FMO DATABASE

FMODB ID: 9MMR2

Calculation Name: 4OPF-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4OPF

Chain ID: A

ChEMBL ID:

UniProt ID: B2WW42

Base Structure: X-ray

Registration Date: 2023-09-27

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptHSide
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	372
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-5729269.308225
FMO2-HF: Nuclear repulsion	5593965.794589
FMO2-HF: Total energy	-135303.513636
FMO2-MP2: Total energy	-135701.980543

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:6120:PRO)

Summations of interaction energy for fragment #1(A:6120:PRO)

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.
-13.111	-6.511	0.657	-2.938	-4.321	-0.011

Interaction energy analysis for fragmet #1(A:6120:PRO)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.025 / q_NPA : -0.008

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.	ChainChain species.	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].
3	A	6122	ASP	-1	-0.758	-0.852	3.828	-3.379	-1.644	-0.021	-0.706	-1.009	0.001
4	A	6123	ILE	0	-0.034	-0.011	6.486	0.303	0.303	0.000	0.000	0.000	0.000
5	A	6124	ALA	0	0.017	0.024	9.651	0.015	0.015	0.000	0.000	0.000	0.000
6	A	6125	VAL	0	-0.005	-0.013	12.955	0.080	0.080	0.000	0.000	0.000	0.000
7	A	6126	VAL	0	0.017	-0.009	15.764	-0.019	-0.019	0.000	0.000	0.000	0.000
8	A	6127	GLY	0	0.001	0.007	18.573	0.010	0.010	0.000	0.000	0.000	0.000
9	A	6128	MET	0	-0.104	-0.044	20.509	0.002	0.002	0.000	0.000	0.000	0.000
10	A	6129	SER	0	-0.003	-0.031	22.582	-0.005	-0.005	0.000	0.000	0.000	0.000
11	A	6130	GLY	0	0.010	-0.010	25.095	0.007	0.007	0.000	0.000	0.000	0.000
12	A	6131	ARG	1	0.749	0.868	27.404	0.009	0.009	0.000	0.000	0.000	0.000
13	A	6132	PHE	0	0.020	-0.006	25.358	0.008	0.008	0.000	0.000	0.000	0.000
14	A	6133	PRO	0	0.047	0.030	31.327	-0.004	-0.004	0.000	0.000	0.000	0.000
15	A	6134	GLY	0	0.031	0.008	33.822	-0.003	-0.003	0.000	0.000	0.000	0.000
16	A	6135	ALA	0	-0.072	-0.039	31.587	-0.005	-0.005	0.000	0.000	0.000	0.000
17	A	6136	PRO	0	0.046	0.017	32.433	0.001	0.001	0.000	0.000	0.000	0.000
18	A	6137	ASP	-1	-0.841	-0.910	30.958	-0.052	-0.052	0.000	0.000	0.000	0.000
19	A	6138	LEU	0	0.027	-0.002	24.570	0.001	0.001	0.000	0.000	0.000	0.000
20	A	6139	ASP	-1	-0.852	-0.890	28.438	-0.088	-0.088	0.000	0.000	0.000	0.000
21	A	6140	ALA	0	-0.032	-0.019	30.487	0.000	0.000	0.000	0.000	0.000	0.000
22	A	6141	TYR	0	-0.030	-0.031	24.733	0.004	0.004	0.000	0.000	0.000	0.000
23	A	6142	TRP	0	0.044	0.010	24.293	0.000	0.000	0.000	0.000	0.000	0.000
24	A	6143	ARG	1	0.880	0.949	28.582	0.061	0.061	0.000	0.000	0.000	0.000
25	A	6144	LEU	0	-0.008	0.003	31.373	0.002	0.002	0.000	0.000	0.000	0.000
26	A	6145	LEU	0	-0.014	-0.020	25.964	0.003	0.003	0.000	0.000	0.000	0.000
27	A	6146	SER	0	-0.049	-0.053	28.613	0.001	0.001	0.000	0.000	0.000	0.000
28	A	6147	GLU	-1	-0.798	-0.876	29.918	-0.046	-0.046	0.000	0.000	0.000	0.000
29	A	6148	GLY	0	-0.020	0.002	32.181	0.003	0.003	0.000	0.000	0.000	0.000
30	A	6149	ARG	1	0.778	0.866	33.173	0.043	0.043	0.000	0.000	0.000	0.000
31	A	6150	SER	0	-0.029	-0.039	33.914	0.001	0.001	0.000	0.000	0.000	0.000
32	A	6151	ALA	0	-0.008	0.002	35.306	-0.001	-0.001	0.000	0.000	0.000	0.000
33	A	6152	ILE	0	-0.074	-0.011	35.410	0.003	0.003	0.000	0.000	0.000	0.000
34	A	6153	ALA	0	-0.006	-0.001	38.207	0.000	0.000	0.000	0.000	0.000	0.000
35	A	6169	GLY	0	0.034	-0.009	36.486	-0.001	-0.001	0.000	0.000	0.000	0.000
36	A	6170	LEU	0	-0.031	-0.012	35.870	0.003	0.003	0.000	0.000	0.000	0.000
37	A	6171	LEU	0	-0.029	-0.008	32.578	-0.004	-0.004	0.000	0.000	0.000	0.000
