FMO DATABASE

FMODB ID: LZY49

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

Preferred Name:

Target Type:

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

ligand 3-letter code: V6D

PDB ID: 6XKI

Chain ID: A

ChEMBL ID:

UniProt ID:

Base Structure: MD

Registration Date: 2023-09-19

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

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

Total energy (hartree)

FMO2-HF: Electronic energy	-7634180.784039
FMO2-HF: Nuclear repulsion	7464827.465545
FMO2-HF: Total energy	-169353.318494
FMO2-MP2: Total energy	-169831.501574

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.
-340.855327	-289.817141	62.553396	-24.909428	-88.682154	0.147396

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.
-286.429	-268.387	24.016	-10.52	-31.534	-0.084

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 0.973 / q_NPA : 1.001

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
82	82	ARG	1	0.873	0.905	2.372	44.350	44.733	1.141	-0.330	-1.194	0.000
108	108	GLY	0	0.039	0.020	4.697	0.783	0.760	-0.001	-0.010	0.034	0.000
132	132	GLY	0	0.049	0.030	2.408	0.733	0.369	0.643	-0.101	-0.178	0.001
133	133	ARG	1	0.835	0.869	3.229	27.868	27.665	0.028	0.408	-0.232	-0.001
167	167	GLN	0	-0.012	-0.003	4.553	-1.065	-0.792	-0.001	-0.034	-0.238	0.000
276	276	GLY	0	0.042	-0.008	4.217	0.706	0.844	0.000	-0.064	-0.073	0.000
277	277	ASP	-1	-0.976	-0.986	2.169	-88.468	-85.215	7.702	-5.723	-5.231	-0.074
278	278	MET	0	-0.039	0.011	3.123	7.422	6.172	0.023	1.399	-0.172	-0.001
389	384	G	0	-0.398	-0.335	5.003	-7.123	-6.701	0.000	-0.006	-0.416	0.000
390	384	G	-1	-0.481	-0.581	3.759	-40.695	-40.043	0.008	-0.133	-0.527	0.000
391	385	G	0	-0.327	-0.297	2.762	-23.249	-13.810	6.965	-3.138	-13.266	-0.020
392	385	G	-1	-0.455	-0.575	2.128	-39.991	-36.181	6.179	-3.672	-6.316	0.006
393	386	G	0	-0.330	-0.288	3.014	-5.711	-3.742	1.140	-0.787	-2.322	0.006
394	386	G	-1	-0.557	-0.641	2.934	-32.718	-33.644	0.190	1.684	-0.948	-0.001
395	387	G	0	-0.341	-0.296	4.796	-5.041	-4.764	0.000	-0.008	-0.269	0.000
398	388	G	0	0.315	0.244	4.438	-0.725	-0.533	-0.001	-0.005	-0.186	0.000
1	1	GLU	0	-0.157	-0.090	40.350	-0.552	-0.552	0.000	0.000	0.000	0.000
2	2	ILE	0	0.070	0.034	42.411	0.049	0.049	0.000	0.000	0.000	0.000
3	3	VAL	0	0.056	0.026	37.034	-0.071	-0.071	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.987	-0.998	37.661	-7.299	-7.299	0.000	0.000	0.000	0.000
5	5	SER	0	0.043	-0.015	39.435	-0.038	-0.038	0.000	0.000	0.000	0.000
6	6	PHE	0	-0.003	-0.013	32.654	-0.033	-0.033	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.853	-0.911	37.372	-7.124	-7.124	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.850	-0.912	40.320	-6.790	-6.790	0.000	0.000	0.000	0.000
9	9	MET	0	-0.159	-0.080	33.865	-0.078	-0.078	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.066	-0.029	37.488	-0.005	-0.005	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.034	-0.012	33.135	-0.089	-0.089	0.000	0.000	0.000	0.000
12	12	SER	0	0.072	0.024	34.871	0.230	0.230	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.887	-0.949	36.204	-7.390	-7.390	0.000	0.000	0.000	0.000
14	14	SER	0	-0.032	-0.015	34.969	-0.109	-0.109	0.000	0.000	0.000	0.000
15	15	LEU	0	0.026	0.017	29.866	-0.183	-0.183	0.000	0.000	0.000	0.000
16	16	LEU	0	0.002	0.004	33.269	-0.183	-0.183	0.000	0.000	0.000	0.000
17	17	ARG	1	0.919	0.969	35.974	7.702	7.702	0.000	0.000	0.000	0.000
18	18	GLY	0	0.032	0.021	32.016	-0.051	-0.051	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.029	-0.028	31.655	-0.182	-0.182	0.000	0.000	0.000	0.000
20	20	TYR	0	0.009	-0.002	32.968	-0.054	-0.054	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.030	-0.007	33.166	0.031	0.031	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.069	-0.041	25.722	-0.216	-0.216	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.005	0.011	30.406	-0.233	-0.233	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.096	-0.050	28.661	-0.056	-0.056	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.898	-0.949	33.896	-7.436	-7.436	0.000	0.000	0.000	0.000
