FMO DATABASE

FMODB ID: 5246Z

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

Total energy (hartree)

FMO2-HF: Electronic energy	-7638607.833604
FMO2-HF: Nuclear repulsion	7469403.807578
FMO2-HF: Total energy	-169204.026026
FMO2-MP2: Total energy	-169681.86364

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.
-269.880349	-223.890915	35.875942	-16.759724	-65.105652	0.035367

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.
-48.06	-15.253	27.138	-12.298	-47.649	-0.024

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 : -0.045 / q_NPA : -0.014

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	0.029	0.006	3.695	-0.534	0.194	0.102	-0.179	-0.651	0.000
132	132	GLY	0	0.035	0.027	2.640	-2.304	0.444	4.105	-3.136	-3.717	0.000
133	133	ARG	1	0.836	0.870	2.529	-1.727	-2.152	1.083	1.837	-2.496	-0.021
134	134	VAL	0	0.025	0.012	5.087	-0.465	-0.356	-0.001	-0.009	-0.099	0.000
135	135	PHE	0	0.064	0.026	2.300	-12.934	-6.493	8.601	-3.335	-11.707	0.017
136	136	ASP	-1	-0.757	-0.821	2.426	-5.220	-2.488	1.353	-1.488	-2.598	0.002
137	137	MET	0	-0.034	-0.016	3.099	0.440	0.178	0.060	0.612	-0.410	0.000
139	139	ASN	0	-0.096	-0.069	2.675	-0.466	0.882	0.804	-0.414	-1.738	-0.001
140	140	ARG	1	0.719	0.830	4.803	0.576	0.740	-0.001	-0.005	-0.159	0.000
167	167	GLN	0	-0.003	0.003	2.751	-5.078	-1.563	2.942	-1.620	-4.836	-0.003
168	168	ILE	0	0.010	-0.006	4.016	-1.554	-1.280	0.000	0.220	-0.494	-0.001
170	170	ASP	-1	-0.876	-0.936	3.309	-1.057	-0.013	0.060	-0.307	-0.797	-0.001
171	171	ILE	0	-0.090	-0.041	3.493	-0.552	0.219	0.023	-0.096	-0.699	0.000
391	385	A	-1	-0.460	-0.589	2.854	-1.483	-0.182	0.149	-0.428	-1.022	-0.001
392	385	A	0	-0.321	-0.287	2.824	-2.580	-1.247	0.262	-0.496	-1.098	-0.004
393	386	G	-1	-0.536	-0.640	2.641	-0.591	0.538	0.619	-0.500	-1.248	0.004
394	386	G	0	-0.368	-0.317	2.399	-7.626	1.062	6.877	-2.620	-12.945	-0.011
398	388	G	0	-0.306	-0.259	3.082	-2.984	-1.815	0.100	-0.334	-0.935	-0.004
1	1	GLU	0	-0.110	-0.075	34.425	0.008	0.008	0.000	0.000	0.000	0.000
2	2	ILE	0	0.031	0.014	34.538	0.003	0.003	0.000	0.000	0.000	0.000
3	3	VAL	0	-0.015	-0.007	34.232	-0.002	-0.002	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.898	-0.948	35.149	0.046	0.046	0.000	0.000	0.000	0.000
5	5	SER	0	0.020	-0.017	37.062	-0.003	-0.003	0.000	0.000	0.000	0.000
6	6	PHE	0	0.018	-0.011	32.341	0.003	0.003	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.841	-0.879	36.026	0.040	0.040	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.902	-0.948	38.650	0.043	0.043	0.000	0.000	0.000	0.000
9	9	MET	0	-0.157	-0.091	32.068	0.003	0.003	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.055	-0.012	34.447	0.002	0.002	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.026	-0.009	30.998	0.003	0.003	0.000	0.000	0.000	0.000
12	12	SER	0	0.017	0.005	32.641	-0.005	-0.005	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.863	-0.937	34.556	0.032	0.032	0.000	0.000	0.000	0.000
14	14	SER	0	-0.046	-0.030	33.453	-0.001	-0.001	0.000	0.000	0.000	0.000
15	15	LEU	0	0.057	0.032	29.105	-0.001	-0.001	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.013	-0.003	32.436	-0.001	-0.001	0.000	0.000	0.000	0.000
17	17	ARG	1	0.919	0.955	35.469	-0.027	-0.027	0.000	0.000	0.000	0.000
18	18	GLY	0	0.051	0.038	32.300	-0.003	-0.003	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.021	-0.022	31.290	-0.001	-0.001	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.017	-0.026	33.178	-0.001	-0.001	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.021	0.010	34.395	-0.003	-0.003	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.045	-0.032	27.666	-0.001	-0.001	0.000	0.000	0.000	0.000
23	23	GLY	0	0.006	0.009	32.508	-0.001	-0.001	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.058	-0.031	29.818	0.001	0.001	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.896	-0.948	33.062	0.029	0.029	0.000	0.000	0.000	0.000