38	A	6172	ASP	-1	-0.906	-0.950	36.658	-0.004	-0.004	0.000	0.000	0.000	0.000
39	A	6173	LEU	0	-0.075	-0.046	35.631	-0.003	-0.003	0.000	0.000	0.000	0.000
40	A	6174	GLU	-1	-0.922	-0.962	39.569	-0.014	-0.014	0.000	0.000	0.000	0.000
41	A	6175	GLY	0	-0.021	-0.002	41.488	0.000	0.000	0.000	0.000	0.000	0.000
42	A	6176	PHE	0	-0.027	-0.033	36.137	-0.001	-0.001	0.000	0.000	0.000	0.000
43	A	6177	ASP	-1	-0.791	-0.908	39.497	-0.012	-0.012	0.000	0.000	0.000	0.000
44	A	6178	PRO	0	0.020	0.000	39.998	-0.001	-0.001	0.000	0.000	0.000	0.000
45	A	6179	GLY	0	0.050	0.031	40.711	0.001	0.001	0.000	0.000	0.000	0.000
46	A	6180	HIS	0	-0.034	-0.005	36.293	-0.004	-0.004	0.000	0.000	0.000	0.000
47	A	6181	PHE	0	-0.058	-0.038	33.184	-0.002	-0.002	0.000	0.000	0.000	0.000
48	A	6182	HIS	0	-0.037	-0.013	37.645	0.005	0.005	0.000	0.000	0.000	0.000
49	A	6183	LEU	0	-0.034	-0.005	37.510	0.004	0.004	0.000	0.000	0.000	0.000
50	A	6184	SER	0	-0.021	-0.046	41.764	-0.002	-0.002	0.000	0.000	0.000	0.000
51	A	6185	ASP	-1	-0.769	-0.875	44.096	0.004	0.004	0.000	0.000	0.000	0.000
52	A	6186	ALA	0	-0.007	0.002	45.872	0.001	0.001	0.000	0.000	0.000	0.000
53	A	6187	ASP	-1	-0.815	-0.876	41.932	0.018	0.018	0.000	0.000	0.000	0.000
54	A	6188	ALA	0	-0.008	-0.015	41.002	0.003	0.003	0.000	0.000	0.000	0.000
55	A	6189	ALA	0	-0.048	-0.024	41.825	0.002	0.002	0.000	0.000	0.000	0.000
56	A	6190	ALA	0	-0.008	0.003	43.478	0.002	0.002	0.000	0.000	0.000	0.000
57	A	6191	MET	0	-0.015	0.005	36.086	0.003	0.003	0.000	0.000	0.000	0.000
58	A	6192	ASP	-1	-0.799	-0.869	34.496	0.044	0.044	0.000	0.000	0.000	0.000
59	A	6193	PRO	0	0.065	0.026	36.381	-0.001	-0.001	0.000	0.000	0.000	0.000
60	A	6194	GLN	0	-0.002	-0.028	31.859	-0.004	-0.004	0.000	0.000	0.000	0.000
61	A	6195	ALA	0	-0.026	-0.016	32.099	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	6196	LEU	0	-0.011	-0.002	32.876	-0.003	-0.003	0.000	0.000	0.000	0.000
63	A	6197	LEU	0	0.018	0.012	31.588	-0.005	-0.005	0.000	0.000	0.000	0.000
64	A	6198	LEU	0	0.009	0.000	26.825	-0.005	-0.005	0.000	0.000	0.000	0.000
65	A	6199	LEU	0	-0.020	0.016	29.297	-0.005	-0.005	0.000	0.000	0.000	0.000
66	A	6200	GLU	-1	-0.757	-0.847	31.220	-0.018	-0.018	0.000	0.000	0.000	0.000
67	A	6201	GLU	-1	-0.752	-0.856	27.886	-0.036	-0.036	0.000	0.000	0.000	0.000
68	A	6202	THR	0	-0.026	-0.022	25.477	-0.006	-0.006	0.000	0.000	0.000	0.000
69	A	6203	LEU	0	0.004	0.013	27.147	-0.010	-0.010	0.000	0.000	0.000	0.000
70	A	6204	PHE	0	-0.023	-0.022	29.301	-0.009	-0.009	0.000	0.000	0.000	0.000
71	A	6205	ALA	0	-0.005	0.002	23.606	-0.011	-0.011	0.000	0.000	0.000	0.000
72	A	6206	PHE	0	-0.013	-0.012	23.684	-0.014	-0.014	0.000	0.000	0.000	0.000
73	A	6207	CYS	0	-0.007	0.001	26.219	-0.009	-0.009	0.000	0.000	0.000	0.000
74	A	6208	ASP	-1	-0.745	-0.849	23.790	-0.141	-0.141	0.000	0.000	0.000	0.000
75	A	6209	ALA	0	-0.002	0.001	22.538	-0.015	-0.015	0.000	0.000	0.000	0.000
76	A	6210	GLY	0	-0.014	0.000	23.971	-0.015	-0.015	0.000	0.000	0.000	0.000
77	A	6211	TYR	0	-0.125	-0.082	21.814	0.001	0.001	0.000	0.000	0.000	0.000
78	A	6212	ALA	0	0.032	0.014	27.362	0.008	0.008	0.000	0.000	0.000	0.000
79	A	6213	PRO	0	0.030	-0.009	29.473	-0.002	-0.002	0.000	0.000	0.000	0.000
80	A	6214	ASP	-1	-0.893	-0.952	30.195	-0.032	-0.032	0.000	0.000	0.000	0.000
81	A	6215	GLU	-1	-0.846	-0.895	27.701	-0.102	-0.102	0.000	0.000	0.000	0.000
82	A	6216	LEU	0	-0.054	-0.039	23.932	-0.006	-0.006	0.000	0.000	0.000	0.000
83	A	6217	LYS	1	0.857	0.940	26.904	0.023	0.023	0.000	0.000	0.000	0.000
84	A	6218	GLY	0	-0.021	-0.016	28.850	-0.005	-0.005	0.000	0.000	0.000	0.000
85	A	6219	ARG	1	0.823	0.903	22.182	0.083	0.083	0.000	0.000	0.000	0.000
