FMO DATABASE

FMODB ID: 85RRY

Calculation Name: 6XKI-A-MD433-82ns

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	-7622173.736565
FMO2-HF: Nuclear repulsion	7453119.476771
FMO2-HF: Total energy	-169054.259794
FMO2-MP2: Total energy	-169531.574472

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.
-261.901148	-217.302938	46.432602	-19.409232	-71.621579	0.070855

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.
-50.847	-20.177	31.187	-14.669	-47.187	-0.054

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 : -0.062 / q_NPA : -0.014

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
131	131	PRO	0	0.043	0.007	3.200	-0.816	0.112	0.134	-0.221	-0.841	0.000
132	132	GLY	0	0.010	0.014	2.496	-3.111	-0.384	4.569	-3.259	-4.037	-0.006
133	133	ARG	1	0.837	0.865	2.475	-1.401	-1.506	1.319	1.406	-2.620	-0.022
134	134	VAL	0	0.044	0.013	4.981	-0.431	-0.267	-0.001	-0.013	-0.150	0.000
135	135	PHE	0	-0.008	-0.015	2.464	-11.696	-5.569	11.221	-4.278	-13.071	0.007
136	136	ASP	-1	-0.792	-0.856	2.590	-6.184	-3.051	0.508	-1.338	-2.303	-0.005
137	137	MET	0	-0.023	-0.022	3.248	0.825	0.855	0.031	0.249	-0.310	0.000
139	139	ASN	0	-0.073	-0.023	2.451	-0.002	0.724	1.534	-0.513	-1.747	-0.002
140	140	ARG	1	0.777	0.869	4.783	0.922	1.021	-0.001	-0.007	-0.090	0.000
167	167	GLN	0	-0.018	-0.009	2.601	-7.229	-3.411	5.057	-2.369	-6.505	0.003
168	168	ILE	0	0.001	-0.010	3.387	-2.782	-2.066	0.108	0.273	-1.097	-0.003
170	170	ASP	-1	-0.857	-0.936	2.457	-8.753	-5.320	2.321	-2.417	-3.337	-0.024
171	171	ILE	0	-0.070	-0.033	3.217	-0.341	0.719	0.058	-0.176	-0.942	-0.001
172	172	PHE	0	-0.018	-0.010	5.003	0.513	0.518	-0.001	-0.004	0.001	0.000
391	385	A	0	-0.326	-0.293	4.084	-0.833	-0.574	0.001	-0.044	-0.216	0.000
392	385	A	-1	-0.446	-0.581	3.329	-2.160	-1.376	0.010	-0.192	-0.602	0.000
393	386	A	0	-0.354	-0.305	3.078	-5.634	-0.220	2.523	-0.551	-7.386	-0.006
394	386	A	-1	-0.513	-0.607	2.342	-1.293	0.059	1.796	-1.215	-1.934	0.005
1	1	GLU	0	-0.061	-0.043	35.777	0.006	0.006	0.000	0.000	0.000	0.000
2	2	ILE	0	-0.032	-0.017	35.209	-0.004	-0.004	0.000	0.000	0.000	0.000
3	3	VAL	0	0.029	0.023	34.668	0.002	0.002	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.922	-0.960	36.375	-0.050	-0.050	0.000	0.000	0.000	0.000
5	5	SER	0	0.100	0.024	37.886	-0.001	-0.001	0.000	0.000	0.000	0.000
6	6	PHE	0	0.041	-0.006	31.484	-0.001	-0.001	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.936	-0.962	35.590	-0.050	-0.050	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.855	-0.919	38.241	-0.045	-0.045	0.000	0.000	0.000	0.000
9	9	MET	0	-0.169	-0.075	32.503	-0.001	-0.001	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.088	-0.046	33.746	-0.003	-0.003	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.005	0.008	30.808	-0.001	-0.001	0.000	0.000	0.000	0.000
12	12	SER	0	0.048	0.026	31.921	0.004	0.004	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.894	-0.954	34.638	-0.051	-0.051	0.000	0.000	0.000	0.000
14	14	SER	0	-0.035	-0.031	33.429	-0.001	-0.001	0.000	0.000	0.000	0.000
15	15	LEU	0	0.034	0.024	28.557	-0.004	-0.004	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.001	0.006	32.283	-0.003	-0.003	0.000	0.000	0.000	0.000
17	17	ARG	1	0.945	0.963	35.323	0.059	0.059	0.000	0.000	0.000	0.000
18	18	GLY	0	0.051	0.031	32.306	0.000	0.000	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.022	-0.021	31.148	-0.003	-0.003	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.001	-0.006	33.171	0.000	0.000	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.042	-0.013	34.504	0.001	0.001	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.052	-0.018	27.071	-0.005	-0.005	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.028	-0.002	32.993	-0.002	-0.002	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.089	-0.044	29.845	-0.001	-0.001	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.888	-0.955	35.380	-0.051	-0.051	0.000	0.000	0.000	0.000
