FMO DATABASE

FMODB ID: 4388N

Calculation Name: 1UX4-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1UX4

Chain ID: A

ChEMBL ID:

UniProt ID: P41832

Base Structure: X-ray

Registration Date: 2023-06-19

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	410
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6093824.452762
FMO2-HF: Nuclear repulsion	5929600.011514
FMO2-HF: Total energy	-164224.441249
FMO2-MP2: Total energy	-164707.997812

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:1352:PRO)

Summations of interaction energy for fragment #1(A:1352: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.
-17.646	-9.268	3.033	-4.45	-6.96	-0.032

Interaction energy analysis for fragmet #1(A:1352:PRO)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.043 / q_NPA : 0.022

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	1354	PRO	0	0.035	0.029	3.813	-2.067	0.386	-0.033	-1.254	-1.166	0.005
4	A	1355	HIS	0	0.059	0.035	6.991	0.242	0.242	0.000	0.000	0.000	0.000
5	A	1356	LYS	1	0.914	0.954	9.647	-0.288	-0.288	0.000	0.000	0.000	0.000
6	A	1357	LYS	1	0.961	0.980	11.765	-0.396	-0.396	0.000	0.000	0.000	0.000
7	A	1358	LEU	0	0.051	0.025	9.195	-0.032	-0.032	0.000	0.000	0.000	0.000
8	A	1359	LYS	1	0.863	0.922	13.300	0.049	0.049	0.000	0.000	0.000	0.000
9	A	1360	GLN	0	-0.027	-0.008	12.189	-0.023	-0.023	0.000	0.000	0.000	0.000
10	A	1361	LEU	0	0.007	0.005	13.953	-0.007	-0.007	0.000	0.000	0.000	0.000
11	A	1362	HIS	0	0.006	0.016	15.702	-0.009	-0.009	0.000	0.000	0.000	0.000
12	A	1363	TRP	0	-0.060	-0.033	11.759	-0.064	-0.064	0.000	0.000	0.000	0.000
13	A	1364	GLU	-1	-0.813	-0.898	18.871	-0.061	-0.061	0.000	0.000	0.000	0.000
14	A	1365	LYS	1	0.821	0.919	15.821	-0.029	-0.029	0.000	0.000	0.000	0.000
15	A	1366	LEU	0	0.017	-0.005	17.496	0.015	0.015	0.000	0.000	0.000	0.000
16	A	1367	ASP	-1	-0.877	-0.941	18.197	-0.021	-0.021	0.000	0.000	0.000	0.000
17	A	1368	CYS	0	-0.066	-0.032	17.640	0.034	0.034	0.000	0.000	0.000	0.000
18	A	1369	THR	0	-0.017	-0.006	15.463	-0.021	-0.021	0.000	0.000	0.000	0.000
19	A	1370	ASP	-1	-0.812	-0.894	18.110	-0.106	-0.106	0.000	0.000	0.000	0.000
20	A	1371	ASN	0	-0.051	-0.023	21.108	-0.020	-0.020	0.000	0.000	0.000	0.000
21	A	1372	SER	0	-0.026	-0.034	21.081	0.007	0.007	0.000	0.000	0.000	0.000
22	A	1373	ILE	0	-0.029	0.000	18.482	-0.003	-0.003	0.000	0.000	0.000	0.000
23	A	1374	TRP	0	0.010	0.002	14.515	-0.089	-0.089	0.000	0.000	0.000	0.000
24	A	1375	GLY	0	0.078	0.030	15.025	0.048	0.048	0.000	0.000	0.000	0.000
25	A	1376	THR	0	-0.067	-0.042	14.482	-0.073	-0.073	0.000	0.000	0.000	0.000
26	A	1377	GLY	0	0.113	0.057	10.935	0.032	0.032	0.000	0.000	0.000	0.000
27	A	1378	LYS	1	0.863	0.928	9.529	0.352	0.352	0.000	0.000	0.000	0.000
28	A	1379	ALA	0	0.026	0.023	8.915	-0.090	-0.090	0.000	0.000	0.000	0.000