86	A	6220	GLY	0	0.020	0.016	21.704	0.013	0.013	0.000	0.000	0.000	0.000
87	A	6221	ILE	0	-0.019	-0.020	20.192	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	6222	GLY	0	0.049	0.027	19.506	0.011	0.011	0.000	0.000	0.000	0.000
89	A	6223	VAL	0	-0.036	-0.007	20.561	-0.020	-0.020	0.000	0.000	0.000	0.000
90	A	6224	TYR	0	0.010	0.001	17.852	0.014	0.014	0.000	0.000	0.000	0.000
91	A	6225	VAL	0	0.013	-0.001	20.862	-0.014	-0.014	0.000	0.000	0.000	0.000
92	A	6226	GLY	0	0.000	-0.001	23.122	0.018	0.018	0.000	0.000	0.000	0.000
93	A	6227	GLY	0	0.023	-0.019	23.753	-0.017	-0.017	0.000	0.000	0.000	0.000
94	A	6228	ARG	1	0.850	0.907	27.452	-0.081	-0.081	0.000	0.000	0.000	0.000
95	A	6229	SER	0	-0.020	0.001	30.595	-0.009	-0.009	0.000	0.000	0.000	0.000
96	A	6230	ARG	1	0.905	0.949	32.834	-0.036	-0.036	0.000	0.000	0.000	0.000
97	A	6249	GLY	0	0.040	0.016	34.087	-0.001	-0.001	0.000	0.000	0.000	0.000
98	A	6250	GLN	0	0.018	-0.013	31.999	0.002	0.002	0.000	0.000	0.000	0.000
99	A	6251	ASN	0	0.039	0.003	27.171	0.011	0.011	0.000	0.000	0.000	0.000
100	A	6252	TYR	0	-0.028	-0.040	29.495	0.000	0.000	0.000	0.000	0.000	0.000
101	A	6253	LEU	0	0.002	0.014	28.751	-0.006	-0.006	0.000	0.000	0.000	0.000
102	A	6254	ALA	0	0.022	0.019	25.435	-0.007	-0.007	0.000	0.000	0.000	0.000
103	A	6255	ALA	0	-0.010	-0.015	27.205	-0.008	-0.008	0.000	0.000	0.000	0.000
104	A	6256	ASN	0	0.033	-0.004	29.819	-0.006	-0.006	0.000	0.000	0.000	0.000
105	A	6257	LEU	0	0.014	0.022	26.226	-0.006	-0.006	0.000	0.000	0.000	0.000
106	A	6258	SER	0	-0.001	-0.022	26.747	-0.009	-0.009	0.000	0.000	0.000	0.000
107	A	6259	HIS	0	-0.033	-0.011	28.375	-0.005	-0.005	0.000	0.000	0.000	0.000
108	A	6260	HIS	0	-0.004	0.006	31.979	-0.005	-0.005	0.000	0.000	0.000	0.000
109	A	6261	PHE	0	-0.030	-0.025	28.488	-0.006	-0.006	0.000	0.000	0.000	0.000
110	A	6262	ASP	-1	-0.780	-0.858	29.659	-0.003	-0.003	0.000	0.000	0.000	0.000
111	A	6263	LEU	0	-0.022	0.011	24.329	-0.005	-0.005	0.000	0.000	0.000	0.000
112	A	6264	ARG	1	0.820	0.877	25.416	-0.005	-0.005	0.000	0.000	0.000	0.000
113	A	6265	GLY	0	0.000	0.017	21.798	0.009	0.009	0.000	0.000	0.000	0.000
114	A	6266	PRO	0	0.006	-0.005	19.840	-0.002	-0.002	0.000	0.000	0.000	0.000
115	A	6267	SER	0	0.030	0.032	22.210	-0.010	-0.010	0.000	0.000	0.000	0.000
116	A	6268	THR	0	-0.040	-0.018	21.599	0.014	0.014	0.000	0.000	0.000	0.000
117	A	6269	VAL	0	0.024	0.022	23.440	-0.006	-0.006	0.000	0.000	0.000	0.000
118	A	6270	VAL	0	-0.056	-0.029	20.749	0.015	0.015	0.000	0.000	0.000	0.000
119	A	6271	ASP	-1	-0.737	-0.852	24.106	0.097	0.097	0.000	0.000	0.000	0.000
120	A	6272	THR	0	-0.039	-0.033	22.186	0.010	0.010	0.000	0.000	0.000	0.000
121	A	6273	ALA	0	0.026	0.003	24.657	0.002	0.002	0.000	0.000	0.000	0.000
122	A	6274	CYS	0	-0.002	0.035	23.958	0.003	0.003	0.000	0.000	0.000	0.000
123	A	6275	SER	0	0.048	0.039	20.227	0.003	0.003	0.000	0.000	0.000	0.000
124	A	6276	SER	0	-0.034	-0.022	20.242	0.021	0.021	0.000	0.000	0.000	0.000
125	A	6277	ALA	0	0.073	0.025	20.520	0.015	0.015	0.000	0.000	0.000	0.000
126	A	6278	LEU	0	0.010	0.009	15.389	0.002	0.002	0.000	0.000	0.000	0.000
127	A	6279	VAL	0	-0.018	-0.015	15.713	0.053	0.053	0.000	0.000	0.000	0.000
128	A	6280	ALA	0	-0.004	-0.001	16.802	0.037	0.037	0.000	0.000	0.000	0.000
129	A	6281	LEU	0	0.013	0.005	12.950	0.011	0.011	0.000	0.000	0.000	0.000
130	A	6282	HIS	0	-0.017	-0.003	12.100	0.080	0.080	0.000	0.000	0.000	0.000
131	A	6283	HIS	0	-0.005	-0.011	12.721	0.122	0.122	0.000	0.000	0.000	0.000
132	A	6284	ALA	0	0.051	0.035	14.521	0.016	0.016	0.000	0.000	0.000	0.000
133	A	6285	ALA	0	-0.026	-0.023	8.910	-0.020	-0.020	0.000	0.000	0.000	0.000
