FMO DATABASE

FMODB ID: R9628

Calculation Name: 6XKI-A-MD433-79ns

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	-7638037.718518
FMO2-HF: Nuclear repulsion	7468683.69828
FMO2-HF: Total energy	-169354.020237
FMO2-MP2: Total energy	-169832.166539

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.
-317.957367	-268.118121	48.790245	-20.268629	-78.360862	0.064697

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.
-51.635	-18.408	30.381	-13.832	-49.776	-0.04

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 : -0.089 / q_NPA : -0.033

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	0.027	-0.002	3.531	-0.600	0.050	0.026	-0.134	-0.541	0.000
132	132	GLY	0	0.027	0.020	2.435	-2.801	-0.106	4.258	-3.435	-3.518	-0.004
133	133	ARG	1	0.834	0.862	2.789	0.957	0.623	0.472	1.805	-1.943	-0.014
134	134	VAL	0	0.035	0.015	5.181	-0.072	0.068	-0.001	-0.008	-0.130	0.000
135	135	PHE	0	-0.007	-0.004	2.468	-10.539	-3.701	8.199	-3.793	-11.245	0.009
136	136	ASP	-1	-0.767	-0.850	2.597	-5.155	-2.851	0.493	-0.860	-1.937	-0.001
137	137	MET	0	-0.038	-0.013	3.422	0.481	0.628	0.023	0.087	-0.257	0.000
139	139	ASN	0	-0.117	-0.056	2.907	-1.705	-0.381	0.620	-0.534	-1.411	-0.004
140	140	ARG	1	0.835	0.899	4.994	1.397	1.498	-0.001	-0.004	-0.095	0.000
166	166	ASP	-1	-0.908	-0.951	4.194	0.253	0.379	-0.001	-0.017	-0.108	0.000
167	167	GLN	0	-0.014	-0.016	2.559	-9.435	-3.847	5.493	-3.275	-7.806	0.000
168	168	ILE	0	-0.001	-0.006	3.451	-1.534	-1.614	0.079	1.181	-1.179	-0.001
170	170	ASP	-1	-0.861	-0.940	2.329	-1.273	0.561	0.834	-0.811	-1.857	-0.006
171	171	ILE	0	-0.066	-0.021	3.369	-0.512	0.462	0.049	-0.156	-0.867	0.000
172	172	PHE	0	-0.023	-0.021	5.168	0.284	0.290	-0.001	-0.002	-0.002	0.000
391	385	G	0	-0.320	-0.287	2.317	-2.815	-1.418	0.539	-0.541	-1.395	-0.004
392	385	G	-1	-0.470	-0.576	2.920	-3.607	-2.333	0.073	-0.398	-0.950	-0.001
393	386	G	0	-0.361	-0.316	2.763	-8.571	-1.224	8.620	-2.525	-13.443	-0.016
394	386	G	-1	-0.537	-0.615	2.544	-1.988	-1.092	0.607	-0.412	-1.092	0.002
1	1	GLU	0	-0.104	-0.065	40.566	-0.003	-0.003	0.000	0.000	0.000	0.000
2	2	ILE	0	-0.013	-0.005	36.426	0.003	0.003	0.000	0.000	0.000	0.000
3	3	VAL	0	0.058	0.040	34.746	-0.001	-0.001	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.798	-0.897	37.310	-0.020	-0.020	0.000	0.000	0.000	0.000
5	5	SER	0	0.021	-0.020	37.891	-0.004	-0.004	0.000	0.000	0.000	0.000
6	6	PHE	0	0.039	-0.007	31.885	0.003	0.003	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.832	-0.894	35.797	-0.018	-0.018	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.857	-0.907	38.572	-0.006	-0.006	0.000	0.000	0.000	0.000
9	9	MET	0	-0.201	-0.107	32.865	0.003	0.003	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.044	-0.013	34.740	0.001	0.001	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.032	-0.012	30.893	0.002	0.002	0.000	0.000	0.000	0.000
12	12	SER	0	0.033	0.015	32.485	-0.002	-0.002	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.868	-0.944	34.462	-0.023	-0.023	0.000	0.000	0.000	0.000
14	14	SER	0	-0.006	-0.010	33.785	-0.004	-0.004	0.000	0.000	0.000	0.000
15	15	LEU	0	0.002	0.009	28.930	-0.008	-0.008	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.009	0.006	32.313	-0.006	-0.006	0.000	0.000	0.000	0.000
17	17	ARG	1	0.914	0.967	35.279	0.056	0.056	0.000	0.000	0.000	0.000
18	18	GLY	0	0.031	0.011	32.157	-0.004	-0.004	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.027	-0.021	31.101	-0.008	-0.008	0.000	0.000	0.000	0.000
20	20	TYR	0	0.021	-0.004	32.982	-0.004	-0.004	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.063	-0.031	34.605	-0.001	-0.001	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.035	-0.016	27.015	-0.011	-0.011	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.011	0.010	33.053	-0.004	-0.004	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.086	-0.037	28.692	-0.001	-0.001	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.884	-0.947	34.910	-0.050	-0.050	0.000	0.000	0.000	0.000
