FMO DATABASE

FMODB ID: LZ719

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:

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	388
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-5964198.529303
FMO2-HF: Nuclear repulsion	5811404.174637
FMO2-HF: Total energy	-152794.354666
FMO2-MP2: Total energy	-153237.162154

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.
5.058	6.944	-0.018	-1.034	-0.835	0.004

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 : 0.090 / q_NPA : 0.051

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	1.037	1.021	3.800	1.471	3.357	-0.018	-1.034	-0.835	0.004
4	G	12	GLY	0	0.027	0.012	6.272	0.657	0.657	0.000	0.000	0.000	0.000
5	G	13	LEU	0	0.039	0.013	6.370	0.272	0.272	0.000	0.000	0.000	0.000
6	G	14	ALA	0	0.022	0.017	5.784	0.297	0.297	0.000	0.000	0.000	0.000
7	G	15	VAL	0	-0.008	-0.019	7.769	0.200	0.200	0.000	0.000	0.000	0.000
8	G	16	PHE	0	-0.018	-0.007	10.766	0.116	0.116	0.000	0.000	0.000	0.000
9	G	17	ILE	0	0.050	0.016	8.746	0.085	0.085	0.000	0.000	0.000	0.000
10	G	18	SER	0	0.000	-0.008	11.933	0.088	0.088	0.000	0.000	0.000	0.000
11	G	19	ASP	-1	-0.848	-0.904	13.723	-0.343	-0.343	0.000	0.000	0.000	0.000
12	G	20	ILE	0	-0.016	-0.011	15.731	0.034	0.034	0.000	0.000	0.000	0.000
13	G	21	ARG	1	0.944	0.975	14.162	0.012	0.012	0.000	0.000	0.000	0.000
14	G	22	ASN	0	-0.045	-0.017	17.831	0.039	0.039	0.000	0.000	0.000	0.000
15	G	23	CYS	0	-0.092	-0.032	19.840	-0.002	-0.002	0.000	0.000	0.000	0.000
16	G	24	LYS	1	0.960	0.979	22.279	0.116	0.116	0.000	0.000	0.000	0.000
17	G	25	SER	0	-0.012	-0.024	25.699	0.008	0.008	0.000	0.000	0.000	0.000
18	G	26	LYS	1	1.066	1.028	25.584	0.004	0.004	0.000	0.000	0.000	0.000
19	G	27	GLU	-1	-0.806	-0.897	26.370	-0.065	-0.065	0.000	0.000	0.000	0.000
20	G	28	ALA	0	-0.064	-0.030	25.075	-0.011	-0.011	0.000	0.000	0.000	0.000
21	G	29	GLU	-1	-0.842	-0.920	20.855	-0.078	-0.078	0.000	0.000	0.000	0.000
22	G	30	ILE	0	0.076	0.042	22.428	-0.018	-0.018	0.000	0.000	0.000	0.000
23	G	31	LYS	1	0.918	0.962	24.440	0.086	0.086	0.000	0.000	0.000	0.000
24	G	32	ARG	1	0.732	0.853	15.904	0.339	0.339	0.000	0.000	0.000	0.000
25	G	33	ILE	0	0.051	0.015	19.160	-0.040	-0.040	0.000	0.000	0.000	0.000
26	G	34	ASN	0	0.043	0.018	20.838	-0.017	-0.017	0.000	0.000	0.000	0.000
27	G	35	LYS	1	0.938	0.977	21.755	0.195	0.195	0.000	0.000	0.000	0.000
28	G	36	GLU	-1	-0.798	-0.887	15.882	-0.513	-0.513	0.000	0.000	0.000	0.000
29	G	37	LEU	0	0.029	0.015	19.045	-0.023	-0.023	0.000	0.000	0.000	0.000
30	G	38	ALA	0	0.010	0.000	20.977	-0.005	-0.005	0.000	0.000	0.000	0.000
31	G	39	ASN	0	-0.023	-0.009	17.028	0.007	0.007	0.000	0.000	0.000	0.000
32	G	40	ILE	0	-0.017	-0.006	15.590	-0.025	-0.025	0.000	0.000	0.000	0.000
33	G	41	ARG	1	0.828	0.887	19.127	0.137	0.137	0.000	0.000	0.000	0.000
34	G	42	SER	0	-0.048	-0.033	22.477	0.016	0.016	0.000	0.000	0.000	0.000
35	G	43	LYS	1	0.855	0.926	18.037	0.387	0.387	0.000	0.000	0.000	0.000
36	G	44	PHE	0	-0.018	-0.018	16.310	-0.014	-0.014	0.000	0.000	0.000	0.000
37	G	45	LYS	1	0.956	0.983	21.168	0.159	0.159	0.000	0.000	0.000	0.000
38	G	46	GLY	0	-0.020	-0.008	23.133	0.010	0.010	0.000	0.000	0.000	0.000
39	G	47	ASP	-1	-0.793	-0.860	24.134	-0.236	-0.236	0.000	0.000	0.000	0.000
40	G	48	LYS	1	0.820	0.895	21.968	0.262	0.262	0.000	0.000	0.000	0.000
41	G	49	ALA	0	0.047	0.026	21.303	-0.013	-0.013	0.000	0.000	0.000	0.000
42	G	50	LEU	0	-0.034	-0.022	15.463	-0.040	-0.040	0.000	0.000	0.000	0.000
43	G	51	ASP	-1	-0.787	-0.869	12.523	-0.756	-0.756	0.000	0.000	0.000	0.000
44	G	52	GLY	0	0.045	0.002	13.183	-0.019	-0.019	0.000	0.000	0.000	0.000
45	G	53	TYR	0	0.014	-0.004	5.033	0.305	0.305	0.000	0.000	0.000	0.000