134	A	6286	GLN	0	-0.074	-0.045	9.994	0.331	0.331	0.000	0.000	0.000	0.000
135	A	6287	ALA	0	0.063	0.042	11.424	0.011	0.011	0.000	0.000	0.000	0.000
136	A	6288	LEU	0	-0.010	-0.002	11.081	-0.051	-0.051	0.000	0.000	0.000	0.000
137	A	6289	ARG	1	0.876	0.942	3.400	-7.138	-6.126	0.022	-0.468	-0.566	0.004
138	A	6290	SER	0	-0.075	-0.057	8.861	0.008	0.008	0.000	0.000	0.000	0.000
139	A	6291	GLY	0	-0.013	-0.002	11.472	-0.054	-0.054	0.000	0.000	0.000	0.000
140	A	6292	ASP	-1	-0.878	-0.901	13.488	0.285	0.285	0.000	0.000	0.000	0.000
141	A	6293	VAL	0	-0.079	-0.040	15.515	-0.025	-0.025	0.000	0.000	0.000	0.000
142	A	6294	GLU	-1	-0.846	-0.895	15.384	-0.100	-0.100	0.000	0.000	0.000	0.000
143	A	6295	ALA	0	-0.028	-0.029	16.446	-0.053	-0.053	0.000	0.000	0.000	0.000
144	A	6296	ALA	0	-0.014	-0.009	15.911	0.043	0.043	0.000	0.000	0.000	0.000
145	A	6297	VAL	0	0.036	0.026	17.884	-0.030	-0.030	0.000	0.000	0.000	0.000
146	A	6298	VAL	0	-0.022	-0.014	16.098	0.032	0.032	0.000	0.000	0.000	0.000
147	A	6299	ALA	0	0.015	0.007	19.532	-0.023	-0.023	0.000	0.000	0.000	0.000
148	A	6300	GLY	0	-0.013	0.005	22.502	0.023	0.023	0.000	0.000	0.000	0.000
149	A	6301	VAL	0	0.005	-0.009	24.301	-0.014	-0.014	0.000	0.000	0.000	0.000
150	A	6302	THR	0	-0.051	-0.035	28.060	0.012	0.012	0.000	0.000	0.000	0.000
151	A	6303	LEU	0	0.034	0.025	30.967	-0.007	-0.007	0.000	0.000	0.000	0.000
152	A	6304	LEU	0	-0.042	-0.028	34.599	0.006	0.006	0.000	0.000	0.000	0.000
153	A	6305	PRO	0	-0.023	0.002	36.827	-0.003	-0.003	0.000	0.000	0.000	0.000
154	A	6326	HIS	0	0.001	0.017	35.453	-0.004	-0.004	0.000	0.000	0.000	0.000
155	A	6327	VAL	0	-0.005	-0.005	29.675	0.004	0.004	0.000	0.000	0.000	0.000
156	A	6328	PHE	0	0.009	-0.008	25.953	-0.008	-0.008	0.000	0.000	0.000	0.000
157	A	6329	ASP	-1	-0.743	-0.849	31.763	0.006	0.006	0.000	0.000	0.000	0.000
158	A	6330	ARG	1	0.961	0.971	35.501	-0.014	-0.014	0.000	0.000	0.000	0.000
159	A	6331	ARG	1	0.790	0.889	38.759	-0.007	-0.007	0.000	0.000	0.000	0.000
160	A	6332	ALA	0	-0.077	-0.021	34.748	0.000	0.000	0.000	0.000	0.000	0.000
161	A	6333	ARG	1	0.977	0.978	36.817	-0.031	-0.031	0.000	0.000	0.000	0.000
162	A	6334	GLY	0	0.011	0.032	34.058	0.002	0.002	0.000	0.000	0.000	0.000
163	A	6335	PHE	0	-0.037	-0.032	30.828	-0.005	-0.005	0.000	0.000	0.000	0.000
164	A	6336	THR	0	0.018	0.000	34.946	0.003	0.003	0.000	0.000	0.000	0.000
165	A	6337	PRO	0	-0.026	-0.004	34.103	0.000	0.000	0.000	0.000	0.000	0.000
166	A	6338	ALA	0	-0.003	0.003	32.291	-0.005	-0.005	0.000	0.000	0.000	0.000
167	A	6339	GLU	-1	-0.803	-0.880	32.726	0.024	0.024	0.000	0.000	0.000	0.000
168	A	6340	GLY	0	-0.007	-0.024	29.513	-0.004	-0.004	0.000	0.000	0.000	0.000
169	A	6341	VAL	0	-0.024	-0.007	27.587	0.009	0.009	0.000	0.000	0.000	0.000
170	A	6342	GLY	0	0.006	0.011	24.245	-0.011	-0.011	0.000	0.000	0.000	0.000
171	A	6343	VAL	0	-0.011	-0.014	22.697	0.016	0.016	0.000	0.000	0.000	0.000
172	A	6344	LEU	0	-0.017	-0.015	16.871	-0.019	-0.019	0.000	0.000	0.000	0.000
173	A	6345	LEU	0	0.015	0.014	19.351	0.025	0.025	0.000	0.000	0.000	0.000
174	A	6346	LEU	0	-0.045	-0.027	13.392	-0.036	-0.036	0.000	0.000	0.000	0.000
175	A	6347	LYS	1	0.931	0.948	14.417	0.267	0.267	0.000	0.000	0.000	0.000
176	A	6348	PRO	0	0.043	0.030	10.508	-0.078	-0.078	0.000	0.000	0.000	0.000
177	A	6349	LEU	0	0.032	0.004	8.737	0.062	0.062	0.000	0.000	0.000	0.000
178	A	6350	ALA	0	0.017	0.007	10.621	0.085	0.085	0.000	0.000	0.000	0.000
179	A	6351	ALA	0	-0.001	-0.003	12.256	0.088	0.088	0.000	0.000	0.000	0.000
180	A	6352	ALA	0	0.009	0.006	14.588	0.053	0.053	0.000	0.000	0.000	0.000
181	A	6353	GLU	-1	-0.945	-0.978	13.362	-0.610	-0.610	0.000	0.000	0.000	0.000