29	A	1380	GLU	-1	-0.830	-0.932	5.201	-1.778	-1.778	0.000	0.000	0.000	0.000
30	A	1381	LYS	1	0.844	0.923	5.223	0.337	0.337	0.000	0.000	0.000	0.000
31	A	1382	PHE	0	-0.001	0.006	7.039	0.301	0.301	0.000	0.000	0.000	0.000
32	A	1383	ALA	0	0.032	0.021	3.010	-0.378	0.051	0.070	-0.106	-0.393	0.000
33	A	1384	ASP	-1	-0.843	-0.940	2.487	-15.071	-10.256	2.849	-3.310	-4.353	-0.034
34	A	1385	ASP	-1	-0.816	-0.881	3.368	0.565	-0.003	0.062	0.618	-0.112	0.000
35	A	1386	LEU	0	-0.022	-0.023	6.116	0.467	0.467	0.000	0.000	0.000	0.000
36	A	1387	TYR	0	-0.049	-0.025	3.269	-0.554	0.515	0.084	-0.369	-0.784	-0.003
37	A	1388	GLU	-1	-0.919	-0.949	5.258	-0.743	-0.730	-0.001	-0.002	-0.010	0.000
38	A	1389	LYS	1	0.745	0.867	7.422	1.166	1.166	0.000	0.000	0.000	0.000
39	A	1390	GLY	0	0.015	0.020	8.659	0.120	0.120	0.000	0.000	0.000	0.000
40	A	1391	VAL	0	-0.002	-0.027	9.535	0.038	0.038	0.000	0.000	0.000	0.000
41	A	1392	LEU	0	-0.014	0.009	3.913	-0.074	0.093	0.002	-0.027	-0.142	0.000
42	A	1393	ALA	0	0.088	0.026	7.887	0.126	0.126	0.000	0.000	0.000	0.000
43	A	1394	ASP	-1	-0.896	-0.919	8.664	-0.137	-0.137	0.000	0.000	0.000	0.000
44	A	1395	LEU	0	-0.017	-0.007	9.226	0.063	0.063	0.000	0.000	0.000	0.000
45	A	1396	GLU	-1	-0.941	-0.976	7.489	0.307	0.307	0.000	0.000	0.000	0.000
46	A	1397	LYS	1	0.786	0.879	10.535	0.189	0.189	0.000	0.000	0.000	0.000
47	A	1398	ALA	0	-0.011	0.004	14.011	-0.032	-0.032	0.000	0.000	0.000	0.000
48	A	1399	PHE	0	-0.042	-0.030	13.483	0.006	0.006	0.000	0.000	0.000	0.000
49	A	1400	ALA	0	0.028	0.008	14.249	0.023	0.023	0.000	0.000	0.000	0.000
50	A	1401	ALA	0	0.028	0.026	16.505	-0.021	-0.021	0.000	0.000	0.000	0.000
51	A	1402	ARG	1	0.874	0.929	18.955	-0.052	-0.052	0.000	0.000	0.000	0.000
52	A	1403	GLU	-1	-0.894	-0.961	22.735	0.123	0.123	0.000	0.000	0.000	0.000
53	A	1404	ILE	0	0.021	0.026	25.458	-0.005	-0.005	0.000	0.000	0.000	0.000
54	A	1405	LYS	1	0.967	0.973	29.259	-0.024	-0.024	0.000	0.000	0.000	0.000
55	A	1406	SER	0	-0.065	-0.032	31.518	-0.005	-0.005	0.000	0.000	0.000	0.000
56	A	1407	LEU	0	0.107	0.064	33.456	-0.003	-0.003	0.000	0.000	0.000	0.000
57	A	1408	ALA	0	-0.001	-0.006	36.254	-0.004	-0.004	0.000	0.000	0.000	0.000
58	A	1409	SER	0	0.036	-0.001	38.930	-0.002	-0.002	0.000	0.000	0.000	0.000
59	A	1410	LYS	1	0.878	0.940	35.041	-0.021	-0.021	0.000	0.000	0.000	0.000
60	A	1411	GLU	-1	-0.918	-0.926	40.047	0.010	0.010	0.000	0.000	0.000	0.000
61	A	1412	PHE	0	-0.069	-0.027	39.873	-0.003	-0.003	0.000	0.000	0.000	0.000
62	A	1417	LYS	1	0.852	0.910	40.025	-0.006	-0.006	0.000	0.000	0.000	0.000
63	A	1418	ILE	0	-0.074	-0.022	36.677	-0.002	-0.002	0.000	0.000	0.000	0.000
64	A	1419	THR	0	0.003	-0.031	39.316	0.003	0.003	0.000	0.000	0.000	0.000
65	A	1420	PHE	0	-0.061	-0.032	33.620	-0.002	-0.002	0.000	0.000	0.000	0.000
66	A	1421	LEU	0	0.000	0.020	38.195	-0.004	-0.004	0.000	0.000	0.000	0.000
