FMO DATABASE

FMODB ID: 495ZN

Calculation Name: 6XKI-A-MD433-100ns

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	-7609375.714931
FMO2-HF: Nuclear repulsion	7440171.507698
FMO2-HF: Total energy	-169204.207233
FMO2-MP2: Total energy	-169681.91219

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.
-281.330230	-233.342221	54.704554	-23.279254	-79.413308	0.095387

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.
-47.42	-14.368	33.694	-14.113	-52.632	-0.035

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 : -0.052 / q_NPA : -0.011

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	0.020	-0.004	3.586	-0.748	0.031	0.122	-0.189	-0.712	0.000
132	132	GLY	0	0.052	0.027	2.353	-3.146	-0.257	3.995	-3.382	-3.502	-0.002
133	133	ARG	1	0.811	0.865	2.655	-0.504	-0.831	0.725	1.825	-2.223	-0.018
134	134	VAL	0	0.014	0.005	5.214	-0.495	-0.366	-0.001	-0.010	-0.117	0.000
135	135	PHE	0	0.047	0.015	2.362	-10.875	-5.559	10.689	-3.732	-12.274	0.006
136	136	ASP	-1	-0.751	-0.820	2.514	-5.626	-2.965	0.883	-1.258	-2.286	0.003
137	137	MET	0	-0.012	-0.004	3.179	0.312	0.207	0.042	0.397	-0.335	0.000
139	139	ASN	0	-0.110	-0.060	2.691	-0.720	0.619	0.818	-0.475	-1.682	-0.002
140	140	ARG	1	0.765	0.857	4.735	0.966	1.116	-0.001	-0.005	-0.143	0.000
166	166	ASP	-1	-0.926	-0.970	4.178	-0.352	-0.251	-0.001	-0.015	-0.085	0.000
167	167	GLN	0	0.001	0.001	2.486	-7.882	-2.468	5.045	-2.681	-7.778	0.002
168	168	ILE	0	0.017	0.000	3.702	-1.779	-1.799	-0.004	0.562	-0.538	0.000
170	170	ASP	-1	-0.880	-0.931	3.201	-1.643	-0.500	0.036	-0.409	-0.770	-0.003
171	171	ILE	0	-0.068	-0.035	3.970	-0.181	0.315	0.005	-0.052	-0.449	0.000
391	385	A	-1	-0.480	-0.586	2.547	-2.610	-0.588	0.452	-0.845	-1.628	-0.005
392	385	A	0	-0.299	-0.276	2.787	-3.641	-1.865	0.773	-0.793	-1.756	-0.010
393	386	G	-1	-0.560	-0.665	2.421	-0.721	0.615	1.590	-0.917	-2.008	0.006
394	386	G	0	-0.378	-0.309	2.360	-7.697	0.019	8.527	-2.121	-14.123	-0.012
398	388	G	0	-0.349	-0.278	4.747	-1.228	-0.991	-0.001	-0.013	-0.223	0.000
1	1	GLU	0	-0.091	-0.058	35.712	0.001	0.001	0.000	0.000	0.000	0.000
2	2	ILE	0	0.029	0.009	35.916	0.000	0.000	0.000	0.000	0.000	0.000
3	3	VAL	0	0.023	0.018	35.610	-0.001	-0.001	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.873	-0.916	35.741	-0.003	-0.003	0.000	0.000	0.000	0.000
5	5	SER	0	0.004	-0.024	37.773	-0.002	-0.002	0.000	0.000	0.000	0.000
6	6	PHE	0	0.029	-0.011	33.655	0.001	0.001	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.863	-0.932	37.027	-0.006	-0.006	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.874	-0.925	39.326	-0.002	-0.002	0.000	0.000	0.000	0.000
9	9	MET	0	-0.166	-0.089	33.031	0.001	0.001	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.086	-0.032	34.789	-0.001	-0.001	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.027	-0.004	31.891	-0.001	-0.001	0.000	0.000	0.000	0.000
12	12	SER	0	0.022	0.012	33.423	0.000	0.000	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.873	-0.939	35.367	-0.016	-0.016	0.000	0.000	0.000	0.000
14	14	SER	0	-0.030	-0.029	34.890	-0.001	-0.001	0.000	0.000	0.000	0.000
15	15	LEU	0	0.040	0.025	29.663	-0.002	-0.002	0.000	0.000	0.000	0.000
16	16	LEU	0	0.005	0.004	33.017	0.000	0.000	0.000	0.000	0.000	0.000
17	17	ARG	1	0.915	0.954	35.822	0.023	0.023	0.000	0.000	0.000	0.000
18	18	GLY	0	0.046	0.037	32.296	-0.001	-0.001	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.035	-0.021	32.142	-0.001	-0.001	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.017	-0.023	33.563	0.000	0.000	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.034	-0.003	33.754	0.000	0.000	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.046	-0.035	27.034	0.000	0.000	0.000	0.000	0.000	0.000
23	23	GLY	0	0.014	0.014	32.033	-0.001	-0.001	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.062	-0.026	29.205	0.001	0.001	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.868	-0.935	32.975	-0.016	-0.016	0.000	0.000	0.000	0.000
