FMO DATABASE

FMODB ID: 94ZV2

Calculation Name: 6XKI-A-MD433-97ns

Preferred Name:

Target Type:

Ligand Name: (3s,6z,8e,11s,15r)-15-amino-3-[(1e,3e,5e)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione

ligand 3-letter code: V6D

PDB ID: 6XKI

Chain ID: A

ChEMBL ID:

UniProt ID:

Base Structure: MD

Registration Date: 2023-09-19

Reference: Hironori Saito, Yuma Handa, Mingming Chen, Tilman Schneider-Poetsch, Yuichi Shichino, Mari Takahashi, Daniel Romo, Minoru Yoshida, Alois F�rstner, Takuhiro Ito, Kaori Fukuzawa, Shintaro Iwasaki Pateamine A mediates RNA sequence-selective translation repression by anchoring eIF4A and DDX3 to GNG motifs, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	AMBER14SB
Restraint	OptAll(Heavy atoms were optimized with constraints.)
Protonation	BaseStructure_original
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	400
LigandCharge	V6D=1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7609696.424787
FMO2-HF: Nuclear repulsion	7440492.58189
FMO2-HF: Total energy	-169203.842897
FMO2-MP2: Total energy	-169681.558369

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.
-294.646969	-248.464386	44.851407	-18.731789	-72.302201	0.061749

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.
-243.927	-230.594	9.488	-3.905	-18.915	-0.002

Interaction energy analysis for fragmet #399(:389:V6D)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 1.041 / q_NPA : 1.027

