FMO DATABASE

FMODB ID: 17MLZ

Calculation Name: 6XKI-A-MD433-88ns

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	-7625043.133588
FMO2-HF: Nuclear repulsion	7455839.024696
FMO2-HF: Total energy	-169204.108892
FMO2-MP2: Total energy	-169681.793419

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.
-301.238512	-250.734184	56.199558	-23.339518	-83.364368	0.118067

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

Summations of interaction energy for fragment #399(:389:V6D)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-50.541	-17.292	32.666	-14.161	-51.752	-0.046

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 : -0.065 / q_NPA : -0.018

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	0.031	0.006	3.514	-0.598	0.214	0.091	-0.200	-0.703	0.000
132	132	GLY	0	0.041	0.023	2.431	-2.670	-0.406	6.756	-4.422	-4.598	-0.002
133	133	ARG	1	0.808	0.863	2.510	0.400	-1.862	1.181	3.828	-2.747	-0.023
134	134	VAL	0	0.014	0.006	5.116	-0.532	-0.390	-0.001	-0.012	-0.129	0.000
135	135	PHE	0	0.058	0.025	2.561	-12.609	-6.161	8.988	-3.585	-11.850	0.012
136	136	ASP	-1	-0.763	-0.835	2.609	-5.292	-2.453	0.633	-1.219	-2.253	0.002
137	137	MET	0	-0.026	-0.014	3.228	0.116	0.135	0.041	0.279	-0.340	0.000
139	139	ASN	0	-0.126	-0.079	2.829	-0.648	0.610	0.418	-0.351	-1.326	-0.001
140	140	ARG	1	0.778	0.866	4.913	0.498	0.624	-0.001	-0.002	-0.122	0.000
167	167	GLN	0	-0.005	0.011	2.615	-7.059	-2.918	4.919	-2.375	-6.685	-0.004
168	168	ILE	0	0.005	-0.015	3.779	-1.894	-1.482	0.013	0.192	-0.617	-0.001
170	170	ASP	-1	-0.852	-0.916	2.697	-5.840	-2.529	0.953	-1.779	-2.486	-0.019
171	171	ILE	0	-0.068	-0.044	3.481	-0.621	0.261	0.058	-0.124	-0.815	0.000
391	385	A	-1	-0.457	-0.589	2.682	-2.690	-0.755	0.288	-0.768	-1.454	-0.004
392	385	A	0	-0.320	-0.288	3.426	-2.100	-0.987	0.071	-0.427	-0.757	-0.003
393	386	G	-1	-0.551	-0.649	2.567	-0.759	0.902	1.076	-0.852	-1.885	0.005
394	386	G	0	-0.375	-0.315	2.289	-7.331	0.614	7.183	-2.331	-12.796	-0.008
398	388	G	0	-0.361	-0.272	4.761	-1.014	-0.811	-0.001	-0.013	-0.189	0.000
1	1	GLU	0	-0.121	-0.072	33.266	0.009	0.009	0.000	0.000	0.000	0.000
2	2	ILE	0	0.057	0.023	34.996	0.001	0.001	0.000	0.000	0.000	0.000
3	3	VAL	0	0.024	0.018	35.835	-0.002	-0.002	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.872	-0.933	35.954	0.026	0.026	0.000	0.000	0.000	0.000
5	5	SER	0	0.032	0.010	37.641	-0.002	-0.002	0.000	0.000	0.000	0.000
6	6	PHE	0	0.029	-0.013	31.827	0.002	0.002	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.912	-0.953	35.926	0.021	0.021	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.885	-0.933	39.030	0.024	0.024	0.000	0.000	0.000	0.000
9	9	MET	0	-0.149	-0.073	32.616	0.002	0.002	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.061	-0.024	34.960	0.003	0.003	0.000	0.000	0.000	0.000
11	11	LEU	0	0.000	0.010	31.363	0.001	0.001	0.000	0.000	0.000	0.000
12	12	SER	0	0.028	0.003	33.085	-0.003	-0.003	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.881	-0.940	34.895	0.016	0.016	0.000	0.000	0.000	0.000
14	14	SER	0	-0.019	-0.009	34.131	-0.001	-0.001	0.000	0.000	0.000	0.000
15	15	LEU	0	0.026	0.012	29.151	-0.001	-0.001	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.001	0.005	32.676	-0.001	-0.001	0.000	0.000	0.000	0.000
17	17	ARG	1	0.912	0.969	35.614	-0.010	-0.010	0.000	0.000	0.000	0.000
18	18	GLY	0	0.043	0.019	32.241	-0.002	-0.002	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.017	-0.020	31.500	-0.001	-0.001	0.000	0.000	0.000	0.000
20	20	TYR	0	0.001	-0.007	33.273	-0.001	-0.001	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.070	-0.033	35.476	-0.001	-0.001	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.032	-0.018	27.895	-0.002	-0.002	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.010	0.011	33.380	-0.001	-0.001	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.052	-0.033	29.385	0.001	0.001	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.894	-0.947	33.204	0.015	0.015	0.000	0.000	0.000	0.000