26	26	LYS	1	0.925	0.965	36.995	0.053	0.053	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.025	0.016	33.026	-0.003	-0.003	0.000	0.000	0.000	0.000
28	28	SER	0	0.038	0.004	30.987	0.004	0.004	0.000	0.000	0.000	0.000
29	29	ALA	0	0.021	0.002	33.412	0.000	0.000	0.000	0.000	0.000	0.000
30	30	ILE	0	0.015	0.007	27.788	0.003	0.003	0.000	0.000	0.000	0.000
31	31	GLN	0	0.029	0.008	28.162	0.004	0.004	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.034	-0.032	30.438	0.002	0.002	0.000	0.000	0.000	0.000
33	33	ARG	1	0.862	0.927	30.786	0.065	0.065	0.000	0.000	0.000	0.000
34	34	ALA	0	0.014	0.014	26.292	-0.001	-0.001	0.000	0.000	0.000	0.000
35	35	ILE	0	0.075	0.043	26.830	-0.003	-0.003	0.000	0.000	0.000	0.000
36	36	LEU	0	0.025	0.020	27.774	-0.001	-0.001	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.050	-0.041	26.899	0.002	0.002	0.000	0.000	0.000	0.000
38	38	CYS	0	0.007	0.006	23.652	-0.003	-0.003	0.000	0.000	0.000	0.000
39	39	ILE	0	0.037	0.025	24.426	-0.003	-0.003	0.000	0.000	0.000	0.000
40	40	LYS	1	0.899	0.945	26.728	0.055	0.055	0.000	0.000	0.000	0.000
41	41	GLY	0	0.035	0.028	23.753	0.005	0.005	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.076	-0.029	22.936	0.000	0.000	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.783	-0.879	19.394	-0.129	-0.129	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.070	-0.052	20.170	0.012	0.012	0.000	0.000	0.000	0.000
45	45	ILE	0	0.010	0.003	19.551	-0.013	-0.013	0.000	0.000	0.000	0.000
46	46	ALA	0	-0.023	-0.015	21.861	0.012	0.012	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.014	-0.022	23.252	-0.006	-0.006	0.000	0.000	0.000	0.000
48	48	ALA	0	0.025	0.006	25.495	0.009	0.009	0.000	0.000	0.000	0.000
49	49	GLN	0	0.008	-0.008	26.116	-0.010	-0.010	0.000	0.000	0.000	0.000
50	50	SER	0	0.047	0.014	24.204	-0.003	-0.003	0.000	0.000	0.000	0.000
51	51	GLY	0	-0.004	0.002	26.021	-0.001	-0.001	0.000	0.000	0.000	0.000
52	52	THR	0	-0.052	-0.027	28.276	0.004	0.004	0.000	0.000	0.000	0.000
53	53	GLY	0	0.070	0.049	28.196	0.003	0.003	0.000	0.000	0.000	0.000
54	54	LYS	1	0.788	0.869	20.324	0.159	0.159	0.000	0.000	0.000	0.000
55	55	THR	0	0.053	0.021	20.908	-0.002	-0.002	0.000	0.000	0.000	0.000
56	56	ALA	0	0.048	0.020	22.963	-0.003	-0.003	0.000	0.000	0.000	0.000
57	57	THR	0	-0.014	-0.001	24.603	0.004	0.004	0.000	0.000	0.000	0.000
58	58	PHE	0	0.035	0.018	18.874	0.003	0.003	0.000	0.000	0.000	0.000
59	59	ALA	0	0.002	0.003	22.006	0.001	0.001	0.000	0.000	0.000	0.000
60	60	ILE	0	0.022	0.003	22.889	0.003	0.003	0.000	0.000	0.000	0.000
61	61	SER	0	-0.014	-0.022	23.315	0.008	0.008	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.011	0.002	18.694	0.002	0.002	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.006	-0.005	22.527	0.006	0.006	0.000	0.000	0.000	0.000
64	64	GLN	0	0.033	0.009	25.337	0.003	0.003	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.090	-0.042	22.352	0.001	0.001	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.092	-0.032	21.919	0.001	0.001	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.883	-0.927	25.561	-0.052	-0.052	0.000	0.000	0.000	0.000
68	68	LEU	0	0.008	-0.016	26.489	-0.005	-0.005	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.901	-0.937	27.988	-0.057	-0.057	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.083	-0.032	21.756	0.003	0.003	0.000	0.000	0.000	0.000
71	71	LYS	1	0.949	0.973	23.282	0.083	0.083	0.000	0.000	0.000	0.000
72	72	ALA	0	0.002	-0.011	18.562	-0.001	-0.001	0.000	0.000	0.000	0.000
73	73	THR	0	-0.052	-0.026	15.100	-0.007	-0.007	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.020	-0.025	17.254	0.001	0.001	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.014	-0.006	16.721	0.004	0.004	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.022	-0.006	9.464	-0.011	-0.011	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.008	0.001	13.620	0.005	0.005	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.019	-0.016	7.037	-0.024	-0.024	0.000	0.000	0.000	0.000