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
82	82	ARG	1	0.881	0.918	3.155	41.349	41.786	0.040	-0.110	-0.367	0.000
132	132	GLY	0	0.041	0.017	2.422	1.006	0.244	0.607	0.105	0.050	0.001
133	133	ARG	1	0.840	0.883	3.246	29.312	29.162	0.012	0.373	-0.235	-0.001
167	167	GLN	0	-0.006	-0.008	4.550	-1.345	-1.036	-0.001	-0.043	-0.265	0.000
254	254	ARG	1	0.970	0.959	3.962	42.787	42.945	-0.001	-0.006	-0.151	0.000
277	277	ASP	-1	-1.006	-0.995	4.600	-56.109	-55.816	-0.001	-0.021	-0.272	0.000
390	384	A	-1	-0.450	-0.593	4.762	-33.536	-33.245	-0.001	-0.017	-0.272	0.000
391	385	G	0	-0.336	-0.290	2.480	-13.574	-7.179	3.484	-1.839	-8.040	-0.007
392	385	G	-1	-0.504	-0.593	2.368	-40.990	-37.130	2.796	-2.569	-4.087	0.003
393	386	A	0	-0.347	-0.298	2.803	-3.200	-1.112	2.332	-1.072	-3.348	0.004
394	386	A	-1	-0.543	-0.664	3.122	-37.795	-37.931	0.221	1.309	-1.393	-0.002
395	387	G	0	-0.356	-0.299	4.577	-9.137	-8.587	0.000	-0.015	-0.535	0.000
1	1	GLU	0	-0.060	-0.043	43.119	0.411	0.411	0.000	0.000	0.000	0.000
2	2	ILE	0	0.009	-0.001	39.838	-0.136	-0.136	0.000	0.000	0.000	0.000
3	3	VAL	0	0.008	0.009	39.542	0.133	0.133	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.893	-0.936	39.842	-6.874	-6.874	0.000	0.000	0.000	0.000
5	5	SER	0	0.045	0.008	40.801	-0.056	-0.056	0.000	0.000	0.000	0.000
6	6	PHE	0	0.034	0.002	33.433	-0.047	-0.047	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.903	-0.952	38.061	-6.972	-6.972	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.902	-0.942	40.904	-6.564	-6.564	0.000	0.000	0.000	0.000
9	9	MET	0	-0.166	-0.078	33.881	-0.041	-0.041	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.061	-0.029	37.473	-0.165	-0.165	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.013	0.004	33.451	-0.080	-0.080	0.000	0.000	0.000	0.000
12	12	SER	0	0.025	0.005	34.470	0.119	0.119	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.767	-0.877	36.606	-7.486	-7.486	0.000	0.000	0.000	0.000
14	14	SER	0	0.018	0.006	35.516	-0.040	-0.040	0.000	0.000	0.000	0.000
15	15	LEU	0	0.022	0.015	30.426	-0.203	-0.203	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.044	-0.015	33.949	-0.161	-0.161	0.000	0.000	0.000	0.000
17	17	ARG	1	0.810	0.890	36.603	7.526	7.526	0.000	0.000	0.000	0.000
18	18	GLY	0	0.041	0.024	32.888	-0.024	-0.024	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.044	-0.032	32.026	-0.200	-0.200	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.002	-0.009	33.565	-0.022	-0.022	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.027	0.002	34.181	0.020	0.020	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.058	-0.037	26.165	-0.185	-0.185	0.000	0.000	0.000	0.000
23	23	GLY	0	0.017	0.021	32.065	-0.158	-0.158	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.093	-0.042	28.865	-0.061	-0.061	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.866	-0.937	35.065	-7.477	-7.477	0.000	0.000	0.000	0.000
26	26	LYS	1	0.846	0.903	37.649	7.169	7.169	0.000	0.000	0.000	0.000
27	27	PRO	0	0.011	0.019	34.751	-0.207	-0.207	0.000	0.000	0.000	0.000
28	28	SER	0	0.014	0.003	31.755	0.166	0.166	0.000	0.000	0.000	0.000
29	29	ALA	0	0.012	-0.017	34.878	0.040	0.040	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.011	-0.019	29.640	0.055	0.055	0.000	0.000	0.000	0.000
31	31	GLN	0	0.047	0.027	29.311	0.156	0.156	0.000	0.000	0.000	0.000
32	32	GLN	0	0.031	0.021	31.809	-0.044	-0.044	0.000	0.000	0.000	0.000
33	33	ARG	1	0.876	0.932	33.206	7.952	7.952	0.000	0.000	0.000	0.000
34	34	ALA	0	0.012	0.018	27.999	-0.043	-0.043	0.000	0.000	0.000	0.000
35	35	ILE	0	0.039	0.014	29.237	-0.092	-0.092	0.000	0.000	0.000	0.000
36	36	LEU	0	0.033	0.024	30.429	0.001	0.001	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.032	-0.027	30.496	0.070	0.070	0.000	0.000	0.000	0.000
38	38	CYS	0	0.014	0.025	25.771	-0.134	-0.134	0.000	0.000	0.000	0.000
39	39	ILE	0	0.064	0.042	28.605	-0.045	-0.045	0.000	0.000	0.000	0.000
40	40	LYS	1	0.858	0.929	31.205	7.764	7.764	0.000	0.000	0.000	0.000
41	41	GLY	0	0.017	0.026	28.755	0.132	0.132	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.053	-0.025	28.544	0.019	0.019	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.688	-0.816	24.067	-10.916	-10.916	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.059	-0.029	24.571	0.321	0.321	0.000	0.000	0.000	0.000
45	45	ILE	0	0.025	0.012	23.057	-0.410	-0.410	0.000	0.000	0.000	0.000