26	26	LYS	1	0.847	0.921	34.275	0.006	0.006	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.002	0.011	32.362	0.000	0.000	0.000	0.000	0.000	0.000
28	28	SER	0	0.079	0.042	31.332	0.001	0.001	0.000	0.000	0.000	0.000
29	29	ALA	0	0.003	-0.009	32.951	0.001	0.001	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.008	-0.006	27.030	0.001	0.001	0.000	0.000	0.000	0.000
31	31	GLN	0	0.028	-0.004	27.098	0.003	0.003	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.040	-0.025	30.065	0.001	0.001	0.000	0.000	0.000	0.000
33	33	ARG	1	0.908	0.957	31.228	-0.009	-0.009	0.000	0.000	0.000	0.000
34	34	ALA	0	0.022	0.011	26.239	0.001	0.001	0.000	0.000	0.000	0.000
35	35	ILE	0	0.053	0.036	27.409	0.001	0.001	0.000	0.000	0.000	0.000
36	36	LEU	0	0.037	0.022	28.445	0.000	0.000	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.023	-0.023	27.547	0.000	0.000	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.013	0.000	24.401	0.002	0.002	0.000	0.000	0.000	0.000
39	39	ILE	0	0.021	0.021	25.306	-0.001	-0.001	0.000	0.000	0.000	0.000
40	40	LYS	1	0.887	0.936	27.906	-0.004	-0.004	0.000	0.000	0.000	0.000
41	41	GLY	0	0.046	0.039	25.022	0.000	0.000	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.046	-0.021	24.313	0.003	0.003	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.702	-0.818	20.379	0.030	0.030	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.037	-0.024	21.510	0.000	0.000	0.000	0.000	0.000	0.000
45	45	ILE	0	-0.001	0.002	19.979	0.002	0.002	0.000	0.000	0.000	0.000
46	46	ALA	0	0.018	0.002	22.280	-0.002	-0.002	0.000	0.000	0.000	0.000
47	47	GLN	0	0.044	0.013	23.321	0.001	0.001	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.038	-0.028	24.188	-0.003	-0.003	0.000	0.000	0.000	0.000
49	49	GLN	0	0.021	0.005	24.791	-0.003	-0.003	0.000	0.000	0.000	0.000
50	50	SER	0	0.037	0.018	25.986	-0.003	-0.003	0.000	0.000	0.000	0.000
51	51	GLY	0	0.003	0.004	26.924	0.001	0.001	0.000	0.000	0.000	0.000
52	52	THR	0	-0.009	-0.004	27.677	0.001	0.001	0.000	0.000	0.000	0.000
53	53	GLY	0	0.069	0.044	26.768	0.000	0.000	0.000	0.000	0.000	0.000
54	54	LYS	1	0.777	0.859	19.509	0.010	0.010	0.000	0.000	0.000	0.000
55	55	THR	0	0.017	0.003	20.422	0.001	0.001	0.000	0.000	0.000	0.000
56	56	ALA	0	0.069	0.031	22.450	0.001	0.001	0.000	0.000	0.000	0.000
57	57	THR	0	-0.016	-0.002	24.443	0.002	0.002	0.000	0.000	0.000	0.000
58	58	PHE	0	0.041	0.022	18.516	0.002	0.002	0.000	0.000	0.000	0.000
59	59	ALA	0	0.003	0.010	22.759	-0.001	-0.001	0.000	0.000	0.000	0.000
60	60	ILE	0	0.038	0.019	23.778	-0.001	-0.001	0.000	0.000	0.000	0.000
61	61	SER	0	-0.028	-0.036	24.413	0.001	0.001	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.030	-0.009	19.516	0.001	0.001	0.000	0.000	0.000	0.000
63	63	LEU	0	0.006	-0.009	23.812	-0.001	-0.001	0.000	0.000	0.000	0.000
64	64	GLN	0	0.039	0.026	26.515	-0.002	-0.002	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.069	-0.043	24.750	0.001	0.001	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.057	-0.021	22.484	-0.001	-0.001	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.893	-0.940	26.332	-0.024	-0.024	0.000	0.000	0.000	0.000
68	68	LEU	0	0.015	-0.012	27.517	-0.004	-0.004	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.939	-0.942	29.680	-0.034	-0.034	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.053	-0.037	25.186	-0.001	-0.001	0.000	0.000	0.000	0.000
71	71	LYS	1	0.871	0.946	23.841	0.081	0.081	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.004	-0.015	20.963	-0.008	-0.008	0.000	0.000	0.000	0.000
73	73	THR	0	-0.035	-0.011	16.223	0.002	0.002	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.039	-0.033	19.532	0.006	0.006	0.000	0.000	0.000	0.000