26	26	LYS	1	0.904	0.946	34.119	-0.031	-0.031	0.000	0.000	0.000	0.000
27	27	PRO	0	0.007	0.018	31.868	0.000	0.000	0.000	0.000	0.000	0.000
28	28	SER	0	0.044	0.024	31.713	-0.001	-0.001	0.000	0.000	0.000	0.000
29	29	ALA	0	0.032	-0.005	32.927	0.003	0.003	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.018	0.000	27.487	0.002	0.002	0.000	0.000	0.000	0.000
31	31	GLN	0	0.024	-0.010	27.131	0.003	0.003	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.010	-0.006	29.791	0.004	0.004	0.000	0.000	0.000	0.000
33	33	ARG	1	0.935	0.969	31.183	-0.065	-0.065	0.000	0.000	0.000	0.000
34	34	ALA	0	-0.012	0.000	26.142	0.004	0.004	0.000	0.000	0.000	0.000
35	35	ILE	0	0.036	0.018	26.753	0.006	0.006	0.000	0.000	0.000	0.000
36	36	LEU	0	0.032	0.022	27.553	0.004	0.004	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.024	-0.023	27.203	0.002	0.002	0.000	0.000	0.000	0.000
38	38	CYS	0	0.010	0.028	22.055	0.007	0.007	0.000	0.000	0.000	0.000
39	39	ILE	0	0.054	0.028	24.272	0.006	0.006	0.000	0.000	0.000	0.000
40	40	LYS	1	0.869	0.930	26.605	-0.076	-0.076	0.000	0.000	0.000	0.000
41	41	GLY	0	0.056	0.043	23.351	-0.001	-0.001	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.048	-0.023	23.031	0.006	0.006	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.711	-0.824	19.570	0.198	0.198	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.042	-0.024	20.701	-0.013	-0.013	0.000	0.000	0.000	0.000
45	45	ILE	0	0.008	0.001	19.927	0.013	0.013	0.000	0.000	0.000	0.000
46	46	ALA	0	0.035	0.010	22.051	-0.011	-0.011	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.014	-0.004	23.174	0.004	0.004	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.007	-0.017	23.979	-0.009	-0.009	0.000	0.000	0.000	0.000
49	49	GLN	0	0.030	0.015	24.773	-0.003	-0.003	0.000	0.000	0.000	0.000
50	50	SER	0	0.007	0.008	26.930	0.000	0.000	0.000	0.000	0.000	0.000
51	51	GLY	0	0.038	0.021	27.732	-0.001	-0.001	0.000	0.000	0.000	0.000
52	52	THR	0	-0.051	-0.025	27.729	0.002	0.002	0.000	0.000	0.000	0.000
53	53	GLY	0	0.051	0.033	27.292	0.000	0.000	0.000	0.000	0.000	0.000
54	54	LYS	1	0.833	0.905	19.631	-0.082	-0.082	0.000	0.000	0.000	0.000
55	55	THR	0	0.034	0.007	20.895	0.008	0.008	0.000	0.000	0.000	0.000
56	56	ALA	0	0.045	0.024	22.860	0.005	0.005	0.000	0.000	0.000	0.000
57	57	THR	0	-0.007	-0.007	24.428	0.001	0.001	0.000	0.000	0.000	0.000
58	58	PHE	0	0.046	0.026	18.941	0.003	0.003	0.000	0.000	0.000	0.000
59	59	ALA	0	0.002	0.008	22.317	0.004	0.004	0.000	0.000	0.000	0.000
60	60	ILE	0	0.029	0.015	23.210	0.000	0.000	0.000	0.000	0.000	0.000
61	61	SER	0	-0.027	-0.040	23.696	-0.002	-0.002	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.012	-0.002	18.822	0.006	0.006	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.002	-0.012	22.730	-0.001	-0.001	0.000	0.000	0.000	0.000
64	64	GLN	0	0.053	0.037	25.373	-0.006	-0.006	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.063	-0.032	23.239	0.000	0.000	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.056	-0.019	21.699	0.009	0.009	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.867	-0.928	25.282	0.052	0.052	0.000	0.000	0.000	0.000
68	68	LEU	0	0.004	-0.007	26.169	0.003	0.003	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.910	-0.944	27.499	0.035	0.035	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.115	-0.048	23.029	-0.002	-0.002	0.000	0.000	0.000	0.000
71	71	LYS	1	0.942	0.971	23.434	-0.015	-0.015	0.000	0.000	0.000	0.000
72	72	ALA	0	0.000	-0.019	18.891	-0.005	-0.005	0.000	0.000	0.000	0.000
73	73	THR	0	-0.034	-0.015	15.462	0.002	0.002	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.055	-0.043	18.332	0.011	0.011	0.000	0.000	0.000	0.000
75	75	ALA	0	0.000	0.008	17.270	0.011	0.011	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.018	-0.008	9.989	-0.003	-0.003	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.006	-0.003	13.420	0.013	0.013	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.009	-0.003	7.187	0.030	0.030	0.000	0.000	0.000	0.000