46	46	ALA	0	0.019	-0.021	24.706	0.449	0.449	0.000	0.000	0.000	0.000
47	47	GLN	0	0.002	0.000	25.151	-0.149	-0.149	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.032	-0.014	25.705	0.268	0.268	0.000	0.000	0.000	0.000
49	49	GLN	0	0.046	0.021	25.901	-0.473	-0.473	0.000	0.000	0.000	0.000
50	50	SER	0	0.036	0.021	26.874	-0.129	-0.129	0.000	0.000	0.000	0.000
51	51	GLY	0	0.017	0.012	27.935	0.276	0.276	0.000	0.000	0.000	0.000
52	52	THR	0	-0.062	-0.044	28.595	0.188	0.188	0.000	0.000	0.000	0.000
53	53	GLY	0	0.088	0.059	28.454	0.132	0.132	0.000	0.000	0.000	0.000
54	54	LYS	1	0.782	0.882	20.893	12.970	12.970	0.000	0.000	0.000	0.000
55	55	THR	0	0.038	0.007	22.133	-0.241	-0.241	0.000	0.000	0.000	0.000
56	56	ALA	0	0.038	0.019	23.747	-0.029	-0.029	0.000	0.000	0.000	0.000
57	57	THR	0	-0.025	-0.026	25.698	0.245	0.245	0.000	0.000	0.000	0.000
58	58	PHE	0	0.046	0.034	20.058	0.243	0.243	0.000	0.000	0.000	0.000
59	59	ALA	0	0.013	0.016	23.735	0.088	0.088	0.000	0.000	0.000	0.000
60	60	ILE	0	0.022	0.007	24.698	0.159	0.159	0.000	0.000	0.000	0.000
61	61	SER	0	-0.041	-0.047	25.891	0.288	0.288	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.023	-0.007	21.222	0.099	0.099	0.000	0.000	0.000	0.000
63	63	LEU	0	0.016	0.005	25.466	0.194	0.194	0.000	0.000	0.000	0.000
64	64	GLN	0	0.029	0.019	27.907	0.146	0.146	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.094	-0.058	27.626	0.408	0.408	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.065	-0.022	24.032	-0.134	-0.134	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.871	-0.938	28.075	-8.321	-8.321	0.000	0.000	0.000	0.000
68	68	LEU	0	0.008	-0.018	28.366	-0.291	-0.291	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.905	-0.930	30.196	-8.353	-8.353	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.110	-0.049	25.849	-0.024	-0.024	0.000	0.000	0.000	0.000
71	71	LYS	1	0.944	0.973	26.762	9.174	9.174	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.027	-0.028	22.902	-0.126	-0.126	0.000	0.000	0.000	0.000
73	73	THR	0	-0.028	0.002	17.647	-0.019	-0.019	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.021	-0.015	20.863	0.161	0.161	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.020	-0.018	20.328	0.165	0.165	0.000	0.000	0.000	0.000
76	76	LEU	0	0.001	0.006	12.881	-0.314	-0.314	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.013	-0.008	15.712	0.223	0.223	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.006	-0.008	9.530	-0.889	-0.889	0.000	0.000	0.000	0.000
79	79	ALA	0	0.024	0.003	11.435	1.101	1.101	0.000	0.000	0.000	0.000
80	80	PRO	0	0.028	0.012	10.156	-1.411	-1.411	0.000	0.000	0.000	0.000
81	81	THR	0	0.024	0.021	8.369	-1.807	-1.807	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.755	-0.870	9.547	-23.293	-23.293	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.035	-0.002	12.553	1.529	1.529	0.000	0.000	0.000	0.000
85	85	ALA	0	0.023	0.005	12.054	1.153	1.153	0.000	0.000	0.000	0.000
86	86	GLN	0	-0.014	-0.014	12.988	0.495	0.495	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.005	0.019	15.376	0.911	0.911	0.000	0.000	0.000	0.000
88	88	ILE	0	0.012	-0.003	16.458	0.812	0.812	0.000	0.000	0.000	0.000
89	89	GLN	0	0.039	0.017	17.431	0.476	0.476	0.000	0.000	0.000	0.000
90	90	LYS	1	0.933	0.964	19.295	13.726	13.726	0.000	0.000	0.000	0.000
91	91	VAL	0	0.008	0.012	22.183	0.476	0.476	0.000	0.000	0.000	0.000
92	92	VAL	0	0.001	-0.011	20.599	0.474	0.474	0.000	0.000	0.000	0.000
93	93	MET	0	0.003	0.016	22.819	0.354	0.354	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.017	0.010	25.267	0.359	0.359	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.042	-0.025	26.424	0.356	0.356	0.000	0.000	0.000	0.000
96	96	GLY	0	0.010	-0.003	27.501	0.292	0.292	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.919	-0.943	28.559	-9.204	-9.204	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.023	-0.027	30.868	0.252	0.252	0.000	0.000	0.000	0.000
99	99	MET	0	-0.074	-0.032	30.925	0.168	0.168	0.000	0.000	0.000	0.000
100	100	GLY	0	0.014	0.018	31.463	0.082	0.082	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.075	-0.023	26.623	-0.151	-0.151	0.000	0.000	0.000	0.000
102	102	SER	0	-0.033	-0.037	24.178	-0.287	-0.287	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.075	-0.048	19.217	-0.233	-0.233	0.000	0.000	0.000	0.000
104	104	HIS	0	0.004	-0.029	15.067	0.772	0.772	0.000	0.000	0.000	0.000
