0.000	0.000
333	333	GLY	0	0.016	0.016	23.830	0.356	0.356	0.000	0.000	0.000	0.000
334	334	ARG	1	0.780	0.876	18.483	14.356	14.356	0.000	0.000	0.000	0.000
335	335	GLY	0	0.005	-0.004	21.972	-0.128	-0.128	0.000	0.000	0.000	0.000
336	336	GLY	0	0.001	0.000	25.089	0.141	0.141	0.000	0.000	0.000	0.000
337	337	ARG	1	0.741	0.889	24.176	12.239	12.239	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.029	-0.035	27.663	0.289	0.289	0.000	0.000	0.000	0.000
339	339	GLY	0	0.020	0.019	30.345	0.284	0.284	0.000	0.000	0.000	0.000
340	340	ARG	1	0.860	0.949	28.835	10.430	10.430	0.000	0.000	0.000	0.000
341	341	LYS	1	0.804	0.887	31.934	8.037	8.037	0.000	0.000	0.000	0.000
342	342	GLY	0	0.057	0.037	29.993	-0.210	-0.210	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.036	-0.012	29.216	0.237	0.237	0.000	0.000	0.000	0.000
344	344	ALA	0	0.007	0.008	27.088	-0.403	-0.403	0.000	0.000	0.000	0.000
345	345	ILE	0	0.014	0.005	26.860	0.349	0.349	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.029	-0.026	26.160	-0.927	-0.927	0.000	0.000	0.000	0.000
347	347	MET	0	0.010	0.006	25.583	0.262	0.262	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.023	-0.007	26.504	-0.322	-0.322	0.000	0.000	0.000	0.000
349	349	THR	0	-0.006	-0.026	26.539	0.372	0.372	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.874	-0.950	29.339	-8.715	-8.715	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.968	-0.960	26.429	-10.717	-10.717	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.854	-0.901	25.447	-12.073	-12.073	0.000	0.000	0.000	0.000
353	353	LYS	1	0.871	0.918	28.252	8.843	8.843	0.000	0.000	0.000	0.000
354	354	ARG	1	0.881	0.928	30.150	9.635	9.635	0.000	0.000	0.000	0.000
355	355	THR	0	0.051	0.024	24.613	0.099	0.099	0.000	0.000	0.000	0.000
356	356	LEU	0	0.049	0.022	27.989	-0.182	-0.182	0.000	0.000	0.000	0.000
357	357	ARG	1	0.885	0.941	29.684	8.608	8.608	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.860	-0.920	28.738	-10.120	-10.120	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.050	-0.017	25.122	-0.018	-0.018	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.767	-0.874	29.279	-8.673	-8.673	0.000	0.000	0.000	0.000
361	361	THR	0	-0.061	-0.036	32.624	0.341	0.341	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.056	-0.025	26.991	0.170	0.170	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.031	-0.048	25.498	0.132	0.132	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.098	-0.041	32.227	0.252	0.252	0.000	0.000	0.000	0.000
365	365	THR	0	0.011	0.010	34.250	0.284	0.284	0.000	0.000	0.000	0.000
366	366	SER	0	-0.020	-0.014	36.282	-0.087	-0.087	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.051	-0.027	30.573	-0.016	-0.016	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.909	-0.948	34.768	-7.749	-7.749	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.953	-0.983	35.110	-8.118	-8.118	0.000	0.000	0.000	0.000
370	370	MET	0	-0.042	-0.019	31.808	-0.006	-0.006	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.007	0.008	35.657	0.152	0.152	0.000	0.000	0.000	0.000
372	372	LEU	0	0.048	0.010	36.686	-0.159	-0.159	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.034	-0.022	37.677	-0.217	-0.217	0.000	0.000	0.000	0.000
374	374	VAL	0	0.044	0.019	32.551	0.023	0.023	0.000	0.000	0.000	0.000
375	375	ALA	0	0.034	0.003	35.585	-0.095	-0.095	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.931	-0.951	36.575	-7.486	-7.486	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.014	-0.004	34.636	0.049	0.049	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.927	-0.941	31.774	-8.713	-8.713	0.000	0.000	0.000	0.000
379	379	A	0	-0.368	-0.302	19.032	0.042	0.042	0.000	0.000	0.000	0.000
380	379	A	-1	-0.548	-0.628	13.094	-17.733	-17.733	0.000	0.000	0.000	0.000
381	380	G	0	-0.365	-0.321	15.938	-0.009	-0.009	0.000	0.000	0.000	0.000
382	380	G	-1	-0.503	-0.610	11.897	-21.803	-21.803	0.000	0.000	0.000	0.000
383	381	A	0	-0.385	-0.311	15.876	0.218	0.218	0.000	0.000	0.000	0.000
384	381	A	-1	-0.640	-0.699	11.248	-23.828	-23.828	0.000	0.000	0.000	0.000
385	382	G	0	-0.350	-0.299	12.620	-0.590	-0.590	0.000	0.000	0.000	0.000
386	382	G	-1	-0.537	-0.670	9.643	-26.377	-26.377	0.000	0.000	0.000	0.000
387	383	A	0	-0.331	-0.288	9.152	-0.242	-0.242	0.000	0.000	0.000	0.000
388	383	A	-1	-0.426	-0.558	5.122	-34.560	-34.560	0.000	0.000	0.000	0.000
389	384	A	0	-0.349	-0.292	6.078	-1.241	-1.241	0.000	0.000	0.000	0.000
396	387	G	-1	-0.649	-0.708	7.542	-26.177	-26.177	0.000	0.000	0.000	0.000
397	388	G	0	-0.332	-0.266	6.290	-5.435	-5.435	0.000	0.000	0.000	0.000
398	388	G	0	0.287	0.241	10.789	1.690	1.690	0.000	0.000	0.000	0.000

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