26	26	LYS	1	0.852	0.917	34.001	-0.021	-0.021	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.009	0.018	32.673	0.001	0.001	0.000	0.000	0.000	0.000
28	28	SER	0	0.052	0.012	31.407	-0.002	-0.002	0.000	0.000	0.000	0.000
29	29	ALA	0	0.016	-0.010	32.734	0.003	0.003	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.012	-0.005	27.215	0.001	0.001	0.000	0.000	0.000	0.000
31	31	GLN	0	0.063	0.041	27.615	0.003	0.003	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.050	-0.038	29.803	0.001	0.001	0.000	0.000	0.000	0.000
33	33	ARG	1	0.905	0.957	31.014	-0.047	-0.047	0.000	0.000	0.000	0.000
34	34	ALA	0	0.040	0.022	25.969	0.003	0.003	0.000	0.000	0.000	0.000
35	35	ILE	0	0.056	0.038	27.004	0.004	0.004	0.000	0.000	0.000	0.000
36	36	LEU	0	0.061	0.031	27.885	0.003	0.003	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.062	-0.038	27.218	0.001	0.001	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.005	0.004	23.847	0.006	0.006	0.000	0.000	0.000	0.000
39	39	ILE	0	0.052	0.032	24.820	0.003	0.003	0.000	0.000	0.000	0.000
40	40	LYS	1	0.870	0.937	27.260	-0.053	-0.053	0.000	0.000	0.000	0.000
41	41	GLY	0	-0.008	0.006	23.785	0.000	0.000	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.028	-0.013	23.193	0.005	0.005	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.731	-0.861	19.571	0.129	0.129	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.041	-0.027	21.181	-0.006	-0.006	0.000	0.000	0.000	0.000
45	45	ILE	0	0.005	0.003	20.470	0.009	0.009	0.000	0.000	0.000	0.000
46	46	ALA	0	0.025	0.001	22.149	-0.009	-0.009	0.000	0.000	0.000	0.000
47	47	GLN	0	0.006	0.004	23.087	0.004	0.004	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.026	-0.025	24.298	-0.007	-0.007	0.000	0.000	0.000	0.000
49	49	GLN	0	0.029	0.003	24.585	-0.002	-0.002	0.000	0.000	0.000	0.000
50	50	SER	0	0.051	0.028	25.411	-0.001	-0.001	0.000	0.000	0.000	0.000
51	51	GLY	0	0.029	0.019	25.770	-0.002	-0.002	0.000	0.000	0.000	0.000
52	52	THR	0	-0.061	-0.042	27.427	0.001	0.001	0.000	0.000	0.000	0.000
53	53	GLY	0	0.074	0.040	27.641	0.001	0.001	0.000	0.000	0.000	0.000
54	54	LYS	1	0.782	0.882	19.661	-0.054	-0.054	0.000	0.000	0.000	0.000
55	55	THR	0	0.056	0.014	21.231	0.008	0.008	0.000	0.000	0.000	0.000
56	56	ALA	0	0.039	0.020	22.617	0.004	0.004	0.000	0.000	0.000	0.000
57	57	THR	0	-0.021	-0.020	24.768	0.001	0.001	0.000	0.000	0.000	0.000
58	58	PHE	0	0.032	0.015	18.502	0.003	0.003	0.000	0.000	0.000	0.000
59	59	ALA	0	0.012	0.013	22.562	0.003	0.003	0.000	0.000	0.000	0.000
60	60	ILE	0	0.011	0.003	23.519	-0.001	-0.001	0.000	0.000	0.000	0.000
61	61	SER	0	-0.048	-0.043	23.588	-0.001	-0.001	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.014	0.001	19.059	0.003	0.003	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.005	-0.015	23.212	-0.002	-0.002	0.000	0.000	0.000	0.000
64	64	GLN	0	0.038	0.028	25.896	-0.004	-0.004	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.079	-0.049	23.374	-0.001	-0.001	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.082	-0.020	21.883	0.001	0.001	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.909	-0.944	25.707	0.026	0.026	0.000	0.000	0.000	0.000
68	68	LEU	0	-0.008	-0.020	26.336	0.001	0.001	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.877	-0.936	28.239	0.011	0.011	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.083	-0.028	22.391	-0.003	-0.003	0.000	0.000	0.000	0.000
71	71	LYS	1	0.924	0.960	23.830	0.003	0.003	0.000	0.000	0.000	0.000
72	72	ALA	0	0.017	-0.010	18.990	-0.007	-0.007	0.000	0.000	0.000	0.000
73	73	THR	0	-0.046	-0.018	15.341	0.003	0.003	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.013	-0.015	18.186	0.008	0.008	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.004	0.001	17.542	0.007	0.007	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.013	0.001	9.808	-0.005	-0.005	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.012	-0.008	13.681	0.005	0.005	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.011	-0.010	7.608	0.033	0.033	0.000	0.000	0.000	0.000
