FMO DATABASE

FMODB ID: 39LVL

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

Total energy (hartree)

FMO2-HF: Electronic energy	-7637687.330336
FMO2-HF: Nuclear repulsion	7468483.268465
FMO2-HF: Total energy	-169204.061871
FMO2-MP2: Total energy	-169681.820782

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.
-268.804542	-220.217852	41.448344	-19.296883	-70.738151	0.057861

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.
-51.02	-17.555	31.587	-14.308	-50.746	-0.047

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 : -0.077 / q_NPA : -0.023

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	0.019	0.000	3.463	-0.758	0.101	0.105	-0.205	-0.759	0.000
132	132	GLY	0	0.026	0.020	2.666	-3.058	-0.174	4.078	-3.104	-3.858	-0.006
133	133	ARG	1	0.830	0.884	2.718	-1.036	-0.710	0.517	1.234	-2.077	-0.016
134	134	VAL	0	0.043	0.017	5.299	-0.162	0.002	-0.001	-0.011	-0.152	0.000
135	135	PHE	0	0.020	0.007	2.474	-10.344	-3.421	9.582	-3.899	-12.607	-0.001
136	136	ASP	-1	-0.793	-0.861	2.835	-4.368	-2.012	0.273	-0.892	-1.736	-0.003
137	137	MET	0	-0.033	-0.022	3.541	0.620	0.831	0.016	0.055	-0.282	0.000
139	139	ASN	0	-0.087	-0.032	2.550	-0.444	0.551	1.197	-0.558	-1.634	-0.003
140	140	ARG	1	0.804	0.885	4.961	0.793	0.913	-0.001	-0.004	-0.114	0.000
167	167	GLN	0	-0.021	-0.014	2.636	-6.624	-2.835	4.795	-2.276	-6.309	0.002
168	168	ILE	0	0.012	-0.004	3.530	-2.329	-1.763	0.042	0.237	-0.845	-0.001
170	170	ASP	-1	-0.886	-0.933	2.897	-2.034	-0.823	0.181	-0.310	-1.082	-0.001
171	171	ILE	0	-0.074	-0.039	2.961	-0.826	0.340	0.142	-0.203	-1.105	-0.001
172	172	PHE	0	-0.042	-0.028	4.981	0.449	0.463	-0.001	-0.004	-0.009	0.000
174	174	LYS	1	0.915	0.967	4.722	-2.360	-2.200	-0.001	-0.001	-0.159	0.000
391	385	A	-1	-0.449	-0.593	2.868	-3.274	-1.875	0.093	-0.455	-1.038	-0.002
392	385	A	0	-0.324	-0.281	2.757	-2.781	-1.596	0.224	-0.397	-1.011	-0.003
393	386	G	-1	-0.564	-0.663	2.850	-1.516	-0.615	0.233	-0.266	-0.867	0.002
394	386	G	0	-0.366	-0.312	2.800	-9.364	-1.272	10.114	-3.244	-14.963	-0.014
398	388	G	0	-0.373	-0.290	5.277	-0.395	-0.251	-0.001	-0.005	-0.139	0.000
1	1	GLU	0	-0.092	-0.056	32.195	0.013	0.013	0.000	0.000	0.000	0.000
2	2	ILE	0	-0.004	-0.018	32.862	-0.006	-0.006	0.000	0.000	0.000	0.000
3	3	VAL	0	0.072	0.036	33.965	0.004	0.004	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.908	-0.942	35.698	-0.054	-0.054	0.000	0.000	0.000	0.000
5	5	SER	0	0.015	0.000	37.682	-0.003	-0.003	0.000	0.000	0.000	0.000
6	6	PHE	0	0.028	-0.015	32.709	0.001	0.001	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.881	-0.930	36.160	-0.049	-0.049	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.924	-0.951	38.393	-0.040	-0.040	0.000	0.000	0.000	0.000
9	9	MET	0	-0.168	-0.086	32.870	-0.001	-0.001	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.066	-0.018	33.906	0.003	0.003	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.013	-0.010	31.101	0.000	0.000	0.000	0.000	0.000	0.000
12	12	SER	0	0.049	0.026	33.508	0.001	0.001	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.876	-0.956	35.138	-0.056	-0.056	0.000	0.000	0.000	0.000
14	14	SER	0	-0.034	-0.022	33.631	-0.002	-0.002	0.000	0.000	0.000	0.000
15	15	LEU	0	0.029	0.019	28.856	-0.007	-0.007	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.001	0.001	32.231	-0.007	-0.007	0.000	0.000	0.000	0.000
17	17	ARG	1	0.918	0.960	35.071	0.060	0.060	0.000	0.000	0.000	0.000
18	18	GLY	0	0.055	0.042	31.505	-0.003	-0.003	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.029	-0.019	31.163	-0.007	-0.007	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.039	-0.034	32.661	-0.003	-0.003	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.010	0.008	33.603	-0.001	-0.001	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.040	-0.024	26.816	-0.009	-0.009	0.000	0.000	0.000	0.000