26	26	LYS	1	0.791	0.876	36.571	0.030	0.030	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.024	0.006	33.170	-0.004	-0.004	0.000	0.000	0.000	0.000
28	28	SER	0	0.014	-0.007	30.400	0.005	0.005	0.000	0.000	0.000	0.000
29	29	ALA	0	0.027	0.001	33.295	0.004	0.004	0.000	0.000	0.000	0.000
30	30	ILE	0	0.036	0.022	27.330	0.007	0.007	0.000	0.000	0.000	0.000
31	31	GLN	0	0.043	0.024	28.322	0.009	0.009	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.045	-0.038	30.370	0.003	0.003	0.000	0.000	0.000	0.000
33	33	ARG	1	0.849	0.913	31.277	0.011	0.011	0.000	0.000	0.000	0.000
34	34	ALA	0	0.024	0.020	26.145	0.007	0.007	0.000	0.000	0.000	0.000
35	35	ILE	0	0.051	0.032	26.973	0.006	0.006	0.000	0.000	0.000	0.000
36	36	LEU	0	0.020	0.016	27.980	0.006	0.006	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.020	-0.015	26.941	0.006	0.006	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.001	0.004	23.607	0.009	0.009	0.000	0.000	0.000	0.000
39	39	ILE	0	0.047	0.033	24.441	0.007	0.007	0.000	0.000	0.000	0.000
40	40	LYS	1	0.886	0.941	26.951	-0.025	-0.025	0.000	0.000	0.000	0.000
41	41	GLY	0	0.055	0.049	23.729	0.008	0.008	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.040	-0.019	23.757	0.016	0.016	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.713	-0.821	19.200	0.133	0.133	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.042	-0.033	20.426	-0.004	-0.004	0.000	0.000	0.000	0.000
45	45	ILE	0	0.018	0.012	19.308	-0.004	-0.004	0.000	0.000	0.000	0.000
46	46	ALA	0	-0.013	-0.020	21.481	-0.001	-0.001	0.000	0.000	0.000	0.000
47	47	GLN	0	0.000	0.003	22.590	-0.001	-0.001	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.023	-0.020	23.692	-0.001	-0.001	0.000	0.000	0.000	0.000
49	49	GLN	0	0.101	0.050	24.444	-0.020	-0.020	0.000	0.000	0.000	0.000
50	50	SER	0	0.020	0.020	26.636	-0.004	-0.004	0.000	0.000	0.000	0.000
51	51	GLY	0	0.027	0.016	27.828	0.008	0.008	0.000	0.000	0.000	0.000
52	52	THR	0	-0.073	-0.048	27.494	0.006	0.006	0.000	0.000	0.000	0.000
53	53	GLY	0	0.089	0.061	27.673	0.006	0.006	0.000	0.000	0.000	0.000
54	54	LYS	1	0.794	0.884	19.612	0.148	0.148	0.000	0.000	0.000	0.000
55	55	THR	0	0.028	0.004	20.958	0.007	0.007	0.000	0.000	0.000	0.000
56	56	ALA	0	0.046	0.021	22.778	0.004	0.004	0.000	0.000	0.000	0.000
57	57	THR	0	-0.030	-0.024	24.488	0.011	0.011	0.000	0.000	0.000	0.000
58	58	PHE	0	0.028	0.020	18.648	0.013	0.013	0.000	0.000	0.000	0.000
59	59	ALA	0	0.030	0.018	22.297	0.008	0.008	0.000	0.000	0.000	0.000
60	60	ILE	0	0.012	0.007	23.260	0.006	0.006	0.000	0.000	0.000	0.000
61	61	SER	0	-0.024	-0.035	23.516	0.011	0.011	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.011	0.009	18.681	0.013	0.013	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.007	-0.018	22.911	0.009	0.009	0.000	0.000	0.000	0.000
64	64	GLN	0	0.056	0.037	25.696	-0.003	-0.003	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.077	-0.048	23.640	0.015	0.015	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.062	-0.020	21.455	0.011	0.011	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.893	-0.940	25.318	0.009	0.009	0.000	0.000	0.000	0.000
68	68	LEU	0	0.046	0.009	26.713	-0.003	-0.003	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.863	-0.927	28.061	-0.022	-0.022	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.065	-0.023	23.211	0.003	0.003	0.000	0.000	0.000	0.000
71	71	LYS	1	0.862	0.929	24.042	0.036	0.036	0.000	0.000	0.000	0.000
72	72	ALA	0	0.022	-0.002	19.359	0.003	0.003	0.000	0.000	0.000	0.000
73	73	THR	0	-0.030	-0.008	15.791	-0.011	-0.011	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.032	-0.017	17.834	0.035	0.035	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.022	-0.007	17.489	0.026	0.026	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.004	-0.001	9.997	-0.029	-0.029	0.000	0.000	0.000	0.000