75	75	ALA	0	0.000	0.003	18.025	0.008	0.008	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.023	0.000	10.140	-0.011	-0.011	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.006	-0.006	14.181	0.011	0.011	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.024	-0.012	7.833	0.005	0.005	0.000	0.000	0.000	0.000
79	79	ALA	0	0.050	0.010	10.699	-0.001	-0.001	0.000	0.000	0.000	0.000
80	80	PRO	0	-0.001	0.001	9.508	-0.023	-0.023	0.000	0.000	0.000	0.000
81	81	THR	0	0.025	0.002	9.140	-0.100	-0.100	0.000	0.000	0.000	0.000
82	82	ARG	1	0.851	0.890	7.609	0.691	0.691	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.787	-0.883	11.700	-0.168	-0.168	0.000	0.000	0.000	0.000
84	84	LEU	0	0.002	0.015	14.083	0.023	0.023	0.000	0.000	0.000	0.000
85	85	ALA	0	-0.012	-0.010	12.027	0.019	0.019	0.000	0.000	0.000	0.000
86	86	GLN	0	0.021	-0.006	14.191	0.011	0.011	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.048	-0.022	16.941	0.003	0.003	0.000	0.000	0.000	0.000
88	88	ILE	0	0.020	0.000	15.432	0.007	0.007	0.000	0.000	0.000	0.000
89	89	GLN	0	0.035	0.008	17.891	0.001	0.001	0.000	0.000	0.000	0.000
90	90	LYS	1	0.910	0.957	19.682	0.077	0.077	0.000	0.000	0.000	0.000
91	91	VAL	0	0.010	0.019	22.614	0.003	0.003	0.000	0.000	0.000	0.000
92	92	VAL	0	-0.004	-0.010	20.514	0.003	0.003	0.000	0.000	0.000	0.000
93	93	MET	0	-0.040	-0.035	22.769	-0.001	-0.001	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.004	0.022	25.395	0.001	0.001	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.024	-0.015	26.264	0.002	0.002	0.000	0.000	0.000	0.000
96	96	GLY	0	0.019	-0.002	27.666	0.002	0.002	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.949	-0.961	28.692	-0.040	-0.040	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.025	-0.034	31.313	0.000	0.000	0.000	0.000	0.000	0.000
99	99	MET	0	-0.074	-0.019	29.786	0.001	0.001	0.000	0.000	0.000	0.000
100	100	GLY	0	0.012	0.028	31.200	0.001	0.001	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.019	-0.003	26.395	-0.001	-0.001	0.000	0.000	0.000	0.000
102	102	SER	0	-0.043	-0.056	23.261	-0.002	-0.002	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.081	-0.040	19.496	0.002	0.002	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.041	-0.024	13.741	0.003	0.003	0.000	0.000	0.000	0.000
105	105	ALA	0	0.038	0.012	14.570	0.009	0.009	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.080	-0.021	9.654	-0.020	-0.020	0.000	0.000	0.000	0.000
107	107	ILE	0	0.012	0.004	9.333	0.019	0.019	0.000	0.000	0.000	0.000
108	108	GLY	0	0.033	0.029	7.861	0.046	0.046	0.000	0.000	0.000	0.000
109	109	GLY	0	0.032	0.008	8.592	-0.042	-0.042	0.000	0.000	0.000	0.000
110	110	THR	0	-0.050	-0.018	11.013	0.019	0.019	0.000	0.000	0.000	0.000
111	111	ASN	0	-0.004	-0.010	11.967	-0.003	-0.003	0.000	0.000	0.000	0.000
112	112	VAL	0	0.114	0.073	9.544	0.003	0.003	0.000	0.000	0.000	0.000
113	113	ARG	1	0.953	0.964	12.113	0.243	0.243	0.000	0.000	0.000	0.000
114	114	ALA	0	0.018	0.000	14.907	0.002	0.002	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.745	-0.849	10.273	-0.119	-0.119	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.014	-0.016	10.823	-0.001	-0.001	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.007	0.000	13.313	0.020	0.020	0.000	0.000	0.000	0.000
118	118	LYS	1	0.930	0.971	16.430	0.114	0.114	0.000	0.000	0.000	0.000
119	119	LEU	0	0.003	-0.010	11.341	0.013	0.013	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.097	-0.046	13.922	0.018	0.018	0.000	0.000	0.000	0.000
121	121	MET	0	-0.048	-0.022	18.079	0.017	0.017	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.894	-0.924	20.318	-0.067	-0.067	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.043	-0.009	18.808	0.008	0.008	0.000	0.000	0.000	0.000
124	124	PRO	0	0.016	0.017	17.917	0.008	0.008	0.000	0.000	0.000	0.000
125	125	HIS	0	0.124	0.062	19.460	-0.004	-0.004	0.000	0.000	0.000	0.000
126	126	ILE	0	0.008	0.009	18.390	0.004	0.004	0.000	0.000	0.000	0.000
127	127	ILE	0	0.002	0.006	12.992	-0.008	-0.008	0.000	0.000	0.000	0.000
