FMO DATABASE

FMODB ID: 6Y71Z

Calculation Name: 1UYV-B-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1UYV

Chain ID: B

ChEMBL ID:

UniProt ID: Q00955

Base Structure: X-ray

Registration Date: 2023-09-23

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	552
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-11834375.769424
FMO2-HF: Nuclear repulsion	11617096.339727
FMO2-HF: Total energy	-217279.429697
FMO2-MP2: Total energy	-217919.310025

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(B:1482:PRO)

Summations of interaction energy for fragment #1(B:1482:PRO)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-0.869	1.972	1.22	-1.292	-2.769	-0.001

Interaction energy analysis for fragmet #1(B:1482:PRO)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.057 / q_NPA : 0.012

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	B	1484	ALA	0	-0.015	-0.006	3.713	-0.688	0.887	-0.012	-0.685	-0.878	0.002
4	B	1485	THR	0	0.032	0.014	2.926	-0.322	0.186	0.226	-0.192	-0.541	-0.001
5	B	1486	PRO	0	-0.016	-0.016	5.733	0.058	0.058	0.000	0.000	0.000	0.000
6	B	1487	TYR	0	0.034	0.019	8.093	0.008	0.008	0.000	0.000	0.000	0.000
7	B	1488	PRO	0	0.006	0.006	7.312	-0.138	-0.138	0.000	0.000	0.000	0.000
8	B	1489	VAL	0	0.054	0.032	2.411	-0.493	0.037	1.008	-0.394	-1.144	-0.002
9	B	1490	LYS	1	0.889	0.923	5.464	-0.136	-0.136	0.000	0.000	0.000	0.000
10	B	1491	GLU	-1	-0.872	-0.954	4.739	0.793	0.868	-0.001	-0.003	-0.071	0.000
11	B	1492	TRP	0	-0.034	0.003	4.206	-0.249	-0.096	-0.001	-0.018	-0.135	0.000
12	B	1493	LEU	0	-0.021	-0.012	6.132	0.021	0.021	0.000	0.000	0.000	0.000
13	B	1494	GLN	0	0.016	-0.003	8.672	0.042	0.042	0.000	0.000	0.000	0.000
14	B	1495	PRO	0	0.088	0.040	8.538	0.068	0.068	0.000	0.000	0.000	0.000
15	B	1496	LYS	1	0.845	0.943	9.545	0.077	0.077	0.000	0.000	0.000	0.000
16	B	1497	ARG	1	0.823	0.909	9.150	-0.032	-0.032	0.000	0.000	0.000	0.000
17	B	1498	TYR	0	0.054	0.040	6.516	-0.054	-0.054	0.000	0.000	0.000	0.000
18	B	1499	LYS	1	0.922	0.955	9.306	-0.070	-0.070	0.000	0.000	0.000	0.000
19	B	1500	ALA	0	-0.006	-0.023	12.377	0.001	0.001	0.000	0.000	0.000	0.000
20	B	1501	HIS	0	0.022	0.016	9.360	-0.079	-0.079	0.000	0.000	0.000	0.000
21	B	1502	LEU	0	-0.042	-0.014	9.702	0.007	0.007	0.000	0.000	0.000	0.000
22	B	1503	MET	0	-0.177	-0.085	12.953	-0.035	-0.035	0.000	0.000	0.000	0.000
23	B	1504	GLY	0	0.008	0.015	15.525	-0.023	-0.023	0.000	0.000	0.000	0.000
24	B	1505	THR	0	-0.017	-0.001	16.487	-0.026	-0.026	0.000	0.000	0.000	0.000
25	B	1506	THR	0	0.014	-0.020	15.982	0.034	0.034	0.000	0.000	0.000	0.000
26	B	1507	TYR	0	-0.046	-0.030	13.911	-0.029	-0.029	0.000	0.000	0.000	0.000
27	B	1508	VAL	0	0.053	0.028	16.010	-0.006	-0.006	0.000	0.000	0.000	0.000
28	B	1509	TYR	0	-0.065	-0.072	16.915	-0.001	-0.001	0.000	0.000	0.000	0.000
29	B	1510	ASP	-1	-0.751	-0.858	13.909	0.114	0.114	0.000	0.000	0.000	0.000
30	B	1511	PHE	0	0.045	0.015	17.322	0.008	0.008	0.000	0.000	0.000	0.000
31	B	1512	PRO	0	-0.012	0.004	20.464	0.001	0.001	0.000	0.000	0.000	0.000
32	B	1513	GLU	-1	-0.775	-0.868	18.001	0.078	0.078	0.000	0.000	0.000	0.000
33	B	1514	LEU	0	0.017	0.015	18.538	0.001	0.001	0.000	0.000	0.000	0.000
34	B	1515	PHE	0	0.017	0.000	21.871	-0.003	-0.003	0.000	0.000	0.000	0.000
35	B	1516	ARG	1	0.776	0.900	21.670	-0.056	-0.056	0.000	0.000	0.000	0.000
36	B	1517	GLN	0	-0.051	-0.056	18.593	0.006	0.006	0.000	0.000	0.000	0.000
37	B	1518	ALA	0	0.040	0.026	24.321	-0.003	-0.003	0.000	0.000	0.000	0.000
38	B	1519	SER	0	-0.027	-0.040	27.025	-0.007	-0.007	0.000	0.000	0.000	0.000
39	B	1520	SER	0	-0.052	-0.034	26.747	-0.007	-0.007	0.000	0.000	0.000	0.000
40	B	1521	SER	0	0.009	-0.006	27.227	-0.004	-0.004	0.000	0.000	0.000	0.000
41	B	1522	GLN	0	-0.013	0.000	29.413	-0.002	-0.002	0.000	0.000	0.000	0.000
42	B	1523	TRP	0	-0.036	-0.044	32.242	-0.004	-0.004	0.000	0.000	0.000	0.000
43	B	1524	LYS	1	0.845	0.950	29.738	-0.050	-0.050	0.000	0.000	0.000	0.000
44	B	1525	ASN	0	0.019	0.011	32.003	-0.001	-0.001	0.000	0.000	0.000	0.000
45	B	1526	PHE	0	-0.050	-0.006	35.000	-0.002	-0.002	0.000	0.000	0.000	0.000
46	B	1527	SER	0	-0.010	-0.017	36.675	-0.003	-0.003	0.000	0.000	0.000	0.000
47	B	1528	ALA	0	0.027	0.012	35.037	0.000	0.000	0.000	0.000	0.000	0.000
48	B	1529	ASP	-1	-0.945	-0.961	34.584	0.036	0.036	0.000	0.000	0.000	0.000
49	B	1530	VAL	0	0.000	-0.003	34.031	-0.003	-0.003	0.000	0.000	0.000	0.000
50	B	1531	LYS	1	0.907	0.943	33.328	-0.013	-0.013	0.000	0.000	0.000	0.000
51	B	1532	LEU	0	-0.003	0.012	29.979	-0.002	-0.002	0.000	0.000	0.000	0.000
52	B	1533	THR	0	-0.012	-0.008	30.238	-0.001	-0.001	0.000	0.000	0.000	0.000
53	B	1534	ASP	-1	-0.745	-0.878	24.621	0.029	0.029	0.000	0.000	0.000	0.000
54	B	1535	ASP	-1	-0.869	-0.924	28.136	0.011	0.011	0.000	0.000	0.000	0.000
55	B	1536	PHE	0	-0.084	-0.055	27.579	-0.001	-0.001	0.000	0.000	0.000	0.000
56	B	1537	PHE	0	0.000	0.001	24.944	0.003	0.003	0.000	0.000	0.000	0.000
57	B	1538	ILE	0	0.027	0.018	27.857	-0.003	-0.003	0.000	0.000	0.000	0.000
58	B	1539	SER	0	-0.004	-0.016	24.815	0.007	0.007	0.000	0.000	0.000	0.000
59	B	1540	ASN	0	0.017	0.015	25.888	-0.003	-0.003	0.000	0.000	0.000	0.000
60	B	1541	GLU	-1	-0.752	-0.846	23.829	0.002	0.002	0.000	0.000	0.000	0.000
61	B	1542	LEU	0	-0.044	-0.015	26.645	-0.004	-0.004	0.000	0.000	0.000	0.000