77	77	VAL	0	0.007	0.004	13.720	0.029	0.029	0.000	0.000	0.000	0.000
78	78	LEU	0	0.003	0.002	7.699	-0.041	-0.041	0.000	0.000	0.000	0.000
79	79	ALA	0	0.030	0.012	10.630	0.051	0.051	0.000	0.000	0.000	0.000
80	80	PRO	0	0.036	0.014	9.123	-0.102	-0.102	0.000	0.000	0.000	0.000
81	81	THR	0	0.000	0.017	9.243	-0.232	-0.232	0.000	0.000	0.000	0.000
82	82	ARG	1	0.888	0.905	7.671	1.839	1.839	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.778	-0.868	11.831	-0.562	-0.562	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.023	-0.002	14.452	0.066	0.066	0.000	0.000	0.000	0.000
85	85	ALA	0	0.006	0.005	12.332	0.056	0.056	0.000	0.000	0.000	0.000
86	86	GLN	0	0.047	0.006	14.476	0.090	0.090	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.023	0.013	17.134	0.033	0.033	0.000	0.000	0.000	0.000
88	88	ILE	0	-0.002	-0.009	15.813	0.036	0.036	0.000	0.000	0.000	0.000
89	89	GLN	0	0.049	0.019	18.007	0.026	0.026	0.000	0.000	0.000	0.000
90	90	LYS	1	0.942	0.973	19.665	0.181	0.181	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.006	0.003	22.478	0.019	0.019	0.000	0.000	0.000	0.000
92	92	VAL	0	0.020	0.000	20.088	0.018	0.018	0.000	0.000	0.000	0.000
93	93	MET	0	-0.005	0.016	22.746	0.017	0.017	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.049	-0.021	25.192	0.010	0.010	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.035	-0.015	25.784	0.011	0.011	0.000	0.000	0.000	0.000
96	96	GLY	0	0.027	0.000	27.095	0.011	0.011	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.943	-0.965	28.059	-0.102	-0.102	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.006	-0.019	30.524	0.004	0.004	0.000	0.000	0.000	0.000
99	99	MET	0	-0.060	-0.026	28.476	0.003	0.003	0.000	0.000	0.000	0.000
100	100	GLY	0	0.018	0.038	30.256	0.006	0.006	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.062	-0.029	25.687	0.003	0.003	0.000	0.000	0.000	0.000
102	102	SER	0	0.016	0.000	22.784	-0.016	-0.016	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.056	-0.029	18.559	0.012	0.012	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.006	-0.016	13.480	0.040	0.040	0.000	0.000	0.000	0.000
105	105	ALA	0	0.037	0.019	14.961	0.004	0.004	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.066	-0.014	9.758	-0.052	-0.052	0.000	0.000	0.000	0.000
107	107	ILE	0	0.010	0.002	9.565	-0.047	-0.047	0.000	0.000	0.000	0.000
108	108	GLY	0	0.014	0.007	8.040	0.004	0.004	0.000	0.000	0.000	0.000
109	109	GLY	0	0.019	0.003	8.694	0.163	0.163	0.000	0.000	0.000	0.000
110	110	THR	0	-0.009	0.009	11.209	0.117	0.117	0.000	0.000	0.000	0.000
111	111	ASN	0	0.034	0.009	11.717	-0.058	-0.058	0.000	0.000	0.000	0.000
112	112	VAL	0	0.095	0.043	7.972	0.057	0.057	0.000	0.000	0.000	0.000
113	113	ARG	1	0.905	0.952	10.567	0.516	0.516	0.000	0.000	0.000	0.000
114	114	ALA	0	0.049	0.013	13.663	0.044	0.044	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.789	-0.864	10.403	-0.671	-0.671	0.000	0.000	0.000	0.000
116	116	VAL	0	0.013	0.003	10.732	0.046	0.046	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.038	-0.022	13.865	0.046	0.046	0.000	0.000	0.000	0.000
118	118	LYS	1	0.920	0.960	17.478	0.242	0.242	0.000	0.000	0.000	0.000
119	119	LEU	0	0.024	0.011	12.694	0.027	0.027	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.023	-0.023	14.569	0.052	0.052	0.000	0.000	0.000	0.000
121	121	MET	0	-0.066	-0.012	18.249	0.018	0.018	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.938	-0.979	20.153	-0.154	-0.154	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.046	-0.008	19.913	0.016	0.016	0.000	0.000	0.000	0.000
124	124	PRO	0	-0.002	0.019	17.866	0.014	0.014	0.000	0.000	0.000	0.000
125	125	HIS	0	0.057	0.033	19.694	-0.001	-0.001	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.042	-0.022	17.893	0.022	0.022	0.000	0.000	0.000	0.000
127	127	ILE	0	-0.001	-0.004	12.053	-0.026	-0.026	0.000	0.000	0.000	0.000