26	26	LYS	1	0.967	0.981	36.387	7.723	7.723	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.005	0.039	34.045	-0.232	-0.232	0.000	0.000	0.000	0.000
28	28	SER	0	-0.009	-0.019	30.786	0.252	0.252	0.000	0.000	0.000	0.000
29	29	ALA	0	0.049	0.008	33.976	0.073	0.073	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.010	-0.009	28.207	0.112	0.112	0.000	0.000	0.000	0.000
31	31	GLN	0	0.014	-0.011	29.708	0.189	0.189	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.033	-0.025	31.741	0.184	0.184	0.000	0.000	0.000	0.000
33	33	ARG	1	0.885	0.944	32.866	8.340	8.340	0.000	0.000	0.000	0.000
34	34	ALA	0	0.013	0.009	28.366	0.037	0.037	0.000	0.000	0.000	0.000
35	35	ILE	0	0.061	0.040	29.297	-0.117	-0.117	0.000	0.000	0.000	0.000
36	36	LEU	0	0.034	0.020	30.704	-0.049	-0.049	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.037	-0.029	30.472	0.023	0.023	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.013	-0.003	26.640	-0.178	-0.178	0.000	0.000	0.000	0.000
39	39	ILE	0	0.031	0.025	28.002	-0.142	-0.142	0.000	0.000	0.000	0.000
40	40	LYS	1	0.894	0.945	30.358	7.796	7.796	0.000	0.000	0.000	0.000
41	41	GLY	0	0.057	0.052	28.237	0.137	0.137	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.043	-0.018	27.997	-0.073	-0.073	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.702	-0.822	24.106	-10.869	-10.869	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.040	-0.034	24.883	0.344	0.344	0.000	0.000	0.000	0.000
45	45	ILE	0	0.009	0.007	23.054	-0.433	-0.433	0.000	0.000	0.000	0.000
46	46	ALA	0	0.007	-0.012	24.075	0.451	0.451	0.000	0.000	0.000	0.000
47	47	GLN	0	0.002	0.003	24.359	-0.162	-0.162	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.022	-0.016	24.572	0.326	0.326	0.000	0.000	0.000	0.000
49	49	GLN	0	0.103	0.044	24.798	-0.831	-0.831	0.000	0.000	0.000	0.000
50	50	SER	0	0.012	0.024	25.327	-0.011	-0.011	0.000	0.000	0.000	0.000
51	51	GLY	0	0.040	0.026	26.425	0.343	0.343	0.000	0.000	0.000	0.000
52	52	THR	0	-0.076	-0.057	27.754	0.227	0.227	0.000	0.000	0.000	0.000
53	53	GLY	0	0.086	0.059	27.039	0.188	0.188	0.000	0.000	0.000	0.000
54	54	LYS	1	0.800	0.893	19.269	14.221	14.221	0.000	0.000	0.000	0.000
55	55	THR	0	0.025	0.003	20.948	-0.178	-0.178	0.000	0.000	0.000	0.000
56	56	ALA	0	0.048	0.030	23.007	0.060	0.060	0.000	0.000	0.000	0.000
57	57	THR	0	-0.028	-0.026	25.712	0.341	0.341	0.000	0.000	0.000	0.000
58	58	PHE	0	0.041	0.023	19.178	0.247	0.247	0.000	0.000	0.000	0.000
59	59	ALA	0	0.004	0.001	23.464	0.146	0.146	0.000	0.000	0.000	0.000
60	60	ILE	0	0.033	0.013	24.495	0.164	0.164	0.000	0.000	0.000	0.000
61	61	SER	0	-0.015	-0.029	26.015	0.338	0.338	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.006	0.005	21.071	0.112	0.112	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.006	-0.008	25.364	0.201	0.201	0.000	0.000	0.000	0.000
64	64	GLN	0	0.033	0.021	27.608	0.141	0.141	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.095	-0.056	26.953	0.326	0.326	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.075	-0.025	24.147	-0.061	-0.061	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.853	-0.920	28.156	-8.072	-8.072	0.000	0.000	0.000	0.000
68	68	LEU	0	0.004	-0.019	28.701	-0.237	-0.237	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.987	-0.973	30.414	-8.210	-8.210	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.082	-0.027	26.740	-0.031	-0.031	0.000	0.000	0.000	0.000
71	71	LYS	1	0.963	0.967	26.608	9.170	9.170	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.037	-0.013	23.320	-0.347	-0.347	0.000	0.000	0.000	0.000
73	73	THR	0	-0.004	-0.015	18.084	0.066	0.066	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.020	-0.014	21.130	0.055	0.055	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.021	-0.010	20.540	0.142	0.142	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.021	-0.008	12.917	-0.297	-0.297	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.018	-0.003	15.628	0.329	0.329	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.016	-0.013	8.929	-0.804	-0.804	0.000	0.000	0.000	0.000