79	79	ALA	0	0.019	0.003	10.285	0.039	0.039	0.000	0.000	0.000	0.000
80	80	PRO	0	-0.012	-0.010	9.705	-0.072	-0.072	0.000	0.000	0.000	0.000
81	81	THR	0	0.043	0.022	11.010	-0.023	-0.023	0.000	0.000	0.000	0.000
82	82	ARG	1	0.828	0.889	8.058	0.838	0.838	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.766	-0.867	12.131	-0.280	-0.280	0.000	0.000	0.000	0.000
84	84	LEU	0	0.002	0.004	14.626	0.033	0.033	0.000	0.000	0.000	0.000
85	85	ALA	0	0.013	0.009	12.368	0.023	0.023	0.000	0.000	0.000	0.000
86	86	GLN	0	0.064	0.022	14.546	0.036	0.036	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.021	0.021	17.457	0.019	0.019	0.000	0.000	0.000	0.000
88	88	ILE	0	0.030	0.007	15.928	0.018	0.018	0.000	0.000	0.000	0.000
89	89	GLN	0	0.039	0.026	17.783	0.013	0.013	0.000	0.000	0.000	0.000
90	90	LYS	1	0.829	0.896	19.613	0.200	0.200	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.020	0.002	22.405	0.011	0.011	0.000	0.000	0.000	0.000
92	92	VAL	0	-0.013	-0.021	19.885	0.009	0.009	0.000	0.000	0.000	0.000
93	93	MET	0	-0.023	-0.017	22.810	0.006	0.006	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.027	0.006	25.348	0.008	0.008	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.018	-0.009	25.901	0.007	0.007	0.000	0.000	0.000	0.000
96	96	GLY	0	-0.002	-0.010	26.661	0.006	0.006	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.932	-0.953	27.641	-0.085	-0.085	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.050	-0.037	30.656	0.003	0.003	0.000	0.000	0.000	0.000
99	99	MET	0	-0.044	-0.018	27.487	0.003	0.003	0.000	0.000	0.000	0.000
100	100	GLY	0	0.014	0.023	29.391	0.003	0.003	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.046	-0.013	24.856	-0.003	-0.003	0.000	0.000	0.000	0.000
102	102	SER	0	0.004	0.013	22.352	-0.009	-0.009	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.041	-0.026	18.490	-0.011	-0.011	0.000	0.000	0.000	0.000
104	104	HIS	0	0.008	0.000	12.317	0.036	0.036	0.000	0.000	0.000	0.000
105	105	ALA	0	0.013	0.007	14.540	-0.010	-0.010	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.086	-0.039	9.028	-0.011	-0.011	0.000	0.000	0.000	0.000
107	107	ILE	0	0.009	0.005	9.632	-0.026	-0.026	0.000	0.000	0.000	0.000
108	108	GLY	0	0.019	0.012	7.985	0.046	0.046	0.000	0.000	0.000	0.000
109	109	GLY	0	0.034	0.018	8.600	0.021	0.021	0.000	0.000	0.000	0.000
110	110	THR	0	-0.020	-0.006	11.210	0.056	0.056	0.000	0.000	0.000	0.000
111	111	ASN	0	0.024	0.005	11.800	-0.007	-0.007	0.000	0.000	0.000	0.000
112	112	VAL	0	0.080	0.040	7.825	-0.006	-0.006	0.000	0.000	0.000	0.000
113	113	ARG	1	0.932	0.967	11.076	0.123	0.123	0.000	0.000	0.000	0.000
114	114	ALA	0	0.035	0.008	13.428	0.004	0.004	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.729	-0.829	10.271	-0.377	-0.377	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.015	-0.011	10.900	0.006	0.006	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.045	-0.034	13.581	0.019	0.019	0.000	0.000	0.000	0.000
118	118	LYS	1	0.893	0.958	16.581	0.218	0.218	0.000	0.000	0.000	0.000
119	119	LEU	0	-0.007	-0.011	12.306	0.014	0.014	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.064	-0.029	15.446	0.023	0.023	0.000	0.000	0.000	0.000
121	121	MET	0	-0.035	-0.007	18.646	0.014	0.014	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.939	-0.989	19.126	-0.142	-0.142	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.060	-0.016	19.270	0.006	0.006	0.000	0.000	0.000	0.000
124	124	PRO	0	0.005	0.010	17.121	0.008	0.008	0.000	0.000	0.000	0.000
125	125	HIS	0	0.094	0.051	19.049	-0.015	-0.015	0.000	0.000	0.000	0.000
126	126	ILE	0	0.001	0.006	17.777	-0.004	-0.004	0.000	0.000	0.000	0.000
127	127	ILE	0	-0.024	-0.015	12.118	-0.008	-0.008	0.000	0.000	0.000	0.000
128	128	VAL	0	0.047	0.031	13.835	-0.001	-0.001	0.000	0.000	0.000	0.000