79	79	ALA	0	0.049	0.013	10.430	-0.029	-0.029	0.000	0.000	0.000	0.000
80	80	PRO	0	0.023	0.013	9.372	0.001	0.001	0.000	0.000	0.000	0.000
81	81	THR	0	-0.008	-0.004	9.107	-0.120	-0.120	0.000	0.000	0.000	0.000
82	82	ARG	1	0.858	0.895	7.543	0.671	0.671	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.739	-0.855	11.500	-0.107	-0.107	0.000	0.000	0.000	0.000
84	84	LEU	0	0.007	0.014	14.226	0.019	0.019	0.000	0.000	0.000	0.000
85	85	ALA	0	0.016	0.005	12.177	0.018	0.018	0.000	0.000	0.000	0.000
86	86	GLN	0	0.027	0.000	14.323	0.004	0.004	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.010	0.007	16.992	0.005	0.005	0.000	0.000	0.000	0.000
88	88	ILE	0	0.014	0.013	15.645	0.003	0.003	0.000	0.000	0.000	0.000
89	89	GLN	0	0.007	-0.003	17.950	-0.004	-0.004	0.000	0.000	0.000	0.000
90	90	LYS	1	0.839	0.917	19.782	0.003	0.003	0.000	0.000	0.000	0.000
91	91	VAL	0	0.026	0.017	22.980	-0.001	-0.001	0.000	0.000	0.000	0.000
92	92	VAL	0	0.002	-0.007	20.048	0.001	0.001	0.000	0.000	0.000	0.000
93	93	MET	0	-0.026	-0.008	22.696	-0.003	-0.003	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.012	0.000	25.080	-0.002	-0.002	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.030	-0.020	26.326	-0.001	-0.001	0.000	0.000	0.000	0.000
96	96	GLY	0	0.039	0.011	27.100	0.001	0.001	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.952	-0.967	28.083	0.006	0.006	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.017	-0.020	30.402	-0.002	-0.002	0.000	0.000	0.000	0.000
99	99	MET	0	-0.058	-0.014	28.807	0.001	0.001	0.000	0.000	0.000	0.000
100	100	GLY	0	0.030	0.025	29.630	-0.001	-0.001	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.047	-0.017	25.158	-0.001	-0.001	0.000	0.000	0.000	0.000
102	102	SER	0	-0.005	-0.003	22.736	0.001	0.001	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.049	-0.021	18.727	0.008	0.008	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.029	-0.028	14.199	-0.015	-0.015	0.000	0.000	0.000	0.000
105	105	ALA	0	0.025	0.001	14.548	0.014	0.014	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.049	0.003	9.757	-0.035	-0.035	0.000	0.000	0.000	0.000
107	107	ILE	0	-0.001	0.003	9.533	0.087	0.087	0.000	0.000	0.000	0.000
108	108	GLY	0	-0.004	0.002	7.794	0.057	0.057	0.000	0.000	0.000	0.000
109	109	GLY	0	0.030	0.013	8.542	-0.070	-0.070	0.000	0.000	0.000	0.000
110	110	THR	0	-0.002	0.001	10.842	0.011	0.011	0.000	0.000	0.000	0.000
111	111	ASN	0	0.012	0.000	11.669	0.008	0.008	0.000	0.000	0.000	0.000
112	112	VAL	0	0.125	0.063	9.282	0.014	0.014	0.000	0.000	0.000	0.000
113	113	ARG	1	0.951	0.981	12.196	0.100	0.100	0.000	0.000	0.000	0.000
114	114	ALA	0	-0.049	-0.036	15.532	0.006	0.006	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.743	-0.854	10.687	0.075	0.075	0.000	0.000	0.000	0.000
116	116	VAL	0	0.011	-0.014	11.979	0.009	0.009	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.010	-0.002	14.426	0.009	0.009	0.000	0.000	0.000	0.000
118	118	LYS	1	0.889	0.931	16.685	0.014	0.014	0.000	0.000	0.000	0.000
119	119	LEU	0	-0.006	-0.014	11.745	0.005	0.005	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.063	-0.022	15.072	-0.008	-0.008	0.000	0.000	0.000	0.000
121	121	MET	0	-0.054	-0.013	18.348	0.003	0.003	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.883	-0.939	21.048	-0.008	-0.008	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.057	-0.010	19.150	0.004	0.004	0.000	0.000	0.000	0.000
124	124	PRO	0	0.003	0.001	17.789	0.004	0.004	0.000	0.000	0.000	0.000
125	125	HIS	0	0.100	0.068	19.026	0.010	0.010	0.000	0.000	0.000	0.000
126	126	ILE	0	0.003	0.003	18.079	0.011	0.011	0.000	0.000	0.000	0.000
127	127	ILE	0	-0.008	-0.004	12.465	-0.011	-0.011	0.000	0.000	0.000	0.000