79	79	ALA	0	0.045	0.015	11.042	1.019	1.019	0.000	0.000	0.000	0.000
80	80	PRO	0	0.027	0.014	9.169	-1.190	-1.190	0.000	0.000	0.000	0.000
81	81	THR	0	0.036	0.010	7.294	-2.164	-2.164	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.793	-0.878	9.097	-23.851	-23.851	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.007	0.004	11.677	1.670	1.670	0.000	0.000	0.000	0.000
85	85	ALA	0	0.004	0.011	11.476	1.294	1.294	0.000	0.000	0.000	0.000
86	86	GLN	0	0.013	-0.012	12.975	1.104	1.104	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.080	-0.046	15.286	1.159	1.159	0.000	0.000	0.000	0.000
88	88	ILE	0	0.006	0.000	15.225	0.841	0.841	0.000	0.000	0.000	0.000
89	89	GLN	0	0.036	0.011	17.153	0.479	0.479	0.000	0.000	0.000	0.000
90	90	LYS	1	0.931	0.969	18.968	13.564	13.564	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.012	-0.001	21.494	0.540	0.540	0.000	0.000	0.000	0.000
92	92	VAL	0	0.025	0.002	20.716	0.502	0.502	0.000	0.000	0.000	0.000
93	93	MET	0	0.003	0.010	22.405	0.415	0.415	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.035	-0.010	24.920	0.398	0.398	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.051	-0.022	26.845	0.391	0.391	0.000	0.000	0.000	0.000
96	96	GLY	0	0.031	0.009	27.457	0.327	0.327	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.928	-0.956	28.591	-9.194	-9.194	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.017	-0.024	30.603	0.239	0.239	0.000	0.000	0.000	0.000
99	99	MET	0	-0.082	-0.033	30.958	0.160	0.160	0.000	0.000	0.000	0.000
100	100	GLY	0	0.019	0.020	30.766	0.127	0.127	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.083	-0.032	26.767	-0.177	-0.177	0.000	0.000	0.000	0.000
102	102	SER	0	-0.030	-0.054	23.792	-0.359	-0.359	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.060	-0.039	18.890	-0.223	-0.223	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.013	-0.029	14.334	0.718	0.718	0.000	0.000	0.000	0.000
105	105	ALA	0	-0.001	0.003	13.526	-0.189	-0.189	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.058	-0.013	11.113	-0.135	-0.135	0.000	0.000	0.000	0.000
107	107	ILE	0	0.001	-0.004	8.512	-0.956	-0.956	0.000	0.000	0.000	0.000
109	109	GLY	0	0.014	0.015	4.939	0.383	0.383	0.000	0.000	0.000	0.000
110	110	THR	0	-0.001	-0.008	6.343	2.762	2.762	0.000	0.000	0.000	0.000
111	111	ASN	0	0.036	0.022	9.394	0.786	0.786	0.000	0.000	0.000	0.000
112	112	VAL	0	0.080	0.042	10.292	1.055	1.055	0.000	0.000	0.000	0.000
113	113	ARG	1	0.900	0.948	12.149	15.540	15.540	0.000	0.000	0.000	0.000
114	114	ALA	0	0.026	0.002	15.156	0.917	0.917	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.795	-0.867	11.187	-19.328	-19.328	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.013	-0.019	14.803	0.714	0.714	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.036	-0.009	17.113	0.350	0.350	0.000	0.000	0.000	0.000
118	118	LYS	1	0.989	1.001	17.266	14.997	14.997	0.000	0.000	0.000	0.000
119	119	LEU	0	0.007	-0.001	15.656	0.451	0.451	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.053	-0.032	19.650	0.397	0.397	0.000	0.000	0.000	0.000
121	121	MET	0	-0.075	-0.028	22.465	0.368	0.368	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.868	-0.902	22.195	-10.712	-10.712	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.071	-0.022	23.085	0.338	0.338	0.000	0.000	0.000	0.000
124	124	PRO	0	0.015	0.023	19.185	0.192	0.192	0.000	0.000	0.000	0.000
125	125	HIS	0	0.113	0.063	21.402	-0.389	-0.389	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.022	-0.011	19.211	-0.018	-0.018	0.000	0.000	0.000	0.000
127	127	ILE	0	0.003	-0.005	13.849	-0.257	-0.257	0.000	0.000	0.000	0.000
128	128	VAL	0	0.016	0.015	14.014	0.118	0.118	0.000	0.000	0.000	0.000
129	129	GLY	0	0.023	-0.001	10.666	-0.023	-0.023	0.000	0.000	0.000	0.000