129	129	GLY	0	-0.001	-0.012	10.407	-0.001	-0.001	0.000	0.000	0.000	0.000
130	130	THR	0	0.006	-0.006	6.697	0.059	0.059	0.000	0.000	0.000	0.000
138	138	LEU	0	0.000	0.006	5.460	0.199	0.199	0.000	0.000	0.000	0.000
141	141	ARG	1	0.910	0.963	7.549	0.044	0.044	0.000	0.000	0.000	0.000
142	142	TYR	0	0.032	0.025	9.922	0.056	0.056	0.000	0.000	0.000	0.000
143	143	LEU	0	0.034	0.042	8.853	0.036	0.036	0.000	0.000	0.000	0.000
144	144	SER	0	0.018	-0.012	10.517	0.025	0.025	0.000	0.000	0.000	0.000
145	145	PRO	0	0.042	0.013	11.039	0.003	0.003	0.000	0.000	0.000	0.000
146	146	LYS	1	0.840	0.928	13.993	-0.021	-0.021	0.000	0.000	0.000	0.000
147	147	TYR	0	0.003	-0.005	16.535	0.013	0.013	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.005	0.012	12.692	0.000	0.000	0.000	0.000	0.000	0.000
149	149	LYS	1	0.968	0.989	16.186	0.068	0.068	0.000	0.000	0.000	0.000
150	150	MET	0	0.013	0.026	17.165	0.002	0.002	0.000	0.000	0.000	0.000
151	151	PHE	0	-0.008	-0.017	8.946	-0.026	-0.026	0.000	0.000	0.000	0.000
152	152	VAL	0	-0.005	-0.004	14.011	0.017	0.017	0.000	0.000	0.000	0.000
153	153	LEU	0	0.038	0.007	11.036	-0.029	-0.029	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.797	-0.889	13.883	-0.155	-0.155	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.861	-0.913	14.807	-0.203	-0.203	0.000	0.000	0.000	0.000
156	156	ALA	0	0.014	-0.001	14.881	-0.010	-0.010	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.765	-0.829	14.913	-0.158	-0.158	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.890	-0.936	12.780	-0.237	-0.237	0.000	0.000	0.000	0.000
159	159	MET	0	-0.051	-0.007	8.523	-0.014	-0.014	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.036	-0.024	10.661	0.019	0.019	0.000	0.000	0.000	0.000
161	161	SER	0	0.011	-0.007	11.692	0.021	0.021	0.000	0.000	0.000	0.000
162	162	ARG	1	0.813	0.866	10.895	0.047	0.047	0.000	0.000	0.000	0.000
163	163	GLY	0	0.063	0.051	7.939	0.033	0.033	0.000	0.000	0.000	0.000
164	164	PHE	0	0.018	0.000	5.815	0.172	0.172	0.000	0.000	0.000	0.000
165	165	LYS	1	0.958	0.992	7.257	0.243	0.243	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.914	-0.957	4.865	-0.260	-0.260	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.008	-0.001	6.232	-0.117	-0.117	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.006	0.004	7.254	0.190	0.190	0.000	0.000	0.000	0.000
174	174	LYS	1	0.891	0.960	5.809	-0.905	-0.905	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.012	-0.009	8.492	0.123	0.123	0.000	0.000	0.000	0.000
176	176	ASN	0	0.006	0.016	11.004	0.052	0.052	0.000	0.000	0.000	0.000
177	177	SER	0	0.048	0.031	14.585	-0.029	-0.029	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.070	-0.042	15.615	-0.003	-0.003	0.000	0.000	0.000	0.000
179	179	THR	0	-0.084	-0.056	13.900	0.001	0.001	0.000	0.000	0.000	0.000
180	180	GLN	0	0.023	0.022	16.569	-0.005	-0.005	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.028	-0.017	14.132	-0.028	-0.028	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.011	-0.010	16.130	0.021	0.021	0.000	0.000	0.000	0.000
183	183	LEU	0	0.002	0.000	14.641	-0.018	-0.018	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.020	-0.011	17.983	0.018	0.018	0.000	0.000	0.000	0.000
185	185	SER	0	0.018	-0.013	18.690	-0.014	-0.014	0.000	0.000	0.000	0.000
186	186	ALA	0	0.008	0.015	20.891	0.010	0.010	0.000	0.000	0.000	0.000
187	187	THR	0	-0.012	-0.012	20.810	0.009	0.009	0.000	0.000	0.000	0.000
188	188	MET	0	-0.002	-0.008	20.452	-0.010	-0.010	0.000	0.000	0.000	0.000
189	189	PRO	0	0.051	0.039	20.469	0.009	0.009	0.000	0.000	0.000	0.000
190	190	SER	0	-0.031	-0.022	22.100	-0.003	-0.003	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.843	-0.924	20.928	-0.055	-0.055	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.051	-0.019	16.598	-0.003	-0.003	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.006	-0.013	17.840	-0.010	-0.010	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.928	-0.943	19.939	-0.068	-0.068	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.044	-0.024	13.357	-0.001	-0.001	0.000	0.000	0.000	0.000