62	B	1543	ILE	0	-0.009	-0.021	26.992	0.002	0.002	0.000	0.000	0.000	0.000
63	B	1544	GLH	0	-0.093	-0.080	30.102	0.000	0.000	0.000	0.000	0.000	0.000
64	B	1545	ASP	-1	-0.782	-0.875	32.612	-0.010	-0.010	0.000	0.000	0.000	0.000
65	B	1546	GLU	-1	-0.910	-0.964	35.064	-0.017	-0.017	0.000	0.000	0.000	0.000
66	B	1547	ASN	0	-0.135	-0.072	37.465	0.001	0.001	0.000	0.000	0.000	0.000
67	B	1548	GLY	0	0.025	0.014	36.591	0.002	0.002	0.000	0.000	0.000	0.000
68	B	1549	GLU	-1	-0.936	-0.954	37.236	0.005	0.005	0.000	0.000	0.000	0.000
69	B	1550	LEU	0	-0.069	-0.026	32.336	-0.001	-0.001	0.000	0.000	0.000	0.000
70	B	1551	THR	0	-0.003	-0.006	32.673	0.000	0.000	0.000	0.000	0.000	0.000
71	B	1552	GLU	-1	-0.872	-0.938	30.767	0.004	0.004	0.000	0.000	0.000	0.000
72	B	1553	VAL	0	-0.065	-0.029	26.790	-0.004	-0.004	0.000	0.000	0.000	0.000
73	B	1554	GLU	-1	-0.920	-0.958	24.527	-0.011	-0.011	0.000	0.000	0.000	0.000
74	B	1555	ARG	1	0.798	0.889	22.954	0.011	0.011	0.000	0.000	0.000	0.000
75	B	1556	GLU	-1	-0.917	-0.950	18.179	-0.093	-0.093	0.000	0.000	0.000	0.000
76	B	1557	PRO	0	-0.025	-0.042	15.889	0.008	0.008	0.000	0.000	0.000	0.000
77	B	1558	GLY	0	-0.014	0.001	16.384	-0.012	-0.012	0.000	0.000	0.000	0.000
78	B	1559	ALA	0	0.074	0.043	17.430	-0.009	-0.009	0.000	0.000	0.000	0.000
79	B	1560	ASN	0	-0.154	-0.070	20.253	-0.005	-0.005	0.000	0.000	0.000	0.000
80	B	1561	ALA	0	0.058	0.022	22.595	-0.001	-0.001	0.000	0.000	0.000	0.000
81	B	1562	ILE	0	-0.016	0.001	25.204	0.001	0.001	0.000	0.000	0.000	0.000
82	B	1563	GLY	0	-0.005	-0.025	23.799	0.001	0.001	0.000	0.000	0.000	0.000
83	B	1564	MET	0	-0.070	-0.025	24.860	0.010	0.010	0.000	0.000	0.000	0.000
84	B	1565	VAL	0	0.030	0.019	22.189	-0.006	-0.006	0.000	0.000	0.000	0.000
85	B	1566	ALA	0	0.021	-0.010	25.438	0.006	0.006	0.000	0.000	0.000	0.000
86	B	1567	PHE	0	-0.001	0.003	21.756	-0.004	-0.004	0.000	0.000	0.000	0.000
87	B	1568	LYS	1	0.866	0.955	27.676	-0.007	-0.007	0.000	0.000	0.000	0.000
88	B	1569	ILE	0	-0.005	-0.001	26.832	-0.002	-0.002	0.000	0.000	0.000	0.000
89	B	1570	THR	0	-0.007	-0.013	30.373	-0.001	-0.001	0.000	0.000	0.000	0.000
90	B	1571	VAL	0	0.002	0.003	30.309	-0.001	-0.001	0.000	0.000	0.000	0.000
91	B	1572	LYS	1	0.843	0.951	32.806	-0.016	-0.016	0.000	0.000	0.000	0.000
92	B	1573	THR	0	-0.010	-0.024	33.738	0.001	0.001	0.000	0.000	0.000	0.000
93	B	1574	PRO	0	0.032	0.003	35.461	-0.003	-0.003	0.000	0.000	0.000	0.000
94	B	1575	GLU	-1	-0.738	-0.832	37.791	0.035	0.035	0.000	0.000	0.000	0.000
95	B	1576	TYR	0	-0.026	0.000	38.948	-0.003	-0.003	0.000	0.000	0.000	0.000
96	B	1577	PRO	0	0.053	0.034	38.654	-0.001	-0.001	0.000	0.000	0.000	0.000
97	B	1578	ARG	1	0.890	0.928	38.653	-0.012	-0.012	0.000	0.000	0.000	0.000
98	B	1579	GLY	0	-0.027	-0.013	36.723	-0.002	-0.002	0.000	0.000	0.000	0.000
99	B	1580	ARG	1	0.782	0.877	35.624	-0.035	-0.035	0.000	0.000	0.000	0.000
100	B	1581	GLN	0	-0.002	-0.012	34.661	0.000	0.000	0.000	0.000	0.000	0.000
101	B	1582	PHE	0	0.000	-0.002	29.515	0.000	0.000	0.000	0.000	0.000	0.000
102	B	1583	VAL	0	-0.003	0.003	31.548	-0.001	-0.001	0.000	0.000	0.000	0.000
103	B	1584	VAL	0	0.012	0.017	26.027	0.004	0.004	0.000	0.000	0.000	0.000
104	B	1585	VAL	0	-0.002	0.001	28.230	-0.004	-0.004	0.000	0.000	0.000	0.000
105	B	1586	ALA	0	0.035	0.026	24.080	0.006	0.006	0.000	0.000	0.000	0.000
106	B	1587	ASN	0	0.069	0.045	24.883	-0.004	-0.004	0.000	0.000	0.000	0.000
107	B	1588	ASP	-1	-0.725	-0.837	18.949	0.058	0.058	0.000	0.000	0.000	0.000
108	B	1589	ILE	0	0.049	0.010	17.800	-0.007	-0.007	0.000	0.000	0.000	0.000
109	B	1590	THR	0	-0.119	-0.093	15.042	-0.004	-0.004	0.000	0.000	0.000	0.000
110	B	1591	PHE	0	-0.023	0.012	17.967	-0.012	-0.012	0.000	0.000	0.000	0.000
111	B	1592	LYS	1	0.932	0.967	20.972	-0.001	-0.001	0.000	0.000	0.000	0.000
112	B	1593	ILE	0	0.017	0.014	20.500	0.001	0.001	0.000	0.000	0.000	0.000
113	B	1594	GLY	0	0.073	0.065	22.191	0.005	0.005	0.000	0.000	0.000	0.000
114	B	1595	SER	0	-0.082	-0.041	24.095	-0.003	-0.003	0.000	0.000	0.000	0.000
115	B	1596	PHE	0	0.005	-0.003	27.323	-0.001	-0.001	0.000	0.000	0.000	0.000
116	B	1597	GLY	0	0.026	0.006	30.529	-0.001	-0.001	0.000	0.000	0.000	0.000
117	B	1598	PRO	0	0.034	0.005	31.907	0.001	0.001	0.000	0.000	0.000	0.000
118	B	1599	GLN	0	0.030	0.010	30.886	0.000	0.000	0.000	0.000	0.000	0.000
119	B	1600	GLU	-1	-0.750	-0.834	27.668	0.016	0.016	0.000	0.000	0.000	0.000
120	B	1601	ASP	-1	-0.846	-0.932	30.815	0.026	0.026	0.000	0.000	0.000	0.000
121	B	1602	GLU	-1	-0.862	-0.916	34.114	0.008	0.008	0.000	0.000	0.000	0.000
122	B	1603	PHE	0	0.026	0.023	28.642	0.000	0.000	0.000	0.000	0.000	0.000
123	B	1604	PHE	0	0.019	-0.004	31.122	0.001	0.001	0.000	0.000	0.000	0.000
124	B	1605	ASN	0	-0.042	-0.041	33.204	0.002	0.002	0.000	0.000	0.000	0.000
125	B	1606	LYS	1	0.890	0.941	35.411	-0.004	-0.004	0.000	0.000	0.000	0.000
126	B	1607	VAL	0	0.006	-0.014	31.274	0.000	0.000	0.000	0.000	0.000	0.000
127	B	1608	THR	0	-0.062	-0.037	34.626	0.002	0.002	0.000	0.000	0.000	0.000
128	B	1609	GLU	-1	-0.900	-0.945	36.937	0.012	0.012	0.000	0.000	0.000	0.000
129	B	1610	TYR	0	0.015	0.009	35.094	0.000	0.000	0.000	0.000	0.000	0.000
130	B	1611	ALA	0	0.024	0.012	36.216	-0.001	-0.001	0.000	0.000	0.000	0.000
131	B	1612	ARG	1	0.882	0.929	38.208	-0.019	-0.019	0.000	0.000	0.000	0.000
132	B	1613	LYS	1	0.954	0.987	41.642	-0.007	-0.007	0.000	0.000	0.000	0.000
