FMO DATABASE

FMODB ID: 53M8Z

Calculation Name: 4C0E-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4C0E

Chain ID: A

ChEMBL ID:

UniProt ID: G0SAL9

Base Structure: X-ray

Registration Date: 2023-06-20

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	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	512
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-9710548.820694
FMO2-HF: Nuclear repulsion	9510558.997403
FMO2-HF: Total energy	-199989.823291
FMO2-MP2: Total energy	-200578.353757

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:1674:LEU)

Summations of interaction energy for fragment #1(A:1674:LEU)

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.
-2.241	0.85	0.128	-1.211	-2.009	0.005

Interaction energy analysis for fragmet #1(A:1674:LEU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.030 / q_NPA : -0.025

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	1676	ALA	0	-0.031	-0.019	2.726	-0.788	1.812	0.127	-1.095	-1.633	0.005
4	A	1677	ALA	0	-0.004	-0.005	3.926	-0.797	-0.306	0.001	-0.116	-0.376	0.000
5	A	1678	HIS	0	-0.016	-0.013	5.663	-0.694	-0.694	0.000	0.000	0.000	0.000
6	A	1679	LEU	0	-0.004	0.009	7.529	0.051	0.051	0.000	0.000	0.000	0.000
7	A	1680	LEU	0	-0.003	-0.018	8.517	-0.071	-0.071	0.000	0.000	0.000	0.000
8	A	1681	GLU	-1	-0.850	-0.913	8.929	0.087	0.087	0.000	0.000	0.000	0.000
9	A	1682	GLN	0	-0.016	0.005	11.860	-0.119	-0.119	0.000	0.000	0.000	0.000
10	A	1683	MET	0	-0.043	-0.026	13.398	-0.027	-0.027	0.000	0.000	0.000	0.000
11	A	1684	GLU	-1	-0.802	-0.893	14.744	0.386	0.386	0.000	0.000	0.000	0.000
12	A	1685	TYR	0	-0.062	-0.043	16.103	-0.033	-0.033	0.000	0.000	0.000	0.000
13	A	1686	VAL	0	0.010	0.005	17.989	-0.017	-0.017	0.000	0.000	0.000	0.000
14	A	1687	PHE	0	-0.006	-0.019	19.574	-0.014	-0.014	0.000	0.000	0.000	0.000
15	A	1688	ASP	-1	-0.767	-0.855	20.677	0.155	0.155	0.000	0.000	0.000	0.000
16	A	1689	GLU	-1	-0.863	-0.912	22.417	0.016	0.016	0.000	0.000	0.000	0.000
17	A	1690	TRP	0	-0.094	-0.053	24.180	-0.014	-0.014	0.000	0.000	0.000	0.000
18	A	1691	ILE	0	0.005	-0.002	24.047	-0.005	-0.005	0.000	0.000	0.000	0.000
19	A	1692	HIS	0	0.015	0.015	26.807	-0.001	-0.001	0.000	0.000	0.000	0.000
20	A	1693	LEU	0	-0.053	-0.022	28.655	-0.008	-0.008	0.000	0.000	0.000	0.000
21	A	1694	CYS	0	-0.097	-0.050	29.742	-0.004	-0.004	0.000	0.000	0.000	0.000
22	A	1695	ASN	0	-0.038	-0.022	30.544	-0.002	-0.002	0.000	0.000	0.000	0.000
23	A	1696	ASN	0	-0.007	0.001	32.845	-0.003	-0.003	0.000	0.000	0.000	0.000
24	A	1697	PRO	0	0.015	0.018	34.593	-0.002	-0.002	0.000	0.000	0.000	0.000
25	A	1698	HIS	0	-0.048	-0.027	37.658	-0.003	-0.003	0.000	0.000	0.000	0.000
26	A	1699	ALA	0	-0.013	0.009	34.878	-0.005	-0.005	0.000	0.000	0.000	0.000
27	A	1700	THR	0	-0.020	-0.021	36.868	0.000	0.000	0.000	0.000	0.000	0.000
28	A	1701	GLU	-1	-0.846	-0.939	36.794	0.022	0.022	0.000	0.000	0.000	0.000
29	A	1702	ARG	1	0.902	0.946	36.737	0.007	0.007	0.000	0.000	0.000	0.000
30	A	1703	ALA	0	-0.004	-0.003	33.287	-0.003	-0.003	0.000	0.000	0.000	0.000
31	A	1704	ALA	0	0.067	0.039	31.667	-0.001	-0.001	0.000	0.000	0.000	0.000
32	A	1705	MET	0	0.039	0.004	30.913	0.002	0.002	0.000	0.000	0.000	0.000
33	A	1706	ILE	0	-0.026	-0.003	30.582	-0.004	-0.004	0.000	0.000	0.000	0.000
34	A	1707	PHE	0	0.049	0.027	23.563	-0.008	-0.008	0.000	0.000	0.000	0.000
35	A	1708	VAL	0	0.010	0.001	26.553	-0.002	-0.002	0.000	0.000	0.000	0.000
36	A	1709	HIS	0	-0.087	-0.050	26.942	-0.004	-0.004	0.000	0.000	0.000	0.000
37	A	1710	GLN	0	-0.036	-0.012	24.891	-0.004	-0.004	0.000	0.000	0.000	0.000
38	A	1711	LEU	0	0.022	0.012	21.699	-0.011	-0.011	0.000	0.000	0.000	0.000
39	A	1712	HIS	0	-0.074	-0.026	21.934	-0.011	-0.011	0.000	0.000	0.000	0.000
40	A	1713	SER	0	-0.003	0.005	23.610	-0.013	-0.013	0.000	0.000	0.000	0.000
41	A	1714	VAL	0	-0.038	-0.021	20.322	-0.014	-0.014	0.000	0.000	0.000	0.000
42	A	1715	GLN	0	-0.017	-0.023	18.670	-0.002	-0.002	0.000	0.000	0.000	0.000
43	A	1716	LEU	0	-0.005	0.024	17.661	-0.013	-0.013	0.000	0.000	0.000	0.000
44	A	1717	VAL	0	-0.001	-0.010	17.263	0.024	0.024	0.000	0.000	0.000	0.000
45	A	1718	THR	0	-0.048	-0.013	17.762	-0.006	-0.006	0.000	0.000	0.000	0.000
46	A	1719	ASN	0	-0.002	-0.011	16.142	0.036	0.036	0.000	0.000	0.000	0.000
47	A	1720	ARG	1	0.985	0.974	19.976	-0.016	-0.016	0.000	0.000	0.000	0.000
48	A	1721	ASP	-1	-0.883	-0.951	16.757	0.085	0.085	0.000	0.000	0.000	0.000
49	A	1722	GLU	-1	-0.812	-0.891	14.814	-0.020	-0.020	0.000	0.000	0.000	0.000
50	A	1723	PHE	0	0.030	0.013	16.506	0.027	0.027	0.000	0.000	0.000	0.000
51	A	1724	LEU	0	0.003	-0.009	19.123	0.022	0.022	0.000	0.000	0.000	0.000
52	A	1725	LEU	0	-0.019	-0.003	11.354	0.030	0.030	0.000	0.000	0.000	0.000
53	A	1726	PHE	0	0.030	0.006	15.856	0.050	0.050	0.000	0.000	0.000	0.000
54	A	1727	LEU	0	-0.016	-0.015	17.367	0.011	0.011	0.000	0.000	0.000	0.000
55	A	1728	ARG	1	0.894	0.940	15.660	-0.309	-0.309	0.000	0.000	0.000	0.000
56	A	1729	HIS	0	-0.017	-0.016	12.947	0.039	0.039	0.000	0.000	0.000	0.000