79	79	ALA	0	0.040	0.001	10.563	-0.031	-0.031	0.000	0.000	0.000	0.000
80	80	PRO	0	0.010	0.004	9.468	0.002	0.002	0.000	0.000	0.000	0.000
81	81	THR	0	0.012	0.013	9.671	-0.090	-0.090	0.000	0.000	0.000	0.000
82	82	ARG	1	0.860	0.893	7.666	0.580	0.580	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.759	-0.861	11.815	-0.082	-0.082	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.004	0.005	14.510	0.018	0.018	0.000	0.000	0.000	0.000
85	85	ALA	0	0.018	0.008	12.350	0.018	0.018	0.000	0.000	0.000	0.000
86	86	GLN	0	0.024	-0.004	14.512	0.003	0.003	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.079	-0.038	17.320	-0.007	-0.007	0.000	0.000	0.000	0.000
88	88	ILE	0	0.001	-0.003	15.883	0.003	0.003	0.000	0.000	0.000	0.000
89	89	GLN	0	-0.018	-0.021	17.814	-0.004	-0.004	0.000	0.000	0.000	0.000
90	90	LYS	1	0.943	0.975	19.640	-0.011	-0.011	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.011	0.008	22.726	-0.002	-0.002	0.000	0.000	0.000	0.000
92	92	VAL	0	0.012	-0.004	20.182	0.000	0.000	0.000	0.000	0.000	0.000
93	93	MET	0	-0.037	-0.002	23.294	0.001	0.001	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.009	0.004	25.033	-0.004	-0.004	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.038	-0.009	26.178	-0.001	-0.001	0.000	0.000	0.000	0.000
96	96	GLY	0	0.017	-0.006	26.945	-0.001	-0.001	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.918	-0.949	27.900	0.020	0.020	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.028	-0.031	30.384	-0.003	-0.003	0.000	0.000	0.000	0.000
99	99	MET	0	-0.087	-0.036	29.296	0.001	0.001	0.000	0.000	0.000	0.000
100	100	GLY	0	0.028	0.031	29.710	-0.001	-0.001	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.043	-0.015	25.103	0.001	0.001	0.000	0.000	0.000	0.000
102	102	SER	0	0.019	0.005	22.677	-0.003	-0.003	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.067	-0.047	18.948	0.011	0.011	0.000	0.000	0.000	0.000
104	104	HIS	0	0.009	-0.022	13.883	-0.025	-0.025	0.000	0.000	0.000	0.000
105	105	ALA	0	0.009	0.011	14.612	0.023	0.023	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.054	-0.005	9.855	-0.038	-0.038	0.000	0.000	0.000	0.000
107	107	ILE	0	-0.011	0.000	9.714	0.085	0.085	0.000	0.000	0.000	0.000
108	108	GLY	0	0.012	0.008	8.064	0.021	0.021	0.000	0.000	0.000	0.000
109	109	GLY	0	0.017	0.004	8.694	-0.056	-0.056	0.000	0.000	0.000	0.000
110	110	THR	0	-0.011	0.011	11.262	0.006	0.006	0.000	0.000	0.000	0.000
111	111	ASN	0	0.047	0.016	11.825	-0.002	-0.002	0.000	0.000	0.000	0.000
112	112	VAL	0	0.089	0.048	8.447	0.026	0.026	0.000	0.000	0.000	0.000
113	113	ARG	1	0.926	0.966	11.602	0.256	0.256	0.000	0.000	0.000	0.000
114	114	ALA	0	0.025	-0.007	14.506	0.014	0.014	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.780	-0.866	10.255	0.080	0.080	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.021	-0.026	10.400	0.012	0.012	0.000	0.000	0.000	0.000
117	117	GLN	0	0.011	0.003	13.056	0.006	0.006	0.000	0.000	0.000	0.000
118	118	LYS	1	0.906	0.964	16.275	0.005	0.005	0.000	0.000	0.000	0.000
119	119	LEU	0	0.007	-0.010	11.163	0.008	0.008	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.074	-0.031	13.790	0.008	0.008	0.000	0.000	0.000	0.000
121	121	MET	0	-0.072	-0.034	17.108	0.003	0.003	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.978	-0.984	19.844	0.013	0.013	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.037	-0.001	17.751	0.009	0.009	0.000	0.000	0.000	0.000
124	124	PRO	0	0.015	0.005	17.225	0.010	0.010	0.000	0.000	0.000	0.000
125	125	HIS	0	0.116	0.079	18.577	0.021	0.021	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.008	-0.006	17.903	0.018	0.018	0.000	0.000	0.000	0.000
127	127	ILE	0	0.013	0.013	12.262	-0.014	-0.014	0.000	0.000	0.000	0.000
128	128	VAL	0	0.043	0.017	13.679	0.026	0.026	0.000	0.000	0.000	0.000