133	B	1614	ARG	1	0.858	0.929	38.511	-0.011	-0.011	0.000	0.000	0.000	0.000
134	B	1615	GLY	0	-0.017	-0.002	41.984	0.000	0.000	0.000	0.000	0.000	0.000
135	B	1616	ILE	0	-0.046	-0.003	36.387	0.001	0.001	0.000	0.000	0.000	0.000
136	B	1617	PRO	0	0.051	0.022	35.620	0.000	0.000	0.000	0.000	0.000	0.000
137	B	1618	ARG	1	0.897	0.938	33.751	-0.041	-0.041	0.000	0.000	0.000	0.000
138	B	1619	ILE	0	0.015	0.016	29.057	0.002	0.002	0.000	0.000	0.000	0.000
139	B	1620	TYR	0	-0.058	-0.045	28.560	-0.002	-0.002	0.000	0.000	0.000	0.000
140	B	1621	LEU	0	0.018	0.002	23.871	0.003	0.003	0.000	0.000	0.000	0.000
141	B	1622	ALA	0	-0.006	-0.006	26.188	-0.003	-0.003	0.000	0.000	0.000	0.000
142	B	1623	ALA	0	0.022	0.002	22.280	0.009	0.009	0.000	0.000	0.000	0.000
143	B	1624	ASN	0	-0.018	-0.007	24.067	-0.006	-0.006	0.000	0.000	0.000	0.000
144	B	1625	SER	0	-0.004	-0.036	24.422	0.009	0.009	0.000	0.000	0.000	0.000
145	B	1626	GLY	0	0.034	0.036	27.020	-0.004	-0.004	0.000	0.000	0.000	0.000
146	B	1627	ALA	0	0.004	0.004	30.050	-0.002	-0.002	0.000	0.000	0.000	0.000
147	B	1628	ARG	1	0.775	0.849	26.982	-0.021	-0.021	0.000	0.000	0.000	0.000
148	B	1629	ILE	0	-0.006	-0.010	30.415	-0.002	-0.002	0.000	0.000	0.000	0.000
149	B	1630	GLY	0	-0.009	0.009	30.440	-0.001	-0.001	0.000	0.000	0.000	0.000
150	B	1703	GLU	-1	-0.800	-0.901	38.898	0.009	0.009	0.000	0.000	0.000	0.000
151	B	1704	CYS	0	0.031	0.017	34.842	0.001	0.001	0.000	0.000	0.000	0.000
152	B	1705	ILE	0	0.018	0.003	37.336	0.001	0.001	0.000	0.000	0.000	0.000
153	B	1706	ARG	1	0.836	0.906	39.375	-0.009	-0.009	0.000	0.000	0.000	0.000
154	B	1707	GLY	0	0.036	0.025	37.379	0.000	0.000	0.000	0.000	0.000	0.000
155	B	1708	SER	0	0.022	-0.006	36.445	0.002	0.002	0.000	0.000	0.000	0.000
156	B	1709	GLY	0	0.011	0.009	38.075	0.001	0.001	0.000	0.000	0.000	0.000
157	B	1710	LEU	0	-0.023	0.002	38.982	0.000	0.000	0.000	0.000	0.000	0.000
158	B	1711	ILE	0	0.031	0.011	34.333	0.000	0.000	0.000	0.000	0.000	0.000
159	B	1712	ALA	0	0.000	0.020	38.362	0.002	0.002	0.000	0.000	0.000	0.000
160	B	1713	GLY	0	0.028	0.001	40.125	0.001	0.001	0.000	0.000	0.000	0.000
161	B	1714	ALA	0	-0.022	-0.006	39.280	0.000	0.000	0.000	0.000	0.000	0.000
162	B	1715	THR	0	-0.009	-0.023	37.349	0.001	0.001	0.000	0.000	0.000	0.000
163	B	1716	SER	0	-0.037	-0.005	39.734	0.000	0.000	0.000	0.000	0.000	0.000
164	B	1717	ARG	1	0.941	0.962	43.081	-0.018	-0.018	0.000	0.000	0.000	0.000
165	B	1718	ALA	0	-0.018	-0.017	39.765	0.000	0.000	0.000	0.000	0.000	0.000
166	B	1719	TYR	0	-0.045	-0.036	41.509	-0.001	-0.001	0.000	0.000	0.000	0.000
167	B	1720	HIS	0	-0.012	-0.015	42.476	0.000	0.000	0.000	0.000	0.000	0.000
168	B	1721	ASP	-1	-0.851	-0.871	43.872	0.017	0.017	0.000	0.000	0.000	0.000
169	B	1722	ILE	0	-0.047	-0.023	38.454	-0.001	-0.001	0.000	0.000	0.000	0.000
170	B	1723	PHE	0	0.030	0.023	35.879	0.001	0.001	0.000	0.000	0.000	0.000
171	B	1724	THR	0	-0.049	-0.015	36.798	-0.001	-0.001	0.000	0.000	0.000	0.000
172	B	1725	ILE	0	0.030	0.023	32.652	0.001	0.001	0.000	0.000	0.000	0.000
173	B	1726	THR	0	-0.083	-0.037	30.665	-0.001	-0.001	0.000	0.000	0.000	0.000
174	B	1727	LEU	0	0.031	0.036	25.244	0.001	0.001	0.000	0.000	0.000	0.000
175	B	1728	VAL	0	-0.004	-0.010	27.067	-0.001	-0.001	0.000	0.000	0.000	0.000
176	B	1729	THR	0	0.017	0.008	21.934	0.000	0.000	0.000	0.000	0.000	0.000
177	B	1730	CYS	0	-0.053	0.001	20.491	0.010	0.010	0.000	0.000	0.000	0.000
178	B	1731	ARG	1	0.958	0.954	21.555	-0.098	-0.098	0.000	0.000	0.000	0.000
179	B	1732	SER	0	-0.015	0.007	25.968	-0.004	-0.004	0.000	0.000	0.000	0.000
180	B	1733	VAL	0	-0.001	-0.010	28.154	0.000	0.000	0.000	0.000	0.000	0.000
181	B	1734	GLY	0	0.022	0.018	30.961	-0.004	-0.004	0.000	0.000	0.000	0.000
182	B	1735	ILE	0	0.000	-0.002	33.194	0.001	0.001	0.000	0.000	0.000	0.000
183	B	1736	GLY	0	0.047	0.018	31.273	-0.001	-0.001	0.000	0.000	0.000	0.000
184	B	1737	ALA	0	-0.009	-0.006	32.263	0.002	0.002	0.000	0.000	0.000	0.000
185	B	1738	TYR	0	0.005	-0.003	33.989	-0.001	-0.001	0.000	0.000	0.000	0.000
186	B	1739	LEU	0	-0.034	-0.006	33.052	-0.001	-0.001	0.000	0.000	0.000	0.000
187	B	1740	VAL	0	-0.027	-0.011	31.855	0.000	0.000	0.000	0.000	0.000	0.000
188	B	1741	ARG	1	0.935	0.964	34.692	-0.042	-0.042	0.000	0.000	0.000	0.000
189	B	1742	LEU	0	-0.034	-0.016	38.313	-0.002	-0.002	0.000	0.000	0.000	0.000
190	B	1743	GLY	0	-0.002	0.009	37.221	-0.002	-0.002	0.000	0.000	0.000	0.000
191	B	1744	GLN	0	-0.025	-0.018	38.275	0.002	0.002	0.000	0.000	0.000	0.000
192	B	1745	ARG	1	0.849	0.941	37.299	-0.035	-0.035	0.000	0.000	0.000	0.000
193	B	1746	ALA	0	0.002	-0.005	33.666	0.001	0.001	0.000	0.000	0.000	0.000
194	B	1747	ILE	0	-0.009	-0.001	29.663	0.000	0.000	0.000	0.000	0.000	0.000
195	B	1748	GLN	0	-0.015	-0.024	29.339	-0.003	-0.003	0.000	0.000	0.000	0.000
196	B	1749	VAL	0	0.003	0.022	23.157	0.000	0.000	0.000	0.000	0.000	0.000
197	B	1750	GLU	-1	-0.815	-0.917	26.314	0.118	0.118	0.000	0.000	0.000	0.000
198	B	1751	GLY	0	-0.014	-0.012	24.496	0.012	0.012	0.000	0.000	0.000	0.000
199	B	1752	GLN	0	-0.016	0.005	21.683	-0.001	-0.001	0.000	0.000	0.000	0.000
200	B	1753	PRO	0	-0.052	-0.019	25.605	-0.009	-0.009	0.000	0.000	0.000	0.000
201	B	1754	ILE	0	-0.008	-0.004	28.666	-0.001	-0.001	0.000	0.000	0.000	0.000
202	B	1755	ILE	0	-0.019	-0.013	29.519	-0.003	-0.003	0.000	0.000	0.000	0.000