128	128	VAL	0	0.010	0.006	13.872	0.035	0.035	0.000	0.000	0.000	0.000
129	129	GLY	0	0.009	-0.003	10.465	-0.040	-0.040	0.000	0.000	0.000	0.000
130	130	THR	0	-0.019	-0.025	6.694	0.173	0.173	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.008	-0.001	6.286	0.182	0.182	0.000	0.000	0.000	0.000
141	141	ARG	1	0.837	0.921	6.649	-0.692	-0.692	0.000	0.000	0.000	0.000
142	142	TYR	0	0.012	0.009	10.353	0.039	0.039	0.000	0.000	0.000	0.000
143	143	LEU	0	0.030	0.025	10.103	0.042	0.042	0.000	0.000	0.000	0.000
144	144	SER	0	-0.001	-0.023	11.308	0.099	0.099	0.000	0.000	0.000	0.000
145	145	PRO	0	0.049	0.008	12.104	-0.050	-0.050	0.000	0.000	0.000	0.000
146	146	LYS	1	0.873	0.950	15.130	-0.263	-0.263	0.000	0.000	0.000	0.000
147	147	TYR	0	0.020	0.005	17.059	-0.010	-0.010	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.025	0.011	13.142	-0.023	-0.023	0.000	0.000	0.000	0.000
149	149	LYS	1	0.906	0.955	17.048	-0.021	-0.021	0.000	0.000	0.000	0.000
150	150	MET	0	-0.034	-0.005	17.083	0.008	0.008	0.000	0.000	0.000	0.000
151	151	PHE	0	-0.001	-0.008	8.381	-0.019	-0.019	0.000	0.000	0.000	0.000
152	152	VAL	0	0.007	-0.002	14.113	0.013	0.013	0.000	0.000	0.000	0.000
153	153	LEU	0	0.018	0.009	10.729	-0.027	-0.027	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.790	-0.889	13.878	-0.133	-0.133	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.835	-0.922	14.198	-0.223	-0.223	0.000	0.000	0.000	0.000
156	156	ALA	0	-0.001	-0.016	13.693	-0.009	-0.009	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.761	-0.823	13.909	-0.072	-0.072	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.853	-0.913	12.139	-0.221	-0.221	0.000	0.000	0.000	0.000
159	159	MET	0	-0.061	-0.009	8.957	0.005	0.005	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.022	-0.021	10.042	0.153	0.153	0.000	0.000	0.000	0.000
161	161	SER	0	0.019	0.004	11.540	0.004	0.004	0.000	0.000	0.000	0.000
162	162	ARG	1	0.735	0.826	10.647	0.080	0.080	0.000	0.000	0.000	0.000
163	163	GLY	0	0.082	0.067	9.061	0.094	0.094	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.013	0.000	6.232	-0.058	-0.058	0.000	0.000	0.000	0.000
165	165	LYS	1	0.930	0.976	6.321	0.371	0.371	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.018	-0.009	5.613	-0.218	-0.218	0.000	0.000	0.000	0.000
173	173	GLN	0	0.005	0.007	7.506	0.136	0.136	0.000	0.000	0.000	0.000
174	174	LYS	1	0.888	0.964	6.271	-2.772	-2.772	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.026	-0.012	8.659	-0.076	-0.076	0.000	0.000	0.000	0.000
176	176	ASN	0	0.048	0.028	11.129	0.083	0.083	0.000	0.000	0.000	0.000
177	177	SER	0	0.062	0.043	14.583	-0.036	-0.036	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.098	-0.054	15.494	-0.041	-0.041	0.000	0.000	0.000	0.000
179	179	THR	0	-0.060	-0.037	14.114	-0.034	-0.034	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.052	-0.029	16.726	0.001	0.001	0.000	0.000	0.000	0.000
181	181	VAL	0	0.002	-0.010	14.008	-0.008	-0.008	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.025	-0.018	16.161	-0.008	-0.008	0.000	0.000	0.000	0.000
183	183	LEU	0	0.017	0.006	14.210	-0.007	-0.007	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.036	-0.011	17.483	0.001	0.001	0.000	0.000	0.000	0.000
185	185	SER	0	-0.012	-0.037	17.786	-0.021	-0.021	0.000	0.000	0.000	0.000
186	186	ALA	0	0.033	0.026	19.923	0.014	0.014	0.000	0.000	0.000	0.000
187	187	THR	0	-0.008	-0.016	20.000	0.004	0.004	0.000	0.000	0.000	0.000
188	188	MET	0	-0.025	-0.026	18.749	0.006	0.006	0.000	0.000	0.000	0.000
189	189	PRO	0	0.055	0.037	19.413	0.011	0.011	0.000	0.000	0.000	0.000
190	190	SER	0	-0.029	-0.021	21.016	0.013	0.013	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.847	-0.915	18.946	0.035	0.035	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.003	-0.007	15.693	0.021	0.021	0.000	0.000	0.000	0.000