23	23	GLY	0	0.008	0.018	31.691	-0.004	-0.004	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.064	-0.038	28.758	-0.004	-0.004	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.895	-0.946	32.467	-0.085	-0.085	0.000	0.000	0.000	0.000
26	26	LYS	1	0.918	0.952	33.464	0.065	0.065	0.000	0.000	0.000	0.000
27	27	PRO	0	0.052	0.044	31.160	-0.002	-0.002	0.000	0.000	0.000	0.000
28	28	SER	0	0.043	0.019	31.605	0.006	0.006	0.000	0.000	0.000	0.000
29	29	ALA	0	0.057	0.018	32.628	-0.001	-0.001	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.036	-0.025	28.224	0.003	0.003	0.000	0.000	0.000	0.000
31	31	GLN	0	0.015	-0.003	27.737	0.003	0.003	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.009	-0.013	29.242	0.004	0.004	0.000	0.000	0.000	0.000
33	33	ARG	1	0.899	0.943	30.661	0.073	0.073	0.000	0.000	0.000	0.000
34	34	ALA	0	-0.016	0.000	25.416	0.004	0.004	0.000	0.000	0.000	0.000
35	35	ILE	0	0.053	0.024	26.401	0.001	0.001	0.000	0.000	0.000	0.000
36	36	LEU	0	0.032	0.023	27.616	0.003	0.003	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.033	-0.025	26.433	0.006	0.006	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.010	0.005	21.810	0.001	0.001	0.000	0.000	0.000	0.000
39	39	ILE	0	0.061	0.033	24.280	0.002	0.002	0.000	0.000	0.000	0.000
40	40	LYS	1	0.869	0.940	26.943	0.036	0.036	0.000	0.000	0.000	0.000
41	41	GLY	0	0.041	0.031	23.368	0.009	0.009	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.024	-0.012	22.603	0.006	0.006	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.706	-0.828	19.239	-0.048	-0.048	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.038	-0.022	20.209	0.006	0.006	0.000	0.000	0.000	0.000
45	45	ILE	0	0.002	0.013	19.952	-0.014	-0.014	0.000	0.000	0.000	0.000
46	46	ALA	0	0.018	-0.007	21.697	0.013	0.013	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.006	0.013	22.752	-0.004	-0.004	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.016	-0.017	23.930	0.006	0.006	0.000	0.000	0.000	0.000
49	49	GLN	0	0.029	-0.007	24.170	-0.018	-0.018	0.000	0.000	0.000	0.000
50	50	SER	0	0.036	0.012	24.676	-0.008	-0.008	0.000	0.000	0.000	0.000
51	51	GLY	0	0.041	0.023	25.041	0.008	0.008	0.000	0.000	0.000	0.000
52	52	THR	0	-0.041	-0.020	26.817	0.008	0.008	0.000	0.000	0.000	0.000
53	53	GLY	0	0.071	0.052	26.580	0.009	0.009	0.000	0.000	0.000	0.000
54	54	LYS	1	0.787	0.887	19.404	0.259	0.259	0.000	0.000	0.000	0.000
55	55	THR	0	0.047	0.013	20.302	-0.006	-0.006	0.000	0.000	0.000	0.000
56	56	ALA	0	0.039	0.018	22.032	0.004	0.004	0.000	0.000	0.000	0.000
57	57	THR	0	-0.016	-0.006	24.165	0.013	0.013	0.000	0.000	0.000	0.000
58	58	PHE	0	0.049	0.031	18.008	0.013	0.013	0.000	0.000	0.000	0.000
59	59	ALA	0	0.003	0.001	22.070	0.008	0.008	0.000	0.000	0.000	0.000
60	60	ILE	0	0.024	0.013	22.877	0.009	0.009	0.000	0.000	0.000	0.000
61	61	SER	0	-0.031	-0.035	23.540	0.013	0.013	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.019	-0.003	18.944	0.009	0.009	0.000	0.000	0.000	0.000
63	63	LEU	0	0.008	-0.004	22.959	0.011	0.011	0.000	0.000	0.000	0.000
64	64	GLN	0	0.020	0.017	25.612	0.005	0.005	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.091	-0.051	23.744	0.017	0.017	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.038	-0.006	21.474	0.005	0.005	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.878	-0.930	24.969	-0.019	-0.019	0.000	0.000	0.000	0.000
68	68	LEU	0	0.047	0.014	26.292	-0.001	-0.001	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.872	-0.921	27.669	-0.035	-0.035	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.077	-0.023	22.261	0.008	0.008	0.000	0.000	0.000	0.000
71	71	LYS	1	0.852	0.912	23.727	0.049	0.049	0.000	0.000	0.000	0.000
72	72	ALA	0	0.018	0.001	18.994	0.008	0.008	0.000	0.000	0.000	0.000