203	B	1756	LEU	0	0.017	0.017	32.957	-0.002	-0.002	0.000	0.000	0.000	0.000
204	B	1757	THR	0	0.016	-0.010	34.271	-0.002	-0.002	0.000	0.000	0.000	0.000
205	B	1758	GLY	0	0.004	0.009	31.204	0.003	0.003	0.000	0.000	0.000	0.000
206	B	1759	ALA	0	0.094	0.026	31.190	-0.004	-0.004	0.000	0.000	0.000	0.000
207	B	1760	PRO	0	0.018	0.013	29.341	-0.004	-0.004	0.000	0.000	0.000	0.000
208	B	1761	ALA	0	-0.007	-0.004	32.613	-0.003	-0.003	0.000	0.000	0.000	0.000
209	B	1762	ILE	0	0.030	0.013	35.020	-0.004	-0.004	0.000	0.000	0.000	0.000
210	B	1763	ASN	0	0.009	0.000	34.533	-0.004	-0.004	0.000	0.000	0.000	0.000
211	B	1764	LYS	1	0.941	0.974	36.178	-0.036	-0.036	0.000	0.000	0.000	0.000
212	B	1765	MET	0	-0.088	-0.045	38.123	-0.003	-0.003	0.000	0.000	0.000	0.000
213	B	1766	LEU	0	-0.037	-0.006	40.370	-0.002	-0.002	0.000	0.000	0.000	0.000
214	B	1767	GLY	0	-0.014	-0.012	40.827	-0.002	-0.002	0.000	0.000	0.000	0.000
215	B	1768	ARG	1	0.848	0.932	40.353	-0.042	-0.042	0.000	0.000	0.000	0.000
216	B	1769	GLU	-1	-0.864	-0.936	33.617	0.060	0.060	0.000	0.000	0.000	0.000
217	B	1770	VAL	0	-0.086	-0.026	37.210	0.002	0.002	0.000	0.000	0.000	0.000
218	B	1771	TYR	0	0.018	-0.001	34.391	0.002	0.002	0.000	0.000	0.000	0.000
219	B	1772	THR	0	0.020	0.013	31.095	0.000	0.000	0.000	0.000	0.000	0.000
220	B	1773	SER	0	0.037	0.012	27.980	0.006	0.006	0.000	0.000	0.000	0.000
221	B	1774	ASN	0	0.078	0.028	27.272	-0.010	-0.010	0.000	0.000	0.000	0.000
222	B	1775	LEU	0	-0.024	0.008	26.313	-0.005	-0.005	0.000	0.000	0.000	0.000
223	B	1776	GLN	0	0.038	0.006	30.338	-0.002	-0.002	0.000	0.000	0.000	0.000
224	B	1777	LEU	0	-0.038	-0.008	33.000	-0.004	-0.004	0.000	0.000	0.000	0.000
225	B	1778	GLY	0	0.047	0.012	32.620	-0.004	-0.004	0.000	0.000	0.000	0.000
226	B	1779	GLY	0	0.025	0.027	30.633	0.004	0.004	0.000	0.000	0.000	0.000
227	B	1780	THR	0	0.038	0.035	30.123	-0.005	-0.005	0.000	0.000	0.000	0.000
228	B	1781	GLN	0	0.039	0.014	31.381	-0.003	-0.003	0.000	0.000	0.000	0.000
229	B	1782	ILE	0	-0.047	-0.027	34.891	-0.004	-0.004	0.000	0.000	0.000	0.000
230	B	1783	MET	0	-0.003	-0.005	34.270	-0.005	-0.005	0.000	0.000	0.000	0.000
231	B	1784	TYR	0	-0.016	-0.004	34.650	-0.002	-0.002	0.000	0.000	0.000	0.000
232	B	1785	ASN	0	-0.011	-0.007	36.575	0.000	0.000	0.000	0.000	0.000	0.000
233	B	1786	ASN	0	-0.033	-0.022	39.124	-0.005	-0.005	0.000	0.000	0.000	0.000
234	B	1787	GLY	0	0.006	0.016	39.652	-0.003	-0.003	0.000	0.000	0.000	0.000
235	B	1788	VAL	0	-0.077	-0.041	36.199	-0.001	-0.001	0.000	0.000	0.000	0.000
236	B	1789	SER	0	-0.039	-0.037	33.392	-0.001	-0.001	0.000	0.000	0.000	0.000
237	B	1790	HIS	0	-0.013	-0.006	35.798	0.000	0.000	0.000	0.000	0.000	0.000
238	B	1791	LEU	0	0.022	-0.001	33.469	0.000	0.000	0.000	0.000	0.000	0.000
239	B	1792	THR	0	-0.040	-0.022	30.647	-0.002	-0.002	0.000	0.000	0.000	0.000
240	B	1793	ALA	0	-0.016	-0.012	27.221	-0.003	-0.003	0.000	0.000	0.000	0.000
241	B	1794	VAL	0	0.046	0.028	25.028	0.002	0.002	0.000	0.000	0.000	0.000
242	B	1795	ASP	-1	-0.847	-0.928	20.995	0.194	0.194	0.000	0.000	0.000	0.000
243	B	1796	ASP	-1	-0.743	-0.890	19.911	0.150	0.150	0.000	0.000	0.000	0.000
244	B	1797	LEU	0	-0.017	0.009	20.781	-0.016	-0.016	0.000	0.000	0.000	0.000
245	B	1798	ALA	0	0.036	0.025	23.130	-0.016	-0.016	0.000	0.000	0.000	0.000
246	B	1799	GLY	0	-0.006	-0.015	25.615	-0.012	-0.012	0.000	0.000	0.000	0.000
247	B	1800	VAL	0	-0.029	-0.024	23.826	-0.011	-0.011	0.000	0.000	0.000	0.000
248	B	1801	GLU	-1	-0.858	-0.936	26.580	0.094	0.094	0.000	0.000	0.000	0.000
249	B	1802	LYS	1	0.965	0.989	28.758	-0.096	-0.096	0.000	0.000	0.000	0.000
250	B	1803	ILE	0	-0.053	-0.018	28.424	-0.007	-0.007	0.000	0.000	0.000	0.000
251	B	1804	VAL	0	-0.014	-0.019	29.186	-0.006	-0.006	0.000	0.000	0.000	0.000
252	B	1805	GLU	-1	-0.906	-0.951	32.076	0.062	0.062	0.000	0.000	0.000	0.000
253	B	1806	TRP	0	-0.018	-0.009	34.550	-0.003	-0.003	0.000	0.000	0.000	0.000
254	B	1807	MET	0	-0.032	-0.035	33.722	-0.003	-0.003	0.000	0.000	0.000	0.000
255	B	1808	SER	0	-0.045	-0.005	36.698	-0.004	-0.004	0.000	0.000	0.000	0.000
256	B	1809	TYR	0	-0.046	-0.046	38.241	-0.003	-0.003	0.000	0.000	0.000	0.000
257	B	1810	VAL	0	-0.013	0.001	39.622	-0.002	-0.002	0.000	0.000	0.000	0.000
258	B	1811	PRO	0	0.052	0.031	41.105	0.000	0.000	0.000	0.000	0.000	0.000
259	B	1812	ALA	0	-0.031	-0.017	40.148	0.001	0.001	0.000	0.000	0.000	0.000
260	B	1813	LYS	1	0.909	0.945	40.132	-0.014	-0.014	0.000	0.000	0.000	0.000
261	B	1814	ARG	1	0.835	0.887	42.523	-0.018	-0.018	0.000	0.000	0.000	0.000
262	B	1815	ASN	0	-0.033	-0.018	45.340	-0.001	-0.001	0.000	0.000	0.000	0.000
263	B	1816	MET	0	-0.033	0.011	45.093	-0.001	-0.001	0.000	0.000	0.000	0.000
264	B	1817	PRO	0	0.009	-0.002	47.679	0.001	0.001	0.000	0.000	0.000	0.000
265	B	1818	VAL	0	0.026	0.018	46.494	0.001	0.001	0.000	0.000	0.000	0.000
266	B	1819	PRO	0	-0.046	-0.012	42.291	-0.001	-0.001	0.000	0.000	0.000	0.000
267	B	1820	ILE	0	-0.008	-0.002	44.614	0.002	0.002	0.000	0.000	0.000	0.000
268	B	1821	LEU	0	-0.035	-0.030	40.302	0.000	0.000	0.000	0.000	0.000	0.000
269	B	1822	GLU	-1	-0.917	-0.951	44.752	0.024	0.024	0.000	0.000	0.000	0.000
270	B	1823	THR	0	0.001	-0.006	42.926	0.001	0.001	0.000	0.000	0.000	0.000
271	B	1824	LYS	1	0.850	0.916	45.171	-0.034	-0.034	0.000	0.000	0.000	0.000
272	B	1825	ASP	-1	-0.820	-0.888	47.114	0.031	0.031	0.000	0.000	0.000	0.000