128	128	VAL	0	0.011	0.008	13.420	0.013	0.013	0.000	0.000	0.000	0.000
129	129	GLY	0	0.017	-0.012	10.325	-0.016	-0.016	0.000	0.000	0.000	0.000
130	130	THR	0	0.005	-0.005	6.379	0.024	0.024	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.007	0.007	6.663	0.060	0.060	0.000	0.000	0.000	0.000
141	141	ARG	1	0.880	0.947	6.700	0.359	0.359	0.000	0.000	0.000	0.000
142	142	TYR	0	0.006	0.002	9.124	0.045	0.045	0.000	0.000	0.000	0.000
143	143	LEU	0	0.055	0.036	9.936	0.065	0.065	0.000	0.000	0.000	0.000
144	144	SER	0	-0.003	-0.011	11.338	-0.011	-0.011	0.000	0.000	0.000	0.000
145	145	PRO	0	0.069	0.014	12.518	0.016	0.016	0.000	0.000	0.000	0.000
146	146	LYS	1	0.844	0.943	15.363	0.065	0.065	0.000	0.000	0.000	0.000
147	147	TYR	0	0.050	0.004	18.558	0.008	0.008	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.033	0.012	14.431	0.003	0.003	0.000	0.000	0.000	0.000
149	149	LYS	1	0.910	0.962	18.059	0.023	0.023	0.000	0.000	0.000	0.000
150	150	MET	0	-0.028	0.002	18.305	0.005	0.005	0.000	0.000	0.000	0.000
151	151	PHE	0	0.012	-0.007	9.041	-0.011	-0.011	0.000	0.000	0.000	0.000
152	152	VAL	0	0.011	-0.003	14.876	0.006	0.006	0.000	0.000	0.000	0.000
153	153	LEU	0	-0.002	0.002	11.072	0.007	0.007	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.788	-0.893	14.395	-0.016	-0.016	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.827	-0.911	14.418	-0.008	-0.008	0.000	0.000	0.000	0.000
156	156	ALA	0	-0.001	-0.015	14.606	0.012	0.012	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.778	-0.831	14.900	0.054	0.054	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.835	-0.919	12.275	0.044	0.044	0.000	0.000	0.000	0.000
159	159	MET	0	-0.057	-0.006	8.164	0.034	0.034	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.027	-0.020	10.443	0.080	0.080	0.000	0.000	0.000	0.000
161	161	SER	0	0.052	0.025	11.017	-0.002	-0.002	0.000	0.000	0.000	0.000
162	162	ARG	1	0.729	0.808	10.403	-0.105	-0.105	0.000	0.000	0.000	0.000
163	163	GLY	0	0.077	0.060	8.150	0.075	0.075	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.018	-0.003	5.614	0.286	0.286	0.000	0.000	0.000	0.000
165	165	LYS	1	0.924	0.973	7.054	0.065	0.065	0.000	0.000	0.000	0.000
169	169	TYR	0	0.028	0.006	6.487	-0.195	-0.195	0.000	0.000	0.000	0.000
172	172	PHE	0	-0.030	-0.023	5.871	0.167	0.167	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.013	-0.004	8.043	0.154	0.154	0.000	0.000	0.000	0.000
174	174	LYS	1	0.866	0.942	6.772	-0.153	-0.153	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.020	0.006	10.011	-0.006	-0.006	0.000	0.000	0.000	0.000
176	176	ASN	0	0.032	0.033	12.565	0.029	0.029	0.000	0.000	0.000	0.000
177	177	SER	0	0.046	0.029	16.074	-0.006	-0.006	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.061	-0.052	17.009	0.001	0.001	0.000	0.000	0.000	0.000
179	179	THR	0	-0.044	-0.016	15.164	-0.008	-0.008	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.001	0.003	17.619	0.004	0.004	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.020	-0.017	14.961	-0.003	-0.003	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.014	-0.010	17.306	0.001	0.001	0.000	0.000	0.000	0.000
183	183	LEU	0	-0.012	-0.003	15.051	0.004	0.004	0.000	0.000	0.000	0.000
184	184	LEU	0	0.010	0.001	18.114	-0.005	-0.005	0.000	0.000	0.000	0.000
185	185	SER	0	-0.044	-0.049	18.614	-0.002	-0.002	0.000	0.000	0.000	0.000
186	186	ALA	0	0.059	0.048	20.642	0.001	0.001	0.000	0.000	0.000	0.000
187	187	THR	0	0.005	0.011	20.148	-0.002	-0.002	0.000	0.000	0.000	0.000
188	188	MET	0	-0.046	-0.027	19.695	0.003	0.003	0.000	0.000	0.000	0.000
189	189	PRO	0	0.019	0.024	20.359	-0.001	-0.001	0.000	0.000	0.000	0.000
190	190	SER	0	0.019	-0.007	21.249	0.004	0.004	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.907	-0.943	20.624	0.067	0.067	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.045	-0.016	15.982	0.008	0.008	0.000	0.000	0.000	0.000