73	73	THR	0	-0.028	-0.017	15.081	-0.011	-0.011	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.055	-0.046	17.517	0.021	0.021	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.016	-0.004	16.853	0.011	0.011	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.010	0.006	9.217	-0.019	-0.019	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.007	-0.001	13.465	0.016	0.016	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.017	-0.011	7.267	-0.049	-0.049	0.000	0.000	0.000	0.000
79	79	ALA	0	0.027	-0.002	10.235	0.075	0.075	0.000	0.000	0.000	0.000
80	80	PRO	0	0.041	0.015	8.974	-0.120	-0.120	0.000	0.000	0.000	0.000
81	81	THR	0	0.015	0.010	8.724	-0.213	-0.213	0.000	0.000	0.000	0.000
82	82	ARG	1	0.869	0.892	7.987	1.446	1.446	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.760	-0.865	11.742	-0.520	-0.520	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.003	0.011	14.108	0.060	0.060	0.000	0.000	0.000	0.000
85	85	ALA	0	-0.002	-0.004	12.074	0.053	0.053	0.000	0.000	0.000	0.000
86	86	GLN	0	0.043	0.013	14.248	0.083	0.083	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.040	-0.007	17.140	0.045	0.045	0.000	0.000	0.000	0.000
88	88	ILE	0	0.048	0.024	15.628	0.030	0.030	0.000	0.000	0.000	0.000
89	89	GLN	0	0.032	0.021	17.951	0.024	0.024	0.000	0.000	0.000	0.000
90	90	LYS	1	0.827	0.900	19.701	0.307	0.307	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.001	0.009	22.528	0.019	0.019	0.000	0.000	0.000	0.000
92	92	VAL	0	0.001	-0.011	19.615	0.016	0.016	0.000	0.000	0.000	0.000
93	93	MET	0	-0.028	-0.009	22.718	0.017	0.017	0.000	0.000	0.000	0.000
94	94	ALA	0	0.010	0.016	25.018	0.013	0.013	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.036	-0.014	25.512	0.012	0.012	0.000	0.000	0.000	0.000
96	96	GLY	0	0.031	0.003	26.793	0.011	0.011	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.938	-0.957	27.750	-0.109	-0.109	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.029	-0.033	30.331	0.008	0.008	0.000	0.000	0.000	0.000
99	99	MET	0	-0.057	-0.020	29.156	0.004	0.004	0.000	0.000	0.000	0.000
100	100	GLY	0	0.004	0.020	29.811	0.006	0.006	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.057	-0.018	24.872	0.000	0.000	0.000	0.000	0.000	0.000
102	102	SER	0	0.005	0.011	22.499	-0.013	-0.013	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.051	-0.043	18.393	-0.011	-0.011	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.020	-0.032	14.358	0.037	0.037	0.000	0.000	0.000	0.000
105	105	ALA	0	0.038	0.027	14.742	-0.009	-0.009	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.061	-0.002	10.148	0.009	0.009	0.000	0.000	0.000	0.000
107	107	ILE	0	0.024	0.007	9.764	-0.068	-0.068	0.000	0.000	0.000	0.000
108	108	GLY	0	0.027	0.024	8.088	0.072	0.072	0.000	0.000	0.000	0.000
109	109	GLY	0	-0.002	-0.006	8.623	0.063	0.063	0.000	0.000	0.000	0.000
110	110	THR	0	-0.047	-0.025	11.206	0.136	0.136	0.000	0.000	0.000	0.000
111	111	ASN	0	0.026	-0.007	11.446	-0.033	-0.033	0.000	0.000	0.000	0.000
112	112	VAL	0	0.101	0.054	7.728	0.024	0.024	0.000	0.000	0.000	0.000
113	113	ARG	1	0.936	0.966	11.203	0.183	0.183	0.000	0.000	0.000	0.000
114	114	ALA	0	-0.019	-0.017	13.465	0.028	0.028	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.747	-0.843	10.708	-0.506	-0.506	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.025	-0.033	10.148	0.026	0.026	0.000	0.000	0.000	0.000
117	117	GLN	0	0.017	0.026	13.068	0.041	0.041	0.000	0.000	0.000	0.000
118	118	LYS	1	0.918	0.963	16.464	0.275	0.275	0.000	0.000	0.000	0.000
119	119	LEU	0	-0.001	-0.011	11.650	0.015	0.015	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.047	-0.018	15.938	0.018	0.018	0.000	0.000	0.000	0.000
121	121	MET	0	-0.084	-0.044	17.646	0.023	0.023	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.942	-0.972	20.145	-0.120	-0.120	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.055	-0.007	18.446	0.006	0.006	0.000	0.000	0.000	0.000
124	124	PRO	0	-0.003	-0.002	17.178	0.007	0.007	0.000	0.000	0.000	0.000
125	125	HIS	0	0.084	0.053	18.786	-0.018	-0.018	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.006	-0.001	17.866	0.005	0.005	0.000	0.000	0.000	0.000