273	B	1826	THR	0	0.054	0.032	49.080	0.000	0.000	0.000	0.000	0.000	0.000
274	B	1827	TRP	0	0.083	0.027	51.865	0.000	0.000	0.000	0.000	0.000	0.000
275	B	1828	ASP	-1	-0.916	-0.939	54.563	0.020	0.020	0.000	0.000	0.000	0.000
276	B	1829	ARG	1	0.804	0.883	50.575	-0.030	-0.030	0.000	0.000	0.000	0.000
277	B	1830	PRO	0	0.032	0.016	57.189	0.000	0.000	0.000	0.000	0.000	0.000
278	B	1831	VAL	0	-0.069	-0.026	54.988	0.001	0.001	0.000	0.000	0.000	0.000
279	B	1832	ASP	-1	-0.857	-0.909	54.344	0.029	0.029	0.000	0.000	0.000	0.000
280	B	1833	PHE	0	0.036	0.012	53.396	0.000	0.000	0.000	0.000	0.000	0.000
281	B	1834	THR	0	-0.027	-0.019	55.505	-0.001	-0.001	0.000	0.000	0.000	0.000
282	B	1835	PRO	0	-0.002	0.006	56.946	0.000	0.000	0.000	0.000	0.000	0.000
283	B	1836	THR	0	0.015	0.003	58.851	-0.001	-0.001	0.000	0.000	0.000	0.000
284	B	1837	ASN	0	-0.007	-0.015	61.168	0.001	0.001	0.000	0.000	0.000	0.000
285	B	1838	ASP	-1	-0.962	-0.969	63.356	0.025	0.025	0.000	0.000	0.000	0.000
286	B	1839	GLU	-1	-0.898	-0.973	57.271	0.033	0.033	0.000	0.000	0.000	0.000
287	B	1840	THR	0	-0.081	-0.007	55.090	0.001	0.001	0.000	0.000	0.000	0.000
288	B	1841	TYR	0	0.021	-0.001	53.684	0.001	0.001	0.000	0.000	0.000	0.000
289	B	1842	ASP	-1	-0.744	-0.857	47.311	0.047	0.047	0.000	0.000	0.000	0.000
290	B	1843	VAL	0	0.024	0.008	49.734	0.000	0.000	0.000	0.000	0.000	0.000
291	B	1844	ARG	1	0.788	0.851	44.013	-0.050	-0.050	0.000	0.000	0.000	0.000
292	B	1845	TRP	0	0.006	-0.004	47.627	-0.001	-0.001	0.000	0.000	0.000	0.000
293	B	1846	MET	0	-0.042	0.007	50.122	-0.001	-0.001	0.000	0.000	0.000	0.000
294	B	1847	ILE	0	-0.031	-0.020	47.552	-0.002	-0.002	0.000	0.000	0.000	0.000
295	B	1848	GLU	-1	-0.925	-0.974	43.499	0.048	0.048	0.000	0.000	0.000	0.000
296	B	1849	GLY	0	0.040	0.022	47.385	0.000	0.000	0.000	0.000	0.000	0.000
297	B	1850	ARG	1	0.804	0.894	48.151	-0.035	-0.035	0.000	0.000	0.000	0.000
298	B	1851	GLU	-1	-0.859	-0.914	44.581	0.044	0.044	0.000	0.000	0.000	0.000
299	B	1852	THR	0	-0.072	-0.038	47.537	0.000	0.000	0.000	0.000	0.000	0.000
300	B	1853	GLU	-1	-0.909	-0.945	49.514	0.042	0.042	0.000	0.000	0.000	0.000
301	B	1854	SER	0	-0.056	-0.034	51.319	0.000	0.000	0.000	0.000	0.000	0.000
302	B	1855	GLY	0	0.022	0.000	50.271	-0.001	-0.001	0.000	0.000	0.000	0.000
303	B	1856	PHE	0	-0.013	-0.005	46.679	0.002	0.002	0.000	0.000	0.000	0.000
304	B	1857	GLU	-1	-0.818	-0.906	49.949	0.033	0.033	0.000	0.000	0.000	0.000
305	B	1858	TYR	0	0.028	0.007	48.578	0.002	0.002	0.000	0.000	0.000	0.000
306	B	1859	GLY	0	0.075	0.037	50.516	-0.001	-0.001	0.000	0.000	0.000	0.000
307	B	1860	LEU	0	-0.044	-0.015	51.968	-0.001	-0.001	0.000	0.000	0.000	0.000
308	B	1861	PHE	0	-0.027	-0.037	48.468	-0.002	-0.002	0.000	0.000	0.000	0.000
309	B	1862	ASP	-1	-0.757	-0.848	46.437	0.031	0.031	0.000	0.000	0.000	0.000
310	B	1863	LYS	1	0.835	0.919	43.607	-0.042	-0.042	0.000	0.000	0.000	0.000
311	B	1864	GLY	0	0.002	0.008	41.662	0.000	0.000	0.000	0.000	0.000	0.000
312	B	1865	SER	0	-0.054	-0.031	40.946	0.001	0.001	0.000	0.000	0.000	0.000
313	B	1866	PHE	0	0.005	0.020	42.800	-0.001	-0.001	0.000	0.000	0.000	0.000
314	B	1867	PHE	0	0.008	0.010	35.169	0.003	0.003	0.000	0.000	0.000	0.000
315	B	1868	GLU	-1	-0.800	-0.882	40.407	0.051	0.051	0.000	0.000	0.000	0.000
316	B	1869	THR	0	-0.024	-0.021	38.298	0.002	0.002	0.000	0.000	0.000	0.000
317	B	1870	LEU	0	-0.026	-0.017	39.251	-0.002	-0.002	0.000	0.000	0.000	0.000
318	B	1871	SER	0	0.060	0.039	38.640	-0.001	-0.001	0.000	0.000	0.000	0.000
319	B	1872	GLY	0	0.005	0.008	38.995	0.000	0.000	0.000	0.000	0.000	0.000
320	B	1873	TRP	0	0.006	0.005	39.960	-0.001	-0.001	0.000	0.000	0.000	0.000
321	B	1874	ALA	0	0.001	0.010	42.876	-0.001	-0.001	0.000	0.000	0.000	0.000
322	B	1875	LYS	1	0.962	0.972	40.784	-0.060	-0.060	0.000	0.000	0.000	0.000
323	B	1876	GLY	0	0.042	0.039	46.616	0.000	0.000	0.000	0.000	0.000	0.000
324	B	1877	VAL	0	-0.048	-0.020	48.343	-0.002	-0.002	0.000	0.000	0.000	0.000
325	B	1878	VAL	0	-0.022	-0.002	45.676	0.002	0.002	0.000	0.000	0.000	0.000
326	B	1879	VAL	0	0.027	0.010	44.169	-0.002	-0.002	0.000	0.000	0.000	0.000
327	B	1880	GLY	0	0.043	0.029	42.894	0.003	0.003	0.000	0.000	0.000	0.000
328	B	1881	ARG	1	0.766	0.866	41.520	-0.045	-0.045	0.000	0.000	0.000	0.000
329	B	1882	ALA	0	0.030	0.018	43.666	0.002	0.002	0.000	0.000	0.000	0.000
330	B	1883	ARG	1	0.890	0.936	39.998	-0.041	-0.041	0.000	0.000	0.000	0.000
331	B	1884	LEU	0	-0.003	0.010	46.992	0.000	0.000	0.000	0.000	0.000	0.000
332	B	1885	GLY	0	0.025	-0.002	50.335	-0.002	-0.002	0.000	0.000	0.000	0.000
333	B	1886	GLY	0	-0.005	-0.012	47.060	-0.001	-0.001	0.000	0.000	0.000	0.000
334	B	1887	ILE	0	-0.049	-0.024	46.900	0.000	0.000	0.000	0.000	0.000	0.000
335	B	1888	PRO	0	-0.022	0.014	44.661	0.001	0.001	0.000	0.000	0.000	0.000
336	B	1889	LEU	0	-0.006	-0.014	46.620	-0.002	-0.002	0.000	0.000	0.000	0.000
337	B	1890	GLY	0	0.008	0.009	46.519	0.002	0.002	0.000	0.000	0.000	0.000
338	B	1891	VAL	0	-0.006	-0.015	47.144	-0.002	-0.002	0.000	0.000	0.000	0.000
339	B	1892	ILE	0	0.000	-0.011	48.007	0.002	0.002	0.000	0.000	0.000	0.000
340	B	1893	GLY	0	0.051	0.028	49.961	-0.002	-0.002	0.000	0.000	0.000	0.000
341	B	1894	VAL	0	-0.045	-0.018	51.161	0.001	0.001	0.000	0.000	0.000	0.000
342	B	1895	GLU	-1	-0.783	-0.847	48.513	0.043	0.043	0.000	0.000	0.000	0.000