129	129	GLY	0	0.005	-0.014	10.565	-0.019	-0.019	0.000	0.000	0.000	0.000
130	130	THR	0	0.001	-0.018	6.411	-0.010	-0.010	0.000	0.000	0.000	0.000
138	138	LEU	0	0.000	0.016	6.541	-0.061	-0.061	0.000	0.000	0.000	0.000
141	141	ARG	1	0.888	0.947	6.688	-0.309	-0.309	0.000	0.000	0.000	0.000
142	142	TYR	0	-0.001	0.002	9.119	0.023	0.023	0.000	0.000	0.000	0.000
143	143	LEU	0	0.083	0.049	9.384	0.018	0.018	0.000	0.000	0.000	0.000
144	144	SER	0	0.001	-0.002	11.703	0.025	0.025	0.000	0.000	0.000	0.000
145	145	PRO	0	0.041	-0.001	12.278	-0.013	-0.013	0.000	0.000	0.000	0.000
146	146	LYS	1	0.890	0.950	15.033	-0.126	-0.126	0.000	0.000	0.000	0.000
147	147	TYR	0	0.001	0.006	17.795	-0.016	-0.016	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.053	-0.014	13.658	-0.008	-0.008	0.000	0.000	0.000	0.000
149	149	LYS	1	0.908	0.961	16.826	-0.100	-0.100	0.000	0.000	0.000	0.000
150	150	MET	0	-0.031	0.007	17.213	-0.001	-0.001	0.000	0.000	0.000	0.000
151	151	PHE	0	0.008	-0.005	8.082	0.003	0.003	0.000	0.000	0.000	0.000
152	152	VAL	0	-0.011	-0.014	13.791	-0.014	-0.014	0.000	0.000	0.000	0.000
153	153	LEU	0	0.012	0.004	10.595	0.029	0.029	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.780	-0.883	13.956	0.078	0.078	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.871	-0.949	14.396	0.087	0.087	0.000	0.000	0.000	0.000
156	156	ALA	0	0.001	-0.004	14.513	0.014	0.014	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.787	-0.843	14.422	0.154	0.154	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.834	-0.913	12.477	0.080	0.080	0.000	0.000	0.000	0.000
159	159	MET	0	-0.048	0.010	8.131	0.045	0.045	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.032	-0.024	9.988	0.118	0.118	0.000	0.000	0.000	0.000
161	161	SER	0	0.017	0.002	11.224	-0.022	-0.022	0.000	0.000	0.000	0.000
162	162	ARG	1	0.778	0.863	11.071	-0.057	-0.057	0.000	0.000	0.000	0.000
163	163	GLY	0	0.084	0.059	8.477	0.070	0.070	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.028	-0.015	5.870	0.048	0.048	0.000	0.000	0.000	0.000
165	165	LYS	1	0.924	0.970	7.286	-0.004	-0.004	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.917	-0.956	5.775	0.604	0.604	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.006	-0.006	6.812	-0.220	-0.220	0.000	0.000	0.000	0.000
172	172	PHE	0	-0.032	-0.024	5.422	0.151	0.151	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.024	-0.006	8.113	-0.021	-0.021	0.000	0.000	0.000	0.000
174	174	LYS	1	0.855	0.945	4.800	-2.329	-2.329	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.041	-0.016	8.941	-0.065	-0.065	0.000	0.000	0.000	0.000
176	176	ASN	0	0.006	0.006	11.325	-0.019	-0.019	0.000	0.000	0.000	0.000
177	177	SER	0	0.032	0.035	15.024	-0.014	-0.014	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.037	-0.038	16.560	-0.005	-0.005	0.000	0.000	0.000	0.000
179	179	THR	0	-0.010	-0.003	13.929	-0.013	-0.013	0.000	0.000	0.000	0.000
180	180	GLN	0	0.010	0.009	16.672	0.011	0.011	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.011	-0.010	14.256	0.019	0.019	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.030	-0.019	16.336	-0.023	-0.023	0.000	0.000	0.000	0.000
183	183	LEU	0	0.024	0.009	15.269	0.015	0.015	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.019	-0.008	17.971	-0.020	-0.020	0.000	0.000	0.000	0.000
185	185	SER	0	-0.016	-0.046	18.527	0.001	0.001	0.000	0.000	0.000	0.000
186	186	ALA	0	0.059	0.043	20.582	-0.001	-0.001	0.000	0.000	0.000	0.000
187	187	THR	0	-0.015	-0.013	20.323	-0.009	-0.009	0.000	0.000	0.000	0.000
188	188	MET	0	-0.031	-0.009	20.358	0.017	0.017	0.000	0.000	0.000	0.000
189	189	PRO	0	0.060	0.042	19.590	-0.004	-0.004	0.000	0.000	0.000	0.000
190	190	SER	0	0.001	-0.014	21.652	0.013	0.013	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.845	-0.926	19.045	0.151	0.151	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.018	-0.002	16.376	0.023	0.023	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.021	-0.013	18.576	0.009	0.009	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.865	-0.920	20.300	0.146	0.146	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.024	-0.016	13.927	0.008	0.008	0.000	0.000	0.000	0.000