105	105	ALA	0	0.012	0.009	13.931	-0.216	-0.216	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.013	0.007	10.392	-0.589	-0.589	0.000	0.000	0.000	0.000
107	107	ILE	0	-0.022	-0.005	8.633	-1.026	-1.026	0.000	0.000	0.000	0.000
108	108	GLY	0	0.025	0.017	5.344	0.592	0.592	0.000	0.000	0.000	0.000
109	109	GLY	0	0.013	-0.012	6.393	0.243	0.243	0.000	0.000	0.000	0.000
110	110	THR	0	-0.005	-0.001	7.442	2.749	2.749	0.000	0.000	0.000	0.000
111	111	ASN	0	0.026	0.008	10.872	-0.792	-0.792	0.000	0.000	0.000	0.000
112	112	VAL	0	0.105	0.054	11.120	1.336	1.336	0.000	0.000	0.000	0.000
113	113	ARG	1	0.928	0.960	13.689	18.545	18.545	0.000	0.000	0.000	0.000
114	114	ALA	0	0.001	-0.003	17.165	0.810	0.810	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.805	-0.883	13.728	-17.343	-17.343	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.029	-0.014	15.872	0.653	0.653	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.037	-0.008	18.167	0.511	0.511	0.000	0.000	0.000	0.000
118	118	LYS	1	0.939	0.953	19.338	13.262	13.262	0.000	0.000	0.000	0.000
119	119	LEU	0	0.051	0.026	15.293	0.367	0.367	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.044	-0.014	19.956	0.219	0.219	0.000	0.000	0.000	0.000
121	121	MET	0	-0.109	-0.057	23.004	0.371	0.371	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.874	-0.915	22.548	-10.972	-10.972	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.042	-0.010	22.604	0.304	0.304	0.000	0.000	0.000	0.000
124	124	PRO	0	0.010	0.019	19.649	0.263	0.263	0.000	0.000	0.000	0.000
125	125	HIS	0	0.101	0.046	21.435	-0.595	-0.595	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.034	-0.016	19.417	-0.090	-0.090	0.000	0.000	0.000	0.000
127	127	ILE	0	-0.006	-0.004	14.085	-0.318	-0.318	0.000	0.000	0.000	0.000
128	128	VAL	0	-0.002	0.004	14.594	0.132	0.132	0.000	0.000	0.000	0.000
129	129	GLY	0	0.013	0.001	11.002	-0.287	-0.287	0.000	0.000	0.000	0.000
130	130	THR	0	-0.007	-0.016	6.422	1.216	1.216	0.000	0.000	0.000	0.000
131	131	PRO	0	0.028	0.005	5.471	-0.277	-0.277	0.000	0.000	0.000	0.000
134	134	VAL	0	0.012	0.008	6.387	2.302	2.302	0.000	0.000	0.000	0.000
135	135	PHE	0	0.071	0.020	5.520	2.118	2.118	0.000	0.000	0.000	0.000
136	136	ASP	-1	-0.895	-0.902	6.386	-23.602	-23.602	0.000	0.000	0.000	0.000
137	137	MET	0	0.015	-0.010	7.952	2.294	2.294	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.011	0.014	10.591	1.527	1.527	0.000	0.000	0.000	0.000
139	139	ASN	0	-0.081	-0.057	9.105	2.395	2.395	0.000	0.000	0.000	0.000
140	140	ARG	1	0.896	0.968	12.017	18.987	18.987	0.000	0.000	0.000	0.000
141	141	ARG	1	0.892	0.940	13.964	13.651	13.651	0.000	0.000	0.000	0.000
142	142	TYR	0	-0.015	-0.008	15.259	0.727	0.727	0.000	0.000	0.000	0.000
143	143	LEU	0	0.030	0.036	12.086	0.590	0.590	0.000	0.000	0.000	0.000
144	144	SER	0	-0.003	-0.026	15.912	-0.015	-0.015	0.000	0.000	0.000	0.000
145	145	PRO	0	0.058	0.014	16.899	0.343	0.343	0.000	0.000	0.000	0.000
146	146	LYS	1	0.852	0.945	19.221	10.988	10.988	0.000	0.000	0.000	0.000
147	147	TYR	0	0.021	0.000	21.773	0.348	0.348	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.009	0.014	16.537	0.152	0.152	0.000	0.000	0.000	0.000
149	149	LYS	1	1.006	1.026	20.667	9.678	9.678	0.000	0.000	0.000	0.000
150	150	MET	0	-0.026	-0.011	21.258	0.138	0.138	0.000	0.000	0.000	0.000
151	151	PHE	0	0.027	0.005	12.263	-0.382	-0.382	0.000	0.000	0.000	0.000
152	152	VAL	0	0.015	-0.004	17.061	0.414	0.414	0.000	0.000	0.000	0.000
153	153	LEU	0	0.006	0.004	13.731	-0.838	-0.838	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.785	-0.891	16.045	-12.615	-12.615	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.838	-0.916	15.724	-14.932	-14.932	0.000	0.000	0.000	0.000
156	156	ALA	0	0.017	0.001	15.301	-0.577	-0.577	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.782	-0.845	15.608	-14.487	-14.487	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.859	-0.915	12.327	-18.379	-18.379	0.000	0.000	0.000	0.000
159	159	MET	0	-0.050	0.002	10.698	-1.093	-1.093	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.034	-0.022	11.702	-0.440	-0.440	0.000	0.000	0.000	0.000
161	161	SER	0	0.000	-0.009	13.104	0.516	0.516	0.000	0.000	0.000	0.000
162	162	ARG	1	0.776	0.856	13.133	17.174	17.174	0.000	0.000	0.000	0.000
163	163	GLY	0	0.069	0.038	10.803	0.123	0.123	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.011	0.003	6.453	-2.166	-2.166	0.000	0.000	0.000	0.000