343	B	1896	THR	0	-0.029	-0.024	51.634	-0.001	-0.001	0.000	0.000	0.000	0.000
344	B	1897	ARG	1	0.778	0.856	47.440	-0.045	-0.045	0.000	0.000	0.000	0.000
345	B	1898	THR	0	-0.024	-0.020	52.266	0.000	0.000	0.000	0.000	0.000	0.000
346	B	1899	VAL	0	-0.001	0.007	47.286	0.002	0.002	0.000	0.000	0.000	0.000
347	B	1900	GLU	-1	-0.842	-0.912	47.131	0.041	0.041	0.000	0.000	0.000	0.000
348	B	1901	ASN	0	-0.087	-0.059	45.712	0.005	0.005	0.000	0.000	0.000	0.000
349	B	1902	LEU	0	0.016	0.012	42.446	-0.002	-0.002	0.000	0.000	0.000	0.000
350	B	1903	ILE	0	-0.009	-0.004	43.461	0.002	0.002	0.000	0.000	0.000	0.000
351	B	1904	PRO	0	0.004	-0.008	39.760	-0.001	-0.001	0.000	0.000	0.000	0.000
352	B	1905	ALA	0	0.008	0.020	42.470	-0.002	-0.002	0.000	0.000	0.000	0.000
353	B	1906	ASP	-1	-0.813	-0.925	42.096	0.048	0.048	0.000	0.000	0.000	0.000
354	B	1907	PRO	0	-0.004	0.000	38.607	-0.001	-0.001	0.000	0.000	0.000	0.000
355	B	1908	ALA	0	-0.032	-0.024	41.451	-0.001	-0.001	0.000	0.000	0.000	0.000
356	B	1909	ASN	0	0.011	-0.002	43.260	-0.003	-0.003	0.000	0.000	0.000	0.000
357	B	1910	PRO	0	-0.015	-0.017	45.763	0.001	0.001	0.000	0.000	0.000	0.000
358	B	1911	ASN	0	-0.051	-0.017	47.046	0.000	0.000	0.000	0.000	0.000	0.000
359	B	1912	SER	0	-0.058	-0.009	46.278	0.000	0.000	0.000	0.000	0.000	0.000
360	B	1913	ALA	0	0.040	0.003	47.090	0.001	0.001	0.000	0.000	0.000	0.000
361	B	1914	GLU	-1	-0.937	-0.965	42.730	0.056	0.056	0.000	0.000	0.000	0.000
362	B	1915	THR	0	-0.040	-0.016	46.390	-0.002	-0.002	0.000	0.000	0.000	0.000
363	B	1916	LEU	0	-0.004	0.009	47.773	0.001	0.001	0.000	0.000	0.000	0.000
364	B	1917	ILE	0	-0.052	-0.035	49.322	-0.003	-0.003	0.000	0.000	0.000	0.000
365	B	1918	GLN	0	-0.050	-0.034	50.670	0.000	0.000	0.000	0.000	0.000	0.000
366	B	1919	GLU	-1	-0.852	-0.905	49.480	0.040	0.040	0.000	0.000	0.000	0.000
367	B	1920	PRO	0	-0.010	-0.013	53.286	0.001	0.001	0.000	0.000	0.000	0.000
368	B	1921	GLY	0	0.121	0.067	54.526	0.000	0.000	0.000	0.000	0.000	0.000
369	B	1922	GLN	0	-0.022	-0.011	55.339	-0.002	-0.002	0.000	0.000	0.000	0.000
370	B	1923	VAL	0	-0.025	0.012	56.398	-0.002	-0.002	0.000	0.000	0.000	0.000
371	B	1924	TRP	0	-0.018	0.001	53.799	0.001	0.001	0.000	0.000	0.000	0.000
372	B	1925	HIS	0	-0.006	-0.015	53.002	-0.001	-0.001	0.000	0.000	0.000	0.000
373	B	1926	PRO	0	0.025	0.009	52.268	0.000	0.000	0.000	0.000	0.000	0.000
374	B	1927	ASN	0	-0.001	-0.009	47.707	-0.002	-0.002	0.000	0.000	0.000	0.000
375	B	1928	SER	0	0.107	0.047	49.078	0.000	0.000	0.000	0.000	0.000	0.000
376	B	1929	ALA	0	-0.007	0.011	50.648	0.000	0.000	0.000	0.000	0.000	0.000
377	B	1930	PHE	0	0.010	-0.005	47.303	0.000	0.000	0.000	0.000	0.000	0.000
378	B	1931	LYS	1	0.814	0.907	44.274	-0.046	-0.046	0.000	0.000	0.000	0.000
379	B	1932	THR	0	0.018	-0.003	47.885	0.000	0.000	0.000	0.000	0.000	0.000
380	B	1933	ALA	0	0.034	0.018	50.528	-0.001	-0.001	0.000	0.000	0.000	0.000
381	B	1934	GLN	0	-0.072	-0.028	43.964	-0.001	-0.001	0.000	0.000	0.000	0.000
382	B	1935	ALA	0	0.016	0.010	45.904	0.000	0.000	0.000	0.000	0.000	0.000
383	B	1936	ILE	0	0.027	0.022	46.971	0.000	0.000	0.000	0.000	0.000	0.000
384	B	1937	ASN	0	-0.010	-0.022	47.876	-0.002	-0.002	0.000	0.000	0.000	0.000
385	B	1938	ASP	-1	-0.809	-0.874	43.087	0.038	0.038	0.000	0.000	0.000	0.000
386	B	1939	PHE	0	0.003	0.008	44.474	0.001	0.001	0.000	0.000	0.000	0.000
387	B	1940	ASN	0	-0.010	0.012	46.598	-0.001	-0.001	0.000	0.000	0.000	0.000
388	B	1941	ASN	0	0.011	-0.005	45.687	-0.002	-0.002	0.000	0.000	0.000	0.000
389	B	1942	GLY	0	0.009	0.023	42.964	0.002	0.002	0.000	0.000	0.000	0.000
390	B	1943	GLU	-1	-0.772	-0.889	41.569	0.039	0.039	0.000	0.000	0.000	0.000
391	B	1944	GLN	0	-0.030	0.000	43.978	-0.001	-0.001	0.000	0.000	0.000	0.000
392	B	1945	LEU	0	0.008	0.015	43.990	-0.001	-0.001	0.000	0.000	0.000	0.000
393	B	1946	PRO	0	0.015	0.027	48.231	-0.001	-0.001	0.000	0.000	0.000	0.000
394	B	1947	MET	0	-0.007	0.007	49.998	0.002	0.002	0.000	0.000	0.000	0.000
395	B	1948	MET	0	-0.005	0.013	51.781	-0.001	-0.001	0.000	0.000	0.000	0.000
396	B	1949	ILE	0	-0.035	-0.020	52.555	0.002	0.002	0.000	0.000	0.000	0.000
397	B	1950	LEU	0	0.017	0.015	52.804	-0.001	-0.001	0.000	0.000	0.000	0.000
398	B	1951	ALA	0	-0.028	-0.025	55.881	0.001	0.001	0.000	0.000	0.000	0.000
399	B	1952	ASN	0	0.066	0.019	57.375	-0.002	-0.002	0.000	0.000	0.000	0.000
400	B	1953	TRP	0	0.050	0.030	53.705	0.001	0.001	0.000	0.000	0.000	0.000
401	B	1954	ARG	1	0.891	0.919	59.154	-0.029	-0.029	0.000	0.000	0.000	0.000
402	B	1955	GLY	0	0.004	-0.002	60.959	-0.001	-0.001	0.000	0.000	0.000	0.000
403	B	1956	PHE	0	0.002	0.007	57.704	0.001	0.001	0.000	0.000	0.000	0.000
404	B	1957	SER	0	-0.020	-0.023	58.506	-0.001	-0.001	0.000	0.000	0.000	0.000
405	B	1958	GLY	0	0.022	0.001	60.482	0.000	0.000	0.000	0.000	0.000	0.000
406	B	1959	GLY	0	-0.004	0.001	61.891	-0.001	-0.001	0.000	0.000	0.000	0.000
407	B	1960	GLN	0	0.032	0.001	61.749	0.001	0.001	0.000	0.000	0.000	0.000
408	B	1961	ARG	1	0.886	0.934	53.458	-0.033	-0.033	0.000	0.000	0.000	0.000
409	B	1962	ASP	-1	-0.724	-0.844	55.769	0.031	0.031	0.000	0.000	0.000	0.000
410	B	1963	MET	0	-0.023	-0.004	57.674	0.000	0.000	0.000	0.000	0.000	0.000
411	B	1964	PHE	0	-0.047	-0.014	56.299	-0.001	-0.001	0.000	0.000	0.000	0.000
412	B	1965	ASN	0	-0.048	-0.028	53.402	0.000	0.000	0.000	0.000	0.000	0.000