193	193	LEU	0	0.035	0.001	16.607	0.011	0.011	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.794	-0.843	18.745	0.069	0.069	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.048	-0.027	12.326	0.000	0.000	0.000	0.000	0.000	0.000
196	196	THR	0	-0.024	-0.045	15.595	-0.005	-0.005	0.000	0.000	0.000	0.000
197	197	LYS	1	0.827	0.898	16.978	-0.072	-0.072	0.000	0.000	0.000	0.000
198	198	LYS	1	0.881	0.953	10.565	-0.098	-0.098	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.018	-0.020	12.783	0.001	0.001	0.000	0.000	0.000	0.000
200	200	MET	0	-0.053	0.008	15.583	-0.004	-0.004	0.000	0.000	0.000	0.000
201	201	ARG	1	0.740	0.832	17.588	-0.032	-0.032	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.977	-0.980	21.926	0.035	0.035	0.000	0.000	0.000	0.000
203	203	PRO	0	0.012	0.016	20.792	-0.003	-0.003	0.000	0.000	0.000	0.000
204	204	ILE	0	0.026	0.005	23.545	0.000	0.000	0.000	0.000	0.000	0.000
205	205	ARG	1	0.932	0.968	24.080	-0.038	-0.038	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.031	-0.013	26.115	-0.002	-0.002	0.000	0.000	0.000	0.000
207	207	LEU	0	0.009	-0.005	24.442	-0.001	-0.001	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.012	-0.007	28.082	-0.003	-0.003	0.000	0.000	0.000	0.000
209	209	LYS	1	0.953	0.977	29.144	-0.016	-0.016	0.000	0.000	0.000	0.000
210	210	LYS	1	0.939	0.963	26.689	-0.033	-0.033	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.945	-0.972	30.175	0.014	0.014	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.922	-0.956	32.589	0.008	0.008	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.105	-0.041	26.459	-0.001	-0.001	0.000	0.000	0.000	0.000
214	214	THR	0	-0.004	-0.003	29.954	-0.003	-0.003	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.011	-0.005	28.049	-0.001	-0.001	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.896	-0.946	32.157	-0.001	-0.001	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.096	-0.041	34.514	0.000	0.000	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.029	-0.019	30.728	0.000	0.000	0.000	0.000	0.000	0.000
219	219	ARG	1	0.969	0.995	34.211	0.011	0.011	0.000	0.000	0.000	0.000
220	220	GLN	0	0.054	0.030	31.987	-0.001	-0.001	0.000	0.000	0.000	0.000
221	221	PHE	0	0.040	0.015	34.826	0.001	0.001	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.029	-0.016	34.470	-0.001	-0.001	0.000	0.000	0.000	0.000
223	223	ILE	0	0.048	0.021	35.639	0.000	0.000	0.000	0.000	0.000	0.000
224	224	ASN	0	0.014	0.006	36.432	0.000	0.000	0.000	0.000	0.000	0.000
225	225	VAL	0	0.011	0.001	35.374	-0.001	-0.001	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.925	-0.942	38.560	0.004	0.004	0.000	0.000	0.000	0.000
227	227	ARG	1	0.862	0.906	36.715	0.003	0.003	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.717	-0.845	29.722	-0.010	-0.010	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.961	-0.984	33.736	-0.007	-0.007	0.000	0.000	0.000	0.000
230	230	TRP	0	0.038	0.022	35.569	-0.001	-0.001	0.000	0.000	0.000	0.000
231	231	LYS	1	0.826	0.912	28.441	0.010	0.010	0.000	0.000	0.000	0.000
232	232	LEU	0	-0.006	-0.007	32.221	-0.002	-0.002	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.806	-0.904	34.278	-0.013	-0.013	0.000	0.000	0.000	0.000
234	234	THR	0	0.025	0.018	36.669	0.000	0.000	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.035	-0.017	31.065	-0.001	-0.001	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.096	-0.062	35.248	-0.002	-0.002	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.892	-0.928	37.777	-0.012	-0.012	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.041	-0.021	35.574	0.000	0.000	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.040	-0.032	32.055	-0.002	-0.002	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.870	-0.934	37.030	-0.022	-0.022	0.000	0.000	0.000	0.000
241	241	THR	0	-0.060	-0.027	36.657	-0.001	-0.001	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.013	-0.011	32.849	-0.001	-0.001	0.000	0.000	0.000	0.000