165	165	LYS	1	0.966	0.985	8.740	15.281	15.281	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.917	-0.964	9.274	-17.878	-17.878	0.000	0.000	0.000	0.000
168	168	ILE	0	0.001	0.000	6.898	0.447	0.447	0.000	0.000	0.000	0.000
169	169	TYR	0	0.008	-0.013	10.127	1.069	1.069	0.000	0.000	0.000	0.000
170	170	ASP	-1	-0.880	-0.928	8.388	-18.531	-18.531	0.000	0.000	0.000	0.000
171	171	ILE	0	-0.044	-0.021	7.662	0.783	0.783	0.000	0.000	0.000	0.000
172	172	PHE	0	-0.033	-0.018	10.803	1.018	1.018	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.036	-0.028	13.650	1.263	1.263	0.000	0.000	0.000	0.000
174	174	LYS	1	0.894	0.969	12.098	16.637	16.637	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.026	-0.002	14.674	0.483	0.483	0.000	0.000	0.000	0.000
176	176	ASN	0	0.020	0.012	16.881	0.216	0.216	0.000	0.000	0.000	0.000
177	177	SER	0	0.036	0.018	20.693	0.017	0.017	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.078	-0.042	22.171	0.140	0.140	0.000	0.000	0.000	0.000
179	179	THR	0	0.012	0.012	18.842	0.174	0.174	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.065	-0.035	22.155	0.013	0.013	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.007	-0.008	18.624	-0.476	-0.476	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.016	-0.013	20.226	0.507	0.507	0.000	0.000	0.000	0.000
183	183	LEU	0	0.009	0.006	17.688	-0.599	-0.599	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.019	-0.010	19.830	0.629	0.629	0.000	0.000	0.000	0.000
185	185	SER	0	0.001	-0.032	19.732	-0.652	-0.652	0.000	0.000	0.000	0.000
186	186	ALA	0	0.040	0.035	21.662	0.462	0.462	0.000	0.000	0.000	0.000
187	187	THR	0	-0.011	-0.003	20.975	0.449	0.449	0.000	0.000	0.000	0.000
188	188	MET	0	-0.017	-0.020	22.117	-0.223	-0.223	0.000	0.000	0.000	0.000
189	189	PRO	0	0.071	0.051	21.095	0.515	0.515	0.000	0.000	0.000	0.000
190	190	SER	0	-0.013	-0.014	23.606	-0.092	-0.092	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.856	-0.927	21.420	-11.707	-11.707	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.018	-0.009	18.485	-0.228	-0.228	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.021	-0.018	20.551	0.070	0.070	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.837	-0.890	23.356	-10.213	-10.213	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.040	-0.017	16.474	-0.035	-0.035	0.000	0.000	0.000	0.000
196	196	THR	0	-0.055	-0.046	19.637	0.065	0.065	0.000	0.000	0.000	0.000
197	197	LYS	1	0.861	0.913	20.809	9.985	9.985	0.000	0.000	0.000	0.000
198	198	LYS	1	0.906	0.971	16.981	13.735	13.735	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.014	-0.015	16.765	-0.106	-0.106	0.000	0.000	0.000	0.000
200	200	MET	0	-0.060	-0.007	19.680	-0.051	-0.051	0.000	0.000	0.000	0.000
201	201	ARG	1	0.764	0.841	22.315	11.060	11.060	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.936	-0.959	25.739	-8.670	-8.670	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.042	-0.008	24.981	0.164	0.164	0.000	0.000	0.000	0.000
204	204	ILE	0	0.004	-0.001	27.546	0.259	0.259	0.000	0.000	0.000	0.000
205	205	ARG	1	0.965	0.981	26.999	9.306	9.306	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.045	-0.018	28.824	0.359	0.359	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.018	-0.016	27.182	-0.287	-0.287	0.000	0.000	0.000	0.000
208	208	VAL	0	0.011	0.009	29.490	0.307	0.307	0.000	0.000	0.000	0.000
209	209	LYS	1	0.937	0.970	30.444	7.820	7.820	0.000	0.000	0.000	0.000
210	210	LYS	1	0.862	0.917	30.182	8.916	8.916	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.906	-0.956	31.154	-8.485	-8.485	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.973	-0.987	32.411	-8.402	-8.402	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.077	-0.031	26.705	-0.092	-0.092	0.000	0.000	0.000	0.000
214	214	THR	0	-0.008	-0.007	29.185	-0.309	-0.309	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.021	-0.008	26.468	0.153	0.153	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.916	-0.951	31.031	-7.917	-7.917	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.026	-0.014	32.870	0.100	0.100	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.041	-0.021	28.248	0.051	0.051	0.000	0.000	0.000	0.000
219	219	ARG	1	0.963	0.989	31.753	8.037	8.037	0.000	0.000	0.000	0.000
220	220	GLN	0	0.066	0.039	30.613	-0.363	-0.363	0.000	0.000	0.000	0.000