130	130	THR	0	-0.006	-0.013	6.083	0.532	0.532	0.000	0.000	0.000	0.000
131	131	PRO	0	0.037	0.007	4.818	0.488	0.488	0.000	0.000	0.000	0.000
134	134	VAL	0	0.022	-0.001	6.561	2.150	2.150	0.000	0.000	0.000	0.000
135	135	PHE	0	0.020	0.004	5.417	1.882	1.882	0.000	0.000	0.000	0.000
136	136	ASP	-1	-0.788	-0.874	6.946	-20.789	-20.789	0.000	0.000	0.000	0.000
137	137	MET	0	-0.049	-0.015	8.531	1.991	1.991	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.010	-0.005	10.380	1.409	1.409	0.000	0.000	0.000	0.000
139	139	ASN	0	-0.079	-0.025	10.301	1.136	1.136	0.000	0.000	0.000	0.000
140	140	ARG	1	0.845	0.899	11.670	19.656	19.656	0.000	0.000	0.000	0.000
141	141	ARG	1	0.879	0.941	14.573	13.124	13.124	0.000	0.000	0.000	0.000
142	142	TYR	0	0.030	0.032	15.958	0.565	0.565	0.000	0.000	0.000	0.000
143	143	LEU	0	0.040	0.029	12.794	0.493	0.493	0.000	0.000	0.000	0.000
144	144	SER	0	-0.008	-0.017	16.556	0.039	0.039	0.000	0.000	0.000	0.000
145	145	PRO	0	0.045	0.020	17.449	0.202	0.202	0.000	0.000	0.000	0.000
146	146	LYS	1	0.863	0.938	19.793	9.819	9.819	0.000	0.000	0.000	0.000
147	147	TYR	0	-0.002	-0.015	21.606	0.533	0.533	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.018	0.010	17.691	0.153	0.153	0.000	0.000	0.000	0.000
149	149	LYS	1	1.001	1.013	20.944	9.476	9.476	0.000	0.000	0.000	0.000
150	150	MET	0	-0.021	-0.001	21.600	0.153	0.153	0.000	0.000	0.000	0.000
151	151	PHE	0	0.003	-0.007	12.530	-0.367	-0.367	0.000	0.000	0.000	0.000
152	152	VAL	0	-0.001	-0.005	17.338	0.322	0.322	0.000	0.000	0.000	0.000
153	153	LEU	0	-0.004	-0.003	13.220	-0.759	-0.759	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.768	-0.882	15.461	-13.923	-13.923	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.816	-0.905	14.477	-16.516	-16.516	0.000	0.000	0.000	0.000
156	156	ALA	0	0.003	-0.007	15.475	-0.679	-0.679	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.771	-0.821	16.232	-15.535	-15.535	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.846	-0.917	11.699	-22.032	-22.032	0.000	0.000	0.000	0.000
159	159	MET	0	-0.065	0.005	8.699	-0.926	-0.926	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.028	-0.022	12.037	-0.271	-0.271	0.000	0.000	0.000	0.000
161	161	SER	0	-0.005	-0.014	12.909	0.443	0.443	0.000	0.000	0.000	0.000
162	162	ARG	1	0.779	0.873	12.891	18.679	18.679	0.000	0.000	0.000	0.000
163	163	GLY	0	0.066	0.052	9.894	-0.264	-0.264	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.039	-0.020	6.229	-2.027	-2.027	0.000	0.000	0.000	0.000
165	165	LYS	1	0.922	0.963	9.179	16.491	16.491	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.919	-0.963	9.386	-17.274	-17.274	0.000	0.000	0.000	0.000
168	168	ILE	0	0.011	-0.007	6.784	0.631	0.631	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.009	-0.004	9.807	1.313	1.313	0.000	0.000	0.000	0.000
170	170	ASP	-1	-0.841	-0.918	7.892	-18.865	-18.865	0.000	0.000	0.000	0.000
171	171	ILE	0	-0.081	-0.038	6.778	0.683	0.683	0.000	0.000	0.000	0.000
172	172	PHE	0	-0.035	-0.024	10.472	0.984	0.984	0.000	0.000	0.000	0.000
173	173	GLN	0	0.001	0.003	13.170	0.339	0.339	0.000	0.000	0.000	0.000
174	174	LYS	1	0.874	0.951	12.523	14.704	14.704	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.003	-0.003	14.579	0.653	0.653	0.000	0.000	0.000	0.000
176	176	ASN	0	0.025	0.017	16.963	0.285	0.285	0.000	0.000	0.000	0.000
177	177	SER	0	0.051	0.029	20.603	-0.085	-0.085	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.097	-0.038	21.819	0.132	0.132	0.000	0.000	0.000	0.000
179	179	THR	0	-0.007	-0.027	19.295	-0.011	-0.011	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.098	-0.037	22.346	-0.058	-0.058	0.000	0.000	0.000	0.000
181	181	VAL	0	0.019	-0.001	18.809	-0.502	-0.502	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.026	-0.015	20.343	0.438	0.438	0.000	0.000	0.000	0.000
183	183	LEU	0	0.011	0.009	18.304	-0.589	-0.589	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.036	-0.017	19.562	0.654	0.654	0.000	0.000	0.000	0.000
