FMO DATABASE

FMODB ID: 94M32

Calculation Name: 4NEE-G-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4NEE

Chain ID: G

ChEMBL ID:

UniProt ID: P18484

Base Structure: X-ray

Registration Date: 2023-06-22

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

DOI:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
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	388
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-5980683.871997
FMO2-HF: Nuclear repulsion	5827888.879846
FMO2-HF: Total energy	-152794.992151
FMO2-MP2: Total energy	-153238.377781

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(G:9:GLY)

Summations of interaction energy for fragment #1(G:9:GLY)

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.
5.861	7.753	-0.012	-1.059	-0.821	0.003

Interaction energy analysis for fragmet #1(G:9:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.110 / q_NPA : 0.064

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	G	11	ARG	1	1.026	1.017	3.870	1.730	3.389	-0.011	-0.922	-0.726	0.003
4	G	12	GLY	0	0.024	0.008	5.810	0.638	0.638	0.000	0.000	0.000	0.000
5	G	13	LEU	0	0.024	0.008	6.612	0.312	0.312	0.000	0.000	0.000	0.000
6	G	14	ALA	0	0.015	0.003	6.441	0.291	0.291	0.000	0.000	0.000	0.000
7	G	15	VAL	0	0.011	0.001	8.376	0.213	0.213	0.000	0.000	0.000	0.000
8	G	16	PHE	0	0.014	0.010	11.138	0.116	0.116	0.000	0.000	0.000	0.000
9	G	17	ILE	0	0.044	0.018	9.085	0.092	0.092	0.000	0.000	0.000	0.000
10	G	18	SER	0	-0.025	-0.019	12.377	0.101	0.101	0.000	0.000	0.000	0.000
11	G	19	ASP	-1	-0.839	-0.914	14.112	-0.366	-0.366	0.000	0.000	0.000	0.000
12	G	20	ILE	0	-0.010	-0.003	16.312	0.041	0.041	0.000	0.000	0.000	0.000
13	G	21	ARG	1	0.936	0.966	14.595	0.069	0.069	0.000	0.000	0.000	0.000
14	G	22	ASN	0	0.015	0.032	18.304	0.050	0.050	0.000	0.000	0.000	0.000
15	G	23	CYS	0	-0.108	-0.040	20.146	0.000	0.000	0.000	0.000	0.000	0.000
16	G	24	LYS	1	0.900	0.941	22.767	0.138	0.138	0.000	0.000	0.000	0.000
17	G	25	SER	0	-0.006	-0.023	26.140	0.008	0.008	0.000	0.000	0.000	0.000
18	G	26	LYS	1	1.063	1.030	26.037	0.031	0.031	0.000	0.000	0.000	0.000
19	G	27	GLU	-1	-0.771	-0.877	26.714	-0.092	-0.092	0.000	0.000	0.000	0.000
20	G	28	ALA	0	-0.076	-0.028	25.385	-0.012	-0.012	0.000	0.000	0.000	0.000
21	G	29	GLU	-1	-0.857	-0.932	21.361	-0.125	-0.125	0.000	0.000	0.000	0.000
22	G	30	ILE	0	0.081	0.036	22.744	-0.022	-0.022	0.000	0.000	0.000	0.000
23	G	31	LYS	1	0.924	0.971	24.826	0.104	0.104	0.000	0.000	0.000	0.000
24	G	32	ARG	1	0.722	0.841	16.111	0.382	0.382	0.000	0.000	0.000	0.000
25	G	33	ILE	0	0.050	0.024	19.487	-0.046	-0.046	0.000	0.000	0.000	0.000
26	G	34	ASN	0	0.000	-0.009	20.982	-0.021	-0.021	0.000	0.000	0.000	0.000
27	G	35	LYS	1	0.950	0.977	22.055	0.210	0.210	0.000	0.000	0.000	0.000
28	G	36	GLU	-1	-0.772	-0.865	15.987	-0.573	-0.573	0.000	0.000	0.000	0.000
29	G	37	LEU	0	0.053	0.026	19.160	-0.027	-0.027	0.000	0.000	0.000	0.000
30	G	38	ALA	0	0.016	0.011	21.138	0.000	0.000	0.000	0.000	0.000	0.000
31	G	39	ASN	0	-0.044	-0.015	16.453	0.014	0.014	0.000	0.000	0.000	0.000
32	G	40	ILE	0	-0.013	-0.009	15.631	-0.019	-0.019	0.000	0.000	0.000	0.000
33	G	41	ARG	1	0.824	0.879	18.845	0.178	0.178	0.000	0.000	0.000	0.000
34	G	42	SER	0	-0.040	-0.035	22.406	0.023	0.023	0.000	0.000	0.000	0.000
35	G	43	LYS	1	0.822	0.913	17.649	0.413	0.413	0.000	0.000	0.000	0.000
36	G	44	PHE	0	-0.010	-0.024	16.039	-0.013	-0.013	0.000	0.000	0.000	0.000
37	G	45	LYS	1	0.951	0.985	20.976	0.190	0.190	0.000	0.000	0.000	0.000
38	G	46	GLY	0	-0.006	0.011	22.877	0.015	0.015	0.000	0.000	0.000	0.000
39	G	47	ASP	-1	-0.807	-0.886	23.994	-0.237	-0.237	0.000	0.000	0.000	0.000
40	G	48	LYS	1	0.816	0.895	21.300	0.263	0.263	0.000	0.000	0.000	0.000