128	128	VAL	0	0.035	0.020	13.434	0.019	0.019	0.000	0.000	0.000	0.000
129	129	GLY	0	0.005	-0.010	10.318	-0.009	-0.009	0.000	0.000	0.000	0.000
130	130	THR	0	-0.008	-0.017	6.335	-0.007	-0.007	0.000	0.000	0.000	0.000
138	138	LEU	0	0.002	0.014	6.409	-0.031	-0.031	0.000	0.000	0.000	0.000
141	141	ARG	1	0.878	0.935	6.968	0.196	0.196	0.000	0.000	0.000	0.000
142	142	TYR	0	-0.024	-0.008	9.587	0.018	0.018	0.000	0.000	0.000	0.000
143	143	LEU	0	0.042	0.043	9.495	0.029	0.029	0.000	0.000	0.000	0.000
144	144	SER	0	0.018	-0.011	11.145	0.006	0.006	0.000	0.000	0.000	0.000
145	145	PRO	0	0.046	0.002	11.951	-0.001	-0.001	0.000	0.000	0.000	0.000
146	146	LYS	1	0.855	0.944	14.730	-0.043	-0.043	0.000	0.000	0.000	0.000
147	147	TYR	0	0.015	0.001	17.703	-0.009	-0.009	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.012	0.017	13.086	-0.001	-0.001	0.000	0.000	0.000	0.000
149	149	LYS	1	0.980	1.005	16.999	-0.075	-0.075	0.000	0.000	0.000	0.000
150	150	MET	0	-0.029	0.000	17.682	0.001	0.001	0.000	0.000	0.000	0.000
151	151	PHE	0	0.021	-0.002	8.599	-0.002	-0.002	0.000	0.000	0.000	0.000
152	152	VAL	0	0.003	-0.003	14.494	-0.004	-0.004	0.000	0.000	0.000	0.000
153	153	LEU	0	0.010	-0.002	11.229	0.016	0.016	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.786	-0.882	14.033	0.053	0.053	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.861	-0.941	14.276	0.063	0.063	0.000	0.000	0.000	0.000
156	156	ALA	0	0.006	-0.010	14.293	0.011	0.011	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.775	-0.839	14.578	0.123	0.123	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.832	-0.910	12.272	0.058	0.058	0.000	0.000	0.000	0.000
159	159	MET	0	-0.054	-0.007	8.266	0.045	0.045	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.012	-0.009	10.274	0.113	0.113	0.000	0.000	0.000	0.000
161	161	SER	0	0.004	-0.005	11.510	-0.020	-0.020	0.000	0.000	0.000	0.000
162	162	ARG	1	0.769	0.835	10.755	-0.041	-0.041	0.000	0.000	0.000	0.000
163	163	GLY	0	0.031	0.049	7.962	0.082	0.082	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.041	-0.021	5.722	0.152	0.152	0.000	0.000	0.000	0.000
165	165	LYS	1	0.965	0.998	7.256	0.021	0.021	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.881	-0.957	5.859	0.494	0.494	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.015	-0.013	6.598	-0.272	-0.272	0.000	0.000	0.000	0.000
172	172	PHE	0	-0.034	-0.026	5.480	0.124	0.124	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.027	-0.006	7.893	0.041	0.041	0.000	0.000	0.000	0.000
174	174	LYS	1	0.879	0.961	6.122	-0.762	-0.762	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.022	-0.009	8.720	-0.015	-0.015	0.000	0.000	0.000	0.000
176	176	ASN	0	0.048	0.034	11.349	-0.001	-0.001	0.000	0.000	0.000	0.000
177	177	SER	0	0.043	0.023	14.970	-0.003	-0.003	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.112	-0.070	16.781	-0.011	-0.011	0.000	0.000	0.000	0.000
179	179	THR	0	-0.082	-0.036	14.455	-0.011	-0.011	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.053	-0.023	17.137	0.004	0.004	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.011	-0.018	14.646	0.012	0.012	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.017	-0.009	16.817	-0.014	-0.014	0.000	0.000	0.000	0.000
183	183	LEU	0	0.005	0.006	15.271	0.015	0.015	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.014	-0.009	17.819	-0.016	-0.016	0.000	0.000	0.000	0.000
185	185	SER	0	-0.018	-0.032	18.377	0.003	0.003	0.000	0.000	0.000	0.000
186	186	ALA	0	0.061	0.046	20.550	-0.002	-0.002	0.000	0.000	0.000	0.000
187	187	THR	0	-0.018	0.005	20.358	-0.006	-0.006	0.000	0.000	0.000	0.000
188	188	MET	0	-0.031	-0.024	20.141	0.009	0.009	0.000	0.000	0.000	0.000
189	189	PRO	0	0.060	0.044	19.609	-0.004	-0.004	0.000	0.000	0.000	0.000