182	A	6354	ALA	0	-0.001	-0.004	16.247	0.045	0.045	0.000	0.000	0.000	0.000
183	A	6355	ALA	0	-0.048	-0.016	18.301	0.036	0.036	0.000	0.000	0.000	0.000
184	A	6356	GLY	0	-0.010	0.005	19.815	0.027	0.027	0.000	0.000	0.000	0.000
185	A	6357	ASP	-1	-0.772	-0.847	18.606	-0.209	-0.209	0.000	0.000	0.000	0.000
186	A	6358	ARG	1	0.873	0.920	19.566	0.132	0.132	0.000	0.000	0.000	0.000
187	A	6359	VAL	0	-0.006	-0.007	14.118	-0.014	-0.014	0.000	0.000	0.000	0.000
188	A	6360	HIS	0	-0.006	-0.004	17.328	-0.021	-0.021	0.000	0.000	0.000	0.000
189	A	6361	ALA	0	0.014	0.029	14.045	0.014	0.014	0.000	0.000	0.000	0.000
190	A	6362	VAL	0	0.003	0.006	8.242	0.005	0.005	0.000	0.000	0.000	0.000
191	A	6363	LEU	0	-0.014	-0.006	8.587	0.031	0.031	0.000	0.000	0.000	0.000
192	A	6364	LYS	1	0.818	0.894	4.122	2.360	2.479	-0.001	-0.012	-0.106	0.000
193	A	6365	GLY	0	0.035	0.013	4.380	0.115	0.215	-0.001	-0.016	-0.084	0.000
194	A	6366	ILE	0	-0.013	0.006	6.397	-0.215	-0.215	0.000	0.000	0.000	0.000
195	A	6367	ALA	0	-0.048	-0.011	9.255	0.326	0.326	0.000	0.000	0.000	0.000
196	A	6368	VAL	0	0.053	0.015	11.611	-0.126	-0.126	0.000	0.000	0.000	0.000
197	A	6369	ASN	0	-0.076	-0.036	15.224	0.035	0.035	0.000	0.000	0.000	0.000
198	A	6370	ASN	0	0.018	-0.007	17.887	-0.043	-0.043	0.000	0.000	0.000	0.000
199	A	6371	ASP	-1	-0.769	-0.885	21.676	0.215	0.215	0.000	0.000	0.000	0.000
200	A	6372	GLY	0	-0.035	-0.006	24.311	-0.005	-0.005	0.000	0.000	0.000	0.000
201	A	6373	ARG	1	0.933	0.968	26.298	-0.157	-0.157	0.000	0.000	0.000	0.000
202	A	6374	THR	0	0.036	0.017	28.398	0.000	0.000	0.000	0.000	0.000	0.000
203	A	6375	ALA	0	-0.031	-0.027	31.135	-0.004	-0.004	0.000	0.000	0.000	0.000
204	A	6376	GLY	0	0.032	0.010	33.398	-0.007	-0.007	0.000	0.000	0.000	0.000
205	A	6377	PRO	0	-0.014	0.001	32.286	0.006	0.006	0.000	0.000	0.000	0.000
206	A	6378	ALA	0	0.057	0.031	31.004	0.005	0.005	0.000	0.000	0.000	0.000
207	A	6379	THR	0	-0.101	-0.037	31.269	-0.007	-0.007	0.000	0.000	0.000	0.000
208	A	6380	PRO	0	0.063	0.025	26.838	0.009	0.009	0.000	0.000	0.000	0.000
209	A	6381	ASN	0	-0.014	0.002	24.866	-0.008	-0.008	0.000	0.000	0.000	0.000
210	A	6382	PRO	0	0.021	-0.011	24.107	0.015	0.015	0.000	0.000	0.000	0.000
211	A	6383	ALA	0	-0.024	-0.008	22.241	0.007	0.007	0.000	0.000	0.000	0.000
212	A	6384	ALA	0	-0.005	0.019	20.355	0.032	0.032	0.000	0.000	0.000	0.000
213	A	6385	GLN	0	0.064	0.027	19.106	0.022	0.022	0.000	0.000	0.000	0.000
214	A	6386	ARG	1	0.990	0.993	18.383	-0.158	-0.158	0.000	0.000	0.000	0.000
215	A	6387	GLY	0	0.018	0.016	16.288	0.021	0.021	0.000	0.000	0.000	0.000
216	A	6388	VAL	0	-0.046	-0.015	14.539	0.088	0.088	0.000	0.000	0.000	0.000
217	A	6389	MET	0	-0.011	-0.003	13.250	0.053	0.053	0.000	0.000	0.000	0.000
218	A	6390	ALA	0	0.052	0.026	12.393	0.018	0.018	0.000	0.000	0.000	0.000
219	A	6391	ARG	1	0.910	0.959	7.852	-1.720	-1.720	0.000	0.000	0.000	0.000
220	A	6392	ALA	0	-0.012	-0.018	8.746	0.325	0.325	0.000	0.000	0.000	0.000
221	A	6393	LEU	0	0.057	0.025	7.541	0.075	0.075	0.000	0.000	0.000	0.000
222	A	6394	ALA	0	-0.008	0.002	6.531	-0.129	-0.129	0.000	0.000	0.000	0.000
223	A	6395	LYS	1	0.747	0.873	4.330	-1.814	-1.503	-0.001	-0.033	-0.278	0.000
224	A	6396	ALA	0	0.004	-0.001	2.720	-0.686	1.217	0.541	-1.046	-1.398	-0.011
225	A	6397	GLY	0	-0.045	-0.005	3.201	-2.743	-1.429	0.114	-0.650	-0.778	-0.005
226	A	6398	VAL	0	-0.035	-0.010	3.911	-0.286	-0.180	0.004	-0.007	-0.102	0.000
227	A	6399	ALA	0	0.045	0.029	7.276	0.202	0.202	0.000	0.000	0.000	0.000
228	A	6400	ALA	0	0.025	0.002	10.824	-0.008	-0.008	0.000	0.000	0.000	0.000
229	A	6401	ASP	-1	-0.775	-0.869	13.161	-0.093	-0.093	0.000	0.000	0.000	0.000