46	G	54	SER	0	-0.061	-0.073	9.330	-0.184	-0.184	0.000	0.000	0.000	0.000
47	G	55	LYS	1	0.932	0.982	11.566	0.281	0.281	0.000	0.000	0.000	0.000
48	G	56	LYS	1	0.939	0.978	5.997	0.645	0.645	0.000	0.000	0.000	0.000
49	G	57	LYS	1	0.913	0.965	7.931	1.247	1.247	0.000	0.000	0.000	0.000
50	G	58	TYR	0	-0.030	-0.040	9.310	-0.007	-0.007	0.000	0.000	0.000	0.000
51	G	59	VAL	0	0.086	0.046	12.938	0.051	0.051	0.000	0.000	0.000	0.000
52	G	60	CYS	0	-0.046	-0.013	9.248	0.098	0.098	0.000	0.000	0.000	0.000
53	G	61	LYS	1	0.788	0.902	11.527	0.680	0.680	0.000	0.000	0.000	0.000
54	G	62	LEU	0	0.026	0.018	13.036	0.039	0.039	0.000	0.000	0.000	0.000
55	G	63	LEU	0	0.036	0.027	13.377	0.028	0.028	0.000	0.000	0.000	0.000
56	G	64	PHE	0	-0.039	-0.023	12.816	0.021	0.021	0.000	0.000	0.000	0.000
57	G	65	ILE	0	0.000	-0.011	14.903	0.009	0.009	0.000	0.000	0.000	0.000
58	G	66	PHE	0	0.074	0.032	18.116	0.013	0.013	0.000	0.000	0.000	0.000
59	G	67	LEU	0	-0.048	-0.028	15.216	0.018	0.018	0.000	0.000	0.000	0.000
60	G	68	LEU	0	-0.077	-0.035	17.082	0.007	0.007	0.000	0.000	0.000	0.000
61	G	69	GLY	0	-0.008	0.013	20.207	-0.001	-0.001	0.000	0.000	0.000	0.000
62	G	70	HIS	0	-0.107	-0.056	21.670	-0.011	-0.011	0.000	0.000	0.000	0.000
63	G	71	ASP	-1	-0.859	-0.932	23.144	-0.032	-0.032	0.000	0.000	0.000	0.000
64	G	72	ILE	0	-0.078	-0.041	20.135	-0.022	-0.022	0.000	0.000	0.000	0.000
65	G	73	ASP	-1	-0.754	-0.825	23.689	-0.097	-0.097	0.000	0.000	0.000	0.000
66	G	74	PHE	0	-0.070	-0.050	20.684	-0.008	-0.008	0.000	0.000	0.000	0.000
67	G	75	GLY	0	0.047	0.014	19.905	0.001	0.001	0.000	0.000	0.000	0.000
68	G	76	HIS	0	0.018	0.010	19.489	-0.009	-0.009	0.000	0.000	0.000	0.000
69	G	77	MET	0	0.017	0.022	21.272	0.012	0.012	0.000	0.000	0.000	0.000
70	G	78	GLU	-1	-0.871	-0.949	17.715	-0.156	-0.156	0.000	0.000	0.000	0.000
71	G	79	ALA	0	-0.005	-0.005	16.860	-0.005	-0.005	0.000	0.000	0.000	0.000
72	G	80	VAL	0	0.050	0.010	17.893	0.019	0.019	0.000	0.000	0.000	0.000
73	G	81	ASN	0	-0.030	-0.005	19.210	-0.019	-0.019	0.000	0.000	0.000	0.000
74	G	82	LEU	0	-0.052	-0.034	12.948	-0.011	-0.011	0.000	0.000	0.000	0.000
75	G	83	LEU	0	0.006	0.024	16.077	0.024	0.024	0.000	0.000	0.000	0.000
76	G	84	SER	0	-0.003	0.000	18.271	0.024	0.024	0.000	0.000	0.000	0.000
77	G	85	SER	0	-0.074	-0.043	14.305	0.011	0.011	0.000	0.000	0.000	0.000
78	G	86	ASN	0	0.040	0.006	16.817	0.051	0.051	0.000	0.000	0.000	0.000
79	G	87	ARG	1	0.868	0.928	11.424	0.293	0.293	0.000	0.000	0.000	0.000
80	G	88	TYR	0	0.116	0.049	10.306	0.022	0.022	0.000	0.000	0.000	0.000
81	G	89	THR	0	0.014	0.004	6.300	-0.139	-0.139	0.000	0.000	0.000	0.000
82	G	90	GLU	-1	-0.858	-0.907	9.072	-0.357	-0.357	0.000	0.000	0.000	0.000
83	G	91	LYS	1	0.868	0.939	11.205	-0.097	-0.097	0.000	0.000	0.000	0.000
84	G	92	GLN	0	-0.016	-0.013	9.464	-0.075	-0.075	0.000	0.000	0.000	0.000
85	G	93	ILE	0	-0.029	-0.020	8.475	-0.014	-0.014	0.000	0.000	0.000	0.000
86	G	94	GLY	0	0.036	0.023	11.940	-0.027	-0.027	0.000	0.000	0.000	0.000
87	G	95	TYR	0	0.021	-0.042	15.363	-0.010	-0.010	0.000	0.000	0.000	0.000
88	G	96	LEU	0	-0.040	0.013	12.654	-0.005	-0.005	0.000	0.000	0.000	0.000
89	G	97	PHE	0	0.013	-0.001	15.585	-0.016	-0.016	0.000	0.000	0.000	0.000
90	G	98	ILE	0	0.001	-0.011	17.118	-0.008	-0.008	0.000	0.000	0.000	0.000
91	G	99	SER	0	-0.029	-0.028	19.252	-0.001	-0.001	0.000	0.000	0.000	0.000
92	G	100	VAL	0	-0.068	-0.023	17.822	0.001	0.001	0.000	0.000	0.000	0.000
93	G	101	LEU	0	-0.033	-0.003	19.310	-0.010	-0.010	0.000	0.000	0.000	0.000
94	G	102	VAL	0	0.024	0.016	22.597	-0.010	-0.010	0.000	0.000	0.000	0.000
95	G	103	ASN	0	0.005	-0.011	25.504	-0.006	-0.006	0.000	0.000	0.000	0.000