196	196	THR	0	0.007	-0.019	15.866	0.011	0.011	0.000	0.000	0.000	0.000
197	197	LYS	1	0.814	0.906	17.175	-0.142	-0.142	0.000	0.000	0.000	0.000
198	198	LYS	1	0.909	0.974	12.479	-0.353	-0.353	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.005	-0.019	12.734	0.017	0.017	0.000	0.000	0.000	0.000
200	200	MET	0	-0.088	-0.015	15.613	-0.004	-0.004	0.000	0.000	0.000	0.000
201	201	ARG	1	0.780	0.851	17.435	-0.222	-0.222	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.929	-0.954	21.772	0.119	0.119	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.042	-0.010	21.096	-0.006	-0.006	0.000	0.000	0.000	0.000
204	204	ILE	0	0.025	0.000	23.400	-0.009	-0.009	0.000	0.000	0.000	0.000
205	205	ARG	1	0.918	0.970	23.225	-0.124	-0.124	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.031	-0.014	25.933	-0.009	-0.009	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.013	-0.016	25.295	0.004	0.004	0.000	0.000	0.000	0.000
208	208	VAL	0	0.004	0.004	28.084	-0.005	-0.005	0.000	0.000	0.000	0.000
209	209	LYS	1	0.927	0.961	29.180	-0.057	-0.057	0.000	0.000	0.000	0.000
210	210	LYS	1	0.949	0.966	28.246	-0.063	-0.063	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.937	-0.959	30.444	0.039	0.039	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.944	-0.979	32.825	0.039	0.039	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.077	-0.025	26.483	0.001	0.001	0.000	0.000	0.000	0.000
214	214	THR	0	0.000	-0.004	29.004	-0.002	-0.002	0.000	0.000	0.000	0.000
215	215	LEU	0	0.020	0.002	27.409	0.002	0.002	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.885	-0.937	31.896	0.028	0.028	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.093	-0.044	33.908	-0.003	-0.003	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.002	-0.004	30.254	-0.003	-0.003	0.000	0.000	0.000	0.000
219	219	ARG	1	0.950	0.987	33.848	-0.008	-0.008	0.000	0.000	0.000	0.000
220	220	GLN	0	0.062	0.034	31.674	-0.002	-0.002	0.000	0.000	0.000	0.000
221	221	PHE	0	0.034	0.010	34.796	0.001	0.001	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.028	-0.014	34.359	-0.001	-0.001	0.000	0.000	0.000	0.000
223	223	ILE	0	0.066	0.031	35.908	0.000	0.000	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.033	-0.021	36.459	-0.001	-0.001	0.000	0.000	0.000	0.000
225	225	VAL	0	0.038	0.009	34.969	-0.001	-0.001	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.841	-0.892	38.024	0.001	0.001	0.000	0.000	0.000	0.000
227	227	ARG	1	0.918	0.938	36.307	0.009	0.009	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.713	-0.849	29.779	-0.019	-0.019	0.000	0.000	0.000	0.000
229	229	GLU	-1	-1.006	-1.008	33.679	-0.020	-0.020	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.009	0.017	36.142	-0.001	-0.001	0.000	0.000	0.000	0.000
231	231	LYS	1	0.798	0.892	28.663	0.017	0.017	0.000	0.000	0.000	0.000
232	232	LEU	0	0.014	0.005	32.850	-0.001	-0.001	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.807	-0.906	34.798	-0.018	-0.018	0.000	0.000	0.000	0.000
234	234	THR	0	-0.009	-0.003	36.403	0.001	0.001	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.034	-0.019	31.591	0.001	0.001	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.060	-0.026	35.635	-0.001	-0.001	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.869	-0.911	38.217	-0.011	-0.011	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.045	-0.024	34.360	0.001	0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.017	-0.030	32.200	0.000	0.000	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.844	-0.895	37.223	-0.014	-0.014	0.000	0.000	0.000	0.000
241	241	THR	0	-0.078	-0.058	36.319	0.001	0.001	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.002	-0.003	31.679	0.001	0.001	0.000	0.000	0.000	0.000