127	127	ILE	0	0.015	0.002	12.094	-0.014	-0.014	0.000	0.000	0.000	0.000
128	128	VAL	0	0.021	0.006	13.630	0.007	0.007	0.000	0.000	0.000	0.000
129	129	GLY	0	0.026	0.003	10.391	0.001	0.001	0.000	0.000	0.000	0.000
130	130	THR	0	-0.019	-0.016	6.418	0.148	0.148	0.000	0.000	0.000	0.000
138	138	LEU	0	0.014	0.016	6.337	0.210	0.210	0.000	0.000	0.000	0.000
141	141	ARG	1	0.909	0.951	7.459	-0.265	-0.265	0.000	0.000	0.000	0.000
142	142	TYR	0	0.006	0.003	10.138	0.019	0.019	0.000	0.000	0.000	0.000
143	143	LEU	0	0.016	0.037	9.110	-0.005	-0.005	0.000	0.000	0.000	0.000
144	144	SER	0	0.006	-0.017	11.065	0.083	0.083	0.000	0.000	0.000	0.000
145	145	PRO	0	0.031	-0.002	12.175	-0.037	-0.037	0.000	0.000	0.000	0.000
146	146	LYS	1	0.866	0.948	14.659	-0.144	-0.144	0.000	0.000	0.000	0.000
147	147	TYR	0	0.012	0.006	17.131	0.005	0.005	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.013	0.005	12.348	-0.016	-0.016	0.000	0.000	0.000	0.000
149	149	LYS	1	0.922	0.963	16.238	0.067	0.067	0.000	0.000	0.000	0.000
150	150	MET	0	-0.047	-0.011	16.707	0.008	0.008	0.000	0.000	0.000	0.000
151	151	PHE	0	0.010	-0.008	8.096	-0.025	-0.025	0.000	0.000	0.000	0.000
152	152	VAL	0	-0.004	-0.007	13.630	0.022	0.022	0.000	0.000	0.000	0.000
153	153	LEU	0	0.007	0.006	10.492	-0.044	-0.044	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.777	-0.875	13.651	-0.243	-0.243	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.856	-0.944	13.989	-0.355	-0.355	0.000	0.000	0.000	0.000
156	156	ALA	0	0.003	-0.009	13.923	-0.020	-0.020	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.766	-0.827	14.160	-0.247	-0.247	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.869	-0.930	11.839	-0.427	-0.427	0.000	0.000	0.000	0.000
159	159	MET	0	-0.065	-0.002	7.534	-0.045	-0.045	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.040	-0.026	9.916	0.065	0.065	0.000	0.000	0.000	0.000
161	161	SER	0	0.027	0.005	10.924	0.035	0.035	0.000	0.000	0.000	0.000
162	162	ARG	1	0.801	0.877	10.942	0.206	0.206	0.000	0.000	0.000	0.000
163	163	GLY	0	0.096	0.059	8.161	0.048	0.048	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.008	-0.006	5.428	0.127	0.127	0.000	0.000	0.000	0.000
165	165	LYS	1	0.834	0.922	7.188	0.282	0.282	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.874	-0.922	5.272	0.031	0.031	0.000	0.000	0.000	0.000
169	169	TYR	0	0.006	-0.010	6.307	-0.191	-0.191	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.024	-0.008	7.092	0.321	0.321	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.035	-0.006	9.167	0.046	0.046	0.000	0.000	0.000	0.000
176	176	ASN	0	0.056	0.029	11.373	0.028	0.028	0.000	0.000	0.000	0.000
177	177	SER	0	0.029	0.024	15.083	-0.036	-0.036	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.070	-0.036	16.637	0.000	0.000	0.000	0.000	0.000	0.000
179	179	THR	0	-0.013	-0.007	13.484	-0.018	-0.018	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.009	0.004	16.347	-0.006	-0.006	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.026	-0.018	14.098	-0.025	-0.025	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.027	-0.017	16.003	0.015	0.015	0.000	0.000	0.000	0.000
183	183	LEU	0	0.019	0.012	14.452	-0.028	-0.028	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.006	-0.010	17.459	0.022	0.022	0.000	0.000	0.000	0.000
185	185	SER	0	-0.023	-0.042	18.041	-0.030	-0.030	0.000	0.000	0.000	0.000
186	186	ALA	0	0.031	0.034	20.084	0.019	0.019	0.000	0.000	0.000	0.000
187	187	THR	0	-0.018	-0.011	19.738	0.016	0.016	0.000	0.000	0.000	0.000
188	188	MET	0	0.000	-0.016	17.482	-0.009	-0.009	0.000	0.000	0.000	0.000
189	189	PRO	0	0.032	0.034	19.317	0.018	0.018	0.000	0.000	0.000	0.000
190	190	SER	0	-0.024	-0.031	21.451	0.004	0.004	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.852	-0.912	19.345	-0.087	-0.087	0.000	0.000	0.000	0.000