230	A	6402	ASP	-1	-0.890	-0.941	11.179	-0.444	-0.444	0.000	0.000	0.000	0.000
231	A	6403	VAL	0	-0.080	-0.036	11.593	-0.024	-0.024	0.000	0.000	0.000	0.000
232	A	6404	THR	0	0.036	0.028	13.983	0.049	0.049	0.000	0.000	0.000	0.000
233	A	6405	TYR	0	0.046	0.002	16.854	0.028	0.028	0.000	0.000	0.000	0.000
234	A	6406	ILE	0	-0.001	-0.002	16.727	-0.005	-0.005	0.000	0.000	0.000	0.000
235	A	6407	GLU	-1	-0.776	-0.867	18.768	-0.008	-0.008	0.000	0.000	0.000	0.000
236	A	6408	THR	0	-0.042	-0.053	20.095	0.021	0.021	0.000	0.000	0.000	0.000
237	A	6409	ASN	0	0.032	0.019	22.284	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	6410	ALA	0	-0.062	-0.019	23.465	-0.006	-0.006	0.000	0.000	0.000	0.000
239	A	6411	ALA	0	0.005	-0.004	26.961	-0.003	-0.003	0.000	0.000	0.000	0.000
240	A	6412	GLY	0	0.003	-0.005	28.953	-0.004	-0.004	0.000	0.000	0.000	0.000
241	A	6413	SER	0	-0.003	-0.013	32.001	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	6414	GLN	0	0.085	0.033	32.300	0.003	0.003	0.000	0.000	0.000	0.000
243	A	6415	ILE	0	0.019	0.006	32.217	0.001	0.001	0.000	0.000	0.000	0.000
244	A	6416	PRO	0	0.042	0.014	28.768	0.004	0.004	0.000	0.000	0.000	0.000
245	A	6417	ASP	-1	-0.743	-0.873	27.963	0.055	0.055	0.000	0.000	0.000	0.000
246	A	6418	LEU	0	-0.031	-0.017	28.224	-0.001	-0.001	0.000	0.000	0.000	0.000
247	A	6419	ILE	0	-0.036	-0.022	25.869	0.002	0.002	0.000	0.000	0.000	0.000
248	A	6420	GLU	-1	-0.755	-0.879	22.352	0.090	0.090	0.000	0.000	0.000	0.000
249	A	6421	LEU	0	-0.010	-0.002	23.579	0.002	0.002	0.000	0.000	0.000	0.000
250	A	6422	LYS	1	0.899	0.952	24.501	-0.061	-0.061	0.000	0.000	0.000	0.000
251	A	6423	ALA	0	-0.045	-0.011	21.272	0.005	0.005	0.000	0.000	0.000	0.000
252	A	6424	ILE	0	0.026	-0.005	19.597	0.012	0.012	0.000	0.000	0.000	0.000
253	A	6425	ALA	0	0.030	0.022	19.707	-0.005	-0.005	0.000	0.000	0.000	0.000
254	A	6426	ALA	0	-0.039	-0.018	20.930	-0.004	-0.004	0.000	0.000	0.000	0.000
255	A	6427	VAL	0	-0.052	-0.020	14.885	0.013	0.013	0.000	0.000	0.000	0.000
256	A	6428	TYR	0	-0.043	-0.073	13.144	-0.008	-0.008	0.000	0.000	0.000	0.000
257	A	6429	ARG	1	0.744	0.857	16.327	0.050	0.050	0.000	0.000	0.000	0.000
258	A	6430	ASP	-1	-0.931	-0.942	18.975	0.069	0.069	0.000	0.000	0.000	0.000
259	A	6431	GLY	0	-0.005	0.000	20.208	-0.007	-0.007	0.000	0.000	0.000	0.000
260	A	6432	SER	0	-0.079	-0.065	19.793	-0.013	-0.013	0.000	0.000	0.000	0.000
261	A	6433	ASP	-1	-0.889	-0.948	22.177	-0.026	-0.026	0.000	0.000	0.000	0.000
262	A	6434	THR	0	-0.052	-0.039	18.944	-0.006	-0.006	0.000	0.000	0.000	0.000
263	A	6435	PRO	0	-0.022	-0.006	21.904	0.011	0.011	0.000	0.000	0.000	0.000
264	A	6436	CYS	0	-0.029	-0.006	18.462	-0.009	-0.009	0.000	0.000	0.000	0.000
265	A	6437	SER	0	-0.028	0.001	21.062	0.019	0.019	0.000	0.000	0.000	0.000
266	A	6438	LEU	0	0.029	0.015	21.373	0.001	0.001	0.000	0.000	0.000	0.000
267	A	6439	GLY	0	0.006	-0.008	23.110	-0.005	-0.005	0.000	0.000	0.000	0.000
268	A	6440	SER	0	-0.004	-0.005	24.246	0.012	0.012	0.000	0.000	0.000	0.000
269	A	6441	VAL	0	0.021	0.017	24.923	-0.006	-0.006	0.000	0.000	0.000	0.000
270	A	6442	LYS	1	0.831	0.914	26.329	-0.063	-0.063	0.000	0.000	0.000	0.000
271	A	6443	PRO	0	-0.061	-0.029	29.739	0.000	0.000	0.000	0.000	0.000	0.000
272	A	6444	ASN	0	-0.016	-0.005	30.175	0.000	0.000	0.000	0.000	0.000	0.000
273	A	6445	ILE	0	0.026	0.008	27.976	-0.002	-0.002	0.000	0.000	0.000	0.000
274	A	6446	GLY	0	0.046	0.032	32.337	0.003	0.003	0.000	0.000	0.000	0.000
275	A	6447	HIS	0	0.007	-0.012	27.132	-0.006	-0.006	0.000	0.000	0.000	0.000
276	A	6448	PRO	0	0.027	0.013	27.734	0.004	0.004	0.000	0.000	0.000	0.000