96	G	104	SER	0	0.091	0.039	27.524	0.005	0.005	0.000	0.000	0.000	0.000
97	G	105	ASN	0	-0.045	-0.022	29.214	0.002	0.002	0.000	0.000	0.000	0.000
98	G	106	SER	0	0.103	0.036	30.537	0.001	0.001	0.000	0.000	0.000	0.000
99	G	107	GLU	-1	-0.868	-0.910	30.031	-0.029	-0.029	0.000	0.000	0.000	0.000
100	G	108	LEU	0	-0.011	-0.020	25.416	0.000	0.000	0.000	0.000	0.000	0.000
101	G	109	ILE	0	0.044	0.036	27.254	0.004	0.004	0.000	0.000	0.000	0.000
102	G	110	ARG	1	0.866	0.931	28.787	0.024	0.024	0.000	0.000	0.000	0.000
103	G	111	LEU	0	-0.009	-0.002	25.906	0.003	0.003	0.000	0.000	0.000	0.000
104	G	112	ILE	0	0.029	0.015	23.300	0.004	0.004	0.000	0.000	0.000	0.000
105	G	113	ASN	0	0.055	0.017	25.286	0.014	0.014	0.000	0.000	0.000	0.000
106	G	114	ASN	0	-0.066	-0.046	27.931	0.007	0.007	0.000	0.000	0.000	0.000
107	G	115	ALA	0	-0.029	-0.011	22.365	0.003	0.003	0.000	0.000	0.000	0.000
108	G	116	ILE	0	0.018	0.008	23.513	0.011	0.011	0.000	0.000	0.000	0.000
109	G	117	LYS	1	0.979	0.991	24.726	-0.026	-0.026	0.000	0.000	0.000	0.000
110	G	118	ASN	0	-0.017	-0.011	24.712	0.005	0.005	0.000	0.000	0.000	0.000
111	G	119	ASP	-1	-0.788	-0.861	20.724	0.103	0.103	0.000	0.000	0.000	0.000
112	G	120	LEU	0	-0.051	-0.024	23.517	0.013	0.013	0.000	0.000	0.000	0.000
113	G	121	ALA	0	0.001	0.010	26.315	0.003	0.003	0.000	0.000	0.000	0.000
114	G	122	SER	0	-0.072	-0.019	23.297	0.004	0.004	0.000	0.000	0.000	0.000
115	G	123	ARG	1	0.921	0.912	25.304	-0.098	-0.098	0.000	0.000	0.000	0.000
116	G	124	ASN	0	-0.026	0.001	18.359	0.035	0.035	0.000	0.000	0.000	0.000
117	G	125	PRO	0	0.115	0.054	21.077	0.001	0.001	0.000	0.000	0.000	0.000
118	G	126	THR	0	-0.005	-0.014	15.223	-0.004	-0.004	0.000	0.000	0.000	0.000
119	G	127	PHE	0	-0.029	-0.031	15.797	0.015	0.015	0.000	0.000	0.000	0.000
120	G	128	MET	0	0.043	0.036	19.336	-0.009	-0.009	0.000	0.000	0.000	0.000
121	G	129	GLY	0	-0.013	-0.007	20.723	-0.010	-0.010	0.000	0.000	0.000	0.000
122	G	130	LEU	0	-0.062	-0.023	14.676	0.013	0.013	0.000	0.000	0.000	0.000
123	G	131	ALA	0	0.053	0.029	18.861	-0.011	-0.011	0.000	0.000	0.000	0.000
124	G	132	LEU	0	0.012	-0.002	21.969	-0.010	-0.010	0.000	0.000	0.000	0.000
125	G	133	HIS	0	-0.025	-0.018	20.050	0.004	0.004	0.000	0.000	0.000	0.000
126	G	134	CYS	0	-0.059	-0.003	20.764	-0.013	-0.013	0.000	0.000	0.000	0.000
127	G	135	ILE	0	0.038	0.012	22.248	-0.012	-0.012	0.000	0.000	0.000	0.000
128	G	136	ALA	0	-0.015	-0.003	24.820	-0.010	-0.010	0.000	0.000	0.000	0.000
129	G	137	ASN	0	-0.022	-0.025	20.468	-0.008	-0.008	0.000	0.000	0.000	0.000
130	G	138	VAL	0	-0.009	0.000	23.450	-0.009	-0.009	0.000	0.000	0.000	0.000
131	G	139	GLY	0	-0.022	-0.016	25.891	-0.007	-0.007	0.000	0.000	0.000	0.000
132	G	140	SER	0	-0.044	-0.050	29.062	-0.004	-0.004	0.000	0.000	0.000	0.000
133	G	141	ARG	1	0.860	0.896	30.910	-0.040	-0.040	0.000	0.000	0.000	0.000
134	G	142	GLU	-1	-0.787	-0.883	31.796	0.038	0.038	0.000	0.000	0.000	0.000
135	G	143	MET	0	-0.053	-0.021	25.087	0.004	0.004	0.000	0.000	0.000	0.000
136	G	144	ALA	0	0.028	0.024	31.024	0.004	0.004	0.000	0.000	0.000	0.000
137	G	145	GLU	-1	-0.884	-0.943	33.735	0.035	0.035	0.000	0.000	0.000	0.000
138	G	146	ALA	0	-0.088	-0.023	31.847	-0.001	-0.001	0.000	0.000	0.000	0.000
139	G	147	PHE	0	-0.036	-0.047	28.664	0.001	0.001	0.000	0.000	0.000	0.000
140	G	148	ALA	0	-0.011	0.000	32.793	0.007	0.007	0.000	0.000	0.000	0.000
141	G	149	GLY	0	0.018	0.005	35.233	0.002	0.002	0.000	0.000	0.000	0.000
142	G	150	GLU	-1	-0.846	-0.921	32.004	0.068	0.068	0.000	0.000	0.000	0.000
143	G	151	ILE	0	0.012	0.001	29.081	0.005	0.005	0.000	0.000	0.000	0.000
144	G	152	PRO	0	0.031	0.014	32.427	0.008	0.008	0.000	0.000	0.000	0.000