243	243	THR	0	-0.038	-0.028	35.809	-0.002	-0.002	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.061	-0.021	38.617	0.001	0.001	0.000	0.000	0.000	0.000
245	245	THR	0	-0.052	-0.036	34.457	0.001	0.001	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.041	-0.004	29.074	0.001	0.001	0.000	0.000	0.000	0.000
247	247	ALA	0	0.009	-0.002	30.101	0.003	0.003	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.010	-0.006	23.496	-0.004	-0.004	0.000	0.000	0.000	0.000
249	249	ILE	0	0.003	0.007	26.049	0.005	0.005	0.000	0.000	0.000	0.000
250	250	PHE	0	0.032	0.013	20.259	-0.006	-0.006	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.042	-0.029	21.809	0.006	0.006	0.000	0.000	0.000	0.000
252	252	ASN	0	0.013	-0.015	20.447	-0.008	-0.008	0.000	0.000	0.000	0.000
253	253	THR	0	-0.038	-0.009	18.707	-0.003	-0.003	0.000	0.000	0.000	0.000
254	254	ARG	1	0.920	0.926	11.057	0.336	0.336	0.000	0.000	0.000	0.000
255	255	ARG	1	0.944	0.985	18.752	0.056	0.056	0.000	0.000	0.000	0.000
256	256	LYS	1	0.767	0.845	21.809	0.031	0.031	0.000	0.000	0.000	0.000
257	257	VAL	0	0.059	0.040	20.716	0.006	0.006	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.938	-0.960	21.935	-0.083	-0.083	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.022	-0.011	23.732	0.006	0.006	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.025	-0.016	26.615	0.004	0.004	0.000	0.000	0.000	0.000
261	261	THR	0	-0.007	-0.019	25.267	0.004	0.004	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.899	-0.938	27.980	-0.050	-0.050	0.000	0.000	0.000	0.000
263	263	LYS	1	0.893	0.937	30.004	0.041	0.041	0.000	0.000	0.000	0.000
264	264	MET	0	0.013	-0.002	31.626	0.003	0.003	0.000	0.000	0.000	0.000
265	265	HIS	0	0.013	0.018	31.720	0.003	0.003	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.045	-0.021	33.732	0.002	0.002	0.000	0.000	0.000	0.000
267	267	ARG	1	0.749	0.849	35.882	0.025	0.025	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.921	-0.951	37.185	-0.026	-0.026	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.020	-0.006	35.434	0.001	0.001	0.000	0.000	0.000	0.000
270	270	THR	0	-0.009	-0.008	32.851	-0.003	-0.003	0.000	0.000	0.000	0.000
271	271	VAL	0	0.008	0.001	28.713	0.001	0.001	0.000	0.000	0.000	0.000
272	272	SER	0	0.013	0.016	25.789	-0.003	-0.003	0.000	0.000	0.000	0.000
273	273	ALA	0	0.018	0.025	22.170	0.003	0.003	0.000	0.000	0.000	0.000
274	274	MET	0	-0.028	-0.024	18.346	-0.010	-0.010	0.000	0.000	0.000	0.000
275	275	HIS	0	0.055	0.024	16.679	-0.001	-0.001	0.000	0.000	0.000	0.000
276	276	GLY	0	0.028	-0.011	12.958	-0.004	-0.004	0.000	0.000	0.000	0.000
277	277	ASP	-1	-0.895	-0.929	13.306	-0.251	-0.251	0.000	0.000	0.000	0.000
278	278	MET	0	-0.102	-0.018	15.801	0.014	0.014	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.860	-0.930	14.353	-0.257	-0.257	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.004	-0.026	13.230	-0.021	-0.021	0.000	0.000	0.000	0.000
281	281	LYS	1	0.908	0.943	15.507	0.146	0.146	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.893	-0.929	18.484	-0.097	-0.097	0.000	0.000	0.000	0.000
283	283	ARG	1	0.766	0.836	11.284	0.275	0.275	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.867	-0.931	18.361	-0.046	-0.046	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.023	-0.002	19.816	0.012	0.012	0.000	0.000	0.000	0.000
286	286	ILE	0	0.058	0.024	21.866	0.009	0.009	0.000	0.000	0.000	0.000
287	287	MET	0	0.025	0.016	19.070	0.006	0.006	0.000	0.000	0.000	0.000
288	288	ARG	1	0.816	0.903	21.789	0.061	0.061	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.910	-0.937	24.410	-0.036	-0.036	0.000	0.000	0.000	0.000
290	290	PHE	0	0.026	0.026	24.468	0.005	0.005	0.000	0.000	0.000	0.000
291	291	ARG	1	0.936	0.964	20.625	0.036	0.036	0.000	0.000	0.000	0.000
292	292	SER	0	-0.093	-0.057	26.031	0.005	0.005	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.005	0.000	29.122	0.003	0.003	0.000	0.000	0.000	0.000