41	G	49	ALA	0	0.055	0.024	20.969	-0.027	-0.027	0.000	0.000	0.000	0.000
42	G	50	LEU	0	-0.023	-0.008	15.231	-0.035	-0.035	0.000	0.000	0.000	0.000
43	G	51	ASP	-1	-0.753	-0.855	12.061	-0.770	-0.770	0.000	0.000	0.000	0.000
44	G	52	GLY	0	0.020	0.001	12.688	-0.012	-0.012	0.000	0.000	0.000	0.000
45	G	53	TYR	0	0.001	-0.019	4.253	0.617	0.850	-0.001	-0.137	-0.095	0.000
46	G	54	SER	0	-0.054	-0.079	9.200	-0.242	-0.242	0.000	0.000	0.000	0.000
47	G	55	LYS	1	0.887	0.966	11.562	0.330	0.330	0.000	0.000	0.000	0.000
48	G	56	LYS	1	0.893	0.941	6.240	0.678	0.678	0.000	0.000	0.000	0.000
49	G	57	LYS	1	0.882	0.955	8.000	1.330	1.330	0.000	0.000	0.000	0.000
50	G	58	TYR	0	-0.011	-0.023	9.419	-0.034	-0.034	0.000	0.000	0.000	0.000
51	G	59	VAL	0	0.080	0.045	13.006	0.058	0.058	0.000	0.000	0.000	0.000
52	G	60	CYS	0	-0.043	-0.019	9.247	0.074	0.074	0.000	0.000	0.000	0.000
53	G	61	LYS	1	0.766	0.900	11.435	0.767	0.767	0.000	0.000	0.000	0.000
54	G	62	LEU	0	0.028	0.018	13.260	0.045	0.045	0.000	0.000	0.000	0.000
55	G	63	LEU	0	0.041	0.030	12.985	0.033	0.033	0.000	0.000	0.000	0.000
56	G	64	PHE	0	-0.034	-0.023	12.867	0.028	0.028	0.000	0.000	0.000	0.000
57	G	65	ILE	0	-0.004	-0.014	14.954	0.021	0.021	0.000	0.000	0.000	0.000
58	G	66	PHE	0	0.074	0.033	18.258	0.019	0.019	0.000	0.000	0.000	0.000
59	G	67	LEU	0	-0.043	-0.021	15.143	0.022	0.022	0.000	0.000	0.000	0.000
60	G	68	LEU	0	-0.085	-0.034	17.342	0.014	0.014	0.000	0.000	0.000	0.000
61	G	69	GLY	0	-0.009	0.006	20.346	0.005	0.005	0.000	0.000	0.000	0.000
62	G	70	HIS	0	-0.101	-0.055	22.102	-0.004	-0.004	0.000	0.000	0.000	0.000
63	G	71	ASP	-1	-0.846	-0.927	23.033	-0.085	-0.085	0.000	0.000	0.000	0.000
64	G	72	ILE	0	-0.104	-0.063	20.136	-0.025	-0.025	0.000	0.000	0.000	0.000
65	G	73	ASP	-1	-0.749	-0.820	23.536	-0.139	-0.139	0.000	0.000	0.000	0.000
66	G	74	PHE	0	-0.063	-0.036	20.727	-0.006	-0.006	0.000	0.000	0.000	0.000
67	G	75	GLY	0	0.055	0.017	19.742	-0.007	-0.007	0.000	0.000	0.000	0.000
68	G	76	HIS	0	0.001	-0.003	19.631	-0.016	-0.016	0.000	0.000	0.000	0.000
69	G	77	MET	0	0.021	0.023	21.788	0.012	0.012	0.000	0.000	0.000	0.000
70	G	78	GLU	-1	-0.860	-0.942	18.162	-0.203	-0.203	0.000	0.000	0.000	0.000
71	G	79	ALA	0	0.004	-0.010	16.969	-0.017	-0.017	0.000	0.000	0.000	0.000
72	G	80	VAL	0	0.049	0.013	18.041	0.018	0.018	0.000	0.000	0.000	0.000
73	G	81	ASN	0	-0.038	-0.023	18.739	-0.021	-0.021	0.000	0.000	0.000	0.000
74	G	82	LEU	0	-0.057	-0.030	12.831	-0.008	-0.008	0.000	0.000	0.000	0.000
75	G	83	LEU	0	0.016	0.025	16.026	0.022	0.022	0.000	0.000	0.000	0.000
76	G	84	SER	0	-0.009	0.004	18.334	0.027	0.027	0.000	0.000	0.000	0.000
77	G	85	SER	0	-0.068	-0.031	13.794	0.015	0.015	0.000	0.000	0.000	0.000
78	G	86	ASN	0	0.047	0.011	16.691	0.049	0.049	0.000	0.000	0.000	0.000
79	G	87	ARG	1	0.864	0.921	10.851	0.302	0.302	0.000	0.000	0.000	0.000
80	G	88	TYR	0	0.104	0.039	10.446	-0.016	-0.016	0.000	0.000	0.000	0.000
81	G	89	THR	0	0.027	0.010	6.366	-0.135	-0.135	0.000	0.000	0.000	0.000
82	G	90	GLU	-1	-0.820	-0.872	9.220	-0.453	-0.453	0.000	0.000	0.000	0.000
83	G	91	LYS	1	0.844	0.925	11.431	-0.029	-0.029	0.000	0.000	0.000	0.000
84	G	92	GLN	0	0.022	0.009	10.067	-0.078	-0.078	0.000	0.000	0.000	0.000
85	G	93	ILE	0	-0.014	-0.006	8.973	-0.024	-0.024	0.000	0.000	0.000	0.000
86	G	94	GLY	0	0.026	0.011	12.484	-0.026	-0.026	0.000	0.000	0.000	0.000
87	G	95	TYR	0	0.014	-0.045	15.807	-0.002	-0.002	0.000	0.000	0.000	0.000
88	G	96	LEU	0	-0.040	0.004	12.619	-0.002	-0.002	0.000	0.000	0.000	0.000
89	G	97	PHE	0	0.004	-0.010	15.778	-0.009	-0.009	0.000	0.000	0.000	0.000
90	G	98	ILE	0	0.006	-0.009	17.243	0.001	0.001	0.000	0.000	0.000	0.000
91	G	99	SER	0	-0.030	-0.033	19.438	0.009	0.009	0.000	0.000	0.000	0.000