196	196	THR	0	-0.018	-0.029	15.405	-0.018	-0.018	0.000	0.000	0.000	0.000
197	197	LYS	1	0.942	0.970	16.797	0.055	0.055	0.000	0.000	0.000	0.000
198	198	LYS	1	0.863	0.950	9.759	0.286	0.286	0.000	0.000	0.000	0.000
199	199	PHE	0	0.003	-0.001	9.041	-0.022	-0.022	0.000	0.000	0.000	0.000
200	200	MET	0	0.000	0.015	14.149	0.002	0.002	0.000	0.000	0.000	0.000
201	201	ARG	1	0.937	0.958	17.791	0.043	0.043	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.955	-0.970	21.308	-0.045	-0.045	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.010	0.011	20.988	0.001	0.001	0.000	0.000	0.000	0.000
204	204	ILE	0	0.000	-0.002	23.008	0.008	0.008	0.000	0.000	0.000	0.000
205	205	ARG	1	0.940	0.971	23.198	0.070	0.070	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.022	-0.008	26.110	0.008	0.008	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.003	-0.008	24.277	-0.005	-0.005	0.000	0.000	0.000	0.000
208	208	VAL	0	0.012	0.011	28.023	0.006	0.006	0.000	0.000	0.000	0.000
209	209	LYS	1	0.941	0.967	29.294	0.050	0.050	0.000	0.000	0.000	0.000
210	210	LYS	1	0.832	0.898	29.664	0.051	0.051	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.803	-0.897	30.694	-0.056	-0.056	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.947	-0.960	31.394	-0.060	-0.060	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.089	-0.042	26.745	-0.004	-0.004	0.000	0.000	0.000	0.000
214	214	THR	0	0.003	0.013	29.817	-0.003	-0.003	0.000	0.000	0.000	0.000
215	215	LEU	0	0.009	0.018	28.012	0.000	0.000	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.868	-0.933	32.311	-0.057	-0.057	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.075	-0.042	34.900	-0.003	-0.003	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.036	-0.023	30.401	0.000	0.000	0.000	0.000	0.000	0.000
219	219	ARG	1	0.769	0.867	34.546	0.063	0.063	0.000	0.000	0.000	0.000
220	220	GLN	0	0.061	0.033	32.791	-0.006	-0.006	0.000	0.000	0.000	0.000
221	221	PHE	0	0.066	0.032	35.577	0.003	0.003	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.023	-0.021	35.596	-0.004	-0.004	0.000	0.000	0.000	0.000
223	223	ILE	0	0.045	0.015	36.936	0.003	0.003	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.024	-0.020	37.908	-0.003	-0.003	0.000	0.000	0.000	0.000
225	225	VAL	0	0.016	0.009	35.725	0.001	0.001	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.926	-0.940	39.132	-0.033	-0.033	0.000	0.000	0.000	0.000
227	227	ARG	1	0.899	0.936	38.354	0.038	0.038	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.761	-0.856	31.752	-0.066	-0.066	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.983	-1.000	35.157	-0.043	-0.043	0.000	0.000	0.000	0.000
230	230	TRP	0	0.015	0.006	37.179	-0.001	-0.001	0.000	0.000	0.000	0.000
231	231	LYS	1	0.842	0.912	30.505	0.068	0.068	0.000	0.000	0.000	0.000
232	232	LEU	0	0.006	0.010	35.169	-0.002	-0.002	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.798	-0.899	36.634	-0.045	-0.045	0.000	0.000	0.000	0.000
234	234	THR	0	-0.007	0.000	38.012	0.001	0.001	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.026	-0.024	33.207	-0.001	-0.001	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.091	-0.051	37.169	-0.001	-0.001	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.906	-0.940	40.024	-0.045	-0.045	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.023	-0.016	36.628	-0.001	-0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	0.002	0.021	36.417	-0.004	-0.004	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.919	-0.960	38.826	-0.048	-0.048	0.000	0.000	0.000	0.000
241	241	THR	0	-0.051	-0.042	37.503	-0.001	-0.001	0.000	0.000	0.000	0.000
242	242	LEU	0	0.006	0.009	34.549	-0.002	-0.002	0.000	0.000	0.000	0.000