294	294	SER	0	-0.040	-0.016	30.396	0.001	0.001	0.000	0.000	0.000	0.000
295	295	SER	0	-0.010	-0.004	28.001	0.001	0.001	0.000	0.000	0.000	0.000
296	296	ARG	1	0.948	0.956	29.591	0.017	0.017	0.000	0.000	0.000	0.000
297	297	VAL	0	0.025	0.005	28.210	0.003	0.003	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.040	-0.003	22.039	-0.005	-0.005	0.000	0.000	0.000	0.000
299	299	ILE	0	0.022	0.014	24.386	0.006	0.006	0.000	0.000	0.000	0.000
300	300	THR	0	-0.069	-0.061	19.448	-0.010	-0.010	0.000	0.000	0.000	0.000
301	301	THR	0	0.064	0.013	16.071	0.014	0.014	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.801	-0.893	16.515	-0.020	-0.020	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.032	0.008	12.948	0.004	0.004	0.000	0.000	0.000	0.000
304	304	LEU	0	0.012	-0.009	15.120	0.014	0.014	0.000	0.000	0.000	0.000
305	305	ALA	0	-0.017	0.001	17.707	0.015	0.015	0.000	0.000	0.000	0.000
306	306	ARG	1	0.775	0.859	15.393	-0.068	-0.068	0.000	0.000	0.000	0.000
307	307	GLY	0	0.043	0.018	18.055	-0.009	-0.009	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.052	-0.020	17.714	0.003	0.003	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.876	-0.926	21.254	0.019	0.019	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.006	-0.010	24.551	-0.003	-0.003	0.000	0.000	0.000	0.000
311	311	GLN	0	-0.004	0.008	27.191	0.000	0.000	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.034	-0.035	30.996	0.003	0.003	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.007	0.014	27.191	-0.001	-0.001	0.000	0.000	0.000	0.000
314	314	SER	0	-0.032	-0.035	30.452	0.004	0.004	0.000	0.000	0.000	0.000
315	315	LEU	0	0.004	0.003	31.934	0.003	0.003	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.002	0.002	26.679	-0.003	-0.003	0.000	0.000	0.000	0.000
317	317	ILE	0	0.013	-0.002	28.526	0.003	0.003	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.011	-0.004	26.116	-0.007	-0.007	0.000	0.000	0.000	0.000
319	319	TYR	0	0.077	0.028	27.410	0.003	0.003	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.764	-0.854	24.689	-0.027	-0.027	0.000	0.000	0.000	0.000
321	321	LEU	0	0.040	0.020	25.885	0.001	0.001	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.014	0.026	22.358	-0.001	-0.001	0.000	0.000	0.000	0.000
323	323	THR	0	0.060	0.011	20.827	0.001	0.001	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.063	-0.036	18.627	0.007	0.007	0.000	0.000	0.000	0.000
325	325	ARG	1	1.000	1.000	21.416	-0.047	-0.047	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.822	-0.916	20.657	0.078	0.078	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.057	-0.036	18.555	-0.005	-0.005	0.000	0.000	0.000	0.000
328	328	TYR	0	-0.005	-0.013	20.921	-0.008	-0.008	0.000	0.000	0.000	0.000
329	329	ILE	0	0.012	0.008	24.193	-0.005	-0.005	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.064	-0.027	20.468	-0.006	-0.006	0.000	0.000	0.000	0.000
331	331	ARG	1	0.820	0.882	20.813	0.009	0.009	0.000	0.000	0.000	0.000
332	332	ILE	0	0.014	0.007	23.442	-0.003	-0.003	0.000	0.000	0.000	0.000
333	333	GLY	0	0.004	0.020	25.860	-0.001	-0.001	0.000	0.000	0.000	0.000
334	334	ARG	1	0.780	0.885	21.200	-0.016	-0.016	0.000	0.000	0.000	0.000
335	335	GLY	0	0.017	0.012	25.355	-0.004	-0.004	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.015	-0.013	29.115	0.003	0.003	0.000	0.000	0.000	0.000
337	337	ARG	1	0.786	0.916	26.801	-0.014	-0.014	0.000	0.000	0.000	0.000
338	338	PHE	0	0.003	-0.013	30.819	-0.001	-0.001	0.000	0.000	0.000	0.000
339	339	GLY	0	-0.004	0.004	33.047	-0.001	-0.001	0.000	0.000	0.000	0.000
340	340	ARG	1	0.778	0.872	34.753	-0.002	-0.002	0.000	0.000	0.000	0.000
341	341	LYS	1	0.901	0.943	34.916	-0.015	-0.015	0.000	0.000	0.000	0.000
342	342	GLY	0	0.092	0.058	33.668	-0.001	-0.001	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.035	-0.010	33.728	0.001	0.001	0.000	0.000	0.000	0.000