243	243	THR	0	-0.098	-0.057	36.100	-0.001	-0.001	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.037	-0.012	38.307	0.000	0.000	0.000	0.000	0.000	0.000
245	245	THR	0	-0.017	-0.008	33.906	0.000	0.000	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.007	-0.003	28.668	0.000	0.000	0.000	0.000	0.000	0.000
247	247	ALA	0	-0.017	-0.009	30.216	0.001	0.001	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.001	-0.001	23.780	-0.004	-0.004	0.000	0.000	0.000	0.000
249	249	ILE	0	-0.007	-0.003	25.787	0.006	0.006	0.000	0.000	0.000	0.000
250	250	PHE	0	0.024	0.014	19.956	-0.006	-0.006	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.050	-0.032	21.998	0.008	0.008	0.000	0.000	0.000	0.000
252	252	ASN	0	0.012	-0.013	20.196	-0.014	-0.014	0.000	0.000	0.000	0.000
253	253	THR	0	-0.016	0.000	18.564	0.001	0.001	0.000	0.000	0.000	0.000
254	254	ARG	1	0.944	0.947	10.632	0.277	0.277	0.000	0.000	0.000	0.000
255	255	ARG	1	0.958	0.995	18.528	0.019	0.019	0.000	0.000	0.000	0.000
256	256	LYS	1	0.770	0.849	21.506	0.016	0.016	0.000	0.000	0.000	0.000
257	257	VAL	0	0.061	0.027	20.181	0.003	0.003	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.932	-0.951	21.443	-0.055	-0.055	0.000	0.000	0.000	0.000
259	259	TRP	0	0.010	-0.002	23.320	0.006	0.006	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.028	-0.017	26.287	0.003	0.003	0.000	0.000	0.000	0.000
261	261	THR	0	-0.023	-0.030	24.975	0.001	0.001	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.909	-0.942	27.520	-0.038	-0.038	0.000	0.000	0.000	0.000
263	263	LYS	1	0.883	0.939	29.623	0.021	0.021	0.000	0.000	0.000	0.000
264	264	MET	0	-0.013	-0.017	31.200	0.003	0.003	0.000	0.000	0.000	0.000
265	265	HIS	0	0.030	0.023	31.326	-0.001	-0.001	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.053	-0.024	33.304	0.001	0.001	0.000	0.000	0.000	0.000
267	267	ARG	1	0.766	0.871	35.682	0.018	0.018	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.910	-0.937	37.020	-0.023	-0.023	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.018	-0.007	35.023	0.000	0.000	0.000	0.000	0.000	0.000
270	270	THR	0	-0.020	-0.012	32.375	-0.002	-0.002	0.000	0.000	0.000	0.000
271	271	VAL	0	0.011	0.003	28.107	0.001	0.001	0.000	0.000	0.000	0.000
272	272	SER	0	-0.018	0.002	25.959	-0.003	-0.003	0.000	0.000	0.000	0.000
273	273	ALA	0	0.045	0.013	22.388	0.003	0.003	0.000	0.000	0.000	0.000
274	274	MET	0	-0.016	-0.008	17.369	-0.009	-0.009	0.000	0.000	0.000	0.000
275	275	HIS	0	0.054	0.014	16.183	-0.011	-0.011	0.000	0.000	0.000	0.000
276	276	GLY	0	0.031	-0.005	12.098	-0.011	-0.011	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.031	-1.022	12.048	-0.224	-0.224	0.000	0.000	0.000	0.000
278	278	MET	0	-0.023	0.024	14.242	0.024	0.024	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.773	-0.877	14.415	-0.188	-0.188	0.000	0.000	0.000	0.000
280	280	GLN	0	0.027	0.018	12.951	-0.037	-0.037	0.000	0.000	0.000	0.000
281	281	LYS	1	0.793	0.882	14.974	0.149	0.149	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.866	-0.932	18.639	-0.089	-0.089	0.000	0.000	0.000	0.000
283	283	ARG	1	0.761	0.830	10.781	0.372	0.372	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.889	-0.929	17.771	-0.097	-0.097	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.042	-0.032	20.080	0.010	0.010	0.000	0.000	0.000	0.000
286	286	ILE	0	0.040	0.028	21.535	0.009	0.009	0.000	0.000	0.000	0.000
287	287	MET	0	0.029	0.012	19.344	0.009	0.009	0.000	0.000	0.000	0.000
288	288	ARG	1	0.788	0.882	21.981	0.092	0.092	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.860	-0.907	24.532	-0.049	-0.049	0.000	0.000	0.000	0.000
290	290	PHE	0	0.025	0.014	24.248	0.004	0.004	0.000	0.000	0.000	0.000
291	291	ARG	1	0.968	0.985	20.426	0.093	0.093	0.000	0.000	0.000	0.000
292	292	SER	0	-0.025	-0.013	25.778	0.004	0.004	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.011	-0.009	28.951	0.004	0.004	0.000	0.000	0.000	0.000