413	B	1966	GLU	-1	-0.809	-0.898	53.816	0.028	0.028	0.000	0.000	0.000	0.000
414	B	1967	ILE	0	0.018	0.021	56.174	0.000	0.000	0.000	0.000	0.000	0.000
415	B	1968	LEU	0	0.022	0.009	57.225	0.000	0.000	0.000	0.000	0.000	0.000
416	B	1969	LYS	1	0.841	0.923	55.861	-0.025	-0.025	0.000	0.000	0.000	0.000
417	B	1970	TYR	0	-0.020	-0.021	50.824	0.000	0.000	0.000	0.000	0.000	0.000
418	B	1971	GLY	0	0.024	0.013	54.687	0.000	0.000	0.000	0.000	0.000	0.000
419	B	1972	SER	0	-0.018	-0.031	57.411	-0.001	-0.001	0.000	0.000	0.000	0.000
420	B	1973	PHE	0	-0.016	0.000	51.769	0.000	0.000	0.000	0.000	0.000	0.000
421	B	1974	ILE	0	-0.032	-0.009	54.063	0.000	0.000	0.000	0.000	0.000	0.000
422	B	1975	VAL	0	0.015	0.015	55.576	0.000	0.000	0.000	0.000	0.000	0.000
423	B	1976	ASP	-1	-0.895	-0.948	55.475	0.022	0.022	0.000	0.000	0.000	0.000
424	B	1977	ALA	0	-0.016	-0.014	52.237	0.000	0.000	0.000	0.000	0.000	0.000
425	B	1978	LEU	0	-0.023	-0.012	54.067	0.000	0.000	0.000	0.000	0.000	0.000
426	B	1979	VAL	0	-0.037	-0.010	56.538	-0.001	-0.001	0.000	0.000	0.000	0.000
427	B	1980	ASP	-1	-0.857	-0.923	52.746	0.020	0.020	0.000	0.000	0.000	0.000
428	B	1981	TYR	0	-0.023	-0.025	50.298	0.000	0.000	0.000	0.000	0.000	0.000
429	B	1982	LYS	1	0.749	0.859	52.849	-0.021	-0.021	0.000	0.000	0.000	0.000
430	B	1983	GLN	0	-0.097	-0.034	50.721	-0.001	-0.001	0.000	0.000	0.000	0.000
431	B	1984	PRO	0	0.021	0.004	54.210	0.000	0.000	0.000	0.000	0.000	0.000
432	B	1985	ILE	0	0.001	-0.003	54.663	0.001	0.001	0.000	0.000	0.000	0.000
433	B	1986	ILE	0	-0.046	-0.019	56.053	-0.001	-0.001	0.000	0.000	0.000	0.000
434	B	1987	ILE	0	-0.016	-0.002	56.780	0.001	0.001	0.000	0.000	0.000	0.000
435	B	1988	TYR	0	-0.016	-0.054	57.648	-0.001	-0.001	0.000	0.000	0.000	0.000
436	B	1989	ILE	0	-0.017	0.002	58.942	0.001	0.001	0.000	0.000	0.000	0.000
437	B	1990	PRO	0	0.033	0.019	57.560	-0.001	-0.001	0.000	0.000	0.000	0.000
438	B	1991	PRO	0	0.087	0.042	59.697	-0.001	-0.001	0.000	0.000	0.000	0.000
439	B	1992	THR	0	-0.136	-0.070	60.759	0.001	0.001	0.000	0.000	0.000	0.000
440	B	1993	GLY	0	-0.008	0.005	61.324	0.001	0.001	0.000	0.000	0.000	0.000
441	B	1994	GLU	-1	-0.832	-0.916	61.929	0.023	0.023	0.000	0.000	0.000	0.000
442	B	1995	LEU	0	0.034	0.001	61.311	0.001	0.001	0.000	0.000	0.000	0.000
443	B	1996	ARG	1	0.839	0.916	64.088	-0.023	-0.023	0.000	0.000	0.000	0.000
444	B	1997	GLY	0	0.067	0.021	65.705	0.000	0.000	0.000	0.000	0.000	0.000
445	B	1998	GLY	0	-0.024	-0.010	65.329	0.000	0.000	0.000	0.000	0.000	0.000
446	B	1999	SER	0	-0.020	-0.020	61.021	0.000	0.000	0.000	0.000	0.000	0.000
447	B	2000	TRP	0	0.004	-0.008	61.995	0.001	0.001	0.000	0.000	0.000	0.000
448	B	2001	VAL	0	0.010	-0.001	63.533	0.000	0.000	0.000	0.000	0.000	0.000
449	B	2002	VAL	0	-0.025	-0.014	58.842	0.000	0.000	0.000	0.000	0.000	0.000
450	B	2003	VAL	0	-0.010	-0.017	58.049	0.001	0.001	0.000	0.000	0.000	0.000
451	B	2004	ASP	-1	-0.780	-0.838	60.719	0.018	0.018	0.000	0.000	0.000	0.000
452	B	2005	PRO	0	0.059	-0.008	62.829	0.000	0.000	0.000	0.000	0.000	0.000
453	B	2006	THR	0	-0.082	-0.067	63.896	0.000	0.000	0.000	0.000	0.000	0.000
454	B	2007	ILE	0	-0.067	-0.012	60.742	0.000	0.000	0.000	0.000	0.000	0.000
455	B	2008	ASN	0	-0.025	-0.041	58.319	-0.001	-0.001	0.000	0.000	0.000	0.000
456	B	2009	ALA	0	0.046	0.021	61.970	0.000	0.000	0.000	0.000	0.000	0.000
457	B	2010	ASP	-1	-0.876	-0.912	61.598	0.015	0.015	0.000	0.000	0.000	0.000
458	B	2011	GLN	0	-0.027	-0.040	57.224	0.000	0.000	0.000	0.000	0.000	0.000
459	B	2012	MET	0	-0.050	0.009	58.902	0.001	0.001	0.000	0.000	0.000	0.000
460	B	2013	GLU	-1	-0.746	-0.809	60.738	0.017	0.017	0.000	0.000	0.000	0.000
461	B	2014	MET	0	-0.006	0.009	61.230	0.001	0.001	0.000	0.000	0.000	0.000
462	B	2015	TYR	0	-0.050	-0.037	61.767	-0.001	-0.001	0.000	0.000	0.000	0.000
463	B	2016	ALA	0	0.013	0.004	63.157	0.001	0.001	0.000	0.000	0.000	0.000
464	B	2017	ASP	-1	-0.744	-0.866	62.940	0.022	0.022	0.000	0.000	0.000	0.000
465	B	2018	VAL	0	0.026	0.009	64.961	0.000	0.000	0.000	0.000	0.000	0.000
466	B	2019	ASN	0	-0.076	-0.033	65.384	-0.001	-0.001	0.000	0.000	0.000	0.000
467	B	2020	ALA	0	-0.002	0.019	64.886	0.001	0.001	0.000	0.000	0.000	0.000
468	B	2021	ARG	1	0.829	0.914	61.794	-0.026	-0.026	0.000	0.000	0.000	0.000
469	B	2022	ALA	0	-0.073	-0.052	66.830	-0.001	-0.001	0.000	0.000	0.000	0.000
470	B	2023	GLY	0	0.014	0.026	67.501	0.000	0.000	0.000	0.000	0.000	0.000
471	B	2108	VAL	0	0.004	0.005	69.124	0.000	0.000	0.000	0.000	0.000	0.000
472	B	2109	ILE	0	-0.047	-0.031	66.899	0.000	0.000	0.000	0.000	0.000	0.000
473	B	2110	SER	0	0.000	-0.013	65.108	-0.001	-0.001	0.000	0.000	0.000	0.000
474	B	2111	LYS	1	0.931	0.965	66.539	-0.018	-0.018	0.000	0.000	0.000	0.000
475	B	2112	GLU	-1	-0.939	-0.955	66.806	0.018	0.018	0.000	0.000	0.000	0.000
476	B	2113	LEU	0	-0.077	-0.038	61.690	-0.001	-0.001	0.000	0.000	0.000	0.000
477	B	2114	GLU	-1	-0.892	-0.946	65.005	0.019	0.019	0.000	0.000	0.000	0.000
478	B	2115	TRP	0	0.039	-0.006	54.925	0.000	0.000	0.000	0.000	0.000	0.000
479	B	2116	THR	0	-0.031	-0.001	60.021	0.000	0.000	0.000	0.000	0.000	0.000
480	B	2117	GLU	-1	-0.810	-0.908	60.216	0.021	0.021	0.000	0.000	0.000	0.000
481	B	2118	ALA	0	-0.003	-0.003	58.605	0.000	0.000	0.000	0.000	0.000	0.000
482	B	2119	ARG	1	0.783	0.878	50.555	-0.029	-0.029	0.000	0.000	0.000	0.000