92	G	100	VAL	0	-0.050	-0.009	17.887	0.010	0.010	0.000	0.000	0.000	0.000
93	G	101	LEU	0	-0.039	-0.004	19.003	-0.005	-0.005	0.000	0.000	0.000	0.000
94	G	102	VAL	0	0.041	0.023	22.502	-0.010	-0.010	0.000	0.000	0.000	0.000
95	G	103	ASN	0	0.012	-0.011	25.411	-0.001	-0.001	0.000	0.000	0.000	0.000
96	G	104	SER	0	0.066	0.026	27.728	0.003	0.003	0.000	0.000	0.000	0.000
97	G	105	ASN	0	0.001	0.007	29.575	0.006	0.006	0.000	0.000	0.000	0.000
98	G	106	SER	0	0.083	0.022	30.683	-0.001	-0.001	0.000	0.000	0.000	0.000
99	G	107	GLU	-1	-0.858	-0.895	30.018	-0.054	-0.054	0.000	0.000	0.000	0.000
100	G	108	LEU	0	-0.019	-0.017	25.236	0.000	0.000	0.000	0.000	0.000	0.000
101	G	109	ILE	0	0.039	0.033	27.367	0.003	0.003	0.000	0.000	0.000	0.000
102	G	110	ARG	1	0.868	0.922	29.271	0.048	0.048	0.000	0.000	0.000	0.000
103	G	111	LEU	0	-0.017	-0.004	26.094	0.004	0.004	0.000	0.000	0.000	0.000
104	G	112	ILE	0	0.018	0.004	23.613	0.003	0.003	0.000	0.000	0.000	0.000
105	G	113	ASN	0	0.030	-0.002	25.612	0.012	0.012	0.000	0.000	0.000	0.000
106	G	114	ASN	0	-0.063	-0.049	28.301	0.010	0.010	0.000	0.000	0.000	0.000
107	G	115	ALA	0	-0.016	0.002	22.433	0.004	0.004	0.000	0.000	0.000	0.000
108	G	116	ILE	0	0.029	0.016	23.961	0.011	0.011	0.000	0.000	0.000	0.000
109	G	117	LYS	1	0.983	0.990	25.100	0.000	0.000	0.000	0.000	0.000	0.000
110	G	118	ASN	0	-0.021	-0.011	24.952	0.008	0.008	0.000	0.000	0.000	0.000
111	G	119	ASP	-1	-0.793	-0.871	20.751	0.048	0.048	0.000	0.000	0.000	0.000
112	G	120	LEU	0	-0.044	-0.015	23.588	0.016	0.016	0.000	0.000	0.000	0.000
113	G	121	ALA	0	0.002	0.014	26.416	0.004	0.004	0.000	0.000	0.000	0.000
114	G	122	SER	0	-0.072	-0.033	23.285	0.005	0.005	0.000	0.000	0.000	0.000
115	G	123	ARG	1	0.902	0.913	25.331	-0.079	-0.079	0.000	0.000	0.000	0.000
116	G	124	ASN	0	0.002	0.012	18.238	0.032	0.032	0.000	0.000	0.000	0.000
117	G	125	PRO	0	0.078	0.031	21.449	-0.003	-0.003	0.000	0.000	0.000	0.000
118	G	126	THR	0	-0.010	-0.008	15.560	0.001	0.001	0.000	0.000	0.000	0.000
119	G	127	PHE	0	-0.049	-0.028	16.049	0.003	0.003	0.000	0.000	0.000	0.000
120	G	128	MET	0	0.039	0.033	19.813	-0.006	-0.006	0.000	0.000	0.000	0.000
121	G	129	GLY	0	0.024	0.014	20.862	-0.009	-0.009	0.000	0.000	0.000	0.000
122	G	130	LEU	0	-0.054	-0.032	15.107	0.001	0.001	0.000	0.000	0.000	0.000
123	G	131	ALA	0	0.038	0.031	19.347	-0.014	-0.014	0.000	0.000	0.000	0.000
124	G	132	LEU	0	0.025	-0.002	22.632	-0.009	-0.009	0.000	0.000	0.000	0.000
125	G	133	HIS	0	-0.038	-0.022	20.576	0.001	0.001	0.000	0.000	0.000	0.000
126	G	134	CYS	0	-0.066	-0.005	21.271	-0.013	-0.013	0.000	0.000	0.000	0.000
127	G	135	ILE	0	0.036	0.003	22.655	-0.009	-0.009	0.000	0.000	0.000	0.000
128	G	136	ALA	0	-0.017	-0.009	24.859	-0.006	-0.006	0.000	0.000	0.000	0.000
129	G	137	ASN	0	-0.030	-0.015	20.742	-0.002	-0.002	0.000	0.000	0.000	0.000
130	G	138	VAL	0	0.017	0.014	23.643	-0.007	-0.007	0.000	0.000	0.000	0.000
131	G	139	GLY	0	-0.003	0.004	26.187	-0.005	-0.005	0.000	0.000	0.000	0.000
132	G	140	SER	0	-0.017	-0.038	29.393	0.000	0.000	0.000	0.000	0.000	0.000
133	G	141	ARG	1	0.824	0.876	31.381	-0.014	-0.014	0.000	0.000	0.000	0.000
134	G	142	GLU	-1	-0.761	-0.878	32.192	0.003	0.003	0.000	0.000	0.000	0.000
135	G	143	MET	0	-0.053	-0.005	25.379	0.004	0.004	0.000	0.000	0.000	0.000
136	G	144	ALA	0	0.023	0.006	31.320	0.004	0.004	0.000	0.000	0.000	0.000
137	G	145	GLU	-1	-0.863	-0.931	34.153	0.011	0.011	0.000	0.000	0.000	0.000
138	G	146	ALA	0	-0.063	-0.009	32.302	-0.001	-0.001	0.000	0.000	0.000	0.000
139	G	147	PHE	0	-0.023	-0.029	29.262	0.003	0.003	0.000	0.000	0.000	0.000
140	G	148	ALA	0	-0.002	0.008	33.207	0.006	0.006	0.000	0.000	0.000	0.000
141	G	149	GLY	0	0.040	0.024	35.692	0.002	0.002	0.000	0.000	0.000	0.000