57	A	1730	ALA	0	0.027	0.028	16.699	-0.006	-0.006	0.000	0.000	0.000	0.000
58	A	1731	LEU	0	-0.017	-0.001	20.129	-0.014	-0.014	0.000	0.000	0.000	0.000
59	A	1732	ASP	-1	-0.877	-0.936	17.283	0.419	0.419	0.000	0.000	0.000	0.000
60	A	1733	LYS	1	0.839	0.909	15.967	-0.413	-0.413	0.000	0.000	0.000	0.000
61	A	1734	SER	0	-0.055	-0.045	20.425	-0.031	-0.031	0.000	0.000	0.000	0.000
62	A	1735	VAL	0	-0.041	-0.018	22.791	-0.021	-0.021	0.000	0.000	0.000	0.000
63	A	1736	GLU	-1	-0.848	-0.911	19.116	0.330	0.330	0.000	0.000	0.000	0.000
64	A	1737	ARG	1	0.812	0.868	21.028	-0.193	-0.193	0.000	0.000	0.000	0.000
65	A	1738	PHE	0	-0.038	-0.017	25.200	-0.018	-0.018	0.000	0.000	0.000	0.000
66	A	1739	GLU	-1	-0.810	-0.878	26.049	0.199	0.199	0.000	0.000	0.000	0.000
67	A	1740	GLN	0	0.020	0.024	24.772	0.001	0.001	0.000	0.000	0.000	0.000
68	A	1741	GLY	0	0.010	0.017	27.375	-0.011	-0.011	0.000	0.000	0.000	0.000
69	A	1742	ILE	0	-0.026	-0.026	30.500	-0.010	-0.010	0.000	0.000	0.000	0.000
70	A	1743	HIS	0	-0.008	-0.005	28.208	-0.016	-0.016	0.000	0.000	0.000	0.000
71	A	1744	SER	0	-0.075	-0.038	30.189	-0.005	-0.005	0.000	0.000	0.000	0.000
72	A	1745	GLY	0	-0.018	0.001	32.621	-0.007	-0.007	0.000	0.000	0.000	0.000
73	A	1746	ALA	0	-0.044	-0.006	33.814	-0.007	-0.007	0.000	0.000	0.000	0.000
74	A	1747	SER	0	0.020	0.007	35.801	0.003	0.003	0.000	0.000	0.000	0.000
75	A	1748	ILE	0	0.043	-0.006	35.271	0.004	0.004	0.000	0.000	0.000	0.000
76	A	1749	ALA	0	-0.023	-0.019	35.145	0.004	0.004	0.000	0.000	0.000	0.000
77	A	1750	GLU	-1	-0.880	-0.929	33.528	0.075	0.075	0.000	0.000	0.000	0.000
78	A	1751	SER	0	0.001	-0.002	31.089	0.005	0.005	0.000	0.000	0.000	0.000
79	A	1752	PHE	0	-0.040	-0.036	30.153	0.010	0.010	0.000	0.000	0.000	0.000
80	A	1753	GLN	0	0.045	0.038	30.011	0.005	0.005	0.000	0.000	0.000	0.000
81	A	1754	ALA	0	0.026	0.026	25.737	-0.002	-0.002	0.000	0.000	0.000	0.000
82	A	1755	VAL	0	0.035	0.004	26.982	0.002	0.002	0.000	0.000	0.000	0.000
83	A	1756	GLU	-1	-0.842	-0.913	27.963	0.079	0.079	0.000	0.000	0.000	0.000
84	A	1757	ALA	0	0.029	0.024	27.964	-0.007	-0.007	0.000	0.000	0.000	0.000
85	A	1758	LEU	0	-0.010	0.015	23.505	-0.007	-0.007	0.000	0.000	0.000	0.000
86	A	1759	VAL	0	0.029	0.004	26.896	-0.006	-0.006	0.000	0.000	0.000	0.000
87	A	1760	LYS	1	0.956	0.992	29.822	-0.055	-0.055	0.000	0.000	0.000	0.000
88	A	1761	LEU	0	0.005	0.003	24.483	-0.008	-0.008	0.000	0.000	0.000	0.000
89	A	1762	ILE	0	0.008	0.001	25.568	-0.007	-0.007	0.000	0.000	0.000	0.000
90	A	1763	ILE	0	-0.023	-0.021	28.664	-0.008	-0.008	0.000	0.000	0.000	0.000
91	A	1764	ILE	0	-0.053	-0.027	30.606	-0.007	-0.007	0.000	0.000	0.000	0.000
92	A	1765	PHE	0	0.048	0.027	25.913	-0.006	-0.006	0.000	0.000	0.000	0.000
93	A	1766	VAL	0	-0.034	0.004	30.386	-0.006	-0.006	0.000	0.000	0.000	0.000
94	A	1767	LYS	1	0.907	0.954	32.746	-0.040	-0.040	0.000	0.000	0.000	0.000
95	A	1768	SER	0	-0.078	-0.031	31.902	-0.005	-0.005	0.000	0.000	0.000	0.000
96	A	1769	HIS	0	-0.010	0.001	30.550	-0.008	-0.008	0.000	0.000	0.000	0.000
97	A	1778	SER	0	0.017	-0.005	35.916	-0.002	-0.002	0.000	0.000	0.000	0.000
98	A	1779	ALA	0	0.040	0.015	31.372	0.004	0.004	0.000	0.000	0.000	0.000
99	A	1780	ALA	0	0.057	0.029	31.259	0.005	0.005	0.000	0.000	0.000	0.000
100	A	1781	VAL	0	0.006	0.005	32.535	0.006	0.006	0.000	0.000	0.000	0.000
101	A	1782	ALA	0	0.017	0.010	29.652	0.006	0.006	0.000	0.000	0.000	0.000
102	A	1783	PHE	0	-0.026	-0.004	25.842	0.008	0.008	0.000	0.000	0.000	0.000
103	A	1784	MET	0	0.036	0.013	28.057	0.010	0.010	0.000	0.000	0.000	0.000
104	A	1785	ASP	-1	-0.849	-0.922	29.453	0.095	0.095	0.000	0.000	0.000	0.000
105	A	1786	SER	0	-0.069	-0.033	24.471	0.011	0.011	0.000	0.000	0.000	0.000
106	A	1787	ILE	0	0.048	0.012	24.731	0.018	0.018	0.000	0.000	0.000	0.000
107	A	1788	LEU	0	-0.024	-0.002	26.131	0.014	0.014	0.000	0.000	0.000	0.000
108	A	1789	ALA	0	0.016	-0.008	25.481	0.010	0.010	0.000	0.000	0.000	0.000
109	A	1790	LEU	0	-0.038	0.001	20.494	0.019	0.019	0.000	0.000	0.000	0.000
110	A	1791	GLY	0	0.031	0.005	22.869	0.023	0.023	0.000	0.000	0.000	0.000
111	A	1792	VAL	0	-0.001	-0.005	25.315	0.010	0.010	0.000	0.000	0.000	0.000
112	A	1793	LEU	0	-0.020	0.011	18.198	0.010	0.010	0.000	0.000	0.000	0.000
113	A	1794	VAL	0	0.027	0.009	19.682	0.023	0.023	0.000	0.000	0.000	0.000
114	A	1795	ALA	0	0.031	0.028	21.743	0.012	0.012	0.000	0.000	0.000	0.000
115	A	1796	ASN	0	-0.007	-0.033	23.717	-0.003	-0.003	0.000	0.000	0.000	0.000
116	A	1797	SER	0	-0.057	-0.023	18.854	0.020	0.020	0.000	0.000	0.000	0.000
117	A	1798	HIS	0	0.012	-0.028	20.223	0.001	0.001	0.000	0.000	0.000	0.000
118	A	1799	HIS	0	0.021	0.029	22.668	-0.024	-0.024	0.000	0.000	0.000	0.000
119	A	1800	VAL	0	-0.046	-0.025	20.657	-0.009	-0.009	0.000	0.000	0.000	0.000
120	A	1801	LYS	1	0.851	0.939	17.155	-0.432	-0.432	0.000	0.000	0.000	0.000
121	A	1802	ARG	1	0.786	0.844	21.008	-0.252	-0.252	0.000	0.000	0.000	0.000
122	A	1803	GLY	0	0.036	0.042	24.221	-0.012	-0.012	0.000	0.000	0.000	0.000