483	B	2120	ARG	1	0.788	0.874	56.983	-0.021	-0.021	0.000	0.000	0.000	0.000
484	B	2121	PHE	0	0.018	0.011	59.283	-0.001	-0.001	0.000	0.000	0.000	0.000
485	B	2122	PHE	0	0.062	0.001	56.827	-0.001	-0.001	0.000	0.000	0.000	0.000
486	B	2123	PHE	0	-0.021	-0.006	52.808	0.000	0.000	0.000	0.000	0.000	0.000
487	B	2124	TRP	0	0.010	-0.018	56.338	0.000	0.000	0.000	0.000	0.000	0.000
488	B	2125	ARG	1	0.848	0.921	59.176	-0.018	-0.018	0.000	0.000	0.000	0.000
489	B	2126	LEU	0	0.005	-0.003	52.234	-0.001	-0.001	0.000	0.000	0.000	0.000
490	B	2127	ARG	1	0.833	0.890	52.786	-0.020	-0.020	0.000	0.000	0.000	0.000
491	B	2128	ARG	1	0.764	0.873	56.475	-0.016	-0.016	0.000	0.000	0.000	0.000
492	B	2129	ARG	1	0.823	0.894	58.220	-0.019	-0.019	0.000	0.000	0.000	0.000
493	B	2130	LEU	0	-0.015	-0.017	52.205	0.000	0.000	0.000	0.000	0.000	0.000
494	B	2131	ASN	0	-0.075	-0.057	55.987	-0.001	-0.001	0.000	0.000	0.000	0.000
495	B	2132	GLU	-1	-0.693	-0.792	57.797	0.013	0.013	0.000	0.000	0.000	0.000
496	B	2133	GLU	-1	-0.724	-0.814	56.625	0.016	0.016	0.000	0.000	0.000	0.000
497	B	2134	TYR	0	-0.048	-0.015	53.005	-0.001	-0.001	0.000	0.000	0.000	0.000
498	B	2135	LEU	0	0.012	-0.005	56.307	-0.001	-0.001	0.000	0.000	0.000	0.000
499	B	2136	ILE	0	0.027	0.013	59.749	-0.001	-0.001	0.000	0.000	0.000	0.000
500	B	2137	LYS	1	0.887	0.935	51.670	-0.018	-0.018	0.000	0.000	0.000	0.000
501	B	2138	ARG	1	0.810	0.886	55.775	-0.011	-0.011	0.000	0.000	0.000	0.000
502	B	2139	LEU	0	0.003	0.005	58.217	-0.001	-0.001	0.000	0.000	0.000	0.000
503	B	2140	SER	0	-0.066	-0.046	59.522	0.000	0.000	0.000	0.000	0.000	0.000
504	B	2141	HIS	0	-0.037	-0.008	56.218	0.000	0.000	0.000	0.000	0.000	0.000
505	B	2142	GLN	0	-0.083	-0.030	59.473	-0.001	-0.001	0.000	0.000	0.000	0.000
506	B	2143	VAL	0	0.042	0.035	62.530	0.000	0.000	0.000	0.000	0.000	0.000
507	B	2144	GLY	0	-0.010	0.013	63.226	0.001	0.001	0.000	0.000	0.000	0.000
508	B	2145	GLU	-1	-0.983	-1.011	63.878	0.008	0.008	0.000	0.000	0.000	0.000
509	B	2146	ALA	0	0.033	0.010	66.735	0.000	0.000	0.000	0.000	0.000	0.000
510	B	2147	SER	0	-0.021	-0.003	66.583	0.001	0.001	0.000	0.000	0.000	0.000
511	B	2148	ARG	1	0.778	0.848	60.230	-0.016	-0.016	0.000	0.000	0.000	0.000
512	B	2149	LEU	0	0.022	0.010	65.992	0.000	0.000	0.000	0.000	0.000	0.000
513	B	2150	GLU	-1	-0.834	-0.933	69.056	0.009	0.009	0.000	0.000	0.000	0.000
514	B	2151	LYS	1	0.886	0.952	62.840	-0.011	-0.011	0.000	0.000	0.000	0.000
515	B	2152	ILE	0	0.024	0.017	64.777	0.000	0.000	0.000	0.000	0.000	0.000
516	B	2153	ALA	0	0.014	0.019	66.856	0.000	0.000	0.000	0.000	0.000	0.000
517	B	2154	ARG	1	0.892	0.938	68.303	-0.008	-0.008	0.000	0.000	0.000	0.000
518	B	2155	ILE	0	0.006	0.013	62.977	0.000	0.000	0.000	0.000	0.000	0.000
519	B	2156	ARG	1	0.877	0.908	65.009	-0.013	-0.013	0.000	0.000	0.000	0.000
520	B	2157	SER	0	-0.116	-0.051	68.981	0.000	0.000	0.000	0.000	0.000	0.000
521	B	2158	TRP	0	-0.043	-0.046	64.341	0.000	0.000	0.000	0.000	0.000	0.000
522	B	2159	TYR	0	-0.033	-0.021	65.065	0.000	0.000	0.000	0.000	0.000	0.000
523	B	2160	PRO	0	0.005	0.005	69.615	0.000	0.000	0.000	0.000	0.000	0.000
524	B	2161	ALA	0	0.041	0.014	72.621	0.000	0.000	0.000	0.000	0.000	0.000
525	B	2162	SER	0	-0.067	-0.031	72.943	0.000	0.000	0.000	0.000	0.000	0.000
526	B	2163	VAL	0	-0.034	-0.012	68.147	0.000	0.000	0.000	0.000	0.000	0.000
527	B	2164	ASP	-1	-0.813	-0.909	70.985	0.012	0.012	0.000	0.000	0.000	0.000
528	B	2165	HIS	0	-0.037	-0.021	69.378	0.001	0.001	0.000	0.000	0.000	0.000
529	B	2166	GLU	-1	-0.905	-0.958	68.453	0.014	0.014	0.000	0.000	0.000	0.000
530	B	2167	ASP	-1	-0.882	-0.931	66.672	0.015	0.015	0.000	0.000	0.000	0.000
531	B	2168	ASP	-1	-0.818	-0.906	62.334	0.017	0.017	0.000	0.000	0.000	0.000
532	B	2169	ARG	1	0.978	0.994	61.797	-0.016	-0.016	0.000	0.000	0.000	0.000
533	B	2170	GLN	0	-0.008	0.016	63.146	0.000	0.000	0.000	0.000	0.000	0.000
534	B	2171	VAL	0	-0.011	-0.003	63.556	0.000	0.000	0.000	0.000	0.000	0.000
535	B	2172	ALA	0	-0.046	-0.023	59.312	0.000	0.000	0.000	0.000	0.000	0.000
536	B	2173	THR	0	-0.016	-0.029	60.661	0.000	0.000	0.000	0.000	0.000	0.000
537	B	2174	TRP	0	0.045	0.024	61.703	-0.001	-0.001	0.000	0.000	0.000	0.000
538	B	2175	ILE	0	-0.011	-0.010	59.380	-0.001	-0.001	0.000	0.000	0.000	0.000
539	B	2176	GLU	-1	-0.817	-0.872	55.965	0.017	0.017	0.000	0.000	0.000	0.000
540	B	2177	GLU	-1	-0.941	-0.956	58.633	0.012	0.012	0.000	0.000	0.000	0.000
541	B	2178	ASN	0	-0.150	-0.079	61.315	-0.001	-0.001	0.000	0.000	0.000	0.000
542	B	2179	TYR	0	0.072	0.030	56.150	0.000	0.000	0.000	0.000	0.000	0.000
543	B	2180	LYS	1	0.964	0.984	59.235	-0.008	-0.008	0.000	0.000	0.000	0.000
544	B	2181	THR	0	0.039	0.013	61.693	0.000	0.000	0.000	0.000	0.000	0.000
545	B	2182	LEU	0	-0.012	-0.003	61.715	0.000	0.000	0.000	0.000	0.000	0.000
546	B	2183	ASP	-1	-0.846	-0.911	58.487	0.010	0.010	0.000	0.000	0.000	0.000
547	B	2184	ASP	-1	-0.897	-0.929	61.294	0.005	0.005	0.000	0.000	0.000	0.000
548	B	2185	LYS	1	0.923	0.966	64.661	-0.008	-0.008	0.000	0.000	0.000	0.000
549	B	2186	LEU	0	-0.064	-0.016	60.172	0.000	0.000	0.000	0.000	0.000	0.000
550	B	2187	LYS	1	0.886	0.925	62.125	-0.006	-0.006	0.000	0.000	0.000	0.000
551	B	2188	GLY	0	-0.075	-0.009	64.248	0.000	0.000	0.000	0.000	0.000	0.000
552	B	2189	LEU	0	0.000	-0.003	65.750	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(B:1482:PRO)