FMO DATABASE

FMODB ID: 72Q7K

Calculation Name: 6XKI-A-MD433-91ns

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	-7629406.860114
FMO2-HF: Nuclear repulsion	7460053.115831
FMO2-HF: Total energy	-169353.744283
FMO2-MP2: Total energy	-169831.840072

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.
-305.027736	-257.961181	57.686969	-23.496181	-81.257343	0.119040

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.
-48.531	-17.258	32.686	-13.742	-50.222	-0.055

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 : -0.111 / q_NPA : -0.033

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	0.034	0.008	3.533	-0.696	0.061	0.048	-0.184	-0.621	0.000
132	132	GLY	0	0.048	0.026	2.564	-2.653	-0.172	6.383	-4.363	-4.502	-0.005
133	133	ARG	1	0.844	0.894	2.631	1.316	-0.464	0.827	3.198	-2.245	-0.016
134	134	VAL	0	0.031	0.003	5.144	-0.198	-0.065	-0.001	-0.009	-0.122	0.000
135	135	PHE	0	0.034	0.017	2.721	-9.817	-4.163	7.475	-3.107	-10.023	0.001
136	136	ASP	-1	-0.786	-0.860	2.468	-4.737	-2.373	0.727	-0.986	-2.106	0.000
137	137	MET	0	-0.026	-0.013	3.261	0.616	0.647	0.042	0.249	-0.322	0.000
139	139	ASN	0	-0.112	-0.071	2.833	-0.976	0.221	1.293	-0.595	-1.895	-0.005
140	140	ARG	1	0.826	0.908	5.013	0.925	1.036	-0.001	-0.002	-0.108	0.000
166	166	ASP	-1	-0.916	-0.959	4.400	0.230	0.458	-0.001	-0.038	-0.190	0.000
167	167	GLN	0	0.068	0.031	2.540	-8.194	-4.080	7.432	-3.432	-8.114	0.001
168	168	ILE	0	-0.010	-0.013	3.281	-1.235	-1.579	0.061	1.395	-1.112	-0.001
170	170	ASP	-1	-0.906	-0.941	2.905	-1.341	0.148	0.173	-0.458	-1.204	-0.003
171	171	ILE	0	-0.040	-0.022	3.316	-0.606	0.323	0.095	-0.137	-0.887	0.000
391	385	G	0	-0.309	-0.280	2.045	-4.966	-3.119	1.946	-1.253	-2.539	-0.009
392	385	G	-1	-0.470	-0.578	2.587	-4.753	-2.372	0.661	-1.035	-2.007	-0.008
393	386	G	0	-0.363	-0.311	2.533	-8.740	-0.067	5.241	-2.584	-11.332	-0.011
394	386	G	-1	-0.586	-0.675	2.776	-1.621	-0.613	0.285	-0.401	-0.893	0.001
1	1	GLU	0	-0.132	-0.075	35.773	0.001	0.001	0.000	0.000	0.000	0.000
2	2	ILE	0	0.025	-0.001	38.500	0.000	0.000	0.000	0.000	0.000	0.000
3	3	VAL	0	0.058	0.035	35.733	0.001	0.001	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.908	-0.952	37.840	-0.050	-0.050	0.000	0.000	0.000	0.000
5	5	SER	0	0.026	-0.017	38.419	-0.004	-0.004	0.000	0.000	0.000	0.000
6	6	PHE	0	0.012	-0.012	31.364	0.001	0.001	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.814	-0.882	36.153	-0.055	-0.055	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.880	-0.931	38.905	-0.043	-0.043	0.000	0.000	0.000	0.000
9	9	MET	0	-0.151	-0.071	32.696	0.001	0.001	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.055	-0.033	35.176	0.001	0.001	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.018	0.004	31.201	-0.001	-0.001	0.000	0.000	0.000	0.000
12	12	SER	0	0.030	0.015	33.624	0.002	0.002	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.888	-0.958	35.234	-0.058	-0.058	0.000	0.000	0.000	0.000
14	14	SER	0	-0.025	-0.022	33.899	-0.005	-0.005	0.000	0.000	0.000	0.000
15	15	LEU	0	0.003	0.009	28.934	-0.006	-0.006	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.007	-0.002	32.608	-0.005	-0.005	0.000	0.000	0.000	0.000
17	17	ARG	1	0.914	0.971	35.459	0.075	0.075	0.000	0.000	0.000	0.000
18	18	GLY	0	0.072	0.037	32.097	-0.002	-0.002	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.045	-0.026	31.539	-0.006	-0.006	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.028	-0.024	33.093	-0.002	-0.002	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.020	0.014	34.231	0.003	0.003	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.061	-0.040	26.612	-0.007	-0.007	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.005	-0.003	32.565	-0.003	-0.003	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.054	-0.020	28.335	0.001	0.001	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.871	-0.935	34.186	-0.081	-0.081	0.000	0.000	0.000	0.000