190	190	SER	0	0.002	-0.001	22.001	0.009	0.009	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.843	-0.922	19.958	0.119	0.119	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.048	-0.022	16.774	0.017	0.017	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.002	-0.023	18.708	0.009	0.009	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.856	-0.885	21.202	0.114	0.114	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.025	-0.021	14.713	0.003	0.003	0.000	0.000	0.000	0.000
196	196	THR	0	-0.011	-0.022	16.737	0.006	0.006	0.000	0.000	0.000	0.000
197	197	LYS	1	0.839	0.914	17.800	-0.114	-0.114	0.000	0.000	0.000	0.000
198	198	LYS	1	0.888	0.959	12.827	-0.234	-0.234	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.028	-0.018	9.712	0.011	0.011	0.000	0.000	0.000	0.000
200	200	MET	0	-0.051	-0.005	15.038	-0.004	-0.004	0.000	0.000	0.000	0.000
201	201	ARG	1	0.925	0.957	18.483	-0.117	-0.117	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.975	-0.986	21.604	0.076	0.076	0.000	0.000	0.000	0.000
203	203	PRO	0	0.003	0.017	21.239	-0.004	-0.004	0.000	0.000	0.000	0.000
204	204	ILE	0	0.015	-0.006	23.273	-0.006	-0.006	0.000	0.000	0.000	0.000
205	205	ARG	1	0.923	0.964	24.716	-0.088	-0.088	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.031	-0.012	26.165	-0.007	-0.007	0.000	0.000	0.000	0.000
207	207	LEU	0	0.012	0.004	25.058	0.002	0.002	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.005	-0.008	27.789	-0.004	-0.004	0.000	0.000	0.000	0.000
209	209	LYS	1	0.938	0.977	28.923	-0.035	-0.035	0.000	0.000	0.000	0.000
210	210	LYS	1	0.973	0.973	28.594	-0.046	-0.046	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.963	-0.982	30.731	0.029	0.029	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.947	-0.974	32.906	0.028	0.028	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.075	-0.027	26.619	0.001	0.001	0.000	0.000	0.000	0.000
214	214	THR	0	-0.037	-0.016	29.620	-0.002	-0.002	0.000	0.000	0.000	0.000
215	215	LEU	0	0.027	0.020	27.957	0.001	0.001	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.879	-0.938	32.003	0.017	0.017	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.024	-0.024	33.720	-0.001	-0.001	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.005	0.003	30.481	-0.002	-0.002	0.000	0.000	0.000	0.000
219	219	ARG	1	0.924	0.980	33.954	-0.003	-0.003	0.000	0.000	0.000	0.000
220	220	GLN	0	0.060	0.031	31.697	-0.002	-0.002	0.000	0.000	0.000	0.000
221	221	PHE	0	0.021	0.006	35.162	0.001	0.001	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.023	-0.017	34.815	-0.001	-0.001	0.000	0.000	0.000	0.000
223	223	ILE	0	0.079	0.038	35.790	0.000	0.000	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.002	-0.002	36.556	-0.001	-0.001	0.000	0.000	0.000	0.000
225	225	VAL	0	0.002	-0.004	34.734	-0.001	-0.001	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.910	-0.936	37.824	-0.001	-0.001	0.000	0.000	0.000	0.000
227	227	ARG	1	0.930	0.945	35.613	0.007	0.007	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.754	-0.882	29.689	-0.017	-0.017	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.979	-0.989	33.534	-0.014	-0.014	0.000	0.000	0.000	0.000
230	230	TRP	0	0.018	0.012	36.214	-0.001	-0.001	0.000	0.000	0.000	0.000
231	231	LYS	1	0.802	0.902	28.667	0.015	0.015	0.000	0.000	0.000	0.000
232	232	LEU	0	0.005	0.012	33.217	-0.001	-0.001	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.805	-0.902	34.864	-0.016	-0.016	0.000	0.000	0.000	0.000
234	234	THR	0	0.005	0.000	37.035	0.001	0.001	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.028	-0.012	31.289	0.000	0.000	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.088	-0.042	35.462	-0.001	-0.001	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.940	-0.957	37.987	-0.009	-0.009	0.000	0.000	0.000	0.000
238	238	LEU	0	0.019	0.006	35.422	0.001	0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.011	-0.015	34.219	0.001	0.001	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.912	-0.942	37.754	-0.010	-0.010	0.000	0.000	0.000	0.000