123	A	1804	GLU	-1	-0.888	-0.943	26.871	0.193	0.193	0.000	0.000	0.000	0.000
124	A	1805	ASN	0	-0.102	-0.071	26.264	-0.017	-0.017	0.000	0.000	0.000	0.000
125	A	1806	PHE	0	-0.019	0.017	26.120	0.003	0.003	0.000	0.000	0.000	0.000
126	A	1807	ASN	0	0.047	0.013	27.883	-0.025	-0.025	0.000	0.000	0.000	0.000
127	A	1808	GLN	0	0.068	0.013	29.263	0.000	0.000	0.000	0.000	0.000	0.000
128	A	1809	ARG	1	0.916	0.969	31.825	-0.100	-0.100	0.000	0.000	0.000	0.000
129	A	1810	VAL	0	0.057	0.035	27.252	-0.008	-0.008	0.000	0.000	0.000	0.000
130	A	1811	PHE	0	0.066	0.026	23.793	-0.005	-0.005	0.000	0.000	0.000	0.000
131	A	1812	TYR	0	-0.074	-0.032	29.525	-0.007	-0.007	0.000	0.000	0.000	0.000
132	A	1813	ARG	1	0.829	0.899	32.032	-0.090	-0.090	0.000	0.000	0.000	0.000
133	A	1814	PHE	0	0.036	0.018	26.516	-0.006	-0.006	0.000	0.000	0.000	0.000
134	A	1815	PHE	0	0.033	0.003	28.325	-0.007	-0.007	0.000	0.000	0.000	0.000
135	A	1816	ALA	0	-0.010	0.001	32.703	-0.008	-0.008	0.000	0.000	0.000	0.000
136	A	1817	LEU	0	-0.027	-0.008	32.605	-0.007	-0.007	0.000	0.000	0.000	0.000
137	A	1818	LEU	0	0.020	0.012	29.435	-0.007	-0.007	0.000	0.000	0.000	0.000
138	A	1819	LEU	0	-0.035	-0.012	34.105	-0.006	-0.006	0.000	0.000	0.000	0.000
139	A	1820	HIS	0	-0.026	-0.009	37.313	-0.005	-0.005	0.000	0.000	0.000	0.000
140	A	1821	GLU	-1	-0.898	-0.968	35.290	0.049	0.049	0.000	0.000	0.000	0.000
141	A	1822	VAL	0	-0.009	-0.010	35.512	-0.005	-0.005	0.000	0.000	0.000	0.000
142	A	1823	GLY	0	-0.023	-0.009	38.160	-0.004	-0.004	0.000	0.000	0.000	0.000
143	A	1824	LEU	0	-0.012	0.002	40.373	-0.004	-0.004	0.000	0.000	0.000	0.000
144	A	1825	LEU	0	-0.064	-0.026	37.008	-0.004	-0.004	0.000	0.000	0.000	0.000
145	A	1826	ALA	0	0.017	0.002	41.087	-0.001	-0.001	0.000	0.000	0.000	0.000
146	A	1827	GLY	0	-0.031	-0.014	43.447	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	1828	HIS	0	-0.056	-0.009	37.813	-0.003	-0.003	0.000	0.000	0.000	0.000
148	A	1829	PHE	0	-0.003	-0.003	36.152	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	1830	SER	0	0.039	0.025	41.629	0.000	0.000	0.000	0.000	0.000	0.000
150	A	1831	LYS	1	1.024	0.988	43.518	-0.020	-0.020	0.000	0.000	0.000	0.000
151	A	1832	SER	0	0.026	0.013	42.778	0.001	0.001	0.000	0.000	0.000	0.000
152	A	1833	HIS	0	-0.004	-0.015	39.132	0.004	0.004	0.000	0.000	0.000	0.000
153	A	1834	TYR	0	0.045	0.027	39.217	0.003	0.003	0.000	0.000	0.000	0.000
154	A	1835	GLU	-1	-0.810	-0.925	40.481	0.035	0.035	0.000	0.000	0.000	0.000
155	A	1836	GLN	0	-0.015	-0.011	37.514	0.004	0.004	0.000	0.000	0.000	0.000
156	A	1837	ILE	0	0.029	0.025	35.153	0.004	0.004	0.000	0.000	0.000	0.000
157	A	1838	ILE	0	0.018	0.017	36.485	0.006	0.006	0.000	0.000	0.000	0.000
158	A	1839	LEU	0	-0.008	-0.008	38.552	0.004	0.004	0.000	0.000	0.000	0.000
159	A	1840	ASN	0	-0.050	-0.031	33.321	0.002	0.002	0.000	0.000	0.000	0.000
160	A	1841	PHE	0	0.036	0.013	33.857	0.008	0.008	0.000	0.000	0.000	0.000
161	A	1842	ALA	0	0.005	-0.003	35.191	0.005	0.005	0.000	0.000	0.000	0.000
162	A	1843	ALA	0	-0.048	-0.019	34.110	0.002	0.002	0.000	0.000	0.000	0.000
163	A	1844	ARG	1	0.826	0.904	28.924	-0.096	-0.096	0.000	0.000	0.000	0.000
164	A	1845	LEU	0	0.035	0.015	31.672	0.008	0.008	0.000	0.000	0.000	0.000
165	A	1846	PHE	0	0.014	0.020	34.235	0.003	0.003	0.000	0.000	0.000	0.000
166	A	1847	ASP	-1	-0.847	-0.909	29.449	0.110	0.110	0.000	0.000	0.000	0.000
167	A	1848	MET	0	-0.085	-0.031	29.293	0.015	0.015	0.000	0.000	0.000	0.000
168	A	1849	ARG	1	0.922	0.969	31.627	-0.101	-0.101	0.000	0.000	0.000	0.000
169	A	1850	PRO	0	0.053	0.037	33.382	0.008	0.008	0.000	0.000	0.000	0.000
170	A	1851	ASN	0	-0.005	-0.027	35.172	0.002	0.002	0.000	0.000	0.000	0.000
171	A	1852	LEU	0	-0.027	-0.008	30.080	0.001	0.001	0.000	0.000	0.000	0.000
172	A	1853	LEU	0	-0.031	-0.011	27.184	0.013	0.013	0.000	0.000	0.000	0.000
173	A	1854	PRO	0	0.041	0.027	31.106	-0.006	-0.006	0.000	0.000	0.000	0.000
174	A	1855	GLY	0	-0.002	0.002	31.547	-0.007	-0.007	0.000	0.000	0.000	0.000
175	A	1856	PHE	0	-0.029	-0.033	30.719	0.001	0.001	0.000	0.000	0.000	0.000
176	A	1857	ALA	0	0.052	0.032	32.806	-0.006	-0.006	0.000	0.000	0.000	0.000
177	A	1858	CYS	0	-0.029	-0.012	36.398	-0.005	-0.005	0.000	0.000	0.000	0.000
178	A	1859	ALA	0	0.012	0.002	34.151	-0.005	-0.005	0.000	0.000	0.000	0.000
179	A	1860	TRP	0	-0.025	-0.023	34.353	-0.007	-0.007	0.000	0.000	0.000	0.000
180	A	1861	ALA	0	0.043	0.018	36.186	-0.005	-0.005	0.000	0.000	0.000	0.000
181	A	1862	GLY	0	-0.015	0.000	39.119	-0.005	-0.005	0.000	0.000	0.000	0.000
182	A	1863	LEU	0	-0.048	-0.034	33.770	-0.003	-0.003	0.000	0.000	0.000	0.000
183	A	1864	VAL	0	0.011	0.016	38.387	-0.004	-0.004	0.000	0.000	0.000	0.000
184	A	1865	SER	0	-0.011	-0.022	40.830	-0.005	-0.005	0.000	0.000	0.000	0.000
185	A	1866	HIS	0	0.016	0.028	39.201	-0.006	-0.006	0.000	0.000	0.000	0.000
186	A	1867	ARG	1	0.849	0.898	42.426	-0.047	-0.047	0.000	0.000	0.000	0.000
187	A	1868	ALA	0	0.007	0.003	40.801	-0.003	-0.003	0.000	0.000	0.000	0.000
188	A	1869	PHE	0	-0.023	-0.010	39.400	0.000	0.000	0.000	0.000	0.000	0.000