221	221	PHE	0	0.024	0.007	32.157	0.299	0.299	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.025	-0.015	31.975	-0.435	-0.435	0.000	0.000	0.000	0.000
223	223	ILE	0	0.039	0.014	32.020	0.282	0.282	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.028	-0.009	33.089	-0.449	-0.449	0.000	0.000	0.000	0.000
225	225	VAL	0	0.036	0.014	30.093	0.085	0.085	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.871	-0.927	33.616	-8.190	-8.190	0.000	0.000	0.000	0.000
227	227	ARG	1	0.852	0.918	31.367	8.699	8.699	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.723	-0.847	24.116	-12.291	-12.291	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.985	-0.997	27.578	-10.924	-10.924	0.000	0.000	0.000	0.000
230	230	TRP	0	0.013	0.003	29.084	0.112	0.112	0.000	0.000	0.000	0.000
231	231	LYS	1	0.804	0.900	23.655	12.353	12.353	0.000	0.000	0.000	0.000
232	232	LEU	0	0.027	0.006	25.390	-0.061	-0.061	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.887	-0.940	27.524	-9.601	-9.601	0.000	0.000	0.000	0.000
234	234	THR	0	0.022	0.003	30.498	0.224	0.224	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.040	-0.020	25.025	0.058	0.058	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.111	-0.061	29.272	-0.063	-0.063	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.912	-0.949	31.258	-8.591	-8.591	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.042	-0.020	29.806	0.176	0.176	0.000	0.000	0.000	0.000
239	239	TYR	0	0.025	-0.006	27.429	-0.167	-0.167	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.910	-0.937	31.950	-8.201	-8.201	0.000	0.000	0.000	0.000
241	241	THR	0	0.013	0.011	32.399	0.125	0.125	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.058	-0.036	27.432	-0.052	-0.052	0.000	0.000	0.000	0.000
243	243	THR	0	-0.018	0.007	30.281	-0.190	-0.190	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.037	-0.024	32.714	-0.076	-0.076	0.000	0.000	0.000	0.000
245	245	THR	0	-0.052	-0.025	30.157	-0.021	-0.021	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.046	-0.018	24.129	0.124	0.124	0.000	0.000	0.000	0.000
247	247	ALA	0	-0.011	-0.009	25.795	0.152	0.152	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.014	-0.001	19.752	-0.453	-0.453	0.000	0.000	0.000	0.000
249	249	ILE	0	0.003	0.000	21.049	0.462	0.462	0.000	0.000	0.000	0.000
250	250	PHE	0	0.020	0.010	16.787	-0.678	-0.678	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.016	-0.013	16.385	0.784	0.784	0.000	0.000	0.000	0.000
252	252	ASN	0	0.003	-0.013	16.821	-0.791	-0.791	0.000	0.000	0.000	0.000
253	253	THR	0	-0.049	-0.011	13.472	-0.521	-0.521	0.000	0.000	0.000	0.000
255	255	ARG	1	0.964	0.988	11.565	17.573	17.573	0.000	0.000	0.000	0.000
256	256	LYS	1	0.778	0.856	13.632	14.671	14.671	0.000	0.000	0.000	0.000
257	257	VAL	0	0.047	0.032	13.836	0.928	0.928	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.813	-0.885	12.034	-22.302	-22.302	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.071	-0.029	15.359	0.949	0.949	0.000	0.000	0.000	0.000
260	260	LEU	0	0.005	-0.018	18.487	0.697	0.697	0.000	0.000	0.000	0.000
261	261	THR	0	-0.018	-0.019	17.207	0.461	0.461	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.892	-0.940	19.342	-13.651	-13.651	0.000	0.000	0.000	0.000
263	263	LYS	1	0.878	0.939	21.022	13.173	13.173	0.000	0.000	0.000	0.000
264	264	MET	0	-0.037	-0.029	23.265	0.603	0.603	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.022	-0.005	20.497	0.399	0.399	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.017	0.000	24.646	0.406	0.406	0.000	0.000	0.000	0.000
267	267	ARG	1	0.860	0.927	27.025	10.574	10.574	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.905	-0.940	28.344	-9.685	-9.685	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.022	-0.005	27.231	0.189	0.189	0.000	0.000	0.000	0.000
270	270	THR	0	-0.031	-0.022	25.703	-0.476	-0.476	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.011	0.003	21.879	0.058	0.058	0.000	0.000	0.000	0.000
272	272	SER	0	-0.016	-0.003	18.732	-0.562	-0.562	0.000	0.000	0.000	0.000
273	273	ALA	0	0.026	-0.002	16.851	0.408	0.408	0.000	0.000	0.000	0.000
274	274	MET	0	-0.036	-0.008	11.720	-0.228	-0.228	0.000	0.000	0.000	0.000
275	275	HIS	0	0.003	-0.025	8.784	-1.377	-1.377	0.000	0.000	0.000	0.000
276	276	GLY	0	0.014	-0.013	6.343	-0.323	-0.323	0.000	0.000	0.000	0.000
278	278	MET	0	-0.032	0.020	5.698	0.771	0.771	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.876	-0.942	6.878	-37.066	-37.066	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.024	-0.030	7.546	0.110	0.110	0.000	0.000	0.000	0.000