145	G	153	LYS	1	0.830	0.905	35.183	-0.062	-0.062	0.000	0.000	0.000	0.000
146	G	154	ILE	0	-0.006	0.001	28.669	0.003	0.003	0.000	0.000	0.000	0.000
147	G	155	LEU	0	-0.048	-0.006	31.773	0.008	0.008	0.000	0.000	0.000	0.000
148	G	156	VAL	0	-0.027	-0.020	32.867	0.003	0.003	0.000	0.000	0.000	0.000
149	G	157	ALA	0	-0.041	0.010	33.846	-0.003	-0.003	0.000	0.000	0.000	0.000
150	G	158	GLY	0	0.062	0.014	33.962	0.007	0.007	0.000	0.000	0.000	0.000
151	G	159	ASP	-1	-0.867	-0.907	32.388	0.108	0.108	0.000	0.000	0.000	0.000
152	G	160	THR	0	-0.045	-0.017	28.870	0.008	0.008	0.000	0.000	0.000	0.000
153	G	161	MET	0	0.023	0.006	24.077	0.001	0.001	0.000	0.000	0.000	0.000
154	G	162	ASP	-1	-0.768	-0.887	27.238	0.182	0.182	0.000	0.000	0.000	0.000
155	G	163	SER	0	-0.012	-0.008	22.345	-0.010	-0.010	0.000	0.000	0.000	0.000
156	G	164	VAL	0	0.006	-0.010	24.017	0.003	0.003	0.000	0.000	0.000	0.000
157	G	165	LYS	1	0.916	0.958	25.737	-0.159	-0.159	0.000	0.000	0.000	0.000
158	G	166	GLN	0	-0.057	-0.018	25.764	0.005	0.005	0.000	0.000	0.000	0.000
159	G	167	SER	0	-0.011	-0.010	23.592	0.002	0.002	0.000	0.000	0.000	0.000
160	G	168	ALA	0	0.016	0.012	25.858	-0.009	-0.009	0.000	0.000	0.000	0.000
161	G	169	ALA	0	0.036	0.027	28.680	-0.011	-0.011	0.000	0.000	0.000	0.000
162	G	170	LEU	0	0.004	-0.011	26.740	-0.008	-0.008	0.000	0.000	0.000	0.000
163	G	171	CYS	0	-0.068	-0.032	26.587	-0.011	-0.011	0.000	0.000	0.000	0.000
164	G	172	LEU	0	0.057	0.029	28.820	-0.009	-0.009	0.000	0.000	0.000	0.000
165	G	173	LEU	0	-0.030	-0.001	31.977	-0.008	-0.008	0.000	0.000	0.000	0.000
166	G	174	ARG	1	0.828	0.941	27.835	-0.113	-0.113	0.000	0.000	0.000	0.000
167	G	175	LEU	0	0.021	0.005	31.056	-0.008	-0.008	0.000	0.000	0.000	0.000
168	G	176	TYR	0	-0.006	0.000	33.550	-0.009	-0.009	0.000	0.000	0.000	0.000
169	G	177	ARG	1	0.879	0.924	33.629	-0.111	-0.111	0.000	0.000	0.000	0.000
170	G	178	THR	0	-0.024	-0.004	33.521	-0.002	-0.002	0.000	0.000	0.000	0.000
171	G	179	SER	0	-0.019	-0.026	35.845	-0.007	-0.007	0.000	0.000	0.000	0.000
172	G	180	PRO	0	0.021	0.012	37.987	0.000	0.000	0.000	0.000	0.000	0.000
173	G	181	ASP	-1	-0.825	-0.878	40.527	0.047	0.047	0.000	0.000	0.000	0.000
174	G	182	LEU	0	-0.019	-0.007	37.137	-0.001	-0.001	0.000	0.000	0.000	0.000
175	G	183	VAL	0	-0.046	-0.019	36.597	0.002	0.002	0.000	0.000	0.000	0.000
176	G	184	PRO	0	-0.009	0.022	39.391	0.000	0.000	0.000	0.000	0.000	0.000
177	G	185	MET	0	-0.013	-0.022	40.852	0.005	0.005	0.000	0.000	0.000	0.000
178	G	186	GLY	0	0.048	0.011	43.357	-0.003	-0.003	0.000	0.000	0.000	0.000
179	G	187	ASP	-1	-0.864	-0.920	43.854	0.056	0.056	0.000	0.000	0.000	0.000
180	G	188	TRP	0	-0.069	-0.049	38.941	0.006	0.006	0.000	0.000	0.000	0.000
181	G	189	THR	0	-0.004	-0.017	40.813	0.006	0.006	0.000	0.000	0.000	0.000
182	G	190	SER	0	0.074	0.031	42.539	0.002	0.002	0.000	0.000	0.000	0.000
183	G	191	ARG	1	0.899	0.942	40.114	-0.070	-0.070	0.000	0.000	0.000	0.000
184	G	192	VAL	0	0.017	0.001	36.911	0.005	0.005	0.000	0.000	0.000	0.000
185	G	193	VAL	0	0.031	0.038	38.808	0.006	0.006	0.000	0.000	0.000	0.000
186	G	194	HIS	0	0.019	0.000	40.869	0.006	0.006	0.000	0.000	0.000	0.000
187	G	195	LEU	0	-0.017	-0.012	34.355	0.004	0.004	0.000	0.000	0.000	0.000
188	G	196	LEU	0	-0.042	-0.024	36.554	0.008	0.008	0.000	0.000	0.000	0.000
189	G	197	ASN	0	-0.031	-0.030	38.747	0.002	0.002	0.000	0.000	0.000	0.000
190	G	198	ASP	-1	-0.883	-0.922	33.699	0.149	0.149	0.000	0.000	0.000	0.000
191	G	199	GLN	0	0.040	0.017	34.240	0.006	0.006	0.000	0.000	0.000	0.000
192	G	200	HIS	0	0.023	0.021	26.165	-0.004	-0.004	0.000	0.000	0.000	0.000
193	G	201	LEU	0	0.060	0.012	31.749	-0.004	-0.004	0.000	0.000	0.000	0.000