26	26	LYS	1	0.880	0.929	36.297	0.063	0.063	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.024	0.009	32.856	-0.005	-0.005	0.000	0.000	0.000	0.000
28	28	SER	0	0.036	0.009	29.788	0.006	0.006	0.000	0.000	0.000	0.000
29	29	ALA	0	0.059	0.013	32.898	0.003	0.003	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.024	-0.006	26.767	0.006	0.006	0.000	0.000	0.000	0.000
31	31	GLN	0	0.037	0.014	27.517	0.009	0.009	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.032	-0.030	30.072	0.001	0.001	0.000	0.000	0.000	0.000
33	33	ARG	1	0.856	0.922	31.378	0.056	0.056	0.000	0.000	0.000	0.000
34	34	ALA	0	0.006	0.003	26.002	0.004	0.004	0.000	0.000	0.000	0.000
35	35	ILE	0	0.021	0.019	26.602	-0.001	-0.001	0.000	0.000	0.000	0.000
36	36	LEU	0	0.021	0.012	27.972	0.001	0.001	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.018	-0.019	26.981	0.004	0.004	0.000	0.000	0.000	0.000
38	38	CYS	0	0.026	0.023	22.917	0.001	0.001	0.000	0.000	0.000	0.000
39	39	ILE	0	0.016	0.020	24.648	0.001	0.001	0.000	0.000	0.000	0.000
40	40	LYS	1	0.865	0.943	27.144	0.019	0.019	0.000	0.000	0.000	0.000
41	41	GLY	0	0.040	0.028	24.140	0.008	0.008	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.009	-0.004	23.424	0.006	0.006	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.699	-0.822	19.593	-0.014	-0.014	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.048	-0.028	20.582	0.003	0.003	0.000	0.000	0.000	0.000
45	45	ILE	0	-0.001	0.000	19.696	-0.008	-0.008	0.000	0.000	0.000	0.000
46	46	ALA	0	0.013	0.000	21.956	0.007	0.007	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.020	-0.017	23.277	-0.003	-0.003	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.020	-0.017	23.481	0.003	0.003	0.000	0.000	0.000	0.000
49	49	GLN	0	0.092	0.048	24.288	-0.019	-0.019	0.000	0.000	0.000	0.000
50	50	SER	0	0.003	0.012	26.090	-0.008	-0.008	0.000	0.000	0.000	0.000
51	51	GLY	0	0.018	0.010	27.000	0.009	0.009	0.000	0.000	0.000	0.000
52	52	THR	0	-0.061	-0.041	27.354	0.006	0.006	0.000	0.000	0.000	0.000
53	53	GLY	0	0.076	0.050	27.111	0.006	0.006	0.000	0.000	0.000	0.000
54	54	LYS	1	0.800	0.877	19.005	0.226	0.226	0.000	0.000	0.000	0.000
55	55	THR	0	0.030	0.004	20.356	0.003	0.003	0.000	0.000	0.000	0.000
56	56	ALA	0	0.055	0.026	22.278	0.001	0.001	0.000	0.000	0.000	0.000
57	57	THR	0	-0.021	-0.012	24.182	0.011	0.011	0.000	0.000	0.000	0.000
58	58	PHE	0	0.046	0.031	18.259	0.009	0.009	0.000	0.000	0.000	0.000
59	59	ALA	0	0.003	0.003	22.079	0.005	0.005	0.000	0.000	0.000	0.000
60	60	ILE	0	0.024	0.010	23.093	0.005	0.005	0.000	0.000	0.000	0.000
61	61	SER	0	-0.008	-0.029	23.816	0.010	0.010	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.012	0.005	19.022	0.007	0.007	0.000	0.000	0.000	0.000
63	63	LEU	0	0.002	-0.009	22.998	0.007	0.007	0.000	0.000	0.000	0.000
64	64	GLN	0	0.027	0.013	25.573	0.002	0.002	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.075	-0.041	23.834	0.013	0.013	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.081	-0.038	21.934	0.000	0.000	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.885	-0.938	25.718	-0.045	-0.045	0.000	0.000	0.000	0.000
68	68	LEU	0	0.009	-0.017	26.895	-0.007	-0.007	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.878	-0.923	28.622	-0.063	-0.063	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.137	-0.073	23.589	0.001	0.001	0.000	0.000	0.000	0.000
71	71	LYS	1	0.935	0.964	22.965	0.085	0.085	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.009	0.002	18.593	-0.014	-0.014	0.000	0.000	0.000	0.000
73	73	THR	0	-0.018	-0.015	15.825	0.001	0.001	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.018	-0.011	17.621	0.014	0.014	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.015	-0.005	16.956	0.016	0.016	0.000	0.000	0.000	0.000
76	76	LEU	0	0.004	0.007	9.465	-0.024	-0.024	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.007	0.000	14.009	0.026	0.026	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.018	-0.013	7.176	-0.039	-0.039	0.000	0.000	0.000	0.000