243	243	THR	0	-0.009	0.001	37.936	-0.003	-0.003	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.003	0.010	39.629	-0.001	-0.001	0.000	0.000	0.000	0.000
245	245	THR	0	-0.088	-0.061	34.897	-0.003	-0.003	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.029	-0.010	28.841	0.006	0.006	0.000	0.000	0.000	0.000
247	247	ALA	0	0.029	0.008	31.174	-0.001	-0.001	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.026	-0.011	24.443	-0.005	-0.005	0.000	0.000	0.000	0.000
249	249	ILE	0	-0.003	-0.001	27.010	0.006	0.006	0.000	0.000	0.000	0.000
250	250	PHE	0	0.032	0.009	21.072	-0.009	-0.009	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.019	-0.020	23.413	0.013	0.013	0.000	0.000	0.000	0.000
252	252	ASN	0	0.026	0.002	21.989	-0.021	-0.021	0.000	0.000	0.000	0.000
253	253	THR	0	-0.029	-0.003	20.609	-0.003	-0.003	0.000	0.000	0.000	0.000
254	254	ARG	1	0.952	0.958	13.185	0.309	0.309	0.000	0.000	0.000	0.000
255	255	ARG	1	0.951	0.971	20.978	0.079	0.079	0.000	0.000	0.000	0.000
256	256	LYS	1	0.801	0.876	24.131	0.083	0.083	0.000	0.000	0.000	0.000
257	257	VAL	0	0.024	0.015	22.239	0.005	0.005	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.937	-0.952	24.826	-0.090	-0.090	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.001	0.004	26.433	0.006	0.006	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.004	-0.007	28.991	0.005	0.005	0.000	0.000	0.000	0.000
261	261	THR	0	0.008	-0.019	27.285	0.001	0.001	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.919	-0.946	29.960	-0.065	-0.065	0.000	0.000	0.000	0.000
263	263	LYS	1	0.898	0.948	32.397	0.056	0.056	0.000	0.000	0.000	0.000
264	264	MET	0	-0.024	-0.015	32.810	0.002	0.002	0.000	0.000	0.000	0.000
265	265	HIS	0	0.034	0.030	33.654	0.002	0.002	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.037	-0.016	35.603	0.003	0.003	0.000	0.000	0.000	0.000
267	267	ARG	1	0.753	0.864	38.033	0.051	0.051	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.908	-0.939	39.477	-0.047	-0.047	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.046	-0.026	36.829	0.000	0.000	0.000	0.000	0.000	0.000
270	270	THR	0	-0.042	-0.029	35.012	-0.002	-0.002	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.006	-0.013	29.741	-0.002	-0.002	0.000	0.000	0.000	0.000
272	272	SER	0	0.004	0.010	26.766	-0.003	-0.003	0.000	0.000	0.000	0.000
273	273	ALA	0	0.036	0.017	24.507	0.000	0.000	0.000	0.000	0.000	0.000
274	274	MET	0	-0.030	-0.011	18.553	-0.014	-0.014	0.000	0.000	0.000	0.000
275	275	HIS	0	0.058	0.012	17.742	-0.015	-0.015	0.000	0.000	0.000	0.000
276	276	GLY	0	-0.007	-0.025	13.865	-0.008	-0.008	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.022	-1.003	13.789	-0.236	-0.236	0.000	0.000	0.000	0.000
278	278	MET	0	-0.021	0.021	16.215	0.025	0.025	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.854	-0.930	15.833	-0.236	-0.236	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.043	-0.038	13.461	-0.040	-0.040	0.000	0.000	0.000	0.000
281	281	LYS	1	0.892	0.930	16.072	0.151	0.151	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.876	-0.920	19.350	-0.123	-0.123	0.000	0.000	0.000	0.000
283	283	ARG	1	0.773	0.843	12.014	0.450	0.450	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.836	-0.916	18.731	-0.184	-0.184	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.022	-0.011	19.975	0.011	0.011	0.000	0.000	0.000	0.000
286	286	ILE	0	0.027	0.016	21.287	0.008	0.008	0.000	0.000	0.000	0.000
287	287	MET	0	-0.011	0.004	19.649	0.014	0.014	0.000	0.000	0.000	0.000
288	288	ARG	1	0.804	0.884	22.073	0.165	0.165	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.882	-0.938	24.843	-0.096	-0.096	0.000	0.000	0.000	0.000
290	290	PHE	0	0.006	0.007	25.118	0.006	0.006	0.000	0.000	0.000	0.000
291	291	ARG	1	0.831	0.897	20.762	0.176	0.176	0.000	0.000	0.000	0.000
292	292	SER	0	-0.024	-0.010	27.401	0.006	0.006	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.010	-0.001	29.948	0.006	0.006	0.000	0.000	0.000	0.000