193	193	LEU	0	0.007	-0.013	17.091	0.019	0.019	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.856	-0.889	18.135	0.139	0.139	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.036	-0.024	12.171	0.023	0.023	0.000	0.000	0.000	0.000
196	196	THR	0	0.000	-0.025	14.289	0.025	0.025	0.000	0.000	0.000	0.000
197	197	LYS	1	0.869	0.928	16.156	-0.136	-0.136	0.000	0.000	0.000	0.000
198	198	LYS	1	0.878	0.951	11.547	-0.227	-0.227	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.049	-0.011	9.109	0.031	0.031	0.000	0.000	0.000	0.000
200	200	MET	0	-0.052	-0.001	14.502	-0.001	-0.001	0.000	0.000	0.000	0.000
201	201	ARG	1	0.815	0.865	17.878	-0.134	-0.134	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.934	-0.964	21.313	0.085	0.085	0.000	0.000	0.000	0.000
203	203	PRO	0	0.029	0.035	20.258	-0.009	-0.009	0.000	0.000	0.000	0.000
204	204	ILE	0	0.010	0.001	23.091	-0.006	-0.006	0.000	0.000	0.000	0.000
205	205	ARG	1	0.876	0.934	23.623	-0.076	-0.076	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.013	0.003	25.576	-0.003	-0.003	0.000	0.000	0.000	0.000
207	207	LEU	0	0.000	-0.008	24.700	-0.004	-0.004	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.001	-0.004	27.751	-0.001	-0.001	0.000	0.000	0.000	0.000
209	209	LYS	1	0.968	0.991	29.019	0.016	0.016	0.000	0.000	0.000	0.000
210	210	LYS	1	0.950	0.971	28.617	0.027	0.027	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.943	-0.979	29.796	-0.036	-0.036	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.938	-0.965	31.314	-0.040	-0.040	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.097	-0.046	25.805	-0.004	-0.004	0.000	0.000	0.000	0.000
214	214	THR	0	-0.001	0.005	28.962	-0.009	-0.009	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.011	-0.003	28.004	0.001	0.001	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.886	-0.944	32.259	-0.072	-0.072	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.011	0.004	34.981	0.002	0.002	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.085	-0.039	30.123	-0.003	-0.003	0.000	0.000	0.000	0.000
219	219	ARG	1	0.771	0.874	34.401	0.092	0.092	0.000	0.000	0.000	0.000
220	220	GLN	0	0.044	0.027	32.437	-0.012	-0.012	0.000	0.000	0.000	0.000
221	221	PHE	0	0.053	0.013	34.973	0.006	0.006	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.026	-0.015	34.527	-0.008	-0.008	0.000	0.000	0.000	0.000
223	223	ILE	0	0.063	0.029	35.732	0.004	0.004	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.005	-0.016	36.335	-0.007	-0.007	0.000	0.000	0.000	0.000
225	225	VAL	0	0.011	0.002	34.896	0.002	0.002	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.826	-0.884	37.856	-0.063	-0.063	0.000	0.000	0.000	0.000
227	227	ARG	1	0.913	0.948	36.552	0.084	0.084	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.707	-0.851	29.888	-0.145	-0.145	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.967	-0.996	33.812	-0.105	-0.105	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.005	-0.001	35.917	-0.001	-0.001	0.000	0.000	0.000	0.000
231	231	LYS	1	0.807	0.905	28.531	0.145	0.145	0.000	0.000	0.000	0.000
232	232	LEU	0	0.013	-0.001	33.102	-0.004	-0.004	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.903	-0.958	34.905	-0.104	-0.104	0.000	0.000	0.000	0.000
234	234	THR	0	-0.016	0.002	36.535	0.004	0.004	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.038	-0.025	31.465	0.000	0.000	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.079	-0.058	35.608	-0.004	-0.004	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.871	-0.913	38.098	-0.092	-0.092	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.032	-0.024	34.827	0.001	0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	0.037	0.017	33.995	-0.008	-0.008	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.889	-0.927	37.797	-0.100	-0.100	0.000	0.000	0.000	0.000
241	241	THR	0	-0.081	-0.056	37.339	0.000	0.000	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.048	-0.031	32.740	-0.003	-0.003	0.000	0.000	0.000	0.000