67	A	1422	SER	0	0.008	0.013	40.422	0.001	0.001	0.000	0.000	0.000	0.000
68	A	1423	ARG	1	0.970	0.964	43.389	0.023	0.023	0.000	0.000	0.000	0.000
69	A	1424	ASP	-1	-0.875	-0.924	46.368	-0.022	-0.022	0.000	0.000	0.000	0.000
70	A	1425	ILE	0	0.097	0.028	41.846	0.002	0.002	0.000	0.000	0.000	0.000
71	A	1426	SER	0	-0.018	-0.016	44.099	0.003	0.003	0.000	0.000	0.000	0.000
72	A	1427	GLN	0	-0.035	-0.006	45.135	0.003	0.003	0.000	0.000	0.000	0.000
73	A	1428	GLN	0	0.030	0.006	46.837	0.003	0.003	0.000	0.000	0.000	0.000
74	A	1429	PHE	0	0.026	0.012	41.103	0.002	0.002	0.000	0.000	0.000	0.000
75	A	1430	GLY	0	-0.045	-0.013	46.504	0.002	0.002	0.000	0.000	0.000	0.000
76	A	1431	ILE	0	0.019	0.003	49.275	0.001	0.001	0.000	0.000	0.000	0.000
77	A	1432	ASN	0	-0.004	0.010	48.922	0.001	0.001	0.000	0.000	0.000	0.000
78	A	1433	LEU	0	0.040	0.019	45.224	0.001	0.001	0.000	0.000	0.000	0.000
79	A	1434	HIS	0	-0.022	-0.013	49.500	0.003	0.003	0.000	0.000	0.000	0.000
80	A	1435	MET	0	-0.011	0.025	51.886	0.002	0.002	0.000	0.000	0.000	0.000
81	A	1436	TYR	0	0.010	-0.019	48.485	0.001	0.001	0.000	0.000	0.000	0.000
82	A	1437	SER	0	-0.072	-0.061	49.241	0.001	0.001	0.000	0.000	0.000	0.000
83	A	1438	SER	0	-0.043	-0.026	50.250	0.001	0.001	0.000	0.000	0.000	0.000
84	A	1439	LEU	0	-0.029	0.008	46.949	0.002	0.002	0.000	0.000	0.000	0.000
85	A	1440	SER	0	-0.005	-0.002	44.024	-0.002	-0.002	0.000	0.000	0.000	0.000
86	A	1441	VAL	0	0.103	0.024	39.180	0.000	0.000	0.000	0.000	0.000	0.000
87	A	1442	ALA	0	0.012	0.022	39.424	-0.001	-0.001	0.000	0.000	0.000	0.000
88	A	1443	ASP	-1	-0.857	-0.939	40.399	0.029	0.029	0.000	0.000	0.000	0.000
89	A	1444	LEU	0	-0.044	-0.008	42.844	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	1445	VAL	0	0.045	0.005	37.431	-0.001	-0.001	0.000	0.000	0.000	0.000
91	A	1446	LYS	1	0.867	0.947	40.137	-0.032	-0.032	0.000	0.000	0.000	0.000
92	A	1447	LYS	1	0.758	0.867	41.029	-0.014	-0.014	0.000	0.000	0.000	0.000
93	A	1448	ILE	0	0.014	0.003	40.807	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	1449	LEU	0	0.008	0.009	35.971	-0.001	-0.001	0.000	0.000	0.000	0.000
95	A	1450	ASN	0	0.003	-0.006	39.503	0.003	0.003	0.000	0.000	0.000	0.000
96	A	1451	CYS	0	-0.086	-0.044	41.803	-0.001	-0.001	0.000	0.000	0.000	0.000
97	A	1452	ASP	-1	-0.773	-0.856	44.292	0.019	0.019	0.000	0.000	0.000	0.000
98	A	1453	ARG	1	0.925	0.957	47.379	-0.011	-0.011	0.000	0.000	0.000	0.000
99	A	1454	ASP	-1	-0.805	-0.898	50.781	0.009	0.009	0.000	0.000	0.000	0.000
100	A	1455	PHE	0	0.033	0.024	43.823	-0.001	-0.001	0.000	0.000	0.000	0.000
101	A	1456	LEU	0	0.019	0.017	45.763	-0.002	-0.002	0.000	0.000	0.000	0.000
102	A	1457	GLN	0	-0.041	-0.016	49.483	0.000	0.000	0.000	0.000	0.000	0.000
103	A	1458	THR	0	-0.016	-0.015	51.530	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	1459	PRO	0	0.061	0.019	51.073	-0.001	-0.001	0.000	0.000	0.000	0.000