79	79	ALA	0	0.033	-0.001	10.349	0.063	0.063	0.000	0.000	0.000	0.000
80	80	PRO	0	0.069	0.027	8.393	-0.102	-0.102	0.000	0.000	0.000	0.000
81	81	THR	0	-0.016	-0.001	8.565	-0.220	-0.220	0.000	0.000	0.000	0.000
82	82	ARG	1	0.849	0.885	7.547	1.677	1.677	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.752	-0.863	11.486	-0.574	-0.574	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.006	0.005	13.755	0.070	0.070	0.000	0.000	0.000	0.000
85	85	ALA	0	-0.009	0.002	12.345	0.055	0.055	0.000	0.000	0.000	0.000
86	86	GLN	0	0.020	-0.001	14.471	0.085	0.085	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.043	-0.022	17.256	0.042	0.042	0.000	0.000	0.000	0.000
88	88	ILE	0	-0.022	-0.015	15.402	0.032	0.032	0.000	0.000	0.000	0.000
89	89	GLN	0	0.044	0.003	18.097	0.026	0.026	0.000	0.000	0.000	0.000
90	90	LYS	1	0.910	0.958	19.714	0.257	0.257	0.000	0.000	0.000	0.000
91	91	VAL	0	0.036	0.024	22.732	0.016	0.016	0.000	0.000	0.000	0.000
92	92	VAL	0	0.003	-0.006	20.036	0.015	0.015	0.000	0.000	0.000	0.000
93	93	MET	0	-0.019	0.004	22.713	0.010	0.010	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.016	0.006	25.266	0.010	0.010	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.040	-0.019	26.018	0.011	0.011	0.000	0.000	0.000	0.000
96	96	GLY	0	0.004	-0.012	27.184	0.010	0.010	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.952	-0.970	28.160	-0.118	-0.118	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.020	-0.014	30.711	0.005	0.005	0.000	0.000	0.000	0.000
99	99	MET	0	-0.055	-0.020	28.841	0.003	0.003	0.000	0.000	0.000	0.000
100	100	GLY	0	0.033	0.027	29.630	0.004	0.004	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.035	-0.014	24.774	-0.001	-0.001	0.000	0.000	0.000	0.000
102	102	SER	0	-0.049	-0.042	23.020	-0.009	-0.009	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.044	-0.040	18.903	-0.004	-0.004	0.000	0.000	0.000	0.000
104	104	HIS	0	0.003	-0.005	14.549	0.029	0.029	0.000	0.000	0.000	0.000
105	105	ALA	0	0.016	0.011	15.178	-0.009	-0.009	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.089	-0.028	10.712	-0.042	-0.042	0.000	0.000	0.000	0.000
107	107	ILE	0	-0.015	-0.013	10.024	-0.049	-0.049	0.000	0.000	0.000	0.000
108	108	GLY	0	0.015	0.008	8.014	0.048	0.048	0.000	0.000	0.000	0.000
109	109	GLY	0	0.018	0.001	8.713	0.061	0.061	0.000	0.000	0.000	0.000
110	110	THR	0	0.000	0.006	10.797	0.112	0.112	0.000	0.000	0.000	0.000
111	111	ASN	0	0.050	0.025	11.156	-0.031	-0.031	0.000	0.000	0.000	0.000
112	112	VAL	0	0.103	0.053	7.576	0.038	0.038	0.000	0.000	0.000	0.000
113	113	ARG	1	0.938	0.974	10.978	0.293	0.293	0.000	0.000	0.000	0.000
114	114	ALA	0	0.035	-0.003	13.586	0.026	0.026	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.789	-0.878	10.989	-0.488	-0.488	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.004	-0.007	11.619	0.031	0.031	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.062	-0.034	13.723	0.038	0.038	0.000	0.000	0.000	0.000
118	118	LYS	1	0.937	0.956	17.023	0.297	0.297	0.000	0.000	0.000	0.000
119	119	LEU	0	0.018	0.023	12.350	0.011	0.011	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.029	-0.014	16.875	0.011	0.011	0.000	0.000	0.000	0.000
121	121	MET	0	-0.095	-0.040	18.898	0.022	0.022	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.854	-0.903	20.019	-0.172	-0.172	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.065	-0.018	20.193	0.013	0.013	0.000	0.000	0.000	0.000
124	124	PRO	0	0.002	0.022	17.655	0.011	0.011	0.000	0.000	0.000	0.000
125	125	HIS	0	0.083	0.047	19.495	-0.016	-0.016	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.044	-0.027	17.841	0.008	0.008	0.000	0.000	0.000	0.000
127	127	ILE	0	0.017	0.004	12.295	-0.019	-0.019	0.000	0.000	0.000	0.000
128	128	VAL	0	0.018	0.012	13.896	0.018	0.018	0.000	0.000	0.000	0.000