294	294	SER	0	-0.023	-0.005	31.481	0.006	0.006	0.000	0.000	0.000	0.000
295	295	SER	0	-0.001	0.017	28.076	0.004	0.004	0.000	0.000	0.000	0.000
296	296	ARG	1	0.886	0.934	30.582	0.071	0.071	0.000	0.000	0.000	0.000
297	297	VAL	0	0.018	-0.006	30.311	0.001	0.001	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.019	0.017	22.781	-0.002	-0.002	0.000	0.000	0.000	0.000
299	299	ILE	0	0.016	0.003	24.991	0.000	0.000	0.000	0.000	0.000	0.000
300	300	THR	0	-0.030	-0.041	20.151	-0.018	-0.018	0.000	0.000	0.000	0.000
301	301	THR	0	0.022	-0.004	17.406	0.015	0.015	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.771	-0.877	17.373	-0.166	-0.166	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.025	0.010	13.577	-0.018	-0.018	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.011	-0.025	15.681	-0.017	-0.017	0.000	0.000	0.000	0.000
305	305	ALA	0	0.025	0.017	18.143	0.020	0.020	0.000	0.000	0.000	0.000
306	306	ARG	1	0.820	0.870	16.033	0.195	0.195	0.000	0.000	0.000	0.000
307	307	GLY	0	0.024	0.010	18.026	-0.014	-0.014	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.008	0.002	17.272	0.006	0.006	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.821	-0.893	20.943	-0.128	-0.128	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.005	-0.007	23.919	-0.003	-0.003	0.000	0.000	0.000	0.000
311	311	GLN	0	0.039	0.010	26.381	0.003	0.003	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.017	-0.023	29.866	0.003	0.003	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.009	0.013	27.596	0.006	0.006	0.000	0.000	0.000	0.000
314	314	SER	0	-0.021	-0.015	30.790	-0.001	-0.001	0.000	0.000	0.000	0.000
315	315	LEU	0	0.030	0.019	32.775	0.000	0.000	0.000	0.000	0.000	0.000
316	316	VAL	0	0.011	0.005	27.454	-0.006	-0.006	0.000	0.000	0.000	0.000
317	317	ILE	0	0.003	0.003	29.362	0.006	0.006	0.000	0.000	0.000	0.000
318	318	ASN	0	0.028	0.009	26.730	-0.015	-0.015	0.000	0.000	0.000	0.000
319	319	TYR	0	0.051	0.015	28.563	0.008	0.008	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.812	-0.895	26.201	-0.081	-0.081	0.000	0.000	0.000	0.000
321	321	LEU	0	0.036	0.023	26.838	-0.008	-0.008	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.022	0.019	23.381	0.002	0.002	0.000	0.000	0.000	0.000
323	323	THR	0	0.039	0.004	24.200	0.009	0.009	0.000	0.000	0.000	0.000
324	324	ASN	0	0.006	0.004	20.515	-0.001	-0.001	0.000	0.000	0.000	0.000
325	325	ARG	1	0.949	0.966	23.426	0.057	0.057	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.895	-0.928	21.488	-0.096	-0.096	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.070	-0.055	19.402	0.004	0.004	0.000	0.000	0.000	0.000
328	328	TYR	0	0.005	-0.014	21.738	-0.004	-0.004	0.000	0.000	0.000	0.000
329	329	ILE	0	-0.003	-0.002	24.727	-0.001	-0.001	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.050	-0.040	21.015	-0.003	-0.003	0.000	0.000	0.000	0.000
331	331	ARG	1	0.832	0.896	21.491	0.131	0.131	0.000	0.000	0.000	0.000
332	332	ILE	0	0.005	0.006	24.007	0.001	0.001	0.000	0.000	0.000	0.000
333	333	GLY	0	-0.005	0.006	25.667	0.004	0.004	0.000	0.000	0.000	0.000
334	334	ARG	1	0.759	0.883	21.243	0.150	0.150	0.000	0.000	0.000	0.000
335	335	GLY	0	0.038	0.023	25.465	0.001	0.001	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.009	-0.007	29.309	-0.001	-0.001	0.000	0.000	0.000	0.000
337	337	ARG	1	0.800	0.914	26.157	0.113	0.113	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.045	-0.034	30.167	0.005	0.005	0.000	0.000	0.000	0.000
339	339	GLY	0	0.030	0.020	32.310	0.004	0.004	0.000	0.000	0.000	0.000
340	340	ARG	1	0.860	0.943	33.456	0.085	0.085	0.000	0.000	0.000	0.000
341	341	LYS	1	0.952	0.986	34.666	0.052	0.052	0.000	0.000	0.000	0.000
342	342	GLY	0	0.087	0.041	33.305	0.002	0.002	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.025	0.005	33.701	0.004	0.004	0.000	0.000	0.000	0.000
344	344	ALA	0	0.014	0.006	31.426	-0.005	-0.005	0.000	0.000	0.000	0.000