142	G	150	GLU	-1	-0.891	-0.941	32.541	0.044	0.044	0.000	0.000	0.000	0.000
143	G	151	ILE	0	0.008	-0.007	29.705	0.005	0.005	0.000	0.000	0.000	0.000
144	G	152	PRO	0	0.025	0.010	32.759	0.007	0.007	0.000	0.000	0.000	0.000
145	G	153	LYS	1	0.841	0.914	35.690	-0.040	-0.040	0.000	0.000	0.000	0.000
146	G	154	ILE	0	0.009	0.004	29.111	0.004	0.004	0.000	0.000	0.000	0.000
147	G	155	LEU	0	-0.044	-0.007	32.479	0.007	0.007	0.000	0.000	0.000	0.000
148	G	156	VAL	0	-0.040	-0.014	33.534	0.003	0.003	0.000	0.000	0.000	0.000
149	G	157	ALA	0	-0.012	0.015	33.914	-0.004	-0.004	0.000	0.000	0.000	0.000
150	G	158	GLY	0	0.011	-0.001	34.315	0.006	0.006	0.000	0.000	0.000	0.000
151	G	159	ASP	-1	-0.842	-0.901	32.712	0.087	0.087	0.000	0.000	0.000	0.000
152	G	160	THR	0	-0.038	-0.031	29.132	0.006	0.006	0.000	0.000	0.000	0.000
153	G	161	MET	0	0.038	0.012	24.591	0.001	0.001	0.000	0.000	0.000	0.000
154	G	162	ASP	-1	-0.765	-0.876	27.443	0.155	0.155	0.000	0.000	0.000	0.000
155	G	163	SER	0	0.000	0.001	22.521	-0.011	-0.011	0.000	0.000	0.000	0.000
156	G	164	VAL	0	0.013	0.014	24.240	-0.001	-0.001	0.000	0.000	0.000	0.000
157	G	165	LYS	1	0.889	0.939	26.238	-0.136	-0.136	0.000	0.000	0.000	0.000
158	G	166	GLN	0	-0.042	-0.019	26.342	0.003	0.003	0.000	0.000	0.000	0.000
159	G	167	SER	0	-0.017	-0.024	24.131	-0.002	-0.002	0.000	0.000	0.000	0.000
160	G	168	ALA	0	0.024	0.015	26.391	-0.009	-0.009	0.000	0.000	0.000	0.000
161	G	169	ALA	0	0.024	0.018	29.467	-0.009	-0.009	0.000	0.000	0.000	0.000
162	G	170	LEU	0	-0.008	-0.015	26.812	-0.007	-0.007	0.000	0.000	0.000	0.000
163	G	171	CYS	0	-0.056	-0.014	27.333	-0.010	-0.010	0.000	0.000	0.000	0.000
164	G	172	LEU	0	0.044	0.019	29.263	-0.008	-0.008	0.000	0.000	0.000	0.000
165	G	173	LEU	0	-0.044	-0.016	32.186	-0.006	-0.006	0.000	0.000	0.000	0.000
166	G	174	ARG	1	0.780	0.895	28.052	-0.062	-0.062	0.000	0.000	0.000	0.000
167	G	175	LEU	0	0.015	0.003	31.475	-0.007	-0.007	0.000	0.000	0.000	0.000
168	G	176	TYR	0	0.003	-0.003	33.980	-0.007	-0.007	0.000	0.000	0.000	0.000
169	G	177	ARG	1	0.880	0.923	34.173	-0.076	-0.076	0.000	0.000	0.000	0.000
170	G	178	THR	0	-0.019	0.003	33.555	-0.001	-0.001	0.000	0.000	0.000	0.000
171	G	179	SER	0	-0.014	-0.014	36.067	-0.007	-0.007	0.000	0.000	0.000	0.000
172	G	180	PRO	0	0.006	0.012	38.520	0.000	0.000	0.000	0.000	0.000	0.000
173	G	181	ASP	-1	-0.844	-0.894	40.865	0.024	0.024	0.000	0.000	0.000	0.000
174	G	182	LEU	0	-0.010	-0.004	37.733	-0.001	-0.001	0.000	0.000	0.000	0.000
175	G	183	VAL	0	-0.052	-0.020	37.244	0.002	0.002	0.000	0.000	0.000	0.000
176	G	184	PRO	0	-0.008	0.016	40.010	0.000	0.000	0.000	0.000	0.000	0.000
177	G	185	MET	0	0.008	-0.010	41.803	0.004	0.004	0.000	0.000	0.000	0.000
178	G	186	GLY	0	0.053	0.022	44.459	-0.003	-0.003	0.000	0.000	0.000	0.000
179	G	187	ASP	-1	-0.880	-0.935	44.275	0.043	0.043	0.000	0.000	0.000	0.000
180	G	188	TRP	0	-0.057	-0.046	39.329	0.006	0.006	0.000	0.000	0.000	0.000
181	G	189	THR	0	-0.015	-0.037	40.953	0.005	0.005	0.000	0.000	0.000	0.000
182	G	190	SER	0	0.058	0.019	42.894	0.003	0.003	0.000	0.000	0.000	0.000
183	G	191	ARG	1	0.884	0.946	40.228	-0.055	-0.055	0.000	0.000	0.000	0.000
184	G	192	VAL	0	0.030	0.003	37.263	0.005	0.005	0.000	0.000	0.000	0.000
185	G	193	VAL	0	0.008	0.016	39.335	0.005	0.005	0.000	0.000	0.000	0.000
186	G	194	HIS	0	0.024	0.002	41.606	0.005	0.005	0.000	0.000	0.000	0.000
187	G	195	LEU	0	-0.015	-0.001	34.847	0.004	0.004	0.000	0.000	0.000	0.000
188	G	196	LEU	0	-0.019	-0.009	36.906	0.007	0.007	0.000	0.000	0.000	0.000
189	G	197	ASN	0	-0.018	-0.027	39.206	0.003	0.003	0.000	0.000	0.000	0.000
190	G	198	ASP	-1	-0.861	-0.913	34.060	0.126	0.126	0.000	0.000	0.000	0.000
191	G	199	GLN	0	0.020	0.009	34.689	0.005	0.005	0.000	0.000	0.000	0.000