294	294	SER	0	-0.090	-0.040	30.623	0.004	0.004	0.000	0.000	0.000	0.000
295	295	SER	0	0.013	0.010	28.176	0.004	0.004	0.000	0.000	0.000	0.000
296	296	ARG	1	1.018	1.001	30.471	0.032	0.032	0.000	0.000	0.000	0.000
297	297	VAL	0	-0.017	-0.014	28.912	0.002	0.002	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.041	-0.001	21.780	-0.004	-0.004	0.000	0.000	0.000	0.000
299	299	ILE	0	0.016	0.014	23.518	0.003	0.003	0.000	0.000	0.000	0.000
300	300	THR	0	-0.019	-0.039	19.056	-0.016	-0.016	0.000	0.000	0.000	0.000
301	301	THR	0	0.026	0.000	15.540	0.015	0.015	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.819	-0.913	15.633	-0.043	-0.043	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.051	-0.003	12.537	-0.006	-0.006	0.000	0.000	0.000	0.000
304	304	LEU	0	0.009	-0.008	14.861	-0.001	-0.001	0.000	0.000	0.000	0.000
305	305	ALA	0	0.008	0.012	17.534	0.015	0.015	0.000	0.000	0.000	0.000
306	306	ARG	1	0.769	0.856	15.418	0.009	0.009	0.000	0.000	0.000	0.000
307	307	GLY	0	0.034	0.016	17.848	-0.012	-0.012	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.032	-0.011	16.954	0.003	0.003	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.880	-0.916	20.711	-0.030	-0.030	0.000	0.000	0.000	0.000
310	310	VAL	0	0.022	0.015	24.130	-0.003	-0.003	0.000	0.000	0.000	0.000
311	311	GLN	0	-0.013	-0.019	26.653	0.002	0.002	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.047	-0.020	30.016	0.003	0.003	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.014	0.008	26.925	0.002	0.002	0.000	0.000	0.000	0.000
314	314	SER	0	-0.093	-0.068	30.302	0.003	0.003	0.000	0.000	0.000	0.000
315	315	LEU	0	0.044	0.028	31.934	0.001	0.001	0.000	0.000	0.000	0.000
316	316	VAL	0	0.001	0.003	26.632	-0.004	-0.004	0.000	0.000	0.000	0.000
317	317	ILE	0	0.003	-0.004	28.487	0.004	0.004	0.000	0.000	0.000	0.000
318	318	ASN	0	0.013	0.002	25.525	-0.008	-0.008	0.000	0.000	0.000	0.000
319	319	TYR	0	0.057	0.019	27.203	0.004	0.004	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.763	-0.858	24.509	-0.016	-0.016	0.000	0.000	0.000	0.000
321	321	LEU	0	0.023	0.016	25.738	-0.003	-0.003	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.011	0.028	22.125	0.001	0.001	0.000	0.000	0.000	0.000
323	323	THR	0	0.044	-0.002	21.139	0.003	0.003	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.020	-0.005	18.751	-0.001	-0.001	0.000	0.000	0.000	0.000
325	325	ARG	1	0.995	0.996	21.140	-0.029	-0.029	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.859	-0.928	20.233	0.035	0.035	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.011	-0.017	17.941	-0.004	-0.004	0.000	0.000	0.000	0.000
328	328	TYR	0	0.013	0.003	20.551	-0.008	-0.008	0.000	0.000	0.000	0.000
329	329	ILE	0	0.011	0.008	24.139	-0.004	-0.004	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.058	-0.028	20.479	-0.009	-0.009	0.000	0.000	0.000	0.000
331	331	ARG	1	0.845	0.906	20.044	0.026	0.026	0.000	0.000	0.000	0.000
332	332	ILE	0	0.031	0.011	23.287	-0.003	-0.003	0.000	0.000	0.000	0.000
333	333	GLY	0	-0.004	0.016	25.641	0.000	0.000	0.000	0.000	0.000	0.000
334	334	ARG	1	0.772	0.874	21.272	0.040	0.040	0.000	0.000	0.000	0.000
335	335	GLY	0	0.024	0.019	25.348	-0.002	-0.002	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.022	-0.027	29.179	0.001	0.001	0.000	0.000	0.000	0.000
337	337	ARG	1	0.760	0.887	26.631	0.032	0.032	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.009	-0.010	30.359	0.001	0.001	0.000	0.000	0.000	0.000
339	339	GLY	0	-0.012	0.001	32.454	0.001	0.001	0.000	0.000	0.000	0.000
340	340	ARG	1	0.812	0.892	33.855	0.023	0.023	0.000	0.000	0.000	0.000
341	341	LYS	1	0.915	0.947	34.447	0.009	0.009	0.000	0.000	0.000	0.000
342	342	GLY	0	0.090	0.059	33.928	0.000	0.000	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.027	-0.011	34.257	0.002	0.002	0.000	0.000	0.000	0.000