185	185	SER	0	-0.027	-0.045	19.450	-0.672	-0.672	0.000	0.000	0.000	0.000
186	186	ALA	0	0.021	0.029	21.297	0.526	0.526	0.000	0.000	0.000	0.000
187	187	THR	0	-0.030	-0.015	20.184	0.503	0.503	0.000	0.000	0.000	0.000
188	188	MET	0	-0.005	-0.013	21.540	-0.425	-0.425	0.000	0.000	0.000	0.000
189	189	PRO	0	0.049	0.025	20.927	0.553	0.553	0.000	0.000	0.000	0.000
190	190	SER	0	-0.016	-0.029	23.797	-0.017	-0.017	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.841	-0.907	22.152	-11.959	-11.959	0.000	0.000	0.000	0.000
192	192	VAL	0	0.006	-0.002	18.500	-0.074	-0.074	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.062	-0.041	20.857	0.155	0.155	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.848	-0.909	22.982	-9.959	-9.959	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.040	-0.014	16.642	0.065	0.065	0.000	0.000	0.000	0.000
196	196	THR	0	0.039	0.001	19.640	-0.024	-0.024	0.000	0.000	0.000	0.000
197	197	LYS	1	0.801	0.899	21.170	10.334	10.334	0.000	0.000	0.000	0.000
198	198	LYS	1	0.915	0.979	15.235	14.628	14.628	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.032	-0.022	13.786	-0.159	-0.159	0.000	0.000	0.000	0.000
200	200	MET	0	-0.061	-0.010	19.592	-0.043	-0.043	0.000	0.000	0.000	0.000
201	201	ARG	1	0.802	0.870	22.941	10.030	10.030	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.945	-0.963	26.510	-8.845	-8.845	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.016	-0.004	25.069	0.173	0.173	0.000	0.000	0.000	0.000
204	204	ILE	0	0.010	0.009	28.013	0.218	0.218	0.000	0.000	0.000	0.000
205	205	ARG	1	0.948	0.972	27.194	9.545	9.545	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.009	0.002	28.783	0.339	0.339	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.015	-0.015	27.724	-0.350	-0.350	0.000	0.000	0.000	0.000
208	208	VAL	0	0.007	0.001	29.698	0.338	0.338	0.000	0.000	0.000	0.000
209	209	LYS	1	0.903	0.963	30.472	8.240	8.240	0.000	0.000	0.000	0.000
210	210	LYS	1	0.976	0.977	28.730	9.897	9.897	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.834	-0.915	30.474	-8.645	-8.645	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.917	-0.949	32.947	-8.631	-8.631	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.103	-0.044	26.098	-0.129	-0.129	0.000	0.000	0.000	0.000
214	214	THR	0	-0.041	-0.046	28.658	-0.383	-0.383	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.030	-0.010	25.757	0.213	0.213	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.871	-0.936	30.412	-9.442	-9.442	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.041	-0.013	32.178	0.201	0.201	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.054	-0.028	27.731	-0.033	-0.033	0.000	0.000	0.000	0.000
219	219	ARG	1	0.860	0.930	30.974	9.239	9.239	0.000	0.000	0.000	0.000
220	220	GLN	0	0.049	0.021	29.160	-0.448	-0.448	0.000	0.000	0.000	0.000
221	221	PHE	0	0.057	0.025	30.238	0.315	0.315	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.052	-0.027	29.625	-0.489	-0.489	0.000	0.000	0.000	0.000
223	223	ILE	0	0.061	0.030	29.556	0.329	0.329	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.052	-0.025	30.073	-0.249	-0.249	0.000	0.000	0.000	0.000
225	225	VAL	0	0.022	0.007	27.906	0.169	0.169	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.914	-0.945	31.320	-8.805	-8.805	0.000	0.000	0.000	0.000
227	227	ARG	1	0.831	0.900	28.983	9.515	9.515	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.762	-0.868	21.653	-13.827	-13.827	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.832	-0.927	25.217	-10.939	-10.939	0.000	0.000	0.000	0.000
230	230	TRP	0	0.009	0.000	26.253	0.000	0.000	0.000	0.000	0.000	0.000
231	231	LYS	1	0.835	0.930	21.844	13.562	13.562	0.000	0.000	0.000	0.000
232	232	LEU	0	-0.017	0.000	23.533	-0.122	-0.122	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.808	-0.910	25.967	-10.168	-10.168	0.000	0.000	0.000	0.000