194	G	202	GLY	0	0.033	0.030	28.399	-0.004	-0.004	0.000	0.000	0.000	0.000
195	G	203	VAL	0	0.009	-0.002	29.405	-0.001	-0.001	0.000	0.000	0.000	0.000
196	G	204	VAL	0	0.017	0.032	30.997	-0.008	-0.008	0.000	0.000	0.000	0.000
197	G	205	THR	0	-0.048	-0.025	30.624	-0.009	-0.009	0.000	0.000	0.000	0.000
198	G	206	ALA	0	-0.039	-0.029	29.138	-0.006	-0.006	0.000	0.000	0.000	0.000
199	G	207	ALA	0	0.029	0.012	31.222	-0.008	-0.008	0.000	0.000	0.000	0.000
200	G	208	THR	0	0.032	-0.011	34.380	-0.010	-0.010	0.000	0.000	0.000	0.000
201	G	209	SER	0	-0.040	0.006	32.684	-0.005	-0.005	0.000	0.000	0.000	0.000
202	G	210	LEU	0	-0.014	0.001	34.087	-0.006	-0.006	0.000	0.000	0.000	0.000
203	G	211	ILE	0	0.039	0.016	35.791	-0.007	-0.007	0.000	0.000	0.000	0.000
204	G	212	THR	0	0.002	0.003	38.492	-0.006	-0.006	0.000	0.000	0.000	0.000
205	G	213	THR	0	0.002	-0.009	37.142	-0.004	-0.004	0.000	0.000	0.000	0.000
206	G	214	LEU	0	-0.047	-0.017	38.723	-0.005	-0.005	0.000	0.000	0.000	0.000
207	G	215	ALA	0	-0.006	-0.009	41.475	-0.005	-0.005	0.000	0.000	0.000	0.000
208	G	216	GLN	0	0.009	0.016	42.565	-0.001	-0.001	0.000	0.000	0.000	0.000
209	G	217	LYS	1	0.917	0.964	43.392	-0.063	-0.063	0.000	0.000	0.000	0.000
210	G	218	ASN	0	-0.005	-0.010	45.640	-0.005	-0.005	0.000	0.000	0.000	0.000
211	G	219	PRO	0	0.079	0.050	47.058	0.002	0.002	0.000	0.000	0.000	0.000
212	G	220	GLU	-1	-0.833	-0.918	48.427	0.055	0.055	0.000	0.000	0.000	0.000
213	G	221	GLU	-1	-0.883	-0.917	46.060	0.060	0.060	0.000	0.000	0.000	0.000
214	G	222	PHE	0	-0.034	-0.023	42.660	0.003	0.003	0.000	0.000	0.000	0.000
215	G	223	LYS	1	0.911	0.969	46.419	-0.049	-0.049	0.000	0.000	0.000	0.000
216	G	224	THR	0	-0.014	-0.006	46.742	0.000	0.000	0.000	0.000	0.000	0.000
217	G	225	SER	0	-0.034	-0.039	43.238	0.003	0.003	0.000	0.000	0.000	0.000
218	G	226	VAL	0	0.039	0.039	44.940	0.004	0.004	0.000	0.000	0.000	0.000
219	G	227	SER	0	-0.004	-0.006	47.137	0.002	0.002	0.000	0.000	0.000	0.000
220	G	228	LEU	0	-0.017	-0.007	42.927	0.002	0.002	0.000	0.000	0.000	0.000
221	G	229	ALA	0	0.013	-0.001	42.453	0.004	0.004	0.000	0.000	0.000	0.000
222	G	230	VAL	0	0.018	0.011	43.465	0.003	0.003	0.000	0.000	0.000	0.000
223	G	231	SER	0	-0.044	-0.008	45.268	0.001	0.001	0.000	0.000	0.000	0.000
224	G	232	ARG	1	0.815	0.894	37.069	-0.124	-0.124	0.000	0.000	0.000	0.000
225	G	233	LEU	0	0.047	0.029	41.445	0.005	0.005	0.000	0.000	0.000	0.000
226	G	234	SER	0	0.008	-0.005	42.878	0.001	0.001	0.000	0.000	0.000	0.000
227	G	235	ARG	1	0.952	0.977	42.210	-0.104	-0.104	0.000	0.000	0.000	0.000
228	G	236	ILE	0	-0.018	-0.008	37.995	0.004	0.004	0.000	0.000	0.000	0.000
229	G	237	VAL	0	0.008	-0.004	40.846	0.003	0.003	0.000	0.000	0.000	0.000
230	G	238	THR	0	-0.043	-0.026	43.008	-0.002	-0.002	0.000	0.000	0.000	0.000
231	G	239	SER	0	-0.090	-0.044	41.134	0.001	0.001	0.000	0.000	0.000	0.000
232	G	240	ALA	0	0.023	0.022	42.131	0.000	0.000	0.000	0.000	0.000	0.000
233	G	241	SER	0	-0.098	-0.063	39.022	-0.003	-0.003	0.000	0.000	0.000	0.000
234	G	242	THR	0	0.020	0.005	38.442	0.000	0.000	0.000	0.000	0.000	0.000
235	G	243	ASP	-1	-0.803	-0.899	34.756	0.141	0.141	0.000	0.000	0.000	0.000
236	G	244	LEU	0	-0.005	-0.012	33.602	0.012	0.012	0.000	0.000	0.000	0.000
237	G	245	GLN	0	-0.006	0.031	32.011	-0.001	-0.001	0.000	0.000	0.000	0.000
238	G	246	ASP	-1	-0.878	-0.935	28.167	0.252	0.252	0.000	0.000	0.000	0.000
239	G	247	TYR	0	-0.058	-0.041	28.169	0.015	0.015	0.000	0.000	0.000	0.000
240	G	248	THR	0	-0.055	-0.024	31.099	-0.015	-0.015	0.000	0.000	0.000	0.000
241	G	249	TYR	0	0.019	0.003	27.836	0.009	0.009	0.000	0.000	0.000	0.000
242	G	250	TYR	0	-0.011	-0.013	28.068	-0.015	-0.015	0.000	0.000	0.000	0.000