344	344	ALA	0	0.019	0.006	30.542	-0.002	-0.002	0.000	0.000	0.000	0.000
345	345	ILE	0	0.005	0.009	31.825	0.001	0.001	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.015	-0.016	29.904	-0.003	-0.003	0.000	0.000	0.000	0.000
347	347	MET	0	-0.012	-0.004	31.321	0.000	0.000	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.017	-0.001	31.951	-0.001	-0.001	0.000	0.000	0.000	0.000
349	349	THR	0	-0.034	-0.038	32.051	-0.001	-0.001	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.860	-0.952	34.545	0.008	0.008	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.944	-0.961	31.971	0.007	0.007	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.857	-0.900	29.783	0.001	0.001	0.000	0.000	0.000	0.000
353	353	LYS	1	0.805	0.899	31.832	-0.002	-0.002	0.000	0.000	0.000	0.000
354	354	ARG	1	0.877	0.925	32.162	-0.025	-0.025	0.000	0.000	0.000	0.000
355	355	THR	0	0.037	0.010	27.231	0.004	0.004	0.000	0.000	0.000	0.000
356	356	LEU	0	0.019	0.019	30.384	0.003	0.003	0.000	0.000	0.000	0.000
357	357	ARG	1	0.865	0.922	32.489	-0.017	-0.017	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.873	-0.915	29.767	0.035	0.035	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.028	-0.011	27.699	0.004	0.004	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.766	-0.870	30.225	0.023	0.023	0.000	0.000	0.000	0.000
361	361	THR	0	-0.086	-0.061	33.251	0.001	0.001	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.120	-0.053	25.406	0.004	0.004	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.027	-0.053	25.336	0.004	0.004	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.012	0.004	31.953	0.001	0.001	0.000	0.000	0.000	0.000
365	365	THR	0	-0.023	0.000	34.384	-0.002	-0.002	0.000	0.000	0.000	0.000
366	366	SER	0	-0.051	-0.046	35.746	0.001	0.001	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.038	-0.020	32.080	-0.001	-0.001	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.877	-0.914	36.374	0.013	0.013	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.961	-0.986	38.676	0.004	0.004	0.000	0.000	0.000	0.000
370	370	MET	0	-0.064	-0.028	38.844	-0.001	-0.001	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.001	0.020	40.666	-0.001	-0.001	0.000	0.000	0.000	0.000
372	372	LEU	0	0.025	-0.019	43.090	-0.001	-0.001	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.083	-0.042	44.960	-0.001	-0.001	0.000	0.000	0.000	0.000
374	374	VAL	0	0.037	0.025	38.607	0.000	0.000	0.000	0.000	0.000	0.000
375	375	ALA	0	0.025	-0.002	41.023	0.000	0.000	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.895	-0.936	42.518	0.001	0.001	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.138	-0.073	40.643	0.001	0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.758	-0.817	36.764	0.001	0.001	0.000	0.000	0.000	0.000
379	379	A	-1	-0.534	-0.630	13.487	0.272	0.272	0.000	0.000	0.000	0.000
380	379	A	0	-0.367	-0.304	19.063	-0.014	-0.014	0.000	0.000	0.000	0.000
381	380	G	-1	-0.512	-0.614	13.660	0.122	0.122	0.000	0.000	0.000	0.000
382	380	G	0	-0.364	-0.318	16.514	0.009	0.009	0.000	0.000	0.000	0.000
383	381	A	-1	-0.588	-0.664	14.549	-0.011	-0.011	0.000	0.000	0.000	0.000
384	381	A	0	-0.383	-0.320	16.212	-0.003	-0.003	0.000	0.000	0.000	0.000
385	382	G	-1	-0.548	-0.670	15.046	-0.110	-0.110	0.000	0.000	0.000	0.000
386	382	G	0	-0.339	-0.299	13.217	0.040	0.040	0.000	0.000	0.000	0.000
387	383	A	-1	-0.490	-0.593	11.425	-0.213	-0.213	0.000	0.000	0.000	0.000
388	383	A	0	-0.328	-0.293	9.268	-0.028	-0.028	0.000	0.000	0.000	0.000
389	384	G	-1	-0.450	-0.571	7.223	-0.181	-0.181	0.000	0.000	0.000	0.000
390	384	G	0	-0.378	-0.307	5.457	-0.259	-0.259	0.000	0.000	0.000	0.000
395	387	A	-1	-0.591	-0.669	6.049	-0.415	-0.415	0.000	0.000	0.000	0.000
396	387	A	0	-0.349	-0.294	5.695	-0.213	-0.213	0.000	0.000	0.000	0.000
397	388	G	0	0.271	0.224	8.638	0.018	0.018	0.000	0.000	0.000	0.000

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