241	241	THR	0	-0.038	-0.054	36.620	0.000	0.000	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.053	-0.023	32.031	-0.001	-0.001	0.000	0.000	0.000	0.000
243	243	THR	0	-0.014	0.003	35.241	-0.002	-0.002	0.000	0.000	0.000	0.000
244	244	ILE	0	0.010	-0.003	37.968	0.000	0.000	0.000	0.000	0.000	0.000
245	245	THR	0	-0.036	-0.018	34.004	0.001	0.001	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.058	-0.031	28.963	0.001	0.001	0.000	0.000	0.000	0.000
247	247	ALA	0	0.007	-0.005	30.267	0.003	0.003	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.009	-0.003	23.716	-0.004	-0.004	0.000	0.000	0.000	0.000
249	249	ILE	0	-0.013	-0.002	26.375	0.005	0.005	0.000	0.000	0.000	0.000
250	250	PHE	0	0.025	0.010	19.887	-0.006	-0.006	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.037	-0.027	22.351	0.007	0.007	0.000	0.000	0.000	0.000
252	252	ASN	0	0.006	-0.021	20.570	-0.011	-0.011	0.000	0.000	0.000	0.000
253	253	THR	0	-0.021	-0.007	18.734	-0.001	-0.001	0.000	0.000	0.000	0.000
254	254	ARG	1	0.926	0.946	10.894	0.309	0.309	0.000	0.000	0.000	0.000
255	255	ARG	1	0.976	0.982	18.807	0.080	0.080	0.000	0.000	0.000	0.000
256	256	LYS	1	0.809	0.885	21.745	0.029	0.029	0.000	0.000	0.000	0.000
257	257	VAL	0	0.072	0.035	21.381	0.006	0.006	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.826	-0.879	22.024	-0.089	-0.089	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.043	-0.020	25.016	0.006	0.006	0.000	0.000	0.000	0.000
260	260	LEU	0	0.009	-0.001	27.445	0.004	0.004	0.000	0.000	0.000	0.000
261	261	THR	0	-0.009	-0.025	26.288	0.003	0.003	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.924	-0.955	28.870	-0.041	-0.041	0.000	0.000	0.000	0.000
263	263	LYS	1	0.876	0.940	31.094	0.035	0.035	0.000	0.000	0.000	0.000
264	264	MET	0	-0.013	-0.014	31.733	0.003	0.003	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.006	0.007	32.552	0.002	0.002	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.016	-0.009	34.473	0.002	0.002	0.000	0.000	0.000	0.000
267	267	ARG	1	0.761	0.861	36.902	0.021	0.021	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.915	-0.935	38.126	-0.022	-0.022	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.023	-0.013	35.633	0.001	0.001	0.000	0.000	0.000	0.000
270	270	THR	0	-0.036	-0.021	33.019	-0.002	-0.002	0.000	0.000	0.000	0.000
271	271	VAL	0	0.014	0.015	29.348	0.001	0.001	0.000	0.000	0.000	0.000
272	272	SER	0	-0.028	-0.004	26.179	-0.003	-0.003	0.000	0.000	0.000	0.000
273	273	ALA	0	0.030	0.007	23.332	0.003	0.003	0.000	0.000	0.000	0.000
274	274	MET	0	0.002	-0.007	17.509	-0.013	-0.013	0.000	0.000	0.000	0.000
275	275	HIS	0	-0.010	-0.035	16.850	-0.014	-0.014	0.000	0.000	0.000	0.000
276	276	GLY	0	0.026	-0.014	12.704	-0.006	-0.006	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.029	-1.020	12.744	-0.280	-0.280	0.000	0.000	0.000	0.000
278	278	MET	0	-0.016	0.031	14.620	0.014	0.014	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.840	-0.911	15.187	-0.171	-0.171	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.029	-0.024	12.963	-0.042	-0.042	0.000	0.000	0.000	0.000
281	281	LYS	1	0.903	0.929	15.581	0.104	0.104	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.914	-0.940	18.794	-0.085	-0.085	0.000	0.000	0.000	0.000
283	283	ARG	1	0.795	0.860	11.305	0.316	0.316	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.937	-0.963	18.140	-0.051	-0.051	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.036	-0.020	19.328	0.013	0.013	0.000	0.000	0.000	0.000
286	286	ILE	0	0.023	0.007	20.412	0.008	0.008	0.000	0.000	0.000	0.000
287	287	MET	0	-0.003	0.011	18.405	0.013	0.013	0.000	0.000	0.000	0.000
288	288	ARG	1	0.824	0.911	21.562	0.056	0.056	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.805	-0.888	24.419	-0.035	-0.035	0.000	0.000	0.000	0.000
290	290	PHE	0	0.053	0.041	23.899	0.004	0.004	0.000	0.000	0.000	0.000
291	291	ARG	1	0.825	0.902	23.152	0.023	0.023	0.000	0.000	0.000	0.000
292	292	SER	0	-0.052	-0.039	26.447	0.004	0.004	0.000	0.000	0.000	0.000