234	234	THR	0	-0.019	-0.007	28.682	0.277	0.277	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.021	-0.017	22.618	0.083	0.083	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.075	-0.037	26.957	-0.074	-0.074	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.866	-0.915	28.664	-9.041	-9.041	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.043	-0.021	27.041	0.169	0.169	0.000	0.000	0.000	0.000
239	239	TYR	0	0.037	0.008	24.283	-0.241	-0.241	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.912	-0.926	29.244	-8.613	-8.613	0.000	0.000	0.000	0.000
241	241	THR	0	-0.067	-0.048	30.237	0.079	0.079	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.029	-0.026	24.930	-0.073	-0.073	0.000	0.000	0.000	0.000
243	243	THR	0	-0.053	-0.033	28.137	-0.186	-0.186	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.046	-0.020	30.659	0.105	0.105	0.000	0.000	0.000	0.000
245	245	THR	0	-0.035	-0.009	28.317	0.008	0.008	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.026	0.002	22.609	0.256	0.256	0.000	0.000	0.000	0.000
247	247	ALA	0	0.000	-0.013	23.752	0.156	0.156	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.031	-0.019	17.641	-0.527	-0.527	0.000	0.000	0.000	0.000
249	249	ILE	0	0.005	0.005	18.875	0.473	0.473	0.000	0.000	0.000	0.000
250	250	PHE	0	0.022	0.010	15.082	-0.898	-0.898	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.029	-0.018	14.423	0.940	0.940	0.000	0.000	0.000	0.000
252	252	ASN	0	0.028	-0.005	13.968	-1.331	-1.331	0.000	0.000	0.000	0.000
253	253	THR	0	-0.046	-0.013	11.551	-0.714	-0.714	0.000	0.000	0.000	0.000
254	254	ARG	1	0.940	0.950	5.012	41.401	41.401	0.000	0.000	0.000	0.000
255	255	ARG	1	0.972	0.984	9.605	18.833	18.833	0.000	0.000	0.000	0.000
256	256	LYS	1	0.756	0.855	11.972	16.682	16.682	0.000	0.000	0.000	0.000
257	257	VAL	0	0.050	0.024	11.380	1.111	1.111	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.944	-0.954	11.453	-20.965	-20.965	0.000	0.000	0.000	0.000
259	259	TRP	0	0.015	0.009	13.376	1.374	1.374	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.016	-0.018	16.939	0.811	0.811	0.000	0.000	0.000	0.000
261	261	THR	0	0.002	-0.016	15.272	0.814	0.814	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.935	-0.944	17.233	-14.668	-14.668	0.000	0.000	0.000	0.000
263	263	LYS	1	0.881	0.936	18.783	13.961	13.961	0.000	0.000	0.000	0.000
264	264	MET	0	-0.012	-0.009	21.044	0.726	0.726	0.000	0.000	0.000	0.000
265	265	HIS	0	0.025	0.016	20.474	0.404	0.404	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.014	0.000	22.344	0.480	0.480	0.000	0.000	0.000	0.000
267	267	ARG	1	0.756	0.860	24.356	11.467	11.467	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.898	-0.938	26.105	-10.196	-10.196	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.036	-0.016	24.304	0.134	0.134	0.000	0.000	0.000	0.000
270	270	THR	0	-0.032	-0.023	23.526	-0.455	-0.455	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.033	-0.008	19.237	-0.257	-0.257	0.000	0.000	0.000	0.000
272	272	SER	0	0.001	-0.011	16.041	-0.562	-0.562	0.000	0.000	0.000	0.000
273	273	ALA	0	0.013	0.021	12.158	0.048	0.048	0.000	0.000	0.000	0.000
274	274	MET	0	-0.032	-0.015	10.559	0.050	0.050	0.000	0.000	0.000	0.000
275	275	HIS	0	0.044	0.008	6.565	-2.713	-2.713	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.858	-0.935	5.309	-33.035	-33.035	0.000	0.000	0.000	0.000
280	280	GLN	0	0.013	0.013	7.266	-0.839	-0.839	0.000	0.000	0.000	0.000
281	281	LYS	1	0.911	0.938	9.096	20.005	20.005	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.882	-0.945	10.694	-18.160	-18.160	0.000	0.000	0.000	0.000
283	283	ARG	1	0.770	0.845	5.094	38.624	38.624	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.834	-0.880	10.977	-16.084	-16.084	0.000	0.000	0.000	0.000
285	285	VAL	0	0.009	-0.006	14.321	1.239	1.239	0.000	0.000	0.000	0.000
286	286	ILE	0	0.064	0.040	13.071	1.170	1.170	0.000	0.000	0.000	0.000
287	287	MET	0	0.058	0.029	14.874	1.452	1.452	0.000	0.000	0.000	0.000