189	A	1870	LEU	0	0.026	0.012	41.838	-0.002	-0.002	0.000	0.000	0.000	0.000
190	A	1871	PRO	0	-0.033	-0.019	44.761	-0.002	-0.002	0.000	0.000	0.000	0.000
191	A	1872	VAL	0	0.016	0.011	42.628	-0.002	-0.002	0.000	0.000	0.000	0.000
192	A	1873	ILE	0	-0.048	-0.007	41.518	-0.002	-0.002	0.000	0.000	0.000	0.000
193	A	1874	LEU	0	-0.023	-0.010	44.596	-0.002	-0.002	0.000	0.000	0.000	0.000
194	A	1875	GLY	0	0.030	0.024	47.855	-0.002	-0.002	0.000	0.000	0.000	0.000
195	A	1876	LEU	0	-0.070	-0.025	43.492	-0.002	-0.002	0.000	0.000	0.000	0.000
196	A	1877	PRO	0	-0.003	0.005	48.222	0.000	0.000	0.000	0.000	0.000	0.000
197	A	1878	ASP	-1	-0.873	-0.952	49.922	0.027	0.027	0.000	0.000	0.000	0.000
198	A	1879	GLU	-1	-0.801	-0.868	50.420	0.032	0.032	0.000	0.000	0.000	0.000
199	A	1880	LYS	1	0.800	0.898	45.805	-0.029	-0.029	0.000	0.000	0.000	0.000
200	A	1881	GLY	0	0.026	0.002	44.384	0.002	0.002	0.000	0.000	0.000	0.000
201	A	1882	TRP	0	-0.014	-0.015	45.092	0.003	0.003	0.000	0.000	0.000	0.000
202	A	1883	ALA	0	0.027	0.017	45.354	0.002	0.002	0.000	0.000	0.000	0.000
203	A	1884	PRO	0	-0.019	-0.014	40.407	0.003	0.003	0.000	0.000	0.000	0.000
204	A	1885	PHE	0	0.049	0.026	41.674	0.004	0.004	0.000	0.000	0.000	0.000
205	A	1886	THR	0	0.030	0.012	43.659	0.001	0.001	0.000	0.000	0.000	0.000
206	A	1887	LYS	1	0.921	0.981	38.864	-0.063	-0.063	0.000	0.000	0.000	0.000
207	A	1888	LEU	0	-0.017	-0.011	37.882	0.003	0.003	0.000	0.000	0.000	0.000
208	A	1889	LEU	0	0.008	0.009	40.978	0.003	0.003	0.000	0.000	0.000	0.000
209	A	1890	GLU	-1	-0.913	-0.950	43.435	0.058	0.058	0.000	0.000	0.000	0.000
210	A	1891	GLN	0	-0.038	-0.026	39.033	0.005	0.005	0.000	0.000	0.000	0.000
211	A	1892	PHE	0	-0.015	-0.011	41.678	0.003	0.003	0.000	0.000	0.000	0.000
212	A	1893	LEU	0	0.013	-0.009	42.660	0.001	0.001	0.000	0.000	0.000	0.000
213	A	1894	GLY	0	0.072	0.044	44.557	-0.001	-0.001	0.000	0.000	0.000	0.000
214	A	1895	CYS	0	-0.066	-0.032	40.468	0.003	0.003	0.000	0.000	0.000	0.000
215	A	1896	VAL	0	-0.021	-0.006	42.587	0.001	0.001	0.000	0.000	0.000	0.000
216	A	1897	GLY	0	0.029	0.007	45.429	-0.001	-0.001	0.000	0.000	0.000	0.000
217	A	1898	GLU	-1	-0.835	-0.909	43.455	0.062	0.062	0.000	0.000	0.000	0.000
218	A	1899	LEU	0	-0.021	-0.009	41.426	0.000	0.000	0.000	0.000	0.000	0.000
219	A	1900	VAL	0	-0.015	-0.004	45.291	-0.001	-0.001	0.000	0.000	0.000	0.000
220	A	1901	LYS	1	0.837	0.908	47.244	-0.061	-0.061	0.000	0.000	0.000	0.000
221	A	1902	THR	0	-0.066	-0.022	45.426	-0.001	-0.001	0.000	0.000	0.000	0.000
222	A	1903	PHE	0	-0.013	0.003	48.329	0.001	0.001	0.000	0.000	0.000	0.000
223	A	1904	THR	0	-0.012	-0.004	44.784	0.001	0.001	0.000	0.000	0.000	0.000
224	A	1905	VAL	0	0.053	0.022	47.188	-0.002	-0.002	0.000	0.000	0.000	0.000
225	A	1906	SER	0	0.003	-0.004	42.787	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	1907	SER	0	0.030	-0.013	42.552	-0.003	-0.003	0.000	0.000	0.000	0.000
227	A	1908	LEU	0	0.030	0.033	38.569	-0.002	-0.002	0.000	0.000	0.000	0.000
228	A	1909	GLY	0	0.072	0.044	41.996	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	1910	LYS	1	0.892	0.945	44.981	-0.066	-0.066	0.000	0.000	0.000	0.000
230	A	1911	GLU	-1	-0.882	-0.942	42.304	0.067	0.067	0.000	0.000	0.000	0.000
231	A	1912	MET	0	-0.016	-0.012	39.344	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	1913	TYR	0	0.013	-0.009	44.108	-0.002	-0.002	0.000	0.000	0.000	0.000
233	A	1914	HIS	0	0.032	0.004	47.758	-0.003	-0.003	0.000	0.000	0.000	0.000
234	A	1915	ALA	0	-0.036	-0.024	44.413	-0.002	-0.002	0.000	0.000	0.000	0.000
235	A	1916	ALA	0	0.018	0.014	46.390	-0.001	-0.001	0.000	0.000	0.000	0.000
236	A	1917	LEU	0	0.004	0.003	48.039	-0.002	-0.002	0.000	0.000	0.000	0.000
237	A	1918	LYS	1	0.852	0.936	46.060	-0.063	-0.063	0.000	0.000	0.000	0.000
238	A	1919	ILE	0	0.003	0.007	44.971	-0.002	-0.002	0.000	0.000	0.000	0.000
239	A	1920	LEU	0	0.013	0.006	48.930	-0.002	-0.002	0.000	0.000	0.000	0.000
240	A	1921	ILE	0	-0.016	-0.002	51.903	-0.002	-0.002	0.000	0.000	0.000	0.000
241	A	1922	VAL	0	-0.032	-0.014	49.803	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	1923	LEU	0	-0.022	-0.013	48.417	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	1924	GLN	0	-0.049	-0.027	52.530	-0.002	-0.002	0.000	0.000	0.000	0.000
244	A	1925	HIS	0	-0.019	-0.012	56.066	-0.002	-0.002	0.000	0.000	0.000	0.000
245	A	1926	ASP	-1	-0.820	-0.895	52.581	0.038	0.038	0.000	0.000	0.000	0.000
246	A	1927	PHE	0	-0.064	-0.040	50.361	-0.001	-0.001	0.000	0.000	0.000	0.000
247	A	1928	PRO	0	0.076	0.043	54.527	0.001	0.001	0.000	0.000	0.000	0.000
248	A	1929	ILE	0	0.004	-0.010	56.771	0.000	0.000	0.000	0.000	0.000	0.000
249	A	1930	TYR	0	0.017	0.005	48.499	0.001	0.001	0.000	0.000	0.000	0.000
250	A	1931	LEU	0	-0.029	-0.006	52.567	0.001	0.001	0.000	0.000	0.000	0.000
251	A	1932	ASP	-1	-0.740	-0.835	54.609	0.029	0.029	0.000	0.000	0.000	0.000
252	A	1933	LYS	1	0.787	0.889	54.176	-0.031	-0.031	0.000	0.000	0.000	0.000
253	A	1934	PHE	0	-0.007	-0.021	49.174	0.000	0.000	0.000	0.000	0.000	0.000