129	129	GLY	0	0.013	-0.001	10.737	-0.013	-0.013	0.000	0.000	0.000	0.000
130	130	THR	0	-0.014	-0.029	6.279	0.141	0.141	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.007	0.006	6.485	0.164	0.164	0.000	0.000	0.000	0.000
141	141	ARG	1	0.882	0.949	7.343	-0.004	-0.004	0.000	0.000	0.000	0.000
142	142	TYR	0	0.050	0.043	9.948	0.055	0.055	0.000	0.000	0.000	0.000
143	143	LEU	0	0.022	0.012	9.801	0.048	0.048	0.000	0.000	0.000	0.000
144	144	SER	0	0.020	-0.011	11.684	0.026	0.026	0.000	0.000	0.000	0.000
145	145	PRO	0	0.040	0.024	12.240	-0.009	-0.009	0.000	0.000	0.000	0.000
146	146	LYS	1	0.866	0.947	15.092	0.011	0.011	0.000	0.000	0.000	0.000
147	147	TYR	0	0.005	-0.019	17.328	0.009	0.009	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.020	0.005	13.509	-0.005	-0.005	0.000	0.000	0.000	0.000
149	149	LYS	1	0.939	0.984	16.651	0.090	0.090	0.000	0.000	0.000	0.000
150	150	MET	0	-0.033	-0.009	17.147	0.012	0.012	0.000	0.000	0.000	0.000
151	151	PHE	0	0.004	-0.004	8.549	-0.030	-0.030	0.000	0.000	0.000	0.000
152	152	VAL	0	0.015	-0.002	13.938	0.019	0.019	0.000	0.000	0.000	0.000
153	153	LEU	0	-0.007	-0.003	10.521	-0.024	-0.024	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.793	-0.880	14.100	-0.221	-0.221	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.814	-0.906	13.785	-0.280	-0.280	0.000	0.000	0.000	0.000
156	156	ALA	0	0.022	0.004	14.261	-0.004	-0.004	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.784	-0.841	14.751	-0.154	-0.154	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.889	-0.929	11.461	-0.371	-0.371	0.000	0.000	0.000	0.000
159	159	MET	0	-0.060	-0.005	8.892	-0.009	-0.009	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.064	-0.040	10.409	0.088	0.088	0.000	0.000	0.000	0.000
161	161	SER	0	0.025	0.004	11.186	0.019	0.019	0.000	0.000	0.000	0.000
162	162	ARG	1	0.789	0.866	10.681	0.066	0.066	0.000	0.000	0.000	0.000
163	163	GLY	0	0.078	0.065	8.549	0.060	0.060	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.029	-0.010	5.511	0.116	0.116	0.000	0.000	0.000	0.000
165	165	LYS	1	0.920	0.974	6.645	0.206	0.206	0.000	0.000	0.000	0.000
169	169	TYR	0	0.028	0.007	6.145	-0.228	-0.228	0.000	0.000	0.000	0.000
172	172	PHE	0	-0.038	-0.021	5.433	0.214	0.214	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.036	-0.033	6.939	0.235	0.235	0.000	0.000	0.000	0.000
174	174	LYS	1	0.900	0.970	5.858	-0.769	-0.769	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.017	-0.004	9.013	0.006	0.006	0.000	0.000	0.000	0.000
176	176	ASN	0	0.030	0.012	11.624	0.083	0.083	0.000	0.000	0.000	0.000
177	177	SER	0	0.056	0.045	15.021	-0.031	-0.031	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.064	-0.047	16.017	-0.005	-0.005	0.000	0.000	0.000	0.000
179	179	THR	0	-0.058	-0.019	14.113	-0.017	-0.017	0.000	0.000	0.000	0.000
180	180	GLN	0	0.019	0.009	16.717	0.004	0.004	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.029	-0.022	14.374	-0.018	-0.018	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.009	-0.002	16.454	0.008	0.008	0.000	0.000	0.000	0.000
183	183	LEU	0	0.011	0.001	14.999	-0.016	-0.016	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.014	-0.011	17.854	0.010	0.010	0.000	0.000	0.000	0.000
185	185	SER	0	-0.031	-0.033	18.038	-0.024	-0.024	0.000	0.000	0.000	0.000
186	186	ALA	0	0.034	0.035	20.134	0.015	0.015	0.000	0.000	0.000	0.000
187	187	THR	0	0.006	-0.013	19.971	0.011	0.011	0.000	0.000	0.000	0.000
188	188	MET	0	-0.020	-0.020	20.005	-0.005	-0.005	0.000	0.000	0.000	0.000
189	189	PRO	0	0.056	0.040	19.373	0.012	0.012	0.000	0.000	0.000	0.000
190	190	SER	0	0.006	-0.009	21.168	0.004	0.004	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.864	-0.925	19.132	0.003	0.003	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.013	-0.003	15.967	0.011	0.011	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.026	-0.032	17.754	0.009	0.009	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.855	-0.886	19.960	0.045	0.045	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.025	-0.014	13.226	0.016	0.016	0.000	0.000	0.000	0.000