288	288	ARG	1	0.705	0.831	17.090	16.847	16.847	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.835	-0.888	19.308	-12.569	-12.569	0.000	0.000	0.000	0.000
290	290	PHE	0	0.021	0.015	19.240	0.678	0.678	0.000	0.000	0.000	0.000
291	291	ARG	1	0.930	0.963	18.432	15.269	15.269	0.000	0.000	0.000	0.000
292	292	SER	0	-0.050	-0.031	22.799	0.685	0.685	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.061	-0.034	24.514	0.453	0.453	0.000	0.000	0.000	0.000
294	294	SER	0	-0.075	-0.041	23.268	0.427	0.427	0.000	0.000	0.000	0.000
295	295	SER	0	0.033	0.023	20.147	-0.091	-0.091	0.000	0.000	0.000	0.000
296	296	ARG	1	0.925	0.941	22.208	11.151	11.151	0.000	0.000	0.000	0.000
297	297	VAL	0	0.054	0.025	21.043	0.093	0.093	0.000	0.000	0.000	0.000
298	298	LEU	0	0.003	0.014	16.013	-0.442	-0.442	0.000	0.000	0.000	0.000
299	299	ILE	0	0.025	0.010	15.362	0.516	0.516	0.000	0.000	0.000	0.000
300	300	THR	0	-0.021	-0.036	12.758	-1.559	-1.559	0.000	0.000	0.000	0.000
301	301	THR	0	0.017	0.004	8.221	1.585	1.585	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.789	-0.881	11.396	-18.795	-18.795	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.001	0.019	7.210	0.110	0.110	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.005	-0.023	10.210	1.127	1.127	0.000	0.000	0.000	0.000
305	305	ALA	0	0.002	0.010	13.667	1.489	1.489	0.000	0.000	0.000	0.000
306	306	ARG	1	0.803	0.853	15.072	17.816	17.816	0.000	0.000	0.000	0.000
307	307	GLY	0	0.036	0.020	16.054	-0.617	-0.617	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.040	-0.012	14.651	0.766	0.766	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.842	-0.922	18.676	-11.919	-11.919	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.054	-0.009	20.331	0.458	0.458	0.000	0.000	0.000	0.000
311	311	GLN	0	0.039	0.007	23.153	-0.123	-0.123	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.052	-0.033	25.432	0.355	0.355	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.036	0.003	22.274	0.169	0.169	0.000	0.000	0.000	0.000
314	314	SER	0	0.000	0.002	25.668	0.150	0.150	0.000	0.000	0.000	0.000
315	315	LEU	0	0.011	0.002	26.185	-0.004	-0.004	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.004	0.001	21.421	-0.548	-0.548	0.000	0.000	0.000	0.000
317	317	ILE	0	0.011	0.002	22.369	0.487	0.487	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.008	0.001	20.729	-1.488	-1.488	0.000	0.000	0.000	0.000
319	319	TYR	0	0.076	0.020	19.632	0.651	0.651	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.790	-0.881	17.743	-15.629	-15.629	0.000	0.000	0.000	0.000
321	321	LEU	0	0.036	0.011	20.020	-0.235	-0.235	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.038	0.008	18.109	-0.358	-0.358	0.000	0.000	0.000	0.000
323	323	THR	0	0.031	0.022	15.406	0.431	0.431	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.039	-0.021	15.931	1.054	1.054	0.000	0.000	0.000	0.000
325	325	ARG	1	0.931	0.945	19.305	11.468	11.468	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.862	-0.931	20.984	-12.871	-12.871	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.060	-0.048	15.817	0.053	0.053	0.000	0.000	0.000	0.000
328	328	TYR	0	-0.009	-0.013	19.287	-0.314	-0.314	0.000	0.000	0.000	0.000
329	329	ILE	0	0.004	0.000	21.993	0.044	0.044	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.065	-0.031	18.735	0.032	0.032	0.000	0.000	0.000	0.000
331	331	ARG	1	0.831	0.889	15.514	17.023	17.023	0.000	0.000	0.000	0.000
332	332	ILE	0	0.018	0.008	20.139	0.156	0.156	0.000	0.000	0.000	0.000
333	333	GLY	0	0.036	0.023	23.319	0.404	0.404	0.000	0.000	0.000	0.000
334	334	ARG	1	0.743	0.880	18.380	15.060	15.060	0.000	0.000	0.000	0.000
335	335	GLY	0	0.016	0.024	22.241	0.031	0.031	0.000	0.000	0.000	0.000
336	336	GLY	0	0.020	-0.001	25.621	0.057	0.057	0.000	0.000	0.000	0.000
337	337	ARG	1	0.787	0.902	23.338	12.774	12.774	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.003	-0.021	27.749	0.407	0.407	0.000	0.000	0.000	0.000
339	339	GLY	0	0.026	0.020	30.090	0.339	0.339	0.000	0.000	0.000	0.000