192	G	200	HIS	0	0.012	0.008	26.602	-0.003	-0.003	0.000	0.000	0.000	0.000
193	G	201	LEU	0	0.046	0.013	32.145	-0.005	-0.005	0.000	0.000	0.000	0.000
194	G	202	GLY	0	0.027	0.030	28.829	-0.004	-0.004	0.000	0.000	0.000	0.000
195	G	203	VAL	0	-0.001	-0.011	29.833	-0.004	-0.004	0.000	0.000	0.000	0.000
196	G	204	VAL	0	0.014	0.033	31.573	-0.007	-0.007	0.000	0.000	0.000	0.000
197	G	205	THR	0	-0.026	-0.018	30.994	-0.009	-0.009	0.000	0.000	0.000	0.000
198	G	206	ALA	0	-0.036	-0.018	29.780	-0.005	-0.005	0.000	0.000	0.000	0.000
199	G	207	ALA	0	0.045	0.017	31.763	-0.008	-0.008	0.000	0.000	0.000	0.000
200	G	208	THR	0	0.023	-0.010	35.162	-0.008	-0.008	0.000	0.000	0.000	0.000
201	G	209	SER	0	-0.042	-0.001	33.218	-0.005	-0.005	0.000	0.000	0.000	0.000
202	G	210	LEU	0	-0.007	0.013	34.770	-0.006	-0.006	0.000	0.000	0.000	0.000
203	G	211	ILE	0	0.020	0.008	36.439	-0.006	-0.006	0.000	0.000	0.000	0.000
204	G	212	THR	0	0.002	-0.014	38.903	-0.005	-0.005	0.000	0.000	0.000	0.000
205	G	213	THR	0	-0.005	-0.011	37.435	-0.004	-0.004	0.000	0.000	0.000	0.000
206	G	214	LEU	0	-0.045	-0.014	39.295	-0.004	-0.004	0.000	0.000	0.000	0.000
207	G	215	ALA	0	0.043	0.020	42.023	-0.004	-0.004	0.000	0.000	0.000	0.000
208	G	216	GLN	0	-0.007	-0.002	42.668	-0.001	-0.001	0.000	0.000	0.000	0.000
209	G	217	LYS	1	0.897	0.959	43.447	-0.042	-0.042	0.000	0.000	0.000	0.000
210	G	218	ASN	0	-0.010	-0.009	46.338	-0.004	-0.004	0.000	0.000	0.000	0.000
211	G	219	PRO	0	0.092	0.055	47.666	0.002	0.002	0.000	0.000	0.000	0.000
212	G	220	GLU	-1	-0.811	-0.906	48.947	0.042	0.042	0.000	0.000	0.000	0.000
213	G	221	GLU	-1	-0.882	-0.901	46.562	0.044	0.044	0.000	0.000	0.000	0.000
214	G	222	PHE	0	-0.018	-0.019	42.886	0.003	0.003	0.000	0.000	0.000	0.000
215	G	223	LYS	1	0.850	0.935	46.764	-0.037	-0.037	0.000	0.000	0.000	0.000
216	G	224	THR	0	0.015	0.005	47.625	0.001	0.001	0.000	0.000	0.000	0.000
217	G	225	SER	0	-0.028	-0.028	43.574	0.003	0.003	0.000	0.000	0.000	0.000
218	G	226	VAL	0	0.042	0.031	45.196	0.004	0.004	0.000	0.000	0.000	0.000
219	G	227	SER	0	-0.036	-0.029	47.550	0.002	0.002	0.000	0.000	0.000	0.000
220	G	228	LEU	0	-0.019	-0.007	43.423	0.002	0.002	0.000	0.000	0.000	0.000
221	G	229	ALA	0	0.021	0.006	42.757	0.004	0.004	0.000	0.000	0.000	0.000
222	G	230	VAL	0	0.037	0.023	43.801	0.004	0.004	0.000	0.000	0.000	0.000
223	G	231	SER	0	-0.028	0.011	45.456	0.002	0.002	0.000	0.000	0.000	0.000
224	G	232	ARG	1	0.768	0.869	37.567	-0.104	-0.104	0.000	0.000	0.000	0.000
225	G	233	LEU	0	0.045	0.023	41.619	0.004	0.004	0.000	0.000	0.000	0.000
226	G	234	SER	0	0.007	-0.011	42.907	0.002	0.002	0.000	0.000	0.000	0.000
227	G	235	ARG	1	0.912	0.958	41.964	-0.093	-0.093	0.000	0.000	0.000	0.000
228	G	236	ILE	0	-0.012	-0.006	38.179	0.004	0.004	0.000	0.000	0.000	0.000
229	G	237	VAL	0	0.010	-0.009	41.024	0.003	0.003	0.000	0.000	0.000	0.000
230	G	238	THR	0	-0.046	-0.029	43.132	-0.001	-0.001	0.000	0.000	0.000	0.000
231	G	239	SER	0	-0.101	-0.058	41.368	0.002	0.002	0.000	0.000	0.000	0.000
232	G	240	ALA	0	0.040	0.034	42.367	0.002	0.002	0.000	0.000	0.000	0.000
233	G	241	SER	0	-0.070	-0.055	39.098	-0.004	-0.004	0.000	0.000	0.000	0.000
234	G	242	THR	0	-0.005	-0.023	39.216	0.001	0.001	0.000	0.000	0.000	0.000
235	G	243	ASP	-1	-0.755	-0.841	35.604	0.119	0.119	0.000	0.000	0.000	0.000
236	G	244	LEU	0	0.007	0.007	34.255	0.009	0.009	0.000	0.000	0.000	0.000
237	G	245	GLN	0	-0.022	0.013	31.469	-0.003	-0.003	0.000	0.000	0.000	0.000
238	G	246	ASP	-1	-0.890	-0.948	28.438	0.214	0.214	0.000	0.000	0.000	0.000
239	G	247	TYR	0	-0.013	-0.010	28.866	0.013	0.013	0.000	0.000	0.000	0.000
240	G	248	THR	0	-0.057	-0.035	31.295	-0.013	-0.013	0.000	0.000	0.000	0.000