254	A	1935	ARG	1	0.847	0.904	52.567	-0.029	-0.029	0.000	0.000	0.000	0.000
255	A	1936	VAL	0	0.041	0.025	54.612	0.001	0.001	0.000	0.000	0.000	0.000
256	A	1937	GLN	0	0.037	0.007	49.259	0.001	0.001	0.000	0.000	0.000	0.000
257	A	1938	LEU	0	0.002	0.007	48.373	0.002	0.002	0.000	0.000	0.000	0.000
258	A	1939	CYS	0	0.000	0.011	50.716	0.002	0.002	0.000	0.000	0.000	0.000
259	A	1940	GLN	0	-0.076	-0.048	50.689	0.002	0.002	0.000	0.000	0.000	0.000
260	A	1941	SER	0	-0.085	-0.040	46.568	0.002	0.002	0.000	0.000	0.000	0.000
261	A	1942	LEU	0	0.004	0.015	47.986	0.003	0.003	0.000	0.000	0.000	0.000
262	A	1943	PRO	0	-0.005	0.001	49.570	-0.002	-0.002	0.000	0.000	0.000	0.000
263	A	1944	LEU	0	0.056	0.011	52.292	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	1945	HIS	0	0.011	0.022	55.859	-0.002	-0.002	0.000	0.000	0.000	0.000
265	A	1946	ALA	0	-0.032	0.010	53.006	0.000	0.000	0.000	0.000	0.000	0.000
266	A	1947	THR	0	0.050	0.008	55.079	0.001	0.001	0.000	0.000	0.000	0.000
267	A	1948	GLN	0	0.021	0.023	56.230	0.001	0.001	0.000	0.000	0.000	0.000
268	A	1949	LEU	0	0.006	-0.009	50.357	0.000	0.000	0.000	0.000	0.000	0.000
269	A	1950	VAL	0	0.072	0.030	54.328	0.000	0.000	0.000	0.000	0.000	0.000
270	A	1951	ASN	0	-0.022	-0.019	56.020	-0.002	-0.002	0.000	0.000	0.000	0.000
271	A	1952	LEU	0	-0.042	-0.016	54.287	-0.001	-0.001	0.000	0.000	0.000	0.000
272	A	1953	ILE	0	-0.005	0.005	52.485	0.000	0.000	0.000	0.000	0.000	0.000
273	A	1954	LEU	0	-0.035	-0.014	56.345	-0.001	-0.001	0.000	0.000	0.000	0.000
274	A	1955	ALA	0	-0.015	-0.008	59.909	-0.001	-0.001	0.000	0.000	0.000	0.000
275	A	1956	ALA	0	0.006	0.014	58.182	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	1957	ILE	0	0.014	-0.003	60.299	-0.001	-0.001	0.000	0.000	0.000	0.000
277	A	1958	PRO	0	-0.024	-0.006	61.648	0.001	0.001	0.000	0.000	0.000	0.000
278	A	1959	PRO	0	0.044	0.007	60.959	-0.001	-0.001	0.000	0.000	0.000	0.000
279	A	1960	ASN	0	-0.016	-0.013	63.833	0.000	0.000	0.000	0.000	0.000	0.000
280	A	1961	CYS	0	-0.075	-0.007	66.283	-0.001	-0.001	0.000	0.000	0.000	0.000
281	A	1962	ASN	0	0.017	-0.006	68.236	0.000	0.000	0.000	0.000	0.000	0.000
282	A	1963	SER	0	-0.041	-0.024	71.189	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	1964	LEU	0	-0.025	-0.004	68.045	0.000	0.000	0.000	0.000	0.000	0.000
284	A	1965	ALA	0	0.024	0.020	71.804	0.000	0.000	0.000	0.000	0.000	0.000
285	A	1966	ASP	-1	-0.836	-0.922	74.449	0.022	0.022	0.000	0.000	0.000	0.000
286	A	1967	PRO	0	-0.011	-0.020	73.374	-0.001	-0.001	0.000	0.000	0.000	0.000
287	A	1968	PHE	0	0.007	-0.002	75.129	0.000	0.000	0.000	0.000	0.000	0.000
288	A	1969	GLN	0	-0.007	0.011	79.081	0.000	0.000	0.000	0.000	0.000	0.000
289	A	1970	ALA	0	-0.014	-0.030	81.219	0.000	0.000	0.000	0.000	0.000	0.000
290	A	1971	GLY	0	0.038	0.028	84.546	0.000	0.000	0.000	0.000	0.000	0.000
291	A	1972	LEU	0	-0.034	-0.005	77.258	0.000	0.000	0.000	0.000	0.000	0.000
292	A	1973	LYS	1	0.931	0.962	81.799	-0.017	-0.017	0.000	0.000	0.000	0.000
293	A	1974	VAL	0	0.085	0.036	75.727	0.000	0.000	0.000	0.000	0.000	0.000
294	A	1975	ASP	-1	-0.813	-0.899	77.970	0.017	0.017	0.000	0.000	0.000	0.000
295	A	1976	LYS	1	0.772	0.875	79.996	-0.016	-0.016	0.000	0.000	0.000	0.000
296	A	1977	ILE	0	0.034	0.023	74.632	0.000	0.000	0.000	0.000	0.000	0.000
297	A	1978	PRO	0	-0.008	-0.003	75.209	0.000	0.000	0.000	0.000	0.000	0.000
298	A	1979	ASP	-1	-0.754	-0.890	70.461	0.020	0.020	0.000	0.000	0.000	0.000
299	A	1980	MET	0	-0.084	-0.011	70.959	0.001	0.001	0.000	0.000	0.000	0.000
300	A	1981	LYS	1	0.868	0.922	72.954	-0.018	-0.018	0.000	0.000	0.000	0.000
301	A	1982	GLU	-1	-0.890	-0.926	68.514	0.019	0.019	0.000	0.000	0.000	0.000
302	A	1983	ARG	1	0.830	0.882	61.211	-0.023	-0.023	0.000	0.000	0.000	0.000
303	A	1984	PRO	0	-0.020	0.015	62.357	0.000	0.000	0.000	0.000	0.000	0.000
304	A	1985	PRO	0	-0.013	-0.006	58.477	0.000	0.000	0.000	0.000	0.000	0.000
305	A	1986	THR	0	0.021	-0.015	57.405	0.001	0.001	0.000	0.000	0.000	0.000
306	A	1987	ALA	0	-0.009	-0.001	52.075	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	1988	PHE	0	-0.073	-0.030	52.906	0.001	0.001	0.000	0.000	0.000	0.000
308	A	1989	ASP	-1	-0.821	-0.909	52.790	0.028	0.028	0.000	0.000	0.000	0.000
309	A	1990	SER	0	-0.010	-0.001	54.666	0.000	0.000	0.000	0.000	0.000	0.000
310	A	1991	ALA	0	0.016	-0.008	57.316	0.000	0.000	0.000	0.000	0.000	0.000
311	A	1992	GLY	0	0.004	-0.009	54.573	-0.001	-0.001	0.000	0.000	0.000	0.000
312	A	1993	LEU	0	-0.018	0.000	52.034	0.000	0.000	0.000	0.000	0.000	0.000
313	A	1994	LEU	0	0.010	-0.004	54.194	0.000	0.000	0.000	0.000	0.000	0.000
314	A	1995	ARG	1	0.937	0.976	56.075	-0.025	-0.025	0.000	0.000	0.000	0.000
315	A	1996	GLU	-1	-0.941	-0.961	49.630	0.031	0.031	0.000	0.000	0.000	0.000
316	A	1997	ALA	0	-0.062	-0.026	53.231	0.001	0.001	0.000	0.000	0.000	0.000
317	A	1998	GLY	0	-0.008	0.010	54.984	0.000	0.000	0.000	0.000	0.000	0.000