340	340	ARG	1	0.849	0.933	31.792	9.483	9.483	0.000	0.000	0.000	0.000
341	341	LYS	1	0.988	0.991	31.814	8.093	8.093	0.000	0.000	0.000	0.000
342	342	GLY	0	0.109	0.054	29.516	-0.172	-0.172	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.051	-0.008	28.984	0.347	0.347	0.000	0.000	0.000	0.000
344	344	ALA	0	0.018	0.012	25.866	-0.454	-0.454	0.000	0.000	0.000	0.000
345	345	ILE	0	0.015	0.013	26.193	0.397	0.397	0.000	0.000	0.000	0.000
346	346	ASN	0	0.003	-0.002	25.292	-1.036	-1.036	0.000	0.000	0.000	0.000
347	347	MET	0	-0.010	-0.002	24.589	0.307	0.307	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.033	-0.011	25.573	-0.306	-0.306	0.000	0.000	0.000	0.000
349	349	THR	0	-0.027	-0.037	26.014	0.430	0.430	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.878	-0.951	28.576	-9.032	-9.032	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.954	-0.972	25.924	-10.385	-10.385	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.871	-0.910	24.365	-12.489	-12.489	0.000	0.000	0.000	0.000
353	353	LYS	1	0.901	0.953	26.927	8.970	8.970	0.000	0.000	0.000	0.000
354	354	ARG	1	0.955	0.973	29.161	10.006	10.006	0.000	0.000	0.000	0.000
355	355	THR	0	0.064	0.022	23.511	-0.010	-0.010	0.000	0.000	0.000	0.000
356	356	LEU	0	0.022	0.024	26.931	-0.105	-0.105	0.000	0.000	0.000	0.000
357	357	ARG	1	0.892	0.940	28.685	8.746	8.746	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.868	-0.918	27.593	-10.679	-10.679	0.000	0.000	0.000	0.000
359	359	ILE	0	0.004	-0.001	23.533	0.008	0.008	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.814	-0.885	27.982	-8.843	-8.843	0.000	0.000	0.000	0.000
361	361	THR	0	-0.080	-0.054	31.538	0.237	0.237	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.077	-0.035	26.046	0.131	0.131	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.046	-0.059	24.244	-0.085	-0.085	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.073	-0.029	31.102	0.091	0.091	0.000	0.000	0.000	0.000
365	365	THR	0	0.013	0.013	31.788	0.210	0.210	0.000	0.000	0.000	0.000
366	366	SER	0	-0.066	-0.058	34.928	0.080	0.080	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.082	-0.037	28.903	-0.122	-0.122	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.827	-0.890	33.183	-8.078	-8.078	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.948	-0.978	34.122	-8.321	-8.321	0.000	0.000	0.000	0.000
370	370	MET	0	-0.043	-0.012	32.889	-0.019	-0.019	0.000	0.000	0.000	0.000
371	371	PRO	0	0.000	-0.002	35.514	0.184	0.184	0.000	0.000	0.000	0.000
372	372	LEU	0	-0.011	0.003	37.685	-0.109	-0.109	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.078	-0.053	39.070	-0.256	-0.256	0.000	0.000	0.000	0.000
374	374	VAL	0	0.034	0.006	33.707	0.025	0.025	0.000	0.000	0.000	0.000
375	375	ALA	0	0.015	-0.002	35.466	-0.124	-0.124	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.851	-0.913	36.538	-7.602	-7.602	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.124	-0.049	35.811	0.061	0.061	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.945	-0.961	31.239	-9.132	-9.132	0.000	0.000	0.000	0.000
379	379	A	0	-0.361	-0.300	19.559	-0.010	-0.010	0.000	0.000	0.000	0.000
380	379	A	-1	-0.493	-0.610	15.676	-16.899	-16.899	0.000	0.000	0.000	0.000
381	380	G	0	-0.349	-0.311	18.267	-0.814	-0.814	0.000	0.000	0.000	0.000
382	380	G	-1	-0.529	-0.629	15.691	-17.270	-17.270	0.000	0.000	0.000	0.000
383	381	A	0	-0.339	-0.292	15.814	-0.467	-0.467	0.000	0.000	0.000	0.000
384	381	A	-1	-0.616	-0.673	13.122	-19.666	-19.666	0.000	0.000	0.000	0.000
385	382	G	0	-0.351	-0.309	12.248	-0.355	-0.355	0.000	0.000	0.000	0.000
386	382	G	-1	-0.529	-0.658	8.992	-27.880	-27.880	0.000	0.000	0.000	0.000
387	383	A	0	-0.351	-0.305	8.727	-0.656	-0.656	0.000	0.000	0.000	0.000
388	383	A	-1	-0.436	-0.578	4.902	-40.540	-40.540	0.000	0.000	0.000	0.000
396	387	G	-1	-0.682	-0.712	7.982	-20.948	-20.948	0.000	0.000	0.000	0.000
397	388	G	0	-0.377	-0.315	5.084	5.010	5.010	0.000	0.000	0.000	0.000

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