277	A	6449	GLN	0	-0.012	-0.013	28.749	0.010	0.010	0.000	0.000	0.000	0.000
278	A	6450	CYS	0	-0.035	0.010	25.867	0.003	0.003	0.000	0.000	0.000	0.000
279	A	6451	ALA	0	0.044	0.024	24.556	0.006	0.006	0.000	0.000	0.000	0.000
280	A	6452	GLU	-1	-0.832	-0.888	23.338	0.077	0.077	0.000	0.000	0.000	0.000
281	A	6453	GLY	0	0.072	0.022	20.653	-0.010	-0.010	0.000	0.000	0.000	0.000
282	A	6454	ILE	0	-0.058	-0.021	19.234	-0.010	-0.010	0.000	0.000	0.000	0.000
283	A	6455	ALA	0	0.048	0.029	21.480	-0.019	-0.019	0.000	0.000	0.000	0.000
284	A	6456	GLY	0	0.027	0.028	21.280	-0.017	-0.017	0.000	0.000	0.000	0.000
285	A	6457	VAL	0	-0.003	-0.006	16.221	-0.019	-0.019	0.000	0.000	0.000	0.000
286	A	6458	ILE	0	0.008	0.006	18.607	-0.031	-0.031	0.000	0.000	0.000	0.000
287	A	6459	LYS	1	0.833	0.917	21.090	0.019	0.019	0.000	0.000	0.000	0.000
288	A	6460	THR	0	0.006	-0.009	16.343	-0.014	-0.014	0.000	0.000	0.000	0.000
289	A	6461	VAL	0	-0.004	0.002	16.117	-0.030	-0.030	0.000	0.000	0.000	0.000
290	A	6462	LEU	0	-0.015	-0.010	18.278	-0.023	-0.023	0.000	0.000	0.000	0.000
291	A	6463	MET	0	-0.052	-0.010	20.272	0.000	0.000	0.000	0.000	0.000	0.000
292	A	6464	LEU	0	-0.046	-0.012	14.278	-0.011	-0.011	0.000	0.000	0.000	0.000
293	A	6465	ARG	1	0.909	0.939	18.262	0.138	0.138	0.000	0.000	0.000	0.000
294	A	6466	ASN	0	-0.075	-0.039	20.108	-0.007	-0.007	0.000	0.000	0.000	0.000
295	A	6467	ARG	1	0.911	0.973	19.750	0.271	0.271	0.000	0.000	0.000	0.000
296	A	6468	ALA	0	0.029	0.010	21.835	0.010	0.010	0.000	0.000	0.000	0.000
297	A	6469	ILE	0	-0.025	-0.008	21.731	-0.001	-0.001	0.000	0.000	0.000	0.000
298	A	6470	VAL	0	0.006	0.005	24.376	0.004	0.004	0.000	0.000	0.000	0.000
299	A	6471	PRO	0	-0.027	0.001	27.003	0.003	0.003	0.000	0.000	0.000	0.000
300	A	6472	PHE	0	0.004	-0.006	27.873	0.006	0.006	0.000	0.000	0.000	0.000
301	A	6473	LEU	0	0.015	0.009	29.639	0.002	0.002	0.000	0.000	0.000	0.000
302	A	6474	SER	0	-0.036	-0.019	32.145	0.004	0.004	0.000	0.000	0.000	0.000
303	A	6475	GLY	0	0.073	0.049	32.517	-0.005	-0.005	0.000	0.000	0.000	0.000
304	A	6476	ARG	1	0.807	0.903	33.379	-0.004	-0.004	0.000	0.000	0.000	0.000
305	A	6477	GLN	0	-0.032	-0.042	36.444	0.001	0.001	0.000	0.000	0.000	0.000
306	A	6478	PRO	0	0.043	0.043	34.832	0.004	0.004	0.000	0.000	0.000	0.000
307	A	6479	LEU	0	-0.017	-0.003	31.774	0.001	0.001	0.000	0.000	0.000	0.000
308	A	6480	GLU	-1	-0.899	-0.942	35.693	0.029	0.029	0.000	0.000	0.000	0.000
309	A	6481	HIS	0	-0.046	-0.027	35.255	0.001	0.001	0.000	0.000	0.000	0.000
310	A	6482	PHE	0	-0.017	-0.043	27.348	0.009	0.009	0.000	0.000	0.000	0.000
311	A	6483	ASP	-1	-0.784	-0.879	32.755	0.004	0.004	0.000	0.000	0.000	0.000
312	A	6484	PHE	0	-0.060	-0.052	28.750	0.002	0.002	0.000	0.000	0.000	0.000
313	A	6485	ALA	0	-0.020	-0.006	31.896	-0.006	-0.006	0.000	0.000	0.000	0.000
314	A	6486	ALA	0	0.000	0.016	31.421	-0.002	-0.002	0.000	0.000	0.000	0.000
315	A	6487	THR	0	-0.068	-0.028	26.381	0.001	0.001	0.000	0.000	0.000	0.000
316	A	6488	PRO	0	0.062	0.046	23.407	-0.001	-0.001	0.000	0.000	0.000	0.000
317	A	6489	LEU	0	-0.038	-0.022	22.527	-0.008	-0.008	0.000	0.000	0.000	0.000
318	A	6490	ARG	1	0.859	0.903	25.001	0.061	0.061	0.000	0.000	0.000	0.000
319	A	6491	PHE	0	-0.012	-0.010	25.782	0.000	0.000	0.000	0.000	0.000	0.000
320	A	6492	GLU	-1	-0.759	-0.835	26.767	-0.063	-0.063	0.000	0.000	0.000	0.000
321	A	6493	ARG	1	0.808	0.878	28.609	0.025	0.025	0.000	0.000	0.000	0.000
322	A	6494	ALA	0	-0.006	-0.005	31.000	0.003	0.003	0.000	0.000	0.000	0.000
323	A	6495	LEU	0	0.006	0.007	27.885	-0.003	-0.003	0.000	0.000	0.000	0.000
324	A	6496	THR	0	-0.023	-0.003	26.248	0.003	0.003	0.000	0.000	0.000	0.000