241	G	249	TYR	0	0.029	0.017	28.277	0.003	0.003	0.000	0.000	0.000	0.000
242	G	250	TYR	0	-0.002	-0.016	28.805	-0.013	-0.013	0.000	0.000	0.000	0.000
243	G	251	PHE	0	0.019	0.007	33.724	-0.010	-0.010	0.000	0.000	0.000	0.000
244	G	252	VAL	0	-0.012	0.003	35.827	-0.010	-0.010	0.000	0.000	0.000	0.000
245	G	253	PRO	0	0.019	0.016	35.469	0.010	0.010	0.000	0.000	0.000	0.000
246	G	254	ALA	0	0.069	0.029	33.698	-0.005	-0.005	0.000	0.000	0.000	0.000
247	G	255	PRO	0	-0.007	0.011	33.347	-0.006	-0.006	0.000	0.000	0.000	0.000
248	G	256	TRP	0	0.046	-0.002	29.500	-0.003	-0.003	0.000	0.000	0.000	0.000
249	G	257	LEU	0	-0.013	0.008	34.123	-0.005	-0.005	0.000	0.000	0.000	0.000
250	G	258	SER	0	0.017	-0.006	35.508	-0.008	-0.008	0.000	0.000	0.000	0.000
251	G	259	VAL	0	0.009	0.009	36.931	-0.005	-0.005	0.000	0.000	0.000	0.000
252	G	260	LYS	1	0.862	0.932	32.831	-0.119	-0.119	0.000	0.000	0.000	0.000
253	G	261	LEU	0	-0.013	-0.007	37.879	-0.005	-0.005	0.000	0.000	0.000	0.000
254	G	262	LEU	0	0.000	0.003	40.688	-0.005	-0.005	0.000	0.000	0.000	0.000
255	G	263	ARG	1	0.910	0.944	39.956	-0.068	-0.068	0.000	0.000	0.000	0.000
256	G	264	LEU	0	-0.020	-0.010	41.001	-0.003	-0.003	0.000	0.000	0.000	0.000
257	G	265	LEU	0	-0.040	-0.030	42.688	-0.004	-0.004	0.000	0.000	0.000	0.000
258	G	266	GLN	0	0.000	-0.008	44.055	-0.003	-0.003	0.000	0.000	0.000	0.000
259	G	267	CYS	0	-0.147	-0.046	43.677	-0.002	-0.002	0.000	0.000	0.000	0.000
260	G	268	TYR	0	-0.047	-0.040	46.061	-0.001	-0.001	0.000	0.000	0.000	0.000
261	G	269	PRO	0	0.079	0.053	50.230	0.001	0.001	0.000	0.000	0.000	0.000
262	G	270	PRO	0	0.032	0.005	52.601	0.002	0.002	0.000	0.000	0.000	0.000
263	G	271	PRO	0	-0.068	-0.039	51.354	-0.001	-0.001	0.000	0.000	0.000	0.000
264	G	272	GLU	-1	-0.817	-0.891	53.920	0.041	0.041	0.000	0.000	0.000	0.000
265	G	273	ASP	-1	-0.813	-0.895	54.921	0.047	0.047	0.000	0.000	0.000	0.000
266	G	274	PRO	0	0.018	-0.003	56.147	0.002	0.002	0.000	0.000	0.000	0.000
267	G	275	ALA	0	-0.003	0.007	56.492	0.001	0.001	0.000	0.000	0.000	0.000
268	G	276	VAL	0	-0.049	-0.044	50.668	0.003	0.003	0.000	0.000	0.000	0.000
269	G	277	ARG	1	0.910	0.952	52.563	-0.041	-0.041	0.000	0.000	0.000	0.000
270	G	278	GLY	0	0.029	0.017	54.411	0.001	0.001	0.000	0.000	0.000	0.000
271	G	279	ARG	1	0.967	0.991	50.022	-0.058	-0.058	0.000	0.000	0.000	0.000
272	G	280	LEU	0	-0.016	-0.008	48.374	0.003	0.003	0.000	0.000	0.000	0.000
273	G	281	THR	0	0.047	0.016	50.918	0.002	0.002	0.000	0.000	0.000	0.000
274	G	282	GLU	-1	-0.896	-0.946	52.815	0.057	0.057	0.000	0.000	0.000	0.000
275	G	283	CYS	0	-0.097	-0.019	46.542	0.003	0.003	0.000	0.000	0.000	0.000
276	G	284	LEU	0	0.038	0.005	47.851	0.003	0.003	0.000	0.000	0.000	0.000
277	G	285	GLU	-1	-0.785	-0.876	49.906	0.054	0.054	0.000	0.000	0.000	0.000
278	G	286	THR	0	-0.064	-0.032	47.410	0.001	0.001	0.000	0.000	0.000	0.000
279	G	287	ILE	0	-0.037	-0.022	44.801	0.003	0.003	0.000	0.000	0.000	0.000
280	G	288	LEU	0	0.021	0.009	47.284	0.002	0.002	0.000	0.000	0.000	0.000
281	G	289	ASN	0	-0.005	-0.001	50.148	-0.002	-0.002	0.000	0.000	0.000	0.000
282	G	290	LYS	1	0.822	0.884	44.709	-0.079	-0.079	0.000	0.000	0.000	0.000
283	G	291	ALA	0	-0.033	0.002	46.332	0.003	0.003	0.000	0.000	0.000	0.000
284	G	292	GLN	0	0.059	0.033	47.408	0.000	0.000	0.000	0.000	0.000	0.000
285	G	293	GLU	-1	-0.829	-0.877	47.674	0.076	0.076	0.000	0.000	0.000	0.000
286	G	294	PRO	0	-0.005	-0.005	47.212	0.002	0.002	0.000	0.000	0.000	0.000
287	G	295	PRO	0	-0.033	-0.028	42.215	0.004	0.004	0.000	0.000	0.000	0.000
288	G	296	LYS	1	0.947	0.981	40.387	-0.108	-0.108	0.000	0.000	0.000	0.000
289	G	297	SER	0	-0.034	-0.019	36.305	0.003	0.003	0.000	0.000	0.000	0.000
290	G	298	LYS	1	0.993	0.984	39.555	-0.090	-0.090	0.000	0.000	0.000	0.000