192	192	VAL	0	0.002	-0.005	16.200	0.008	0.008	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.056	-0.040	18.287	0.009	0.009	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.823	-0.889	20.020	-0.013	-0.013	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.035	-0.012	13.752	0.016	0.016	0.000	0.000	0.000	0.000
196	196	THR	0	0.054	0.005	15.133	0.003	0.003	0.000	0.000	0.000	0.000
197	197	LYS	1	0.777	0.881	16.725	0.026	0.026	0.000	0.000	0.000	0.000
198	198	LYS	1	0.922	0.984	11.985	0.024	0.024	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.042	-0.011	9.409	0.014	0.014	0.000	0.000	0.000	0.000
200	200	MET	0	-0.087	-0.036	14.656	0.007	0.007	0.000	0.000	0.000	0.000
201	201	ARG	1	0.804	0.866	16.878	0.014	0.014	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.929	-0.957	21.486	0.004	0.004	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.029	-0.002	21.168	-0.004	-0.004	0.000	0.000	0.000	0.000
204	204	ILE	0	0.009	-0.001	23.349	0.002	0.002	0.000	0.000	0.000	0.000
205	205	ARG	1	0.934	0.966	23.635	0.042	0.042	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.062	-0.025	25.812	0.008	0.008	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.004	-0.011	24.925	-0.009	-0.009	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.021	-0.014	27.512	0.007	0.007	0.000	0.000	0.000	0.000
209	209	LYS	1	0.936	0.974	28.649	0.061	0.061	0.000	0.000	0.000	0.000
210	210	LYS	1	0.974	0.983	29.259	0.080	0.080	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.869	-0.947	30.232	-0.085	-0.085	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.954	-0.979	32.271	-0.090	-0.090	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.112	-0.033	26.095	-0.005	-0.005	0.000	0.000	0.000	0.000
214	214	THR	0	0.011	-0.003	28.686	-0.012	-0.012	0.000	0.000	0.000	0.000
215	215	LEU	0	0.001	0.006	27.625	0.005	0.005	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.854	-0.929	31.316	-0.098	-0.098	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.116	-0.051	34.320	0.004	0.004	0.000	0.000	0.000	0.000
218	218	ILE	0	0.010	-0.007	29.819	-0.004	-0.004	0.000	0.000	0.000	0.000
219	219	ARG	1	0.919	0.974	34.205	0.097	0.097	0.000	0.000	0.000	0.000
220	220	GLN	0	0.078	0.050	31.516	-0.008	-0.008	0.000	0.000	0.000	0.000
221	221	PHE	0	0.033	0.006	34.926	0.007	0.007	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.033	-0.015	34.624	-0.009	-0.009	0.000	0.000	0.000	0.000
223	223	ILE	0	0.073	0.034	35.845	0.006	0.006	0.000	0.000	0.000	0.000
224	224	ASN	0	0.008	0.008	36.427	-0.008	-0.008	0.000	0.000	0.000	0.000
225	225	VAL	0	0.021	-0.001	34.416	0.004	0.004	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.859	-0.897	37.161	-0.082	-0.082	0.000	0.000	0.000	0.000
227	227	ARG	1	0.887	0.912	35.246	0.085	0.085	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.727	-0.869	29.906	-0.163	-0.163	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.938	-0.968	33.498	-0.107	-0.107	0.000	0.000	0.000	0.000
230	230	TRP	0	0.006	0.003	36.481	0.001	0.001	0.000	0.000	0.000	0.000
231	231	LYS	1	0.821	0.934	29.156	0.159	0.159	0.000	0.000	0.000	0.000
232	232	LEU	0	-0.005	-0.001	33.323	-0.003	-0.003	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.813	-0.907	35.093	-0.101	-0.101	0.000	0.000	0.000	0.000
234	234	THR	0	0.000	-0.008	37.309	0.003	0.003	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.048	-0.028	31.761	-0.001	-0.001	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.057	-0.018	35.837	-0.003	-0.003	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.876	-0.921	38.213	-0.092	-0.092	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.043	-0.021	34.745	0.001	0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	0.057	0.025	34.907	-0.005	-0.005	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.909	-0.936	38.208	-0.091	-0.091	0.000	0.000	0.000	0.000
241	241	THR	0	-0.083	-0.062	37.334	-0.001	-0.001	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.018	-0.014	32.657	-0.003	-0.003	0.000	0.000	0.000	0.000