196	196	THR	0	-0.053	-0.045	15.980	0.012	0.012	0.000	0.000	0.000	0.000
197	197	LYS	1	0.870	0.910	17.113	-0.041	-0.041	0.000	0.000	0.000	0.000
198	198	LYS	1	0.876	0.951	10.474	-0.113	-0.113	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.025	-0.021	12.614	0.016	0.016	0.000	0.000	0.000	0.000
200	200	MET	0	-0.059	0.005	14.788	-0.011	-0.011	0.000	0.000	0.000	0.000
201	201	ARG	1	0.767	0.844	17.256	-0.014	-0.014	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.962	-0.975	21.540	0.009	0.009	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.003	0.009	21.158	-0.004	-0.004	0.000	0.000	0.000	0.000
204	204	ILE	0	0.034	0.019	23.634	0.001	0.001	0.000	0.000	0.000	0.000
205	205	ARG	1	0.941	0.974	22.896	0.002	0.002	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.030	-0.013	26.163	0.003	0.003	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.016	-0.016	24.790	-0.006	-0.006	0.000	0.000	0.000	0.000
208	208	VAL	0	0.000	0.005	27.930	0.004	0.004	0.000	0.000	0.000	0.000
209	209	LYS	1	0.950	0.979	28.474	0.036	0.036	0.000	0.000	0.000	0.000
210	210	LYS	1	0.853	0.903	27.481	0.053	0.053	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.797	-0.893	28.811	-0.060	-0.060	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.981	-0.980	31.881	-0.060	-0.060	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.040	-0.022	25.356	-0.004	-0.004	0.000	0.000	0.000	0.000
214	214	THR	0	-0.037	-0.025	29.362	-0.008	-0.008	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.012	-0.009	28.163	0.001	0.001	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.864	-0.922	32.497	-0.073	-0.073	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.081	-0.040	35.119	0.002	0.002	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.036	-0.016	30.445	-0.001	-0.001	0.000	0.000	0.000	0.000
219	219	ARG	1	0.846	0.914	33.850	0.097	0.097	0.000	0.000	0.000	0.000
220	220	GLN	0	0.045	0.036	32.416	-0.012	-0.012	0.000	0.000	0.000	0.000
221	221	PHE	0	0.041	0.013	34.718	0.006	0.006	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.045	-0.019	34.322	-0.008	-0.008	0.000	0.000	0.000	0.000
223	223	ILE	0	0.048	0.012	35.601	0.003	0.003	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.024	-0.016	36.356	-0.002	-0.002	0.000	0.000	0.000	0.000
225	225	VAL	0	0.031	0.020	35.104	0.002	0.002	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.941	-0.966	37.057	-0.057	-0.057	0.000	0.000	0.000	0.000
227	227	ARG	1	0.924	0.957	35.992	0.072	0.072	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.714	-0.842	29.456	-0.137	-0.137	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.931	-0.985	33.096	-0.085	-0.085	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.004	0.002	35.439	0.003	0.003	0.000	0.000	0.000	0.000
231	231	LYS	1	0.812	0.900	28.287	0.136	0.136	0.000	0.000	0.000	0.000
232	232	LEU	0	-0.007	-0.002	32.884	-0.003	-0.003	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.852	-0.925	34.306	-0.093	-0.093	0.000	0.000	0.000	0.000
234	234	THR	0	0.016	0.012	36.390	0.003	0.003	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.037	-0.022	31.073	-0.001	-0.001	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.076	-0.047	35.339	-0.004	-0.004	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.918	-0.936	37.957	-0.081	-0.081	0.000	0.000	0.000	0.000
238	238	LEU	0	0.045	0.016	34.421	-0.001	-0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	0.013	-0.004	33.669	-0.007	-0.007	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.930	-0.937	37.602	-0.083	-0.083	0.000	0.000	0.000	0.000
241	241	THR	0	-0.060	-0.044	36.925	-0.001	-0.001	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.007	-0.015	32.227	-0.003	-0.003	0.000	0.000	0.000	0.000