318	A	1999	LEU	0	-0.019	-0.023	57.809	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	2000	LEU	0	-0.059	-0.031	59.718	0.000	0.000	0.000	0.000	0.000	0.000
320	A	2001	ASP	-1	-0.892	-0.950	61.484	0.021	0.021	0.000	0.000	0.000	0.000
321	A	2002	ILE	0	-0.013	-0.009	63.557	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	2003	LEU	0	0.037	0.021	63.346	0.000	0.000	0.000	0.000	0.000	0.000
323	A	2004	GLU	-1	-0.839	-0.925	64.578	0.020	0.020	0.000	0.000	0.000	0.000
324	A	2005	ARG	1	0.885	0.957	67.676	-0.019	-0.019	0.000	0.000	0.000	0.000
325	A	2006	MET	0	-0.046	-0.006	68.795	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	2007	LEU	0	-0.021	-0.001	67.362	0.000	0.000	0.000	0.000	0.000	0.000
327	A	2008	GLN	0	-0.041	-0.013	71.518	-0.001	-0.001	0.000	0.000	0.000	0.000
328	A	2009	ASN	0	-0.055	-0.034	73.827	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	2010	GLY	0	-0.040	0.002	74.813	0.000	0.000	0.000	0.000	0.000	0.000
330	A	2011	PRO	0	0.014	0.007	73.091	0.000	0.000	0.000	0.000	0.000	0.000
331	A	2012	SER	0	-0.031	-0.016	72.006	0.000	0.000	0.000	0.000	0.000	0.000
332	A	2013	GLU	-1	-0.853	-0.939	71.800	0.020	0.020	0.000	0.000	0.000	0.000
333	A	2014	ASP	-1	-0.876	-0.954	69.105	0.020	0.020	0.000	0.000	0.000	0.000
334	A	2015	GLY	0	0.010	-0.012	68.076	0.001	0.001	0.000	0.000	0.000	0.000
335	A	2016	VAL	0	0.037	0.009	66.824	0.001	0.001	0.000	0.000	0.000	0.000
336	A	2017	ALA	0	0.018	0.018	66.303	0.001	0.001	0.000	0.000	0.000	0.000
337	A	2018	GLN	0	-0.028	-0.015	63.098	0.001	0.001	0.000	0.000	0.000	0.000
338	A	2019	ILE	0	0.005	-0.006	62.295	0.001	0.001	0.000	0.000	0.000	0.000
339	A	2020	ASN	0	0.062	0.021	61.507	0.002	0.002	0.000	0.000	0.000	0.000
340	A	2021	HIS	0	-0.008	0.016	59.031	0.002	0.002	0.000	0.000	0.000	0.000
341	A	2022	ALA	0	0.003	0.002	57.746	0.001	0.001	0.000	0.000	0.000	0.000
342	A	2023	ILE	0	-0.048	-0.020	56.802	0.002	0.002	0.000	0.000	0.000	0.000
343	A	2024	ASN	0	-0.049	-0.058	57.068	0.002	0.002	0.000	0.000	0.000	0.000
344	A	2025	LYS	1	0.834	0.953	53.073	-0.035	-0.035	0.000	0.000	0.000	0.000
345	A	2026	SER	0	0.003	-0.020	51.277	0.001	0.001	0.000	0.000	0.000	0.000
346	A	2027	ASP	-1	-0.824	-0.896	49.227	0.040	0.040	0.000	0.000	0.000	0.000
347	A	2028	GLY	0	0.021	0.029	48.216	-0.002	-0.002	0.000	0.000	0.000	0.000
348	A	2029	GLU	-1	-0.931	-0.973	47.565	0.043	0.043	0.000	0.000	0.000	0.000
349	A	2030	SER	0	-0.048	-0.039	49.906	-0.002	-0.002	0.000	0.000	0.000	0.000
350	A	2031	THR	0	-0.011	0.000	52.601	0.001	0.001	0.000	0.000	0.000	0.000
351	A	2032	SER	0	-0.019	0.001	53.623	-0.001	-0.001	0.000	0.000	0.000	0.000
352	A	2033	PHE	0	-0.002	-0.006	55.996	-0.001	-0.001	0.000	0.000	0.000	0.000
353	A	2034	GLY	0	-0.013	-0.003	56.365	0.001	0.001	0.000	0.000	0.000	0.000
354	A	2035	TYR	0	-0.053	-0.046	53.384	0.000	0.000	0.000	0.000	0.000	0.000
355	A	2036	VAL	0	0.012	0.002	56.304	-0.001	-0.001	0.000	0.000	0.000	0.000
356	A	2037	PRO	0	-0.005	0.019	55.265	0.002	0.002	0.000	0.000	0.000	0.000
357	A	2038	LEU	0	0.006	-0.016	51.810	-0.001	-0.001	0.000	0.000	0.000	0.000
358	A	2039	GLY	0	0.002	0.017	52.881	0.000	0.000	0.000	0.000	0.000	0.000
359	A	2040	VAL	0	0.032	0.014	53.942	-0.001	-0.001	0.000	0.000	0.000	0.000
360	A	2041	ASN	0	-0.019	-0.008	52.769	0.002	0.002	0.000	0.000	0.000	0.000
361	A	2042	ARG	1	0.898	0.941	51.847	-0.046	-0.046	0.000	0.000	0.000	0.000
362	A	2043	ARG	1	0.961	0.969	46.694	-0.051	-0.051	0.000	0.000	0.000	0.000
363	A	2044	LEU	0	0.037	0.021	53.874	-0.001	-0.001	0.000	0.000	0.000	0.000
364	A	2045	ILE	0	0.033	0.022	56.229	-0.002	-0.002	0.000	0.000	0.000	0.000
365	A	2046	ASP	-1	-0.819	-0.886	55.761	0.036	0.036	0.000	0.000	0.000	0.000
366	A	2047	ALA	0	-0.077	-0.029	56.494	-0.001	-0.001	0.000	0.000	0.000	0.000
367	A	2048	VAL	0	0.030	0.005	58.453	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	2049	VAL	0	0.026	0.015	61.737	-0.001	-0.001	0.000	0.000	0.000	0.000
369	A	2050	ALA	0	0.006	-0.001	60.413	-0.001	-0.001	0.000	0.000	0.000	0.000
370	A	2051	ARG	1	0.838	0.910	60.921	-0.025	-0.025	0.000	0.000	0.000	0.000
371	A	2052	PHE	0	0.019	0.003	64.175	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	2053	ALA	0	0.012	0.022	65.616	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	2054	GLU	-1	-0.802	-0.857	63.212	0.023	0.023	0.000	0.000	0.000	0.000
374	A	2055	PHE	0	-0.016	-0.001	66.634	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	2056	ALA	0	-0.006	0.001	69.506	-0.001	-0.001	0.000	0.000	0.000	0.000
376	A	2057	ILE	0	-0.005	-0.006	67.739	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	2058	ASN	0	0.019	0.003	68.328	0.000	0.000	0.000	0.000	0.000	0.000
378	A	2059	ARG	1	0.816	0.896	71.794	-0.019	-0.019	0.000	0.000	0.000	0.000
379	A	2060	ALA	0	-0.036	-0.008	74.194	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	2061	SER	0	-0.048	-0.025	73.374	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	2062	SER	0	-0.032	-0.002	75.479	-0.001	-0.001	0.000	0.000	0.000	0.000
382	A	2063	ARG	1	0.820	0.879	77.746	-0.016	-0.016	0.000	0.000	0.000	0.000