344	344	ALA	0	-0.005	-0.007	30.396	-0.003	-0.003	0.000	0.000	0.000	0.000
345	345	ILE	0	0.012	0.011	31.724	0.003	0.003	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.006	-0.010	29.731	-0.003	-0.003	0.000	0.000	0.000	0.000
347	347	MET	0	-0.018	-0.011	31.144	0.001	0.001	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.029	-0.012	31.751	0.001	0.001	0.000	0.000	0.000	0.000
349	349	THR	0	-0.033	-0.042	32.381	0.001	0.001	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.798	-0.900	34.840	0.009	0.009	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.928	-0.972	32.250	0.011	0.011	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.874	-0.900	29.988	0.003	0.003	0.000	0.000	0.000	0.000
353	353	LYS	1	0.836	0.902	32.087	-0.005	-0.005	0.000	0.000	0.000	0.000
354	354	ARG	1	0.795	0.896	31.917	-0.019	-0.019	0.000	0.000	0.000	0.000
355	355	THR	0	0.034	0.000	27.435	0.003	0.003	0.000	0.000	0.000	0.000
356	356	LEU	0	0.024	0.022	30.262	0.000	0.000	0.000	0.000	0.000	0.000
357	357	ARG	1	0.994	1.008	32.497	-0.011	-0.011	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.877	-0.918	29.466	0.023	0.023	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.034	-0.020	27.387	0.002	0.002	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.850	-0.929	29.921	0.007	0.007	0.000	0.000	0.000	0.000
361	361	THR	0	-0.081	-0.053	32.799	0.001	0.001	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.076	-0.039	24.860	0.003	0.003	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.029	-0.050	25.127	0.000	0.000	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.033	-0.001	31.553	0.000	0.000	0.000	0.000	0.000	0.000
365	365	THR	0	-0.029	-0.011	33.684	-0.001	-0.001	0.000	0.000	0.000	0.000
366	366	SER	0	-0.073	-0.050	35.728	0.001	0.001	0.000	0.000	0.000	0.000
367	367	ILE	0	0.006	0.003	32.450	-0.001	-0.001	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.875	-0.916	36.933	0.001	0.001	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.970	-0.993	38.779	-0.003	-0.003	0.000	0.000	0.000	0.000
370	370	MET	0	-0.043	-0.020	38.875	-0.001	-0.001	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.008	0.015	40.690	0.001	0.001	0.000	0.000	0.000	0.000
372	372	LEU	0	0.014	-0.010	42.834	-0.001	-0.001	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.084	-0.049	44.115	0.000	0.000	0.000	0.000	0.000	0.000
374	374	VAL	0	0.042	0.013	38.303	-0.001	-0.001	0.000	0.000	0.000	0.000
375	375	ALA	0	0.015	-0.010	40.370	-0.001	-0.001	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.882	-0.917	41.589	-0.013	-0.013	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.130	-0.073	40.255	0.000	0.000	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.727	-0.800	35.235	-0.021	-0.021	0.000	0.000	0.000	0.000
379	379	A	-1	-0.544	-0.635	13.845	0.184	0.184	0.000	0.000	0.000	0.000
380	379	A	0	-0.359	-0.296	18.272	-0.008	-0.008	0.000	0.000	0.000	0.000
381	380	G	-1	-0.551	-0.632	15.208	0.160	0.160	0.000	0.000	0.000	0.000
382	380	G	0	-0.357	-0.309	16.984	0.002	0.002	0.000	0.000	0.000	0.000
383	381	A	-1	-0.584	-0.664	16.600	0.055	0.055	0.000	0.000	0.000	0.000
384	381	A	0	-0.387	-0.318	15.926	-0.008	-0.008	0.000	0.000	0.000	0.000
385	382	G	-1	-0.507	-0.640	14.923	-0.058	-0.058	0.000	0.000	0.000	0.000
386	382	G	0	-0.333	-0.289	12.250	0.065	0.065	0.000	0.000	0.000	0.000
387	383	A	-1	-0.459	-0.580	10.642	-0.214	-0.214	0.000	0.000	0.000	0.000
388	383	A	0	-0.338	-0.302	8.792	-0.012	-0.012	0.000	0.000	0.000	0.000
389	384	G	-1	-0.452	-0.557	7.154	-0.459	-0.459	0.000	0.000	0.000	0.000
390	384	G	0	-0.387	-0.331	5.280	-0.292	-0.292	0.000	0.000	0.000	0.000
395	387	A	-1	-0.616	-0.691	5.585	-0.345	-0.345	0.000	0.000	0.000	0.000
396	387	A	0	-0.331	-0.286	5.450	-0.133	-0.133	0.000	0.000	0.000	0.000
397	388	G	0	0.314	0.248	7.805	-0.003	-0.003	0.000	0.000	0.000	0.000

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