243	243	THR	0	-0.054	-0.033	35.950	-0.004	-0.004	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.011	-0.005	38.631	0.001	0.001	0.000	0.000	0.000	0.000
245	245	THR	0	-0.042	-0.021	34.619	-0.001	-0.001	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.056	-0.014	28.519	0.006	0.006	0.000	0.000	0.000	0.000
247	247	ALA	0	0.014	0.000	30.410	0.003	0.003	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.026	-0.013	24.764	-0.013	-0.013	0.000	0.000	0.000	0.000
249	249	ILE	0	0.004	0.003	26.227	0.014	0.014	0.000	0.000	0.000	0.000
250	250	PHE	0	0.015	0.005	20.066	-0.017	-0.017	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.026	-0.019	21.468	0.024	0.024	0.000	0.000	0.000	0.000
252	252	ASN	0	0.008	-0.016	20.150	-0.034	-0.034	0.000	0.000	0.000	0.000
253	253	THR	0	-0.042	-0.012	18.557	-0.015	-0.015	0.000	0.000	0.000	0.000
254	254	ARG	1	0.950	0.958	11.176	0.798	0.798	0.000	0.000	0.000	0.000
255	255	ARG	1	0.966	0.978	17.844	0.272	0.272	0.000	0.000	0.000	0.000
256	256	LYS	1	0.802	0.884	21.893	0.178	0.178	0.000	0.000	0.000	0.000
257	257	VAL	0	0.047	0.032	20.579	0.016	0.016	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.859	-0.913	21.466	-0.302	-0.302	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.025	-0.014	24.277	0.018	0.018	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.005	-0.010	26.828	0.013	0.013	0.000	0.000	0.000	0.000
261	261	THR	0	-0.003	-0.022	25.784	0.010	0.010	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.878	-0.918	28.376	-0.144	-0.144	0.000	0.000	0.000	0.000
263	263	LYS	1	0.791	0.881	30.400	0.152	0.152	0.000	0.000	0.000	0.000
264	264	MET	0	-0.005	-0.013	31.669	0.011	0.011	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.002	0.008	31.592	0.009	0.009	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.019	-0.005	33.862	0.006	0.006	0.000	0.000	0.000	0.000
267	267	ARG	1	0.797	0.890	36.380	0.110	0.110	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.918	-0.939	37.690	-0.102	-0.102	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.020	-0.005	35.115	0.003	0.003	0.000	0.000	0.000	0.000
270	270	THR	0	-0.047	-0.027	33.053	-0.003	-0.003	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.014	-0.013	29.433	-0.001	-0.001	0.000	0.000	0.000	0.000
272	272	SER	0	-0.005	0.000	25.579	-0.012	-0.012	0.000	0.000	0.000	0.000
273	273	ALA	0	0.047	0.009	23.378	0.006	0.006	0.000	0.000	0.000	0.000
274	274	MET	0	-0.036	-0.014	17.354	-0.028	-0.028	0.000	0.000	0.000	0.000
275	275	HIS	0	0.003	-0.011	16.549	-0.041	-0.041	0.000	0.000	0.000	0.000
276	276	GLY	0	0.029	-0.006	12.667	-0.028	-0.028	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.065	-1.043	12.754	-0.712	-0.712	0.000	0.000	0.000	0.000
278	278	MET	0	0.054	0.066	14.650	0.038	0.038	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.873	-0.937	14.749	-0.594	-0.594	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.037	-0.029	12.933	-0.069	-0.069	0.000	0.000	0.000	0.000
281	281	LYS	1	0.905	0.935	15.399	0.449	0.449	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.900	-0.935	18.687	-0.317	-0.317	0.000	0.000	0.000	0.000
283	283	ARG	1	0.806	0.859	10.987	0.975	0.975	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.870	-0.921	18.012	-0.341	-0.341	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.018	-0.010	19.211	0.033	0.033	0.000	0.000	0.000	0.000
286	286	ILE	0	0.034	0.018	19.987	0.022	0.022	0.000	0.000	0.000	0.000
287	287	MET	0	0.012	0.009	19.921	0.035	0.035	0.000	0.000	0.000	0.000
288	288	ARG	1	0.813	0.900	21.777	0.319	0.319	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.880	-0.935	24.758	-0.185	-0.185	0.000	0.000	0.000	0.000
290	290	PHE	0	0.022	0.018	24.843	0.014	0.014	0.000	0.000	0.000	0.000
291	291	ARG	1	0.941	0.962	24.032	0.238	0.238	0.000	0.000	0.000	0.000
292	292	SER	0	-0.070	-0.040	27.169	0.015	0.015	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.029	-0.007	29.852	0.011	0.011	0.000	0.000	0.000	0.000