105	A	1460	SER	0	0.031	0.019	50.937	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	1461	VAL	0	-0.002	-0.001	46.879	-0.001	-0.001	0.000	0.000	0.000	0.000
107	A	1462	VAL	0	0.025	0.022	46.208	-0.001	-0.001	0.000	0.000	0.000	0.000
108	A	1463	GLU	-1	-0.940	-0.951	46.327	-0.016	-0.016	0.000	0.000	0.000	0.000
109	A	1464	PHE	0	0.005	-0.008	44.947	-0.002	-0.002	0.000	0.000	0.000	0.000
110	A	1465	LEU	0	-0.079	-0.039	42.188	-0.002	-0.002	0.000	0.000	0.000	0.000
111	A	1466	SER	0	0.048	-0.018	41.992	-0.001	-0.001	0.000	0.000	0.000	0.000
112	A	1467	LYS	1	0.812	0.905	43.516	0.019	0.019	0.000	0.000	0.000	0.000
113	A	1468	SER	0	0.029	-0.004	41.800	0.000	0.000	0.000	0.000	0.000	0.000
114	A	1469	GLU	-1	-0.858	-0.918	41.040	-0.028	-0.028	0.000	0.000	0.000	0.000
115	A	1470	ILE	0	-0.100	-0.041	41.209	0.000	0.000	0.000	0.000	0.000	0.000
116	A	1471	ILE	0	-0.042	-0.021	36.792	0.001	0.001	0.000	0.000	0.000	0.000
117	A	1472	GLU	-1	-0.911	-0.944	36.501	-0.050	-0.050	0.000	0.000	0.000	0.000
118	A	1473	VAL	0	0.042	0.032	32.272	0.003	0.003	0.000	0.000	0.000	0.000
119	A	1474	SER	0	-0.058	-0.021	33.258	-0.007	-0.007	0.000	0.000	0.000	0.000
120	A	1475	VAL	0	0.104	0.023	28.388	0.001	0.001	0.000	0.000	0.000	0.000
121	A	1476	ASN	0	-0.049	-0.034	29.950	-0.004	-0.004	0.000	0.000	0.000	0.000
122	A	1477	LEU	0	0.034	0.019	31.097	0.000	0.000	0.000	0.000	0.000	0.000
123	A	1478	ALA	0	0.110	0.069	28.653	0.006	0.006	0.000	0.000	0.000	0.000
124	A	1479	ARG	1	0.888	0.946	26.528	0.100	0.100	0.000	0.000	0.000	0.000
125	A	1480	ASN	0	-0.084	-0.049	27.748	-0.001	-0.001	0.000	0.000	0.000	0.000
126	A	1481	TYR	0	0.022	-0.018	30.026	0.006	0.006	0.000	0.000	0.000	0.000
127	A	1482	ALA	0	0.063	0.056	24.571	0.008	0.008	0.000	0.000	0.000	0.000
128	A	1483	PRO	0	-0.096	-0.058	25.470	0.009	0.009	0.000	0.000	0.000	0.000
129	A	1484	TYR	0	-0.046	-0.047	26.522	0.006	0.006	0.000	0.000	0.000	0.000
130	A	1485	SER	0	-0.026	0.003	25.756	0.004	0.004	0.000	0.000	0.000	0.000
131	A	1486	THR	0	-0.021	-0.026	25.849	0.011	0.011	0.000	0.000	0.000	0.000
132	A	1487	ASP	-1	-0.848	-0.921	21.510	-0.020	-0.020	0.000	0.000	0.000	0.000
133	A	1488	TRP	0	-0.019	-0.023	24.721	0.002	0.002	0.000	0.000	0.000	0.000
134	A	1489	GLU	-1	-0.739	-0.844	22.900	-0.023	-0.023	0.000	0.000	0.000	0.000
135	A	1490	GLY	0	-0.039	0.004	22.519	0.008	0.008	0.000	0.000	0.000	0.000
136	A	1491	VAL	0	-0.072	-0.034	23.515	0.021	0.021	0.000	0.000	0.000	0.000
137	A	1492	ARG	1	0.973	0.980	26.141	-0.100	-0.100	0.000	0.000	0.000	0.000
138	A	1493	ASN	0	-0.025	-0.027	28.822	-0.012	-0.012	0.000	0.000	0.000	0.000
139	A	1494	LEU	0	0.017	0.003	29.452	0.001	0.001	0.000	0.000	0.000	0.000
140	A	1495	GLU	-1	-0.901	-0.939	30.490	0.095	0.095	0.000	0.000	0.000	0.000
141	A	1496	ASP	-1	-0.876	-0.952	26.074	0.142	0.142	0.000	0.000	0.000	0.000