243	G	251	PHE	0	0.003	-0.011	33.367	-0.010	-0.010	0.000	0.000	0.000	0.000
244	G	252	VAL	0	-0.020	0.001	35.325	-0.011	-0.011	0.000	0.000	0.000	0.000
245	G	253	PRO	0	0.036	0.028	34.925	0.014	0.014	0.000	0.000	0.000	0.000
246	G	254	ALA	0	0.059	0.028	33.603	-0.005	-0.005	0.000	0.000	0.000	0.000
247	G	255	PRO	0	0.025	0.026	33.010	-0.008	-0.008	0.000	0.000	0.000	0.000
248	G	256	TRP	0	0.053	0.010	29.319	-0.003	-0.003	0.000	0.000	0.000	0.000
249	G	257	LEU	0	-0.001	0.007	33.818	-0.005	-0.005	0.000	0.000	0.000	0.000
250	G	258	SER	0	0.020	-0.006	35.261	-0.010	-0.010	0.000	0.000	0.000	0.000
251	G	259	VAL	0	-0.011	-0.001	36.457	-0.006	-0.006	0.000	0.000	0.000	0.000
252	G	260	LYS	1	0.839	0.913	32.243	-0.155	-0.155	0.000	0.000	0.000	0.000
253	G	261	LEU	0	-0.013	-0.009	37.362	-0.005	-0.005	0.000	0.000	0.000	0.000
254	G	262	LEU	0	0.009	0.010	40.221	-0.006	-0.006	0.000	0.000	0.000	0.000
255	G	263	ARG	1	0.916	0.949	39.770	-0.091	-0.091	0.000	0.000	0.000	0.000
256	G	264	LEU	0	-0.031	-0.008	40.638	-0.004	-0.004	0.000	0.000	0.000	0.000
257	G	265	LEU	0	-0.033	-0.032	42.396	-0.005	-0.005	0.000	0.000	0.000	0.000
258	G	266	GLN	0	-0.001	-0.008	43.965	-0.004	-0.004	0.000	0.000	0.000	0.000
259	G	267	CYS	0	-0.122	-0.033	43.637	-0.002	-0.002	0.000	0.000	0.000	0.000
260	G	268	TYR	0	-0.053	-0.045	45.697	-0.002	-0.002	0.000	0.000	0.000	0.000
261	G	269	PRO	0	0.064	0.040	49.858	0.001	0.001	0.000	0.000	0.000	0.000
262	G	270	PRO	0	0.025	0.000	52.155	0.002	0.002	0.000	0.000	0.000	0.000
263	G	271	PRO	0	-0.042	-0.029	51.127	-0.001	-0.001	0.000	0.000	0.000	0.000
264	G	272	GLU	-1	-0.844	-0.910	53.600	0.052	0.052	0.000	0.000	0.000	0.000
265	G	273	ASP	-1	-0.837	-0.922	54.780	0.056	0.056	0.000	0.000	0.000	0.000
266	G	274	PRO	0	0.019	-0.008	55.848	0.002	0.002	0.000	0.000	0.000	0.000
267	G	275	ALA	0	0.007	0.010	56.258	0.001	0.001	0.000	0.000	0.000	0.000
268	G	276	VAL	0	-0.049	-0.030	50.534	0.003	0.003	0.000	0.000	0.000	0.000
269	G	277	ARG	1	0.957	0.983	52.582	-0.051	-0.051	0.000	0.000	0.000	0.000
270	G	278	GLY	0	0.047	0.029	54.358	0.001	0.001	0.000	0.000	0.000	0.000
271	G	279	ARG	1	0.964	0.991	49.345	-0.070	-0.070	0.000	0.000	0.000	0.000
272	G	280	LEU	0	-0.013	-0.011	48.114	0.003	0.003	0.000	0.000	0.000	0.000
273	G	281	THR	0	0.056	0.019	50.683	0.003	0.003	0.000	0.000	0.000	0.000
274	G	282	GLU	-1	-0.910	-0.944	52.760	0.066	0.066	0.000	0.000	0.000	0.000
275	G	283	CYS	0	-0.119	-0.039	46.664	0.004	0.004	0.000	0.000	0.000	0.000
276	G	284	LEU	0	0.031	-0.006	47.635	0.003	0.003	0.000	0.000	0.000	0.000
277	G	285	GLU	-1	-0.800	-0.909	49.654	0.063	0.063	0.000	0.000	0.000	0.000
278	G	286	THR	0	-0.056	-0.016	47.404	0.001	0.001	0.000	0.000	0.000	0.000
279	G	287	ILE	0	-0.051	-0.023	44.528	0.003	0.003	0.000	0.000	0.000	0.000
280	G	288	LEU	0	0.030	0.010	47.066	0.002	0.002	0.000	0.000	0.000	0.000
281	G	289	ASN	0	0.019	0.011	49.761	-0.002	-0.002	0.000	0.000	0.000	0.000
282	G	290	LYS	1	0.808	0.879	44.526	-0.091	-0.091	0.000	0.000	0.000	0.000
283	G	291	ALA	0	-0.043	-0.007	46.296	0.003	0.003	0.000	0.000	0.000	0.000
284	G	292	GLN	0	0.038	0.021	47.319	-0.001	-0.001	0.000	0.000	0.000	0.000
285	G	293	GLU	-1	-0.857	-0.888	47.624	0.087	0.087	0.000	0.000	0.000	0.000
286	G	294	PRO	0	-0.008	-0.002	47.241	0.003	0.003	0.000	0.000	0.000	0.000
287	G	295	PRO	0	-0.017	-0.020	42.107	0.003	0.003	0.000	0.000	0.000	0.000
288	G	296	LYS	1	0.988	1.005	40.455	-0.118	-0.118	0.000	0.000	0.000	0.000
289	G	297	SER	0	-0.035	-0.015	36.006	0.001	0.001	0.000	0.000	0.000	0.000
290	G	298	LYS	1	1.005	0.984	39.136	-0.099	-0.099	0.000	0.000	0.000	0.000
291	G	299	LYS	1	0.917	0.974	31.501	-0.170	-0.170	0.000	0.000	0.000	0.000