243	243	THR	0	-0.023	-0.003	35.781	-0.006	-0.006	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.046	-0.026	38.617	0.001	0.001	0.000	0.000	0.000	0.000
245	245	THR	0	-0.070	-0.022	35.236	-0.001	-0.001	0.000	0.000	0.000	0.000
246	246	GLN	0	0.004	0.012	28.816	0.006	0.006	0.000	0.000	0.000	0.000
247	247	ALA	0	0.000	-0.016	30.040	0.003	0.003	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.017	-0.001	23.441	-0.011	-0.011	0.000	0.000	0.000	0.000
249	249	ILE	0	-0.002	-0.007	25.857	0.015	0.015	0.000	0.000	0.000	0.000
250	250	PHE	0	0.017	0.010	20.133	-0.017	-0.017	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.051	-0.020	22.113	0.024	0.024	0.000	0.000	0.000	0.000
252	252	ASN	0	0.021	-0.010	20.320	-0.035	-0.035	0.000	0.000	0.000	0.000
253	253	THR	0	0.000	0.004	18.714	-0.009	-0.009	0.000	0.000	0.000	0.000
254	254	ARG	1	0.961	0.959	11.090	0.882	0.882	0.000	0.000	0.000	0.000
255	255	ARG	1	0.951	0.980	18.878	0.283	0.283	0.000	0.000	0.000	0.000
256	256	LYS	1	0.815	0.877	21.870	0.191	0.191	0.000	0.000	0.000	0.000
257	257	VAL	0	0.042	0.031	20.546	0.018	0.018	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.872	-0.916	21.537	-0.351	-0.351	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.078	-0.041	24.018	0.018	0.018	0.000	0.000	0.000	0.000
260	260	LEU	0	0.007	-0.005	26.783	0.013	0.013	0.000	0.000	0.000	0.000
261	261	THR	0	-0.019	-0.034	25.363	0.007	0.007	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.853	-0.911	28.012	-0.158	-0.158	0.000	0.000	0.000	0.000
263	263	LYS	1	0.856	0.920	30.252	0.172	0.172	0.000	0.000	0.000	0.000
264	264	MET	0	-0.042	-0.024	31.031	0.014	0.014	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.038	-0.024	28.795	0.005	0.005	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.022	0.003	33.721	0.007	0.007	0.000	0.000	0.000	0.000
267	267	ARG	1	0.865	0.932	36.033	0.130	0.130	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.897	-0.938	37.476	-0.120	-0.120	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.023	-0.005	34.917	-0.001	-0.001	0.000	0.000	0.000	0.000
270	270	THR	0	-0.014	-0.016	34.262	-0.005	-0.005	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.043	-0.011	29.575	-0.006	-0.006	0.000	0.000	0.000	0.000
272	272	SER	0	0.033	0.012	26.155	-0.011	-0.011	0.000	0.000	0.000	0.000
273	273	ALA	0	0.011	-0.004	24.242	0.009	0.009	0.000	0.000	0.000	0.000
274	274	MET	0	-0.032	-0.008	17.684	-0.003	-0.003	0.000	0.000	0.000	0.000
275	275	HIS	0	0.011	-0.010	16.893	-0.039	-0.039	0.000	0.000	0.000	0.000
276	276	GLY	0	0.021	-0.015	12.809	-0.022	-0.022	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.032	-1.009	12.547	-0.884	-0.884	0.000	0.000	0.000	0.000
278	278	MET	0	-0.028	0.018	14.474	0.041	0.041	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.864	-0.930	14.580	-0.744	-0.744	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.045	-0.049	13.183	-0.059	-0.059	0.000	0.000	0.000	0.000
281	281	LYS	1	0.908	0.945	15.525	0.429	0.429	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.874	-0.928	18.699	-0.355	-0.355	0.000	0.000	0.000	0.000
283	283	ARG	1	0.789	0.856	11.431	0.983	0.983	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.928	-0.960	18.403	-0.366	-0.366	0.000	0.000	0.000	0.000
285	285	VAL	0	0.005	0.003	19.673	0.043	0.043	0.000	0.000	0.000	0.000
286	286	ILE	0	-0.001	0.005	20.894	0.031	0.031	0.000	0.000	0.000	0.000
287	287	MET	0	0.029	0.011	19.439	0.035	0.035	0.000	0.000	0.000	0.000
288	288	ARG	1	0.872	0.944	22.488	0.303	0.303	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.814	-0.900	25.068	-0.196	-0.196	0.000	0.000	0.000	0.000
290	290	PHE	0	0.003	0.017	24.844	0.017	0.017	0.000	0.000	0.000	0.000
291	291	ARG	1	0.790	0.871	21.415	0.282	0.282	0.000	0.000	0.000	0.000
292	292	SER	0	-0.063	-0.030	27.786	0.019	0.019	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.021	-0.001	30.344	0.012	0.012	0.000	0.000	0.000	0.000