325	A	6497	PRO	0	0.010	0.005	26.112	-0.005	-0.005	0.000	0.000	0.000	0.000
326	A	6498	TRP	0	-0.058	-0.045	16.871	0.014	0.014	0.000	0.000	0.000	0.000
327	A	6499	PRO	0	-0.011	-0.003	21.148	0.003	0.003	0.000	0.000	0.000	0.000
328	A	6500	ASP	-1	-0.939	-0.966	21.678	-0.207	-0.207	0.000	0.000	0.000	0.000
329	A	6501	ALA	0	0.024	0.006	18.358	0.005	0.005	0.000	0.000	0.000	0.000
330	A	6502	PRO	0	0.042	0.031	13.483	-0.013	-0.013	0.000	0.000	0.000	0.000
331	A	6503	LEU	0	-0.036	-0.003	14.821	0.036	0.036	0.000	0.000	0.000	0.000
332	A	6504	LEU	0	-0.005	-0.011	8.812	-0.079	-0.079	0.000	0.000	0.000	0.000
333	A	6505	ALA	0	0.021	0.002	12.969	0.052	0.052	0.000	0.000	0.000	0.000
334	A	6506	ALA	0	0.014	0.014	12.961	-0.018	-0.018	0.000	0.000	0.000	0.000
335	A	6507	VAL	0	-0.028	-0.010	14.637	-0.010	-0.010	0.000	0.000	0.000	0.000
336	A	6508	SER	0	-0.011	0.004	15.955	0.049	0.049	0.000	0.000	0.000	0.000
337	A	6509	SER	0	-0.034	-0.032	18.383	-0.015	-0.015	0.000	0.000	0.000	0.000
338	A	6510	PHE	0	-0.035	-0.040	18.179	0.033	0.033	0.000	0.000	0.000	0.000
339	A	6511	ALA	0	0.004	-0.007	22.517	-0.019	-0.019	0.000	0.000	0.000	0.000
340	A	6512	ASP	-1	-0.894	-0.956	25.185	0.110	0.110	0.000	0.000	0.000	0.000
341	A	6513	GLY	0	-0.054	-0.025	27.748	0.003	0.003	0.000	0.000	0.000	0.000
342	A	6514	GLY	0	0.033	0.034	25.584	0.005	0.005	0.000	0.000	0.000	0.000
343	A	6515	THR	0	-0.044	-0.021	20.227	0.021	0.021	0.000	0.000	0.000	0.000
344	A	6516	ASN	0	-0.023	-0.014	18.952	-0.050	-0.050	0.000	0.000	0.000	0.000
345	A	6517	ALA	0	0.006	-0.013	15.913	0.057	0.057	0.000	0.000	0.000	0.000
346	A	6518	HIS	0	0.031	0.027	12.851	-0.069	-0.069	0.000	0.000	0.000	0.000
347	A	6519	ALA	0	0.004	-0.001	11.199	0.110	0.110	0.000	0.000	0.000	0.000
348	A	6520	VAL	0	0.041	0.025	8.594	-0.048	-0.048	0.000	0.000	0.000	0.000
349	A	6521	LEU	0	-0.001	-0.012	9.396	-0.055	-0.055	0.000	0.000	0.000	0.000
350	A	6522	ALA	0	0.037	0.022	9.263	0.007	0.007	0.000	0.000	0.000	0.000
351	A	6523	GLY	0	0.001	0.008	11.273	0.028	0.028	0.000	0.000	0.000	0.000
352	A	6524	ARG	1	0.832	0.923	12.899	0.484	0.484	0.000	0.000	0.000	0.000
353	A	6525	THR	0	0.091	0.026	14.616	-0.015	-0.015	0.000	0.000	0.000	0.000
354	A	6526	ASN	0	-0.122	-0.084	15.804	0.054	0.054	0.000	0.000	0.000	0.000
355	A	6527	GLY	0	0.084	0.042	18.970	0.016	0.016	0.000	0.000	0.000	0.000
356	A	6528	THR	0	-0.066	-0.030	18.242	0.003	0.003	0.000	0.000	0.000	0.000
357	A	6529	THR	0	-0.013	0.002	17.034	0.022	0.022	0.000	0.000	0.000	0.000
358	A	6530	GLY	0	0.001	-0.011	19.788	0.026	0.026	0.000	0.000	0.000	0.000
359	A	6531	ARG	1	0.881	0.939	21.365	0.234	0.234	0.000	0.000	0.000	0.000
360	A	6532	ARG	1	0.873	0.936	24.008	0.147	0.147	0.000	0.000	0.000	0.000
361	A	6533	ALA	0	-0.040	-0.025	25.564	-0.007	-0.007	0.000	0.000	0.000	0.000
362	A	6534	PRO	0	-0.018	-0.010	27.171	0.002	0.002	0.000	0.000	0.000	0.000
363	A	6535	LEU	0	-0.016	-0.001	28.657	0.004	0.004	0.000	0.000	0.000	0.000
364	A	6536	ASP	-1	-0.905	-0.959	31.501	-0.067	-0.067	0.000	0.000	0.000	0.000
365	A	6537	ARG	1	0.848	0.928	29.875	0.049	0.049	0.000	0.000	0.000	0.000
366	A	6538	PRO	0	0.031	0.026	34.171	0.001	0.001	0.000	0.000	0.000	0.000
367	A	6539	ARG	1	0.925	0.947	37.235	0.041	0.041	0.000	0.000	0.000	0.000
368	A	6540	LEU	0	-0.007	0.013	35.893	0.002	0.002	0.000	0.000	0.000	0.000
369	A	6541	ALA	0	-0.016	-0.018	40.353	0.000	0.000	0.000	0.000	0.000	0.000
370	A	6542	ARG	1	0.810	0.896	36.050	0.019	0.019	0.000	0.000	0.000	0.000
371	A	6543	ARG	1	0.852	0.896	43.359	0.001	0.001	0.000	0.000	0.000	0.000
372	A	6544	GLY	0	0.013	0.013	44.254	0.002	0.002	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:6120:PRO)