292	G	300	VAL	0	0.116	0.046	33.684	0.000	0.000	0.000	0.000	0.000	0.000
293	G	301	GLN	0	0.031	0.018	29.636	-0.012	-0.012	0.000	0.000	0.000	0.000
294	G	302	HIS	0	-0.007	-0.009	33.431	-0.005	-0.005	0.000	0.000	0.000	0.000
295	G	303	SER	0	0.011	0.015	36.098	-0.005	-0.005	0.000	0.000	0.000	0.000
296	G	304	ASN	0	0.033	-0.003	34.404	-0.009	-0.009	0.000	0.000	0.000	0.000
297	G	305	ALA	0	-0.022	-0.004	33.849	-0.001	-0.001	0.000	0.000	0.000	0.000
298	G	306	LYS	1	0.875	0.935	35.788	-0.103	-0.103	0.000	0.000	0.000	0.000
299	G	307	ASN	0	0.018	-0.013	39.272	-0.007	-0.007	0.000	0.000	0.000	0.000
300	G	308	ALA	0	0.004	0.021	36.890	-0.004	-0.004	0.000	0.000	0.000	0.000
301	G	309	VAL	0	0.000	-0.006	38.512	-0.002	-0.002	0.000	0.000	0.000	0.000
302	G	310	LEU	0	-0.016	0.011	40.645	-0.005	-0.005	0.000	0.000	0.000	0.000
303	G	311	PHE	0	0.006	-0.012	42.106	-0.004	-0.004	0.000	0.000	0.000	0.000
304	G	312	GLU	-1	-0.865	-0.918	40.589	0.097	0.097	0.000	0.000	0.000	0.000
305	G	313	ALA	0	-0.023	-0.017	43.153	-0.003	-0.003	0.000	0.000	0.000	0.000
306	G	314	ILE	0	-0.003	-0.015	45.917	-0.004	-0.004	0.000	0.000	0.000	0.000
307	G	315	SER	0	0.007	0.014	44.975	-0.005	-0.005	0.000	0.000	0.000	0.000
308	G	316	LEU	0	-0.029	-0.015	46.497	-0.002	-0.002	0.000	0.000	0.000	0.000
309	G	317	ILE	0	-0.063	-0.031	48.323	-0.003	-0.003	0.000	0.000	0.000	0.000
310	G	318	ILE	0	0.001	-0.011	50.120	-0.003	-0.003	0.000	0.000	0.000	0.000
311	G	319	HIS	0	-0.061	-0.006	49.581	-0.002	-0.002	0.000	0.000	0.000	0.000
312	G	320	HIS	0	-0.021	-0.026	50.618	-0.003	-0.003	0.000	0.000	0.000	0.000
313	G	321	ASP	-1	-0.824	-0.878	53.958	0.049	0.049	0.000	0.000	0.000	0.000
314	G	322	SER	0	-0.076	-0.049	56.215	-0.001	-0.001	0.000	0.000	0.000	0.000
315	G	323	GLU	-1	-0.886	-0.930	56.198	0.053	0.053	0.000	0.000	0.000	0.000
316	G	324	PRO	0	0.046	0.021	57.994	0.001	0.001	0.000	0.000	0.000	0.000
317	G	325	ASN	0	-0.014	-0.013	57.961	0.000	0.000	0.000	0.000	0.000	0.000
318	G	326	LEU	0	0.002	0.003	52.951	0.001	0.001	0.000	0.000	0.000	0.000
319	G	327	LEU	0	0.023	0.023	54.859	0.002	0.002	0.000	0.000	0.000	0.000
320	G	328	VAL	0	0.015	0.008	56.207	0.000	0.000	0.000	0.000	0.000	0.000
321	G	329	ARG	1	0.837	0.913	53.760	-0.064	-0.064	0.000	0.000	0.000	0.000
322	G	330	ALA	0	0.006	0.006	51.853	0.002	0.002	0.000	0.000	0.000	0.000
323	G	331	CYS	0	0.018	0.027	52.596	0.001	0.001	0.000	0.000	0.000	0.000
324	G	332	ASN	0	-0.029	-0.015	54.929	0.000	0.000	0.000	0.000	0.000	0.000
325	G	333	GLN	0	-0.028	-0.010	49.066	0.001	0.001	0.000	0.000	0.000	0.000
326	G	334	LEU	0	0.005	-0.008	48.481	0.002	0.002	0.000	0.000	0.000	0.000
327	G	335	GLY	0	0.061	0.027	51.014	0.000	0.000	0.000	0.000	0.000	0.000
328	G	336	GLN	0	-0.039	-0.022	51.519	0.002	0.002	0.000	0.000	0.000	0.000
329	G	337	PHE	0	-0.044	-0.030	45.295	0.002	0.002	0.000	0.000	0.000	0.000
330	G	338	LEU	0	0.016	0.026	48.577	0.001	0.001	0.000	0.000	0.000	0.000
331	G	339	GLN	0	-0.015	-0.012	50.961	-0.002	-0.002	0.000	0.000	0.000	0.000
332	G	340	HIS	0	-0.025	0.013	43.282	-0.001	-0.001	0.000	0.000	0.000	0.000
333	G	341	ARG	1	1.001	0.977	45.002	-0.081	-0.081	0.000	0.000	0.000	0.000
334	G	342	GLU	-1	-0.953	-0.972	39.324	0.109	0.109	0.000	0.000	0.000	0.000
335	G	343	THR	0	0.045	-0.001	41.958	-0.002	-0.002	0.000	0.000	0.000	0.000
336	G	344	ASN	0	-0.005	0.000	37.225	-0.004	-0.004	0.000	0.000	0.000	0.000
337	G	345	LEU	0	0.018	0.008	41.138	0.000	0.000	0.000	0.000	0.000	0.000
338	G	346	ARG	1	0.843	0.936	43.599	-0.073	-0.073	0.000	0.000	0.000	0.000
339	G	347	TYR	0	0.031	0.022	41.410	-0.004	-0.004	0.000	0.000	0.000	0.000
340	G	348	LEU	0	0.025	0.012	39.967	-0.001	-0.001	0.000	0.000	0.000	0.000