383	A	2064	SER	0	0.023	0.006	80.342	0.000	0.000	0.000	0.000	0.000	0.000
384	A	2065	ASP	-1	-0.811	-0.883	81.297	0.015	0.015	0.000	0.000	0.000	0.000
385	A	2066	SER	0	-0.057	-0.011	78.271	0.000	0.000	0.000	0.000	0.000	0.000
386	A	2067	ALA	0	-0.014	-0.003	77.931	0.001	0.001	0.000	0.000	0.000	0.000
387	A	2068	ILE	0	0.001	0.000	71.786	0.000	0.000	0.000	0.000	0.000	0.000
388	A	2069	PHE	0	0.022	0.023	74.269	0.000	0.000	0.000	0.000	0.000	0.000
389	A	2070	VAL	0	-0.043	-0.026	76.234	-0.001	-0.001	0.000	0.000	0.000	0.000
390	A	2071	ALA	0	0.083	0.032	78.080	0.000	0.000	0.000	0.000	0.000	0.000
391	A	2072	GLY	0	0.013	0.015	80.223	0.000	0.000	0.000	0.000	0.000	0.000
392	A	2073	ALA	0	-0.039	-0.008	76.898	0.000	0.000	0.000	0.000	0.000	0.000
393	A	2074	ASN	0	0.063	0.014	75.642	0.000	0.000	0.000	0.000	0.000	0.000
394	A	2075	ASP	-1	-0.753	-0.860	71.650	0.019	0.019	0.000	0.000	0.000	0.000
395	A	2076	ILE	0	0.044	0.027	72.484	0.001	0.001	0.000	0.000	0.000	0.000
396	A	2077	LYS	1	0.927	0.962	74.595	-0.016	-0.016	0.000	0.000	0.000	0.000
397	A	2078	THR	0	-0.054	-0.049	70.038	0.000	0.000	0.000	0.000	0.000	0.000
398	A	2079	LEU	0	-0.037	-0.022	68.040	0.001	0.001	0.000	0.000	0.000	0.000
399	A	2080	GLN	0	0.012	0.015	70.954	0.001	0.001	0.000	0.000	0.000	0.000
400	A	2081	MET	0	0.009	0.010	72.732	0.000	0.000	0.000	0.000	0.000	0.000
401	A	2082	LEU	0	-0.063	-0.024	65.485	0.001	0.001	0.000	0.000	0.000	0.000
402	A	2083	VAL	0	-0.005	-0.022	68.305	0.001	0.001	0.000	0.000	0.000	0.000
403	A	2084	THR	0	-0.041	-0.022	69.434	0.001	0.001	0.000	0.000	0.000	0.000
404	A	2085	GLU	-1	-0.896	-0.946	69.926	0.022	0.022	0.000	0.000	0.000	0.000
405	A	2086	VAL	0	-0.087	-0.026	63.930	0.001	0.001	0.000	0.000	0.000	0.000
406	A	2087	SER	0	0.004	0.006	62.028	0.000	0.000	0.000	0.000	0.000	0.000
407	A	2088	PRO	0	0.069	0.022	64.584	0.000	0.000	0.000	0.000	0.000	0.000
408	A	2089	GLU	-1	-0.892	-0.960	57.360	0.039	0.039	0.000	0.000	0.000	0.000
409	A	2090	ALA	0	0.016	-0.002	60.515	0.001	0.001	0.000	0.000	0.000	0.000
410	A	2091	ARG	1	0.859	0.932	61.529	-0.025	-0.025	0.000	0.000	0.000	0.000
411	A	2092	TYR	0	-0.010	-0.006	59.651	-0.001	-0.001	0.000	0.000	0.000	0.000
412	A	2093	TYR	0	-0.024	-0.022	55.672	0.001	0.001	0.000	0.000	0.000	0.000
413	A	2094	LEU	0	-0.006	0.005	60.506	0.000	0.000	0.000	0.000	0.000	0.000
414	A	2095	VAL	0	0.037	0.014	63.174	-0.001	-0.001	0.000	0.000	0.000	0.000
415	A	2096	SER	0	-0.025	-0.030	60.713	0.000	0.000	0.000	0.000	0.000	0.000
416	A	2097	SER	0	-0.074	-0.038	59.602	0.000	0.000	0.000	0.000	0.000	0.000
417	A	2098	MET	0	-0.002	0.002	61.631	-0.001	-0.001	0.000	0.000	0.000	0.000
418	A	2099	VAL	0	0.000	-0.006	64.476	0.000	0.000	0.000	0.000	0.000	0.000
419	A	2100	ASN	0	-0.013	-0.004	58.536	0.000	0.000	0.000	0.000	0.000	0.000
420	A	2101	GLU	-1	-0.816	-0.897	60.249	0.031	0.031	0.000	0.000	0.000	0.000
421	A	2102	LEU	0	-0.064	-0.003	63.605	-0.001	-0.001	0.000	0.000	0.000	0.000
422	A	2103	ARG	1	0.786	0.883	60.597	-0.030	-0.030	0.000	0.000	0.000	0.000
423	A	2104	TYR	0	-0.023	-0.022	62.309	-0.001	-0.001	0.000	0.000	0.000	0.000
424	A	2105	PRO	0	0.005	-0.006	66.955	0.000	0.000	0.000	0.000	0.000	0.000
425	A	2106	ASN	0	0.064	0.042	64.915	0.000	0.000	0.000	0.000	0.000	0.000
426	A	2107	ALA	0	0.041	0.016	68.192	0.000	0.000	0.000	0.000	0.000	0.000
427	A	2108	TYR	0	-0.046	-0.057	62.174	0.000	0.000	0.000	0.000	0.000	0.000
428	A	2109	THR	0	-0.010	-0.016	67.043	0.000	0.000	0.000	0.000	0.000	0.000
429	A	2110	ASN	0	-0.021	-0.027	68.518	0.000	0.000	0.000	0.000	0.000	0.000
430	A	2111	TYR	0	-0.033	-0.014	68.965	0.000	0.000	0.000	0.000	0.000	0.000
431	A	2112	PHE	0	0.042	-0.002	64.986	0.000	0.000	0.000	0.000	0.000	0.000
432	A	2113	SER	0	-0.052	-0.016	69.931	0.000	0.000	0.000	0.000	0.000	0.000
433	A	2114	GLN	0	-0.011	-0.012	72.420	0.000	0.000	0.000	0.000	0.000	0.000
434	A	2115	ALA	0	-0.004	-0.007	71.341	0.000	0.000	0.000	0.000	0.000	0.000
435	A	2116	LEU	0	0.002	0.001	69.370	0.000	0.000	0.000	0.000	0.000	0.000
436	A	2117	LEU	0	-0.041	-0.020	72.535	0.000	0.000	0.000	0.000	0.000	0.000
437	A	2118	ASP	-1	-0.958	-0.981	76.082	0.018	0.018	0.000	0.000	0.000	0.000
438	A	2119	ILE	0	0.022	0.010	71.241	0.000	0.000	0.000	0.000	0.000	0.000
439	A	2120	PHE	0	-0.061	-0.024	74.653	0.000	0.000	0.000	0.000	0.000	0.000
440	A	2121	GLY	0	-0.020	-0.033	76.603	0.000	0.000	0.000	0.000	0.000	0.000
441	A	2122	HIS	0	-0.049	-0.012	78.058	-0.001	-0.001	0.000	0.000	0.000	0.000
442	A	2123	ASP	-1	-0.903	-0.950	79.629	0.018	0.018	0.000	0.000	0.000	0.000
443	A	2124	MET	0	-0.033	-0.007	81.347	0.001	0.001	0.000	0.000	0.000	0.000
444	A	2125	SER	0	-0.046	-0.025	82.632	0.000	0.000	0.000	0.000	0.000	0.000
445	A	2126	ASP	-1	-0.859	-0.933	80.061	0.019	0.019	0.000	0.000	0.000	0.000
446	A	2127	PRO	0	-0.035	-0.020	80.281	0.000	0.000	0.000	0.000	0.000	0.000
447	A	2128	GLU	-1	-0.836	-0.934	73.296	0.024	0.024	0.000	0.000	0.000	0.000
448	A	2129	GLU	-1	-0.770	-0.881	75.532	0.022	0.022	0.000	0.000	0.000	0.000