281	281	LYS	1	0.815	0.884	9.052	23.277	23.277	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.826	-0.892	11.328	-18.172	-18.172	0.000	0.000	0.000	0.000
283	283	ARG	1	0.811	0.862	5.492	34.383	34.383	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.935	-0.959	12.192	-16.285	-16.285	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.020	-0.016	14.490	1.389	1.389	0.000	0.000	0.000	0.000
286	286	ILE	0	0.041	0.019	15.241	1.160	1.160	0.000	0.000	0.000	0.000
287	287	MET	0	0.026	0.022	15.030	1.405	1.405	0.000	0.000	0.000	0.000
288	288	ARG	1	0.909	0.953	17.132	15.235	15.235	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.888	-0.951	19.985	-11.921	-11.921	0.000	0.000	0.000	0.000
290	290	PHE	0	-0.015	-0.002	19.879	0.604	0.604	0.000	0.000	0.000	0.000
291	291	ARG	1	0.843	0.894	17.814	15.188	15.188	0.000	0.000	0.000	0.000
292	292	SER	0	-0.069	-0.037	22.711	0.630	0.630	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.027	-0.015	25.150	0.507	0.507	0.000	0.000	0.000	0.000
294	294	SER	0	-0.033	0.011	25.647	0.494	0.494	0.000	0.000	0.000	0.000
295	295	SER	0	-0.033	-0.012	21.669	0.264	0.264	0.000	0.000	0.000	0.000
296	296	ARG	1	0.950	0.963	24.730	10.053	10.053	0.000	0.000	0.000	0.000
297	297	VAL	0	0.044	0.008	24.107	0.079	0.079	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.021	0.003	17.072	-0.415	-0.415	0.000	0.000	0.000	0.000
299	299	ILE	0	0.016	0.008	17.871	0.134	0.134	0.000	0.000	0.000	0.000
300	300	THR	0	0.000	-0.022	15.047	-1.266	-1.266	0.000	0.000	0.000	0.000
301	301	THR	0	0.033	0.020	10.940	1.117	1.117	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.783	-0.900	13.721	-16.542	-16.542	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.039	0.005	8.364	0.248	0.248	0.000	0.000	0.000	0.000
304	304	LEU	0	0.004	-0.017	11.603	0.424	0.424	0.000	0.000	0.000	0.000
305	305	ALA	0	-0.001	0.002	14.898	1.137	1.137	0.000	0.000	0.000	0.000
306	306	ARG	1	0.823	0.894	14.459	16.271	16.271	0.000	0.000	0.000	0.000
307	307	GLY	0	0.040	0.025	16.090	-0.519	-0.519	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.064	-0.032	14.800	0.580	0.580	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.877	-0.928	18.466	-11.295	-11.295	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.008	-0.003	20.442	0.033	0.033	0.000	0.000	0.000	0.000
311	311	GLN	0	0.026	-0.002	23.182	0.412	0.412	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.009	-0.013	26.277	0.163	0.163	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.009	0.014	23.311	0.259	0.259	0.000	0.000	0.000	0.000
314	314	SER	0	0.050	0.033	26.794	0.064	0.064	0.000	0.000	0.000	0.000
315	315	LEU	0	0.026	0.012	27.927	0.016	0.016	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.026	-0.007	23.113	-0.461	-0.461	0.000	0.000	0.000	0.000
317	317	ILE	0	0.018	-0.001	24.436	0.446	0.446	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.023	-0.010	22.903	-1.215	-1.215	0.000	0.000	0.000	0.000
319	319	TYR	0	0.087	0.029	22.305	0.513	0.513	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.783	-0.870	19.921	-13.992	-13.992	0.000	0.000	0.000	0.000
321	321	LEU	0	0.029	0.018	22.492	-0.193	-0.193	0.000	0.000	0.000	0.000
322	322	PRO	0	0.009	0.034	20.575	-0.258	-0.258	0.000	0.000	0.000	0.000
323	323	THR	0	-0.003	-0.027	21.535	0.488	0.488	0.000	0.000	0.000	0.000
324	324	ASN	0	0.014	0.017	19.852	0.377	0.377	0.000	0.000	0.000	0.000
325	325	ARG	1	0.971	0.992	21.843	11.290	11.290	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.863	-0.925	20.864	-12.213	-12.213	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.012	-0.016	17.256	0.370	0.370	0.000	0.000	0.000	0.000
328	328	TYR	0	-0.006	-0.012	20.020	-0.209	-0.209	0.000	0.000	0.000	0.000
329	329	ILE	0	0.018	0.006	23.321	0.083	0.083	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.055	-0.036	19.205	0.083	0.083	0.000	0.000	0.000	0.000
331	331	ARG	1	0.803	0.883	18.010	15.081	15.081	0.000	0.000	0.000	0.000
332	332	ILE	0	0.013	0.006	21.234	0.093	0.093	0.000	0.000	0.000	0.000
333	333	GLY	0	0.021	0.016	24.125	0.312	0.312	0.000	0.000	0.000	0.000
334	334	ARG	1	0.771	0.887	18.912	13.739	13.739	0.000	0.000	0.000	0.000
335	335	GLY	0	0.010	0.017	22.908	-0.012	-0.012	0.000	0.000	0.000	0.000
336	336	GLY	0	0.003	-0.012	26.486	0.054	0.054	0.000	0.000	0.000	0.000