293	293	GLY	0	0.004	0.000	29.491	0.003	0.003	0.000	0.000	0.000	0.000
294	294	SER	0	-0.114	-0.051	30.085	0.001	0.001	0.000	0.000	0.000	0.000
295	295	SER	0	0.010	0.001	27.861	0.000	0.000	0.000	0.000	0.000	0.000
296	296	ARG	1	0.914	0.957	29.844	0.019	0.019	0.000	0.000	0.000	0.000
297	297	VAL	0	0.045	0.012	29.715	0.002	0.002	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.026	0.009	22.162	-0.003	-0.003	0.000	0.000	0.000	0.000
299	299	ILE	0	0.023	0.006	24.464	0.004	0.004	0.000	0.000	0.000	0.000
300	300	THR	0	-0.025	-0.032	19.430	-0.013	-0.013	0.000	0.000	0.000	0.000
301	301	THR	0	0.027	0.003	16.084	0.014	0.014	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.776	-0.900	16.340	-0.029	-0.029	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.047	0.005	13.217	0.007	0.007	0.000	0.000	0.000	0.000
304	304	LEU	0	0.012	-0.006	14.954	0.014	0.014	0.000	0.000	0.000	0.000
305	305	ALA	0	0.006	0.010	17.594	0.016	0.016	0.000	0.000	0.000	0.000
306	306	ARG	1	0.767	0.854	14.995	-0.044	-0.044	0.000	0.000	0.000	0.000
307	307	GLY	0	0.030	0.009	17.345	-0.010	-0.010	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.031	0.001	16.511	0.003	0.003	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.895	-0.936	19.984	0.009	0.009	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.022	-0.015	23.309	-0.007	-0.007	0.000	0.000	0.000	0.000
311	311	GLN	0	-0.001	-0.005	25.856	0.006	0.006	0.000	0.000	0.000	0.000
312	312	GLN	0	0.011	-0.003	29.455	0.002	0.002	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.016	0.028	27.491	0.001	0.001	0.000	0.000	0.000	0.000
314	314	SER	0	-0.075	-0.056	30.826	0.003	0.003	0.000	0.000	0.000	0.000
315	315	LEU	0	0.023	0.010	32.256	0.002	0.002	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.016	-0.010	26.678	-0.003	-0.003	0.000	0.000	0.000	0.000
317	317	ILE	0	0.013	0.006	28.777	0.003	0.003	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.012	-0.003	25.810	-0.008	-0.008	0.000	0.000	0.000	0.000
319	319	TYR	0	0.054	0.017	27.461	0.003	0.003	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.756	-0.851	24.632	-0.024	-0.024	0.000	0.000	0.000	0.000
321	321	LEU	0	0.029	0.015	25.591	-0.001	-0.001	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.022	0.028	22.193	-0.001	-0.001	0.000	0.000	0.000	0.000
323	323	THR	0	0.049	0.003	21.885	0.001	0.001	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.017	-0.005	19.404	0.003	0.003	0.000	0.000	0.000	0.000
325	325	ARG	1	1.002	0.997	21.932	-0.036	-0.036	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.870	-0.933	20.865	0.060	0.060	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.028	-0.028	18.407	-0.003	-0.003	0.000	0.000	0.000	0.000
328	328	TYR	0	-0.019	-0.023	21.015	-0.008	-0.008	0.000	0.000	0.000	0.000
329	329	ILE	0	0.005	0.000	23.756	-0.004	-0.004	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.042	-0.025	20.337	-0.008	-0.008	0.000	0.000	0.000	0.000
331	331	ARG	1	0.818	0.891	20.483	0.016	0.016	0.000	0.000	0.000	0.000
332	332	ILE	0	0.023	0.005	23.324	-0.003	-0.003	0.000	0.000	0.000	0.000
333	333	GLY	0	0.026	0.029	25.426	0.000	0.000	0.000	0.000	0.000	0.000
334	334	ARG	1	0.771	0.882	21.362	0.007	0.007	0.000	0.000	0.000	0.000
335	335	GLY	0	0.034	0.008	25.442	-0.003	-0.003	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.007	-0.003	29.324	0.003	0.003	0.000	0.000	0.000	0.000
337	337	ARG	1	0.820	0.934	25.381	0.003	0.003	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.028	-0.029	30.108	0.000	0.000	0.000	0.000	0.000	0.000
339	339	GLY	0	0.015	0.012	33.260	-0.001	-0.001	0.000	0.000	0.000	0.000
340	340	ARG	1	0.826	0.912	35.197	0.004	0.004	0.000	0.000	0.000	0.000
341	341	LYS	1	0.885	0.935	35.167	-0.009	-0.009	0.000	0.000	0.000	0.000
342	342	GLY	0	0.076	0.052	34.277	-0.001	-0.001	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.032	-0.014	34.120	0.002	0.002	0.000	0.000	0.000	0.000