291	G	299	LYS	1	0.929	0.983	31.722	-0.155	-0.155	0.000	0.000	0.000	0.000
292	G	300	VAL	0	0.087	0.040	34.003	-0.001	-0.001	0.000	0.000	0.000	0.000
293	G	301	GLN	0	0.050	0.022	30.292	-0.009	-0.009	0.000	0.000	0.000	0.000
294	G	302	HIS	0	-0.003	-0.010	33.917	-0.005	-0.005	0.000	0.000	0.000	0.000
295	G	303	SER	0	-0.047	-0.021	36.760	-0.004	-0.004	0.000	0.000	0.000	0.000
296	G	304	ASN	0	-0.022	-0.027	35.546	-0.005	-0.005	0.000	0.000	0.000	0.000
297	G	305	ALA	0	-0.007	-0.001	34.391	-0.001	-0.001	0.000	0.000	0.000	0.000
298	G	306	LYS	1	0.829	0.911	36.270	-0.085	-0.085	0.000	0.000	0.000	0.000
299	G	307	ASN	0	0.021	-0.007	39.931	-0.005	-0.005	0.000	0.000	0.000	0.000
300	G	308	ALA	0	0.011	0.016	37.294	-0.004	-0.004	0.000	0.000	0.000	0.000
301	G	309	VAL	0	-0.019	-0.014	38.725	-0.003	-0.003	0.000	0.000	0.000	0.000
302	G	310	LEU	0	0.001	0.011	40.832	-0.004	-0.004	0.000	0.000	0.000	0.000
303	G	311	PHE	0	0.015	0.002	42.291	-0.003	-0.003	0.000	0.000	0.000	0.000
304	G	312	GLU	-1	-0.842	-0.907	40.697	0.073	0.073	0.000	0.000	0.000	0.000
305	G	313	ALA	0	-0.017	-0.007	43.276	-0.003	-0.003	0.000	0.000	0.000	0.000
306	G	314	ILE	0	0.002	-0.011	46.044	-0.003	-0.003	0.000	0.000	0.000	0.000
307	G	315	SER	0	-0.013	0.007	44.765	-0.004	-0.004	0.000	0.000	0.000	0.000
308	G	316	LEU	0	-0.026	-0.023	46.452	-0.002	-0.002	0.000	0.000	0.000	0.000
309	G	317	ILE	0	-0.055	-0.025	48.259	-0.002	-0.002	0.000	0.000	0.000	0.000
310	G	318	ILE	0	-0.018	-0.017	49.981	-0.002	-0.002	0.000	0.000	0.000	0.000
311	G	319	HIS	0	-0.066	-0.029	49.540	-0.002	-0.002	0.000	0.000	0.000	0.000
312	G	320	HIS	0	-0.016	-0.018	50.516	-0.003	-0.003	0.000	0.000	0.000	0.000
313	G	321	ASP	-1	-0.816	-0.876	53.863	0.038	0.038	0.000	0.000	0.000	0.000
314	G	322	SER	0	-0.028	-0.035	56.603	-0.001	-0.001	0.000	0.000	0.000	0.000
315	G	323	GLU	-1	-0.869	-0.904	55.943	0.044	0.044	0.000	0.000	0.000	0.000
316	G	324	PRO	0	0.034	0.008	57.864	0.001	0.001	0.000	0.000	0.000	0.000
317	G	325	ASN	0	-0.041	-0.039	57.848	-0.001	-0.001	0.000	0.000	0.000	0.000
318	G	326	LEU	0	0.003	-0.001	52.882	0.001	0.001	0.000	0.000	0.000	0.000
319	G	327	LEU	0	0.025	0.034	54.626	0.002	0.002	0.000	0.000	0.000	0.000
320	G	328	VAL	0	0.011	0.008	56.372	0.000	0.000	0.000	0.000	0.000	0.000
321	G	329	ARG	1	0.835	0.907	53.874	-0.054	-0.054	0.000	0.000	0.000	0.000
322	G	330	ALA	0	0.023	0.013	52.103	0.002	0.002	0.000	0.000	0.000	0.000
323	G	331	CYS	0	0.016	0.026	52.918	0.001	0.001	0.000	0.000	0.000	0.000
324	G	332	ASN	0	-0.028	-0.017	55.349	0.000	0.000	0.000	0.000	0.000	0.000
325	G	333	GLN	0	-0.032	-0.021	49.239	0.001	0.001	0.000	0.000	0.000	0.000
326	G	334	LEU	0	0.001	-0.006	48.783	0.002	0.002	0.000	0.000	0.000	0.000
327	G	335	GLY	0	0.058	0.026	51.268	0.000	0.000	0.000	0.000	0.000	0.000
328	G	336	GLN	0	-0.058	-0.028	51.483	0.002	0.002	0.000	0.000	0.000	0.000
329	G	337	PHE	0	-0.050	-0.030	45.353	0.002	0.002	0.000	0.000	0.000	0.000
330	G	338	LEU	0	0.019	0.019	48.822	0.001	0.001	0.000	0.000	0.000	0.000
331	G	339	GLN	0	-0.013	-0.005	51.393	-0.002	-0.002	0.000	0.000	0.000	0.000
332	G	340	HIS	0	0.000	0.021	43.468	0.000	0.000	0.000	0.000	0.000	0.000
333	G	341	ARG	1	0.984	0.978	44.814	-0.071	-0.071	0.000	0.000	0.000	0.000
334	G	342	GLU	-1	-0.844	-0.916	39.429	0.092	0.092	0.000	0.000	0.000	0.000
335	G	343	THR	0	0.057	0.015	42.206	-0.001	-0.001	0.000	0.000	0.000	0.000
336	G	344	ASN	0	-0.019	-0.005	37.912	-0.004	-0.004	0.000	0.000	0.000	0.000
337	G	345	LEU	0	-0.001	0.002	41.098	-0.001	-0.001	0.000	0.000	0.000	0.000
338	G	346	ARG	1	0.841	0.911	43.934	-0.059	-0.059	0.000	0.000	0.000	0.000
339	G	347	TYR	0	-0.007	0.005	41.874	-0.003	-0.003	0.000	0.000	0.000	0.000