337	337	ARG	1	0.751	0.904	24.855	11.636	11.636	0.000	0.000	0.000	0.000
338	338	PHE	0	0.028	-0.003	28.397	0.348	0.348	0.000	0.000	0.000	0.000
339	339	GLY	0	0.017	0.012	30.684	0.041	0.041	0.000	0.000	0.000	0.000
340	340	ARG	1	0.844	0.934	30.970	9.908	9.908	0.000	0.000	0.000	0.000
341	341	LYS	1	0.883	0.933	32.800	8.022	8.022	0.000	0.000	0.000	0.000
342	342	GLY	0	0.082	0.023	30.964	-0.269	-0.269	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.045	-0.005	30.322	0.245	0.245	0.000	0.000	0.000	0.000
344	344	ALA	0	0.006	0.000	27.968	-0.415	-0.415	0.000	0.000	0.000	0.000
345	345	ILE	0	0.010	0.009	28.432	0.323	0.323	0.000	0.000	0.000	0.000
346	346	ASN	0	0.018	0.002	27.623	-0.836	-0.836	0.000	0.000	0.000	0.000
347	347	MET	0	-0.015	-0.005	27.374	0.234	0.234	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.022	-0.002	28.440	-0.273	-0.273	0.000	0.000	0.000	0.000
349	349	THR	0	-0.036	-0.038	28.489	0.364	0.364	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.851	-0.944	31.264	-8.294	-8.294	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.949	-0.973	29.019	-9.694	-9.694	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.853	-0.896	27.128	-11.218	-11.218	0.000	0.000	0.000	0.000
353	353	LYS	1	0.897	0.942	29.874	8.466	8.466	0.000	0.000	0.000	0.000
354	354	ARG	1	0.812	0.910	31.154	9.267	9.267	0.000	0.000	0.000	0.000
355	355	THR	0	0.049	0.008	26.249	0.149	0.149	0.000	0.000	0.000	0.000
356	356	LEU	0	0.029	0.024	29.617	-0.097	-0.097	0.000	0.000	0.000	0.000
357	357	ARG	1	0.990	0.996	31.702	8.402	8.402	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.871	-0.927	30.151	-9.495	-9.495	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.055	-0.020	26.594	-0.068	-0.068	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.843	-0.920	30.079	-8.440	-8.440	0.000	0.000	0.000	0.000
361	361	THR	0	-0.066	-0.036	33.636	0.264	0.264	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.083	-0.049	27.240	0.140	0.140	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.006	-0.043	24.828	0.049	0.049	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.038	-0.003	31.679	0.014	0.014	0.000	0.000	0.000	0.000
365	365	THR	0	0.000	0.009	32.150	0.166	0.166	0.000	0.000	0.000	0.000
366	366	SER	0	-0.029	-0.021	35.474	-0.003	-0.003	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.066	-0.029	31.057	-0.188	-0.188	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.854	-0.911	35.288	-7.750	-7.750	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.934	-0.970	36.515	-7.720	-7.720	0.000	0.000	0.000	0.000
370	370	MET	0	-0.057	-0.028	34.740	-0.056	-0.056	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.029	-0.019	37.168	0.164	0.164	0.000	0.000	0.000	0.000
372	372	LEU	0	-0.009	0.006	39.710	-0.080	-0.080	0.000	0.000	0.000	0.000
373	373	ASN	0	0.025	-0.007	40.055	-0.166	-0.166	0.000	0.000	0.000	0.000
374	374	VAL	0	0.024	0.014	34.795	0.050	0.050	0.000	0.000	0.000	0.000
375	375	ALA	0	0.030	0.008	36.014	-0.101	-0.101	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.973	-0.975	36.985	-7.272	-7.272	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.063	-0.025	36.982	0.076	0.076	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.903	-0.928	32.501	-8.443	-8.443	0.000	0.000	0.000	0.000
379	379	A	0	-0.369	-0.297	21.639	0.107	0.107	0.000	0.000	0.000	0.000
380	379	A	-1	-0.510	-0.616	16.158	-15.828	-15.828	0.000	0.000	0.000	0.000
381	380	G	0	-0.377	-0.313	19.126	-0.299	-0.299	0.000	0.000	0.000	0.000
382	380	G	-1	-0.528	-0.639	15.517	-17.326	-17.326	0.000	0.000	0.000	0.000
383	381	A	0	-0.378	-0.316	16.844	-0.081	-0.081	0.000	0.000	0.000	0.000
384	381	A	-1	-0.606	-0.668	13.375	-20.094	-20.094	0.000	0.000	0.000	0.000
385	382	G	0	-0.360	-0.310	13.267	-0.536	-0.536	0.000	0.000	0.000	0.000
386	382	G	-1	-0.511	-0.652	10.327	-24.398	-24.398	0.000	0.000	0.000	0.000
387	383	A	0	-0.354	-0.302	9.376	-0.075	-0.075	0.000	0.000	0.000	0.000
388	383	A	-1	-0.490	-0.606	6.574	-30.292	-30.292	0.000	0.000	0.000	0.000
389	384	A	0	-0.360	-0.304	6.094	-1.379	-1.379	0.000	0.000	0.000	0.000
396	387	G	-1	-0.625	-0.678	7.814	-25.028	-25.028	0.000	0.000	0.000	0.000
397	388	G	0	-0.311	-0.279	7.279	-4.392	-4.392	0.000	0.000	0.000	0.000
398	388	G	0	0.260	0.241	11.921	1.331	1.331	0.000	0.000	0.000	0.000

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