294	294	SER	0	-0.023	0.013	30.272	0.012	0.012	0.000	0.000	0.000	0.000
295	295	SER	0	-0.011	-0.005	27.446	0.007	0.007	0.000	0.000	0.000	0.000
296	296	ARG	1	0.917	0.943	30.662	0.129	0.129	0.000	0.000	0.000	0.000
297	297	VAL	0	0.075	0.038	29.726	0.000	0.000	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.027	-0.005	22.229	-0.004	-0.004	0.000	0.000	0.000	0.000
299	299	ILE	0	0.001	0.005	24.267	0.004	0.004	0.000	0.000	0.000	0.000
300	300	THR	0	-0.016	-0.032	19.358	-0.034	-0.034	0.000	0.000	0.000	0.000
301	301	THR	0	0.029	0.005	15.732	0.033	0.033	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.796	-0.884	16.061	-0.287	-0.287	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.011	0.018	12.960	-0.003	-0.003	0.000	0.000	0.000	0.000
304	304	LEU	0	0.014	-0.012	14.920	0.005	0.005	0.000	0.000	0.000	0.000
305	305	ALA	0	0.007	0.015	17.606	0.042	0.042	0.000	0.000	0.000	0.000
306	306	ARG	1	0.830	0.887	15.463	0.278	0.278	0.000	0.000	0.000	0.000
307	307	GLY	0	0.050	0.022	18.033	-0.020	-0.020	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.046	-0.017	17.664	0.018	0.018	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.892	-0.935	21.049	-0.162	-0.162	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.002	0.006	24.162	0.004	0.004	0.000	0.000	0.000	0.000
311	311	GLN	0	-0.020	-0.015	26.657	0.010	0.010	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.016	-0.024	30.238	0.009	0.009	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.042	-0.005	26.892	0.004	0.004	0.000	0.000	0.000	0.000
314	314	SER	0	-0.028	-0.012	30.118	0.006	0.006	0.000	0.000	0.000	0.000
315	315	LEU	0	0.016	0.007	32.165	0.003	0.003	0.000	0.000	0.000	0.000
316	316	VAL	0	0.003	-0.003	27.062	-0.012	-0.012	0.000	0.000	0.000	0.000
317	317	ILE	0	0.021	0.010	28.729	0.010	0.010	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.007	-0.003	25.732	-0.031	-0.031	0.000	0.000	0.000	0.000
319	319	TYR	0	0.044	0.021	27.102	0.014	0.014	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.764	-0.865	24.262	-0.173	-0.173	0.000	0.000	0.000	0.000
321	321	LEU	0	0.045	0.022	25.480	-0.009	-0.009	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.019	0.022	21.881	0.000	0.000	0.000	0.000	0.000	0.000
323	323	THR	0	0.014	-0.010	20.047	0.016	0.016	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.033	-0.010	17.493	0.034	0.034	0.000	0.000	0.000	0.000
325	325	ARG	1	0.963	0.982	21.214	0.088	0.088	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.852	-0.916	20.159	-0.113	-0.113	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.074	-0.060	18.230	0.009	0.009	0.000	0.000	0.000	0.000
328	328	TYR	0	0.036	0.007	20.760	-0.013	-0.013	0.000	0.000	0.000	0.000
329	329	ILE	0	0.007	0.004	23.938	-0.003	-0.003	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.086	-0.045	20.611	-0.011	-0.011	0.000	0.000	0.000	0.000
331	331	ARG	1	0.813	0.884	20.400	0.222	0.222	0.000	0.000	0.000	0.000
332	332	ILE	0	0.013	0.003	23.651	0.001	0.001	0.000	0.000	0.000	0.000
333	333	GLY	0	0.014	0.016	25.597	0.008	0.008	0.000	0.000	0.000	0.000
334	334	ARG	1	0.786	0.889	21.640	0.234	0.234	0.000	0.000	0.000	0.000
335	335	GLY	0	0.037	0.029	25.730	0.001	0.001	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.011	-0.019	29.369	0.000	0.000	0.000	0.000	0.000	0.000
337	337	ARG	1	0.783	0.906	26.026	0.174	0.174	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.010	-0.019	30.328	0.007	0.007	0.000	0.000	0.000	0.000
339	339	GLY	0	0.002	0.004	32.581	0.006	0.006	0.000	0.000	0.000	0.000
340	340	ARG	1	0.951	0.990	34.796	0.114	0.114	0.000	0.000	0.000	0.000
341	341	LYS	1	0.951	0.974	34.866	0.078	0.078	0.000	0.000	0.000	0.000
342	342	GLY	0	0.062	0.016	33.116	-0.005	-0.005	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.061	-0.005	33.449	0.008	0.008	0.000	0.000	0.000	0.000
344	344	ALA	0	0.029	0.010	30.856	-0.009	-0.009	0.000	0.000	0.000	0.000