341	G	349	ALA	0	-0.059	-0.026	44.526	-0.002	-0.002	0.000	0.000	0.000	0.000
342	G	350	LEU	0	0.004	-0.010	47.792	-0.002	-0.002	0.000	0.000	0.000	0.000
343	G	351	GLU	-1	-0.844	-0.900	43.873	0.076	0.076	0.000	0.000	0.000	0.000
344	G	352	SER	0	-0.029	-0.030	46.609	-0.001	-0.001	0.000	0.000	0.000	0.000
345	G	353	MET	0	-0.034	-0.010	48.837	-0.002	-0.002	0.000	0.000	0.000	0.000
346	G	354	CYS	0	0.010	0.005	51.264	-0.003	-0.003	0.000	0.000	0.000	0.000
347	G	355	THR	0	0.000	0.004	49.840	-0.002	-0.002	0.000	0.000	0.000	0.000
348	G	356	LEU	0	-0.017	-0.004	52.541	-0.001	-0.001	0.000	0.000	0.000	0.000
349	G	357	ALA	0	0.007	0.001	54.484	-0.002	-0.002	0.000	0.000	0.000	0.000
350	G	358	SER	0	-0.022	-0.009	55.579	-0.002	-0.002	0.000	0.000	0.000	0.000
351	G	359	SER	0	-0.060	-0.036	57.074	-0.002	-0.002	0.000	0.000	0.000	0.000
352	G	360	GLU	-1	-0.895	-0.961	58.720	0.040	0.040	0.000	0.000	0.000	0.000
353	G	361	PHE	0	-0.039	-0.014	60.391	-0.001	-0.001	0.000	0.000	0.000	0.000
354	G	362	SER	0	-0.009	-0.019	58.398	0.000	0.000	0.000	0.000	0.000	0.000
355	G	363	HIS	0	-0.043	-0.008	60.327	0.000	0.000	0.000	0.000	0.000	0.000
356	G	364	GLU	-1	-0.764	-0.896	61.551	0.038	0.038	0.000	0.000	0.000	0.000
357	G	365	ALA	0	-0.004	0.009	60.317	0.000	0.000	0.000	0.000	0.000	0.000
358	G	366	VAL	0	-0.016	-0.016	56.800	0.001	0.001	0.000	0.000	0.000	0.000
359	G	367	LYS	1	0.863	0.910	59.281	-0.038	-0.038	0.000	0.000	0.000	0.000
360	G	368	THR	0	-0.041	-0.014	60.982	-0.002	-0.002	0.000	0.000	0.000	0.000
361	G	369	HIS	0	-0.058	-0.035	57.183	-0.001	-0.001	0.000	0.000	0.000	0.000
362	G	370	ILE	0	0.056	0.023	58.632	0.001	0.001	0.000	0.000	0.000	0.000
363	G	371	GLU	-1	-0.893	-0.946	60.306	0.039	0.039	0.000	0.000	0.000	0.000
364	G	372	THR	0	-0.027	-0.009	55.444	-0.001	-0.001	0.000	0.000	0.000	0.000
365	G	373	VAL	0	0.038	0.028	55.054	0.001	0.001	0.000	0.000	0.000	0.000
366	G	374	ILE	0	0.040	0.027	56.256	0.000	0.000	0.000	0.000	0.000	0.000
367	G	375	ASN	0	-0.067	-0.050	58.201	-0.001	-0.001	0.000	0.000	0.000	0.000
368	G	376	ALA	0	0.011	-0.002	52.799	0.000	0.000	0.000	0.000	0.000	0.000
369	G	377	LEU	0	-0.023	-0.016	53.797	0.001	0.001	0.000	0.000	0.000	0.000
370	G	378	LYS	1	0.859	0.937	55.092	-0.041	-0.041	0.000	0.000	0.000	0.000
371	G	379	THR	0	-0.052	-0.027	52.906	-0.001	-0.001	0.000	0.000	0.000	0.000
372	G	380	GLU	-1	-0.832	-0.884	47.863	0.066	0.066	0.000	0.000	0.000	0.000
373	G	381	ARG	1	0.957	0.979	46.606	-0.055	-0.055	0.000	0.000	0.000	0.000
374	G	382	ASP	-1	-0.839	-0.906	43.501	0.068	0.068	0.000	0.000	0.000	0.000
375	G	383	VAL	0	0.020	-0.001	46.176	-0.001	-0.001	0.000	0.000	0.000	0.000
376	G	384	SER	0	-0.040	-0.036	43.626	0.000	0.000	0.000	0.000	0.000	0.000
377	G	385	VAL	0	0.010	-0.015	45.026	0.000	0.000	0.000	0.000	0.000	0.000
378	G	386	ARG	1	0.859	0.932	47.337	-0.051	-0.051	0.000	0.000	0.000	0.000
379	G	387	GLN	0	0.011	0.002	48.460	-0.003	-0.003	0.000	0.000	0.000	0.000
380	G	388	ARG	1	0.830	0.911	43.231	-0.073	-0.073	0.000	0.000	0.000	0.000
381	G	389	ALA	0	-0.031	-0.023	49.723	0.001	0.001	0.000	0.000	0.000	0.000
382	G	390	VAL	0	-0.040	-0.027	52.877	-0.002	-0.002	0.000	0.000	0.000	0.000
383	G	391	ASP	-1	-0.859	-0.922	50.590	0.051	0.051	0.000	0.000	0.000	0.000
384	G	392	LEU	0	-0.007	-0.011	53.368	-0.001	-0.001	0.000	0.000	0.000	0.000
385	G	393	LEU	0	-0.041	-0.026	55.131	-0.001	-0.001	0.000	0.000	0.000	0.000
386	G	394	TYR	0	-0.042	-0.024	56.727	-0.002	-0.002	0.000	0.000	0.000	0.000
387	G	395	ALA	0	-0.018	0.018	56.550	-0.001	-0.001	0.000	0.000	0.000	0.000
388	G	396	MET	0	-0.022	0.007	58.223	-0.001	-0.001	0.000	0.000	0.000	0.000

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