294	294	SER	0	-0.055	-0.051	30.920	0.009	0.009	0.000	0.000	0.000	0.000
295	295	SER	0	0.010	0.013	27.745	0.006	0.006	0.000	0.000	0.000	0.000
296	296	ARG	1	0.902	0.932	30.706	0.153	0.153	0.000	0.000	0.000	0.000
297	297	VAL	0	0.063	0.031	29.916	0.003	0.003	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.013	0.005	22.595	-0.008	-0.008	0.000	0.000	0.000	0.000
299	299	ILE	0	0.018	0.008	24.431	0.002	0.002	0.000	0.000	0.000	0.000
300	300	THR	0	-0.021	-0.033	19.424	-0.040	-0.040	0.000	0.000	0.000	0.000
301	301	THR	0	0.031	0.000	16.038	0.036	0.036	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.789	-0.896	15.919	-0.282	-0.282	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.039	0.004	12.997	-0.001	-0.001	0.000	0.000	0.000	0.000
304	304	LEU	0	0.009	-0.010	15.339	-0.014	-0.014	0.000	0.000	0.000	0.000
305	305	ALA	0	0.008	0.006	17.765	0.042	0.042	0.000	0.000	0.000	0.000
306	306	ARG	1	0.781	0.865	14.951	0.222	0.222	0.000	0.000	0.000	0.000
307	307	GLY	0	0.047	0.021	17.676	-0.028	-0.028	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.033	-0.016	17.552	0.020	0.020	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.845	-0.905	20.898	-0.145	-0.145	0.000	0.000	0.000	0.000
310	310	VAL	0	0.014	0.000	24.406	-0.006	-0.006	0.000	0.000	0.000	0.000
311	311	GLN	0	0.036	0.018	26.992	0.013	0.013	0.000	0.000	0.000	0.000
312	312	GLN	0	0.000	-0.006	30.690	0.011	0.011	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.026	0.019	26.994	0.003	0.003	0.000	0.000	0.000	0.000
314	314	SER	0	-0.040	-0.008	30.338	0.008	0.008	0.000	0.000	0.000	0.000
315	315	LEU	0	0.056	0.026	32.187	0.004	0.004	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.032	-0.012	26.064	-0.013	-0.013	0.000	0.000	0.000	0.000
317	317	ILE	0	0.017	0.001	28.331	0.012	0.012	0.000	0.000	0.000	0.000
318	318	ASN	0	0.000	0.000	25.598	-0.031	-0.031	0.000	0.000	0.000	0.000
319	319	TYR	0	0.057	0.023	27.266	0.013	0.013	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.763	-0.856	24.428	-0.180	-0.180	0.000	0.000	0.000	0.000
321	321	LEU	0	0.021	0.008	25.553	-0.008	-0.008	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.023	0.025	22.279	-0.003	-0.003	0.000	0.000	0.000	0.000
323	323	THR	0	0.018	-0.011	22.008	0.017	0.017	0.000	0.000	0.000	0.000
324	324	ASN	0	0.028	0.019	18.939	0.011	0.011	0.000	0.000	0.000	0.000
325	325	ARG	1	1.010	0.996	21.921	0.063	0.063	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.872	-0.926	20.690	-0.061	-0.061	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.044	-0.030	18.209	-0.002	-0.002	0.000	0.000	0.000	0.000
328	328	TYR	0	0.020	-0.007	20.909	-0.016	-0.016	0.000	0.000	0.000	0.000
329	329	ILE	0	0.004	0.011	24.182	-0.006	-0.006	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.055	-0.032	19.989	-0.018	-0.018	0.000	0.000	0.000	0.000
331	331	ARG	1	0.842	0.908	20.214	0.216	0.216	0.000	0.000	0.000	0.000
332	332	ILE	0	0.036	0.009	23.220	-0.002	-0.002	0.000	0.000	0.000	0.000
333	333	GLY	0	0.004	0.014	25.124	0.006	0.006	0.000	0.000	0.000	0.000
334	334	ARG	1	0.758	0.869	21.546	0.212	0.212	0.000	0.000	0.000	0.000
335	335	GLY	0	0.014	0.017	25.537	-0.001	-0.001	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.003	-0.007	29.375	0.003	0.003	0.000	0.000	0.000	0.000
337	337	ARG	1	0.791	0.902	26.371	0.159	0.159	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.020	-0.031	30.089	0.008	0.008	0.000	0.000	0.000	0.000
339	339	GLY	0	0.007	0.004	32.008	0.005	0.005	0.000	0.000	0.000	0.000
340	340	ARG	1	0.842	0.926	34.134	0.122	0.122	0.000	0.000	0.000	0.000
341	341	LYS	1	1.011	1.005	34.568	0.074	0.074	0.000	0.000	0.000	0.000
342	342	GLY	0	0.065	0.026	33.002	-0.006	-0.006	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.062	-0.015	33.361	0.009	0.009	0.000	0.000	0.000	0.000
344	344	ALA	0	0.044	0.018	30.708	-0.010	-0.010	0.000	0.000	0.000	0.000