344	344	ALA	0	0.022	0.007	31.101	-0.002	-0.002	0.000	0.000	0.000	0.000
345	345	ILE	0	0.015	0.007	32.210	0.002	0.002	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.008	-0.009	30.058	-0.003	-0.003	0.000	0.000	0.000	0.000
347	347	MET	0	-0.012	-0.005	31.349	0.000	0.000	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.027	-0.011	31.965	0.000	0.000	0.000	0.000	0.000	0.000
349	349	THR	0	-0.022	-0.036	32.177	0.000	0.000	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.844	-0.937	34.708	0.006	0.006	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.934	-0.953	31.326	0.011	0.011	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.869	-0.894	30.030	0.002	0.002	0.000	0.000	0.000	0.000
353	353	LYS	1	0.844	0.903	32.298	-0.004	-0.004	0.000	0.000	0.000	0.000
354	354	ARG	1	0.861	0.918	32.166	-0.020	-0.020	0.000	0.000	0.000	0.000
355	355	THR	0	0.044	0.016	27.792	0.004	0.004	0.000	0.000	0.000	0.000
356	356	LEU	0	-0.001	0.011	30.778	0.001	0.001	0.000	0.000	0.000	0.000
357	357	ARG	1	0.818	0.895	33.318	-0.013	-0.013	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.830	-0.905	30.819	0.026	0.026	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.042	-0.022	27.623	0.004	0.004	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.864	-0.918	30.787	0.019	0.019	0.000	0.000	0.000	0.000
361	361	THR	0	0.042	0.021	34.360	0.000	0.000	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.108	-0.048	26.069	0.003	0.003	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.024	-0.055	25.640	0.003	0.003	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.053	-0.006	32.210	0.000	0.000	0.000	0.000	0.000	0.000
365	365	THR	0	0.001	-0.002	35.402	-0.001	-0.001	0.000	0.000	0.000	0.000
366	366	SER	0	0.010	0.008	36.365	0.000	0.000	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.049	-0.010	32.917	-0.001	-0.001	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.939	-0.968	37.479	0.009	0.009	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.961	-0.995	39.156	0.002	0.002	0.000	0.000	0.000	0.000
370	370	MET	0	-0.034	-0.008	39.186	0.000	0.000	0.000	0.000	0.000	0.000
371	371	PRO	0	0.011	0.021	41.075	0.000	0.000	0.000	0.000	0.000	0.000
372	372	LEU	0	-0.004	-0.021	44.154	-0.001	-0.001	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.001	-0.012	45.627	0.000	0.000	0.000	0.000	0.000	0.000
374	374	VAL	0	0.020	0.011	39.436	0.000	0.000	0.000	0.000	0.000	0.000
375	375	ALA	0	0.042	0.015	40.531	0.000	0.000	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.970	-0.978	41.605	-0.003	-0.003	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.100	-0.048	40.680	0.001	0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.800	-0.849	36.527	-0.004	-0.004	0.000	0.000	0.000	0.000
379	379	A	-1	-0.572	-0.651	15.830	0.179	0.179	0.000	0.000	0.000	0.000
380	379	A	0	-0.356	-0.302	20.959	-0.008	-0.008	0.000	0.000	0.000	0.000
381	380	G	-1	-0.530	-0.622	16.112	0.100	0.100	0.000	0.000	0.000	0.000
382	380	G	0	-0.356	-0.299	19.499	0.004	0.004	0.000	0.000	0.000	0.000
383	381	A	-1	-0.621	-0.685	15.704	0.009	0.009	0.000	0.000	0.000	0.000
384	381	A	0	-0.374	-0.310	16.493	-0.003	-0.003	0.000	0.000	0.000	0.000
385	382	G	-1	-0.499	-0.647	15.252	-0.099	-0.099	0.000	0.000	0.000	0.000
386	382	G	0	-0.316	-0.265	12.637	0.052	0.052	0.000	0.000	0.000	0.000
387	383	A	-1	-0.469	-0.589	11.165	-0.213	-0.213	0.000	0.000	0.000	0.000
388	383	A	0	-0.320	-0.294	9.306	-0.021	-0.021	0.000	0.000	0.000	0.000
389	384	G	-1	-0.472	-0.581	7.149	-0.373	-0.373	0.000	0.000	0.000	0.000
390	384	G	0	-0.396	-0.324	5.538	-0.196	-0.196	0.000	0.000	0.000	0.000
395	387	A	-1	-0.594	-0.671	5.778	-0.220	-0.220	0.000	0.000	0.000	0.000
396	387	A	0	-0.334	-0.291	5.527	-0.289	-0.289	0.000	0.000	0.000	0.000
397	388	G	0	0.284	0.223	7.685	-0.053	-0.053	0.000	0.000	0.000	0.000

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