449	A	2130	ASN	0	-0.051	-0.036	76.244	0.000	0.000	0.000	0.000	0.000	0.000
450	A	2131	LEU	0	-0.027	-0.003	71.937	0.001	0.001	0.000	0.000	0.000	0.000
451	A	2132	VAL	0	0.026	0.013	71.242	0.001	0.001	0.000	0.000	0.000	0.000
452	A	2133	ARG	1	0.900	0.966	71.934	-0.020	-0.020	0.000	0.000	0.000	0.000
453	A	2134	GLU	-1	-0.845	-0.911	71.457	0.026	0.026	0.000	0.000	0.000	0.000
454	A	2135	GLN	0	-0.044	-0.024	65.761	0.001	0.001	0.000	0.000	0.000	0.000
455	A	2136	ILE	0	0.008	0.003	68.202	0.001	0.001	0.000	0.000	0.000	0.000
456	A	2137	VAL	0	-0.009	0.000	69.488	0.001	0.001	0.000	0.000	0.000	0.000
457	A	2138	ARG	1	0.843	0.920	66.495	-0.028	-0.028	0.000	0.000	0.000	0.000
458	A	2139	VAL	0	0.008	0.010	64.048	0.001	0.001	0.000	0.000	0.000	0.000
459	A	2140	LEU	0	-0.004	-0.011	65.758	0.001	0.001	0.000	0.000	0.000	0.000
460	A	2141	LEU	0	-0.025	-0.012	68.061	0.000	0.000	0.000	0.000	0.000	0.000
461	A	2142	GLU	-1	-0.869	-0.937	60.796	0.037	0.037	0.000	0.000	0.000	0.000
462	A	2143	ARG	1	0.838	0.902	60.909	-0.034	-0.034	0.000	0.000	0.000	0.000
463	A	2144	VAL	0	0.016	0.016	64.727	0.000	0.000	0.000	0.000	0.000	0.000
464	A	2145	LEU	0	-0.003	0.016	65.336	0.000	0.000	0.000	0.000	0.000	0.000
465	A	2146	GLY	0	0.002	0.003	63.530	0.000	0.000	0.000	0.000	0.000	0.000
466	A	2147	TYR	0	-0.023	-0.029	64.212	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	2148	TRP	0	-0.013	-0.007	60.444	0.002	0.002	0.000	0.000	0.000	0.000
468	A	2149	PRO	0	0.003	-0.005	62.824	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	2150	GLN	0	0.028	0.032	63.857	0.001	0.001	0.000	0.000	0.000	0.000
470	A	2151	PRO	0	0.027	0.014	63.355	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	2152	TRP	0	0.008	-0.016	65.917	0.000	0.000	0.000	0.000	0.000	0.000
472	A	2153	GLY	0	0.006	-0.021	68.349	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	2154	LEU	0	-0.003	0.009	65.900	0.000	0.000	0.000	0.000	0.000	0.000
474	A	2155	ILE	0	0.005	-0.003	69.174	0.000	0.000	0.000	0.000	0.000	0.000
475	A	2156	ILE	0	-0.007	-0.002	72.124	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	2157	THR	0	0.062	0.036	71.791	-0.001	-0.001	0.000	0.000	0.000	0.000
477	A	2158	ILE	0	0.005	0.003	70.251	0.000	0.000	0.000	0.000	0.000	0.000
478	A	2159	LEU	0	-0.003	-0.004	74.583	-0.001	-0.001	0.000	0.000	0.000	0.000
479	A	2160	GLU	-1	-0.892	-0.923	77.359	0.018	0.018	0.000	0.000	0.000	0.000
480	A	2161	LEU	0	-0.034	-0.021	74.838	0.000	0.000	0.000	0.000	0.000	0.000
481	A	2162	LEU	0	-0.073	-0.034	77.076	0.000	0.000	0.000	0.000	0.000	0.000
482	A	2163	LYS	1	0.879	0.922	80.264	-0.019	-0.019	0.000	0.000	0.000	0.000
483	A	2164	ASN	0	-0.072	-0.031	82.417	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	2165	ASP	-1	-0.869	-0.936	84.136	0.017	0.017	0.000	0.000	0.000	0.000
485	A	2166	LYS	1	0.895	0.951	83.145	-0.017	-0.017	0.000	0.000	0.000	0.000
486	A	2167	TYR	0	0.019	-0.003	80.343	0.000	0.000	0.000	0.000	0.000	0.000
487	A	2168	LEU	0	0.018	0.010	81.757	0.000	0.000	0.000	0.000	0.000	0.000
488	A	2169	PHE	0	0.042	0.019	74.958	0.000	0.000	0.000	0.000	0.000	0.000
489	A	2170	PHE	0	0.024	-0.002	79.646	0.001	0.001	0.000	0.000	0.000	0.000
490	A	2171	GLU	-1	-1.007	-1.021	81.827	0.018	0.018	0.000	0.000	0.000	0.000
491	A	2172	LEU	0	0.053	0.045	76.416	0.000	0.000	0.000	0.000	0.000	0.000
492	A	2173	PRO	0	0.014	-0.011	78.246	0.000	0.000	0.000	0.000	0.000	0.000
493	A	2174	PHE	0	0.035	0.025	70.208	0.001	0.001	0.000	0.000	0.000	0.000
494	A	2175	ILE	0	-0.028	-0.021	75.324	0.001	0.001	0.000	0.000	0.000	0.000
495	A	2176	LYS	1	0.870	0.950	77.226	-0.020	-0.020	0.000	0.000	0.000	0.000
496	A	2177	ALA	0	-0.025	0.016	74.818	0.000	0.000	0.000	0.000	0.000	0.000
497	A	2178	THR	0	-0.014	-0.019	71.178	0.001	0.001	0.000	0.000	0.000	0.000
498	A	2179	PRO	0	0.019	0.017	74.521	0.000	0.000	0.000	0.000	0.000	0.000
499	A	2180	GLU	-1	-0.881	-0.955	71.884	0.026	0.026	0.000	0.000	0.000	0.000
500	A	2181	VAL	0	-0.010	-0.011	70.338	0.000	0.000	0.000	0.000	0.000	0.000
501	A	2182	ALA	0	0.045	0.032	72.920	0.000	0.000	0.000	0.000	0.000	0.000
502	A	2183	GLU	-1	-0.967	-0.961	74.478	0.025	0.025	0.000	0.000	0.000	0.000
503	A	2184	ARG	1	0.908	0.959	68.455	-0.029	-0.029	0.000	0.000	0.000	0.000
504	A	2185	PHE	0	0.009	-0.012	72.063	0.000	0.000	0.000	0.000	0.000	0.000
505	A	2186	THR	0	-0.041	-0.038	75.608	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	2187	ALA	0	-0.020	-0.006	75.895	-0.001	-0.001	0.000	0.000	0.000	0.000
507	A	2188	LEU	0	-0.005	0.011	73.239	0.000	0.000	0.000	0.000	0.000	0.000
508	A	2189	ALA	0	0.014	-0.003	76.710	0.000	0.000	0.000	0.000	0.000	0.000
509	A	2190	ARG	1	0.897	0.948	80.025	-0.021	-0.021	0.000	0.000	0.000	0.000
510	A	2191	SER	0	-0.035	-0.013	77.825	0.000	0.000	0.000	0.000	0.000	0.000
511	A	2192	ALA	0	-0.029	0.002	79.595	0.000	0.000	0.000	0.000	0.000	0.000
512	A	2193	ALA	0	-0.084	-0.022	80.630	-0.001	-0.001	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Data Search

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:1674:LEU)