340	G	348	LEU	0	0.025	0.015	40.416	-0.002	-0.002	0.000	0.000	0.000	0.000
341	G	349	ALA	0	-0.023	0.004	44.949	-0.001	-0.001	0.000	0.000	0.000	0.000
342	G	350	LEU	0	0.014	0.009	48.374	-0.002	-0.002	0.000	0.000	0.000	0.000
343	G	351	GLU	-1	-0.818	-0.889	44.179	0.056	0.056	0.000	0.000	0.000	0.000
344	G	352	SER	0	-0.008	-0.023	46.942	-0.001	-0.001	0.000	0.000	0.000	0.000
345	G	353	MET	0	-0.023	-0.004	49.189	-0.002	-0.002	0.000	0.000	0.000	0.000
346	G	354	CYS	0	-0.006	-0.002	51.556	-0.002	-0.002	0.000	0.000	0.000	0.000
347	G	355	THR	0	-0.029	-0.001	49.935	-0.002	-0.002	0.000	0.000	0.000	0.000
348	G	356	LEU	0	-0.007	-0.008	52.480	-0.001	-0.001	0.000	0.000	0.000	0.000
349	G	357	ALA	0	0.003	0.000	54.551	-0.001	-0.001	0.000	0.000	0.000	0.000
350	G	358	SER	0	-0.027	-0.012	55.269	-0.002	-0.002	0.000	0.000	0.000	0.000
351	G	359	SER	0	-0.043	-0.021	57.313	-0.001	-0.001	0.000	0.000	0.000	0.000
352	G	360	GLU	-1	-0.917	-0.972	58.922	0.030	0.030	0.000	0.000	0.000	0.000
353	G	361	PHE	0	-0.043	-0.017	60.488	-0.001	-0.001	0.000	0.000	0.000	0.000
354	G	362	SER	0	-0.006	-0.029	58.225	0.001	0.001	0.000	0.000	0.000	0.000
355	G	363	HIS	0	-0.046	-0.011	60.260	0.000	0.000	0.000	0.000	0.000	0.000
356	G	364	GLU	-1	-0.774	-0.885	61.588	0.030	0.030	0.000	0.000	0.000	0.000
357	G	365	ALA	0	0.012	0.013	60.500	0.000	0.000	0.000	0.000	0.000	0.000
358	G	366	VAL	0	-0.026	-0.024	56.898	0.001	0.001	0.000	0.000	0.000	0.000
359	G	367	LYS	1	0.861	0.901	59.455	-0.029	-0.029	0.000	0.000	0.000	0.000
360	G	368	THR	0	-0.063	-0.030	61.245	-0.001	-0.001	0.000	0.000	0.000	0.000
361	G	369	HIS	0	-0.044	-0.031	57.384	0.000	0.000	0.000	0.000	0.000	0.000
362	G	370	ILE	0	0.034	0.017	59.062	0.001	0.001	0.000	0.000	0.000	0.000
363	G	371	GLU	-1	-0.879	-0.944	60.633	0.031	0.031	0.000	0.000	0.000	0.000
364	G	372	THR	0	-0.040	-0.013	55.854	0.000	0.000	0.000	0.000	0.000	0.000
365	G	373	VAL	0	0.022	0.013	55.304	0.001	0.001	0.000	0.000	0.000	0.000
366	G	374	ILE	0	0.025	0.020	56.640	0.000	0.000	0.000	0.000	0.000	0.000
367	G	375	ASN	0	-0.060	-0.046	58.668	-0.001	-0.001	0.000	0.000	0.000	0.000
368	G	376	ALA	0	0.035	0.025	53.132	0.000	0.000	0.000	0.000	0.000	0.000
369	G	377	LEU	0	0.000	-0.001	54.252	0.000	0.000	0.000	0.000	0.000	0.000
370	G	378	LYS	1	0.852	0.931	55.232	-0.033	-0.033	0.000	0.000	0.000	0.000
371	G	379	THR	0	-0.058	-0.036	53.633	-0.001	-0.001	0.000	0.000	0.000	0.000
372	G	380	GLU	-1	-0.806	-0.867	48.029	0.052	0.052	0.000	0.000	0.000	0.000
373	G	381	ARG	1	0.937	0.964	46.981	-0.044	-0.044	0.000	0.000	0.000	0.000
374	G	382	ASP	-1	-0.795	-0.880	44.400	0.049	0.049	0.000	0.000	0.000	0.000
375	G	383	VAL	0	-0.012	-0.010	46.203	-0.002	-0.002	0.000	0.000	0.000	0.000
376	G	384	SER	0	-0.049	-0.045	44.143	0.000	0.000	0.000	0.000	0.000	0.000
377	G	385	VAL	0	0.006	-0.013	45.249	0.000	0.000	0.000	0.000	0.000	0.000
378	G	386	ARG	1	0.853	0.922	47.747	-0.038	-0.038	0.000	0.000	0.000	0.000
379	G	387	GLN	0	-0.063	-0.033	49.009	-0.002	-0.002	0.000	0.000	0.000	0.000
380	G	388	ARG	1	0.877	0.910	43.397	-0.054	-0.054	0.000	0.000	0.000	0.000
381	G	389	ALA	0	-0.013	-0.002	50.280	0.000	0.000	0.000	0.000	0.000	0.000
382	G	390	VAL	0	-0.027	-0.016	53.327	-0.001	-0.001	0.000	0.000	0.000	0.000
383	G	391	ASP	-1	-0.845	-0.919	50.852	0.037	0.037	0.000	0.000	0.000	0.000
384	G	392	LEU	0	-0.009	-0.011	53.415	-0.001	-0.001	0.000	0.000	0.000	0.000
385	G	393	LEU	0	-0.036	-0.022	55.347	-0.001	-0.001	0.000	0.000	0.000	0.000
386	G	394	TYR	0	-0.045	-0.028	56.724	-0.002	-0.002	0.000	0.000	0.000	0.000
387	G	395	ALA	0	-0.011	0.008	56.386	-0.001	-0.001	0.000	0.000	0.000	0.000
388	G	396	MET	0	-0.043	0.000	58.143	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(G:9:GLY)