243	243	THR	0	-0.017	-0.004	36.085	-0.004	-0.004	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.039	-0.013	38.812	0.000	0.000	0.000	0.000	0.000	0.000
245	245	THR	0	-0.053	-0.032	34.810	0.000	0.000	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.060	-0.029	29.315	-0.002	-0.002	0.000	0.000	0.000	0.000
247	247	ALA	0	0.011	-0.006	30.643	0.003	0.003	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.014	-0.004	24.001	-0.009	-0.009	0.000	0.000	0.000	0.000
249	249	ILE	0	0.010	0.008	26.697	0.010	0.010	0.000	0.000	0.000	0.000
250	250	PHE	0	0.020	0.005	19.848	-0.018	-0.018	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.034	-0.023	22.407	0.023	0.023	0.000	0.000	0.000	0.000
252	252	ASN	0	0.046	0.010	20.452	-0.036	-0.036	0.000	0.000	0.000	0.000
253	253	THR	0	-0.034	-0.005	18.839	-0.013	-0.013	0.000	0.000	0.000	0.000
254	254	ARG	1	0.890	0.919	11.618	0.768	0.768	0.000	0.000	0.000	0.000
255	255	ARG	1	0.926	0.965	19.238	0.265	0.265	0.000	0.000	0.000	0.000
256	256	LYS	1	0.835	0.908	21.997	0.204	0.204	0.000	0.000	0.000	0.000
257	257	VAL	0	0.031	0.013	21.019	0.017	0.017	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.938	-0.956	22.543	-0.233	-0.233	0.000	0.000	0.000	0.000
259	259	TRP	0	0.005	0.009	24.339	0.019	0.019	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.010	-0.017	27.092	0.013	0.013	0.000	0.000	0.000	0.000
261	261	THR	0	-0.039	-0.033	25.780	0.006	0.006	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.895	-0.939	28.406	-0.143	-0.143	0.000	0.000	0.000	0.000
263	263	LYS	1	0.871	0.950	30.884	0.140	0.140	0.000	0.000	0.000	0.000
264	264	MET	0	0.004	-0.018	31.828	0.006	0.006	0.000	0.000	0.000	0.000
265	265	HIS	0	0.031	0.038	32.920	0.003	0.003	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.048	-0.027	34.623	0.008	0.008	0.000	0.000	0.000	0.000
267	267	ARG	1	0.750	0.844	36.562	0.119	0.119	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.913	-0.939	37.999	-0.102	-0.102	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.038	-0.020	35.396	0.002	0.002	0.000	0.000	0.000	0.000
270	270	THR	0	-0.032	-0.016	33.685	-0.006	-0.006	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.008	-0.014	29.484	-0.002	-0.002	0.000	0.000	0.000	0.000
272	272	SER	0	-0.001	0.025	26.126	0.003	0.003	0.000	0.000	0.000	0.000
273	273	ALA	0	0.011	0.002	24.085	0.003	0.003	0.000	0.000	0.000	0.000
274	274	MET	0	-0.023	-0.007	18.130	-0.030	-0.030	0.000	0.000	0.000	0.000
275	275	HIS	0	0.065	0.015	17.233	-0.027	-0.027	0.000	0.000	0.000	0.000
276	276	GLY	0	0.019	-0.013	13.436	-0.003	-0.003	0.000	0.000	0.000	0.000
277	277	ASP	-1	-0.920	-0.942	13.376	-0.565	-0.565	0.000	0.000	0.000	0.000
278	278	MET	0	-0.083	-0.019	15.941	0.023	0.023	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.871	-0.931	15.253	-0.480	-0.480	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.041	-0.046	13.341	-0.066	-0.066	0.000	0.000	0.000	0.000
281	281	LYS	1	0.934	0.956	15.886	0.296	0.296	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.893	-0.945	19.491	-0.256	-0.256	0.000	0.000	0.000	0.000
283	283	ARG	1	0.803	0.865	11.752	0.841	0.841	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.870	-0.928	18.381	-0.333	-0.333	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.018	-0.013	19.833	0.028	0.028	0.000	0.000	0.000	0.000
286	286	ILE	0	0.034	0.020	21.981	0.021	0.021	0.000	0.000	0.000	0.000
287	287	MET	0	0.006	0.009	19.707	0.018	0.018	0.000	0.000	0.000	0.000
288	288	ARG	1	0.851	0.930	22.246	0.279	0.279	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.861	-0.899	24.800	-0.168	-0.168	0.000	0.000	0.000	0.000
290	290	PHE	0	0.022	0.012	24.987	0.011	0.011	0.000	0.000	0.000	0.000
291	291	ARG	1	0.908	0.956	23.141	0.255	0.255	0.000	0.000	0.000	0.000