345	345	ILE	0	0.032	0.026	31.641	0.009	0.009	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.011	-0.011	29.866	-0.018	-0.018	0.000	0.000	0.000	0.000
347	347	MET	0	-0.001	0.001	31.192	0.010	0.010	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.026	0.003	31.863	-0.003	-0.003	0.000	0.000	0.000	0.000
349	349	THR	0	-0.047	-0.041	31.988	0.006	0.006	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.804	-0.903	34.505	-0.054	-0.054	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.957	-0.977	31.256	-0.061	-0.061	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.826	-0.881	29.607	-0.110	-0.110	0.000	0.000	0.000	0.000
353	353	LYS	1	0.831	0.902	31.827	0.055	0.055	0.000	0.000	0.000	0.000
354	354	ARG	1	0.859	0.904	31.769	0.053	0.053	0.000	0.000	0.000	0.000
355	355	THR	0	0.043	0.021	27.222	-0.001	-0.001	0.000	0.000	0.000	0.000
356	356	LEU	0	0.050	0.028	29.707	-0.004	-0.004	0.000	0.000	0.000	0.000
357	357	ARG	1	0.897	0.952	32.013	0.053	0.053	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.846	-0.906	28.420	-0.060	-0.060	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.022	-0.002	27.169	0.000	0.000	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.816	-0.905	29.496	-0.063	-0.063	0.000	0.000	0.000	0.000
361	361	THR	0	-0.084	-0.072	32.673	0.003	0.003	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.021	0.005	24.804	0.004	0.004	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.018	-0.042	24.905	0.001	0.001	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.060	-0.019	31.136	0.003	0.003	0.000	0.000	0.000	0.000
365	365	THR	0	-0.022	-0.009	32.680	0.000	0.000	0.000	0.000	0.000	0.000
366	366	SER	0	-0.034	-0.013	35.645	0.002	0.002	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.054	-0.020	32.002	-0.004	-0.004	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.876	-0.936	36.601	-0.057	-0.057	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.949	-0.981	38.683	-0.069	-0.069	0.000	0.000	0.000	0.000
370	370	MET	0	-0.044	-0.014	38.476	-0.003	-0.003	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.010	-0.004	40.297	0.003	0.003	0.000	0.000	0.000	0.000
372	372	LEU	0	0.032	0.017	43.099	-0.003	-0.003	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.070	-0.048	45.397	-0.002	-0.002	0.000	0.000	0.000	0.000
374	374	VAL	0	0.031	0.008	38.923	-0.001	-0.001	0.000	0.000	0.000	0.000
375	375	ALA	0	-0.005	-0.019	41.491	-0.003	-0.003	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.848	-0.901	42.823	-0.068	-0.068	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.123	-0.061	40.046	0.001	0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.951	-0.957	37.928	-0.095	-0.095	0.000	0.000	0.000	0.000
379	379	A	0	-0.367	-0.299	18.787	-0.011	-0.011	0.000	0.000	0.000	0.000
380	379	A	-1	-0.540	-0.634	14.345	0.100	0.100	0.000	0.000	0.000	0.000
381	380	G	0	-0.348	-0.308	16.935	-0.003	-0.003	0.000	0.000	0.000	0.000
382	380	G	-1	-0.545	-0.642	14.824	0.005	0.005	0.000	0.000	0.000	0.000
383	381	A	0	-0.360	-0.310	15.648	-0.019	-0.019	0.000	0.000	0.000	0.000
384	381	A	-1	-0.576	-0.657	14.636	-0.183	-0.183	0.000	0.000	0.000	0.000
385	382	G	0	-0.345	-0.302	12.731	0.005	0.005	0.000	0.000	0.000	0.000
386	382	G	-1	-0.581	-0.686	15.067	-0.371	-0.371	0.000	0.000	0.000	0.000
387	383	A	0	-0.316	-0.278	9.164	-0.068	-0.068	0.000	0.000	0.000	0.000
388	383	A	-1	-0.455	-0.597	10.890	-0.625	-0.625	0.000	0.000	0.000	0.000
389	384	G	0	-0.371	-0.315	5.205	-0.316	-0.316	0.000	0.000	0.000	0.000
390	384	G	-1	-0.483	-0.588	6.990	-1.119	-1.119	0.000	0.000	0.000	0.000
395	387	G	0	-0.331	-0.292	5.661	-0.206	-0.206	0.000	0.000	0.000	0.000
396	387	G	-1	-0.656	-0.700	7.302	-0.375	-0.375	0.000	0.000	0.000	0.000
397	388	G	0	-0.359	-0.312	9.255	0.121	0.121	0.000	0.000	0.000	0.000
398	388	G	0	0.290	0.252	9.264	0.078	0.078	0.000	0.000	0.000	0.000

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