345	345	ILE	0	0.026	0.016	32.597	0.004	0.004	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.013	-0.011	31.033	-0.010	-0.010	0.000	0.000	0.000	0.000
347	347	MET	0	0.012	0.018	32.705	0.006	0.006	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.071	-0.036	32.974	-0.003	-0.003	0.000	0.000	0.000	0.000
349	349	THR	0	-0.003	-0.007	34.734	0.004	0.004	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.886	-0.957	36.394	-0.038	-0.038	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.787	-0.886	33.696	-0.035	-0.035	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.826	-0.873	31.996	-0.058	-0.058	0.000	0.000	0.000	0.000
353	353	LYS	1	0.962	0.980	33.062	0.041	0.041	0.000	0.000	0.000	0.000
354	354	ARG	1	0.798	0.871	35.096	0.035	0.035	0.000	0.000	0.000	0.000
355	355	THR	0	-0.016	-0.010	28.874	0.001	0.001	0.000	0.000	0.000	0.000
356	356	LEU	0	0.001	0.000	31.809	-0.002	-0.002	0.000	0.000	0.000	0.000
357	357	ARG	1	0.859	0.935	33.034	0.042	0.042	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.803	-0.882	31.136	-0.051	-0.051	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.020	-0.007	28.195	-0.002	-0.002	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.813	-0.899	31.323	-0.050	-0.050	0.000	0.000	0.000	0.000
361	361	THR	0	-0.061	-0.061	34.519	0.001	0.001	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.016	0.011	28.204	0.001	0.001	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.044	-0.055	26.292	-0.001	-0.001	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.056	-0.031	33.054	-0.001	-0.001	0.000	0.000	0.000	0.000
365	365	THR	0	-0.015	-0.003	34.398	0.000	0.000	0.000	0.000	0.000	0.000
366	366	SER	0	-0.076	-0.060	37.577	0.003	0.003	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.063	-0.031	33.399	-0.003	-0.003	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.853	-0.899	37.844	-0.044	-0.044	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.958	-0.981	40.004	-0.040	-0.040	0.000	0.000	0.000	0.000
370	370	MET	0	-0.024	-0.007	39.005	-0.002	-0.002	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.021	0.006	41.695	0.002	0.002	0.000	0.000	0.000	0.000
372	372	LEU	0	0.016	-0.005	43.142	-0.002	-0.002	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.005	0.005	45.370	-0.001	-0.001	0.000	0.000	0.000	0.000
374	374	VAL	0	0.069	0.014	41.950	-0.001	-0.001	0.000	0.000	0.000	0.000
375	375	ALA	0	-0.063	-0.033	43.561	-0.002	-0.002	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.932	-0.961	45.633	-0.040	-0.040	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.084	-0.029	38.640	-0.001	-0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.862	-0.923	38.149	-0.058	-0.058	0.000	0.000	0.000	0.000
379	379	A	0	-0.360	-0.297	20.780	0.000	0.000	0.000	0.000	0.000	0.000
380	379	A	-1	-0.561	-0.642	16.348	-0.001	-0.001	0.000	0.000	0.000	0.000
381	380	G	0	-0.345	-0.305	19.205	-0.014	-0.014	0.000	0.000	0.000	0.000
382	380	G	-1	-0.564	-0.642	16.183	0.022	0.022	0.000	0.000	0.000	0.000
383	381	A	0	-0.379	-0.317	16.601	-0.009	-0.009	0.000	0.000	0.000	0.000
384	381	A	-1	-0.594	-0.665	15.896	-0.068	-0.068	0.000	0.000	0.000	0.000
385	382	G	0	-0.360	-0.305	14.713	-0.005	-0.005	0.000	0.000	0.000	0.000
386	382	G	-1	-0.583	-0.695	17.217	-0.144	-0.144	0.000	0.000	0.000	0.000
387	383	A	0	-0.333	-0.292	11.625	-0.022	-0.022	0.000	0.000	0.000	0.000
388	383	A	-1	-0.483	-0.579	12.468	-0.280	-0.280	0.000	0.000	0.000	0.000
389	384	A	0	-0.341	-0.284	8.667	-0.077	-0.077	0.000	0.000	0.000	0.000
390	384	A	-1	-0.457	-0.582	7.816	-0.486	-0.486	0.000	0.000	0.000	0.000
395	387	A	0	-0.358	-0.297	6.381	0.042	0.042	0.000	0.000	0.000	0.000
396	387	A	-1	-0.627	-0.678	6.419	-0.091	-0.091	0.000	0.000	0.000	0.000
397	388	G	0	-0.378	-0.311	10.016	0.142	0.142	0.000	0.000	0.000	0.000
398	388	G	0	0.263	0.193	8.387	-0.004	-0.004	0.000	0.000	0.000	0.000

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