292	292	SER	0	-0.091	-0.067	26.710	0.014	0.014	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.020	-0.007	29.812	0.012	0.012	0.000	0.000	0.000	0.000
294	294	SER	0	-0.070	-0.044	30.677	0.014	0.014	0.000	0.000	0.000	0.000
295	295	SER	0	-0.007	-0.014	28.653	0.003	0.003	0.000	0.000	0.000	0.000
296	296	ARG	1	0.885	0.945	30.584	0.126	0.126	0.000	0.000	0.000	0.000
297	297	VAL	0	0.073	0.027	30.095	-0.001	-0.001	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.021	0.007	22.639	-0.004	-0.004	0.000	0.000	0.000	0.000
299	299	ILE	0	0.029	0.009	24.153	0.002	0.002	0.000	0.000	0.000	0.000
300	300	THR	0	-0.044	-0.052	19.460	-0.029	-0.029	0.000	0.000	0.000	0.000
301	301	THR	0	0.041	0.013	16.405	0.031	0.031	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.816	-0.881	16.369	-0.328	-0.328	0.000	0.000	0.000	0.000
303	303	LEU	0	0.002	0.019	13.430	-0.026	-0.026	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.012	-0.015	15.014	-0.018	-0.018	0.000	0.000	0.000	0.000
305	305	ALA	0	0.041	0.030	16.941	0.045	0.045	0.000	0.000	0.000	0.000
306	306	ARG	1	0.831	0.883	15.111	0.356	0.356	0.000	0.000	0.000	0.000
307	307	GLY	0	0.031	0.016	17.307	-0.025	-0.025	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.058	-0.028	16.736	0.023	0.023	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.874	-0.926	20.309	-0.208	-0.208	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.025	-0.035	23.536	-0.014	-0.014	0.000	0.000	0.000	0.000
311	311	GLN	0	-0.023	-0.006	26.305	0.003	0.003	0.000	0.000	0.000	0.000
312	312	GLN	0	0.019	-0.006	30.106	0.003	0.003	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.014	0.029	27.176	0.008	0.008	0.000	0.000	0.000	0.000
314	314	SER	0	-0.050	-0.045	30.600	0.002	0.002	0.000	0.000	0.000	0.000
315	315	LEU	0	0.020	0.005	32.345	0.000	0.000	0.000	0.000	0.000	0.000
316	316	VAL	0	0.006	0.003	26.871	-0.011	-0.011	0.000	0.000	0.000	0.000
317	317	ILE	0	0.014	0.004	28.654	0.013	0.013	0.000	0.000	0.000	0.000
318	318	ASN	0	0.010	0.005	25.740	-0.032	-0.032	0.000	0.000	0.000	0.000
319	319	TYR	0	0.007	-0.016	27.217	0.016	0.016	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.806	-0.889	24.535	-0.190	-0.190	0.000	0.000	0.000	0.000
321	321	LEU	0	0.030	0.016	25.270	-0.013	-0.013	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.039	0.011	22.001	-0.006	-0.006	0.000	0.000	0.000	0.000
323	323	THR	0	0.082	0.022	20.747	0.010	0.010	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.045	-0.013	18.450	0.008	0.008	0.000	0.000	0.000	0.000
325	325	ARG	1	0.911	0.950	20.839	0.123	0.123	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.793	-0.893	20.135	-0.154	-0.154	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.031	-0.030	19.170	-0.013	-0.013	0.000	0.000	0.000	0.000
328	328	TYR	0	0.002	-0.011	20.709	-0.011	-0.011	0.000	0.000	0.000	0.000
329	329	ILE	0	0.013	0.008	23.381	0.000	0.000	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.047	-0.033	20.225	-0.005	-0.005	0.000	0.000	0.000	0.000
331	331	ARG	1	0.797	0.862	20.438	0.266	0.266	0.000	0.000	0.000	0.000
332	332	ILE	0	0.019	0.005	23.286	0.003	0.003	0.000	0.000	0.000	0.000
333	333	GLY	0	0.001	0.012	25.175	0.008	0.008	0.000	0.000	0.000	0.000
334	334	ARG	1	0.784	0.886	20.882	0.277	0.277	0.000	0.000	0.000	0.000
335	335	GLY	0	0.026	0.010	25.152	0.003	0.003	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.018	-0.015	28.992	0.001	0.001	0.000	0.000	0.000	0.000
337	337	ARG	1	0.800	0.926	24.808	0.203	0.203	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.010	-0.020	31.076	0.009	0.009	0.000	0.000	0.000	0.000
339	339	GLY	0	0.023	0.016	33.206	0.006	0.006	0.000	0.000	0.000	0.000
340	340	ARG	1	0.789	0.883	35.224	0.118	0.118	0.000	0.000	0.000	0.000
341	341	LYS	1	0.904	0.950	35.105	0.090	0.090	0.000	0.000	0.000	0.000
342	342	GLY	0	0.071	0.035	33.532	0.002	0.002	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.040	-0.017	33.586	0.008	0.008	0.000	0.000	0.000	0.000