345	345	ILE	0	0.013	0.014	31.546	0.009	0.009	0.000	0.000	0.000	0.000
346	346	ASN	0	0.006	-0.001	29.915	-0.018	-0.018	0.000	0.000	0.000	0.000
347	347	MET	0	-0.017	-0.004	31.134	0.004	0.004	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.004	-0.003	31.773	-0.004	-0.004	0.000	0.000	0.000	0.000
349	349	THR	0	-0.017	-0.023	32.343	0.006	0.006	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.845	-0.937	34.784	-0.058	-0.058	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.933	-0.966	32.248	-0.063	-0.063	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.901	-0.913	29.942	-0.110	-0.110	0.000	0.000	0.000	0.000
353	353	LYS	1	0.770	0.873	32.025	0.065	0.065	0.000	0.000	0.000	0.000
354	354	ARG	1	0.832	0.904	32.164	0.052	0.052	0.000	0.000	0.000	0.000
355	355	THR	0	0.030	0.005	27.455	0.006	0.006	0.000	0.000	0.000	0.000
356	356	LEU	0	0.037	0.023	30.376	-0.001	-0.001	0.000	0.000	0.000	0.000
357	357	ARG	1	0.882	0.941	32.400	0.049	0.049	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.822	-0.903	30.553	-0.044	-0.044	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.046	-0.010	27.859	0.002	0.002	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.794	-0.888	30.693	-0.053	-0.053	0.000	0.000	0.000	0.000
361	361	THR	0	-0.084	-0.060	34.332	0.005	0.005	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.014	0.006	26.348	0.008	0.008	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.069	-0.078	25.914	0.006	0.006	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.049	-0.010	32.622	0.001	0.001	0.000	0.000	0.000	0.000
365	365	THR	0	-0.028	-0.002	33.576	0.000	0.000	0.000	0.000	0.000	0.000
366	366	SER	0	-0.047	-0.052	36.723	0.001	0.001	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.076	-0.039	32.800	-0.004	-0.004	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.848	-0.897	37.320	-0.053	-0.053	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.966	-0.993	39.195	-0.069	-0.069	0.000	0.000	0.000	0.000
370	370	MET	0	-0.048	-0.011	38.818	-0.001	-0.001	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.018	-0.006	40.690	0.003	0.003	0.000	0.000	0.000	0.000
372	372	LEU	0	0.023	0.007	43.334	-0.003	-0.003	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.026	-0.021	45.632	-0.004	-0.004	0.000	0.000	0.000	0.000
374	374	VAL	0	0.024	0.009	39.226	0.001	0.001	0.000	0.000	0.000	0.000
375	375	ALA	0	0.015	-0.007	41.576	-0.003	-0.003	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.969	-0.977	42.853	-0.068	-0.068	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.084	-0.015	39.737	0.002	0.002	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.857	-0.912	38.076	-0.087	-0.087	0.000	0.000	0.000	0.000
379	379	A	0	-0.364	-0.298	19.440	-0.014	-0.014	0.000	0.000	0.000	0.000
380	379	A	-1	-0.517	-0.621	14.389	0.101	0.101	0.000	0.000	0.000	0.000
381	380	G	0	-0.376	-0.320	17.736	-0.001	-0.001	0.000	0.000	0.000	0.000
382	380	G	-1	-0.493	-0.608	15.795	-0.032	-0.032	0.000	0.000	0.000	0.000
383	381	A	0	-0.379	-0.319	16.272	-0.009	-0.009	0.000	0.000	0.000	0.000
384	381	A	-1	-0.593	-0.668	17.085	-0.183	-0.183	0.000	0.000	0.000	0.000
385	382	G	0	-0.358	-0.309	12.754	0.050	0.050	0.000	0.000	0.000	0.000
386	382	G	-1	-0.550	-0.668	15.446	-0.392	-0.392	0.000	0.000	0.000	0.000
387	383	A	0	-0.322	-0.292	8.835	-0.023	-0.023	0.000	0.000	0.000	0.000
388	383	A	-1	-0.456	-0.574	11.458	-0.661	-0.661	0.000	0.000	0.000	0.000
389	384	G	0	-0.382	-0.326	5.877	-0.378	-0.378	0.000	0.000	0.000	0.000
390	384	G	-1	-0.482	-0.598	7.568	-1.099	-1.099	0.000	0.000	0.000	0.000
395	387	G	0	-0.334	-0.279	5.580	0.118	0.118	0.000	0.000	0.000	0.000
396	387	G	-1	-0.650	-0.725	5.490	-0.899	-0.899	0.000	0.000	0.000	0.000
397	388	G	0	-0.368	-0.301	8.697	0.062	0.062	0.000	0.000	0.000	0.000
398	388	G	0	0.287	0.234	8.740	0.080	0.080	0.000	0.000	0.000	0.000

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