344	344	ALA	0	0.001	0.002	30.448	-0.010	-0.010	0.000	0.000	0.000	0.000
345	345	ILE	0	0.023	0.017	32.059	0.009	0.009	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.021	-0.014	30.050	-0.021	-0.021	0.000	0.000	0.000	0.000
347	347	MET	0	-0.006	-0.007	31.234	0.007	0.007	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.019	-0.006	31.571	-0.006	-0.006	0.000	0.000	0.000	0.000
349	349	THR	0	-0.085	-0.051	31.560	0.009	0.009	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.914	-0.985	33.945	-0.081	-0.081	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.956	-0.978	29.673	-0.102	-0.102	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.843	-0.899	29.183	-0.143	-0.143	0.000	0.000	0.000	0.000
353	353	LYS	1	0.915	0.961	30.898	0.080	0.080	0.000	0.000	0.000	0.000
354	354	ARG	1	0.943	0.968	31.064	0.087	0.087	0.000	0.000	0.000	0.000
355	355	THR	0	0.098	0.051	26.204	-0.001	-0.001	0.000	0.000	0.000	0.000
356	356	LEU	0	0.004	0.007	29.104	-0.003	-0.003	0.000	0.000	0.000	0.000
357	357	ARG	1	0.832	0.911	31.535	0.093	0.093	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.877	-0.921	28.856	-0.097	-0.097	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.060	-0.023	26.766	-0.001	-0.001	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.817	-0.924	29.752	-0.093	-0.093	0.000	0.000	0.000	0.000
361	361	THR	0	-0.065	-0.038	32.511	0.007	0.007	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.092	-0.055	26.153	0.006	0.006	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.045	-0.061	24.677	-0.001	-0.001	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.063	-0.016	31.212	0.004	0.004	0.000	0.000	0.000	0.000
365	365	THR	0	0.016	0.020	32.878	0.002	0.002	0.000	0.000	0.000	0.000
366	366	SER	0	-0.010	-0.005	35.925	0.003	0.003	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.046	-0.018	32.579	-0.004	-0.004	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.919	-0.947	37.139	-0.076	-0.076	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.962	-0.984	38.732	-0.086	-0.086	0.000	0.000	0.000	0.000
370	370	MET	0	-0.056	-0.028	39.069	-0.001	-0.001	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.001	0.011	40.953	0.003	0.003	0.000	0.000	0.000	0.000
372	372	LEU	0	-0.015	-0.019	43.781	-0.003	-0.003	0.000	0.000	0.000	0.000
373	373	ASN	0	0.001	0.001	44.701	-0.003	-0.003	0.000	0.000	0.000	0.000
374	374	VAL	0	0.076	0.025	38.997	0.000	0.000	0.000	0.000	0.000	0.000
375	375	ALA	0	0.003	-0.002	41.028	-0.003	-0.003	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.926	-0.956	42.623	-0.079	-0.079	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.152	-0.074	40.666	0.001	0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.764	-0.821	36.800	-0.117	-0.117	0.000	0.000	0.000	0.000
379	379	A	-1	-0.527	-0.634	15.565	-0.055	-0.055	0.000	0.000	0.000	0.000
380	379	A	0	-0.357	-0.295	19.666	-0.009	-0.009	0.000	0.000	0.000	0.000
381	380	G	-1	-0.520	-0.621	14.381	-0.141	-0.141	0.000	0.000	0.000	0.000
382	380	G	0	-0.377	-0.325	17.401	-0.018	-0.018	0.000	0.000	0.000	0.000
383	381	A	-1	-0.612	-0.662	13.978	-0.318	-0.318	0.000	0.000	0.000	0.000
384	381	A	0	-0.345	-0.309	15.744	-0.006	-0.006	0.000	0.000	0.000	0.000
385	382	G	-1	-0.530	-0.666	15.033	-0.424	-0.424	0.000	0.000	0.000	0.000
386	382	G	0	-0.363	-0.307	12.910	-0.024	-0.024	0.000	0.000	0.000	0.000
387	383	A	-1	-0.489	-0.602	11.384	-0.621	-0.621	0.000	0.000	0.000	0.000
388	383	A	0	-0.333	-0.289	8.946	-0.085	-0.085	0.000	0.000	0.000	0.000
389	384	G	-1	-0.481	-0.580	7.465	-0.948	-0.948	0.000	0.000	0.000	0.000
390	384	G	0	-0.361	-0.310	5.288	-0.160	-0.160	0.000	0.000	0.000	0.000
395	387	A	-1	-0.586	-0.673	5.552	-0.437	-0.437	0.000	0.000	0.000	0.000
396	387	A	0	-0.319	-0.287	6.161	0.073	0.073	0.000	0.000	0.000	0.000
397	388	G	0	0.266	0.228	7.674	0.028	0.028	0.000	0.000	0.000	0.000

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