142	A	1497	ALA	0	-0.016	0.005	25.598	0.011	0.011	0.000	0.000	0.000	0.000
143	A	1498	LYS	1	0.815	0.914	24.481	-0.147	-0.147	0.000	0.000	0.000	0.000
144	A	1499	PRO	0	-0.037	-0.029	21.840	-0.003	-0.003	0.000	0.000	0.000	0.000
145	A	1500	PRO	0	0.039	0.057	24.497	-0.010	-0.010	0.000	0.000	0.000	0.000
146	A	1501	GLU	-1	-0.911	-0.966	21.630	0.026	0.026	0.000	0.000	0.000	0.000
147	A	1502	LYS	1	0.810	0.894	25.515	0.009	0.009	0.000	0.000	0.000	0.000
148	A	1503	ASP	-1	-0.830	-0.899	28.863	0.037	0.037	0.000	0.000	0.000	0.000
149	A	1504	PRO	0	0.094	0.040	31.904	-0.005	-0.005	0.000	0.000	0.000	0.000
150	A	1505	ASN	0	-0.032	-0.021	34.458	-0.004	-0.004	0.000	0.000	0.000	0.000
151	A	1506	ASP	-1	-0.924	-0.958	35.571	0.011	0.011	0.000	0.000	0.000	0.000
152	A	1507	LEU	0	-0.033	-0.020	34.147	-0.005	-0.005	0.000	0.000	0.000	0.000
153	A	1508	GLN	0	-0.003	-0.003	38.343	0.005	0.005	0.000	0.000	0.000	0.000
154	A	1509	ARG	1	0.932	0.979	40.684	-0.004	-0.004	0.000	0.000	0.000	0.000
155	A	1510	ALA	0	0.028	0.014	41.645	0.000	0.000	0.000	0.000	0.000	0.000
156	A	1511	ASP	-1	-0.673	-0.804	37.385	-0.018	-0.018	0.000	0.000	0.000	0.000
157	A	1512	GLN	0	-0.044	-0.034	36.927	0.002	0.002	0.000	0.000	0.000	0.000
158	A	1513	ILE	0	-0.037	-0.008	37.077	0.002	0.002	0.000	0.000	0.000	0.000
159	A	1514	TYR	0	0.037	0.000	35.099	0.000	0.000	0.000	0.000	0.000	0.000
160	A	1515	LEU	0	-0.008	-0.012	31.068	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	1516	GLN	0	-0.046	-0.039	32.854	0.001	0.001	0.000	0.000	0.000	0.000
162	A	1517	LEU	0	-0.039	-0.016	34.361	0.002	0.002	0.000	0.000	0.000	0.000
163	A	1518	MET	0	-0.043	-0.007	34.311	0.000	0.000	0.000	0.000	0.000	0.000
164	A	1519	VAL	0	0.014	0.028	30.093	-0.005	-0.005	0.000	0.000	0.000	0.000
165	A	1520	ASN	0	0.039	0.013	29.179	-0.009	-0.009	0.000	0.000	0.000	0.000
166	A	1521	LEU	0	-0.036	-0.004	29.202	0.001	0.001	0.000	0.000	0.000	0.000
167	A	1522	GLU	-1	-0.899	-0.954	29.883	-0.060	-0.060	0.000	0.000	0.000	0.000
168	A	1523	SER	0	-0.011	-0.022	26.611	-0.005	-0.005	0.000	0.000	0.000	0.000
169	A	1524	TYR	0	-0.060	-0.064	29.504	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	1525	TRP	0	0.089	0.036	32.786	0.004	0.004	0.000	0.000	0.000	0.000
171	A	1526	GLY	0	0.052	0.033	35.635	0.002	0.002	0.000	0.000	0.000	0.000
172	A	1527	SER	0	-0.012	-0.017	35.104	0.000	0.000	0.000	0.000	0.000	0.000
173	A	1528	ARG	1	0.767	0.896	36.348	0.001	0.001	0.000	0.000	0.000	0.000
174	A	1529	MET	0	-0.040	-0.036	38.104	0.004	0.004	0.000	0.000	0.000	0.000
175	A	1530	ARG	1	0.915	0.972	37.643	0.035	0.035	0.000	0.000	0.000	0.000
176	A	1531	ALA	0	0.030	0.028	40.888	0.000	0.000	0.000	0.000	0.000	0.000
177	A	1532	LEU	0	0.011	-0.008	41.470	0.001	0.001	0.000	0.000	0.000	0.000
178	A	1533	THR	0	0.017	-0.003	44.247	0.001	0.001	0.000	0.000	0.000	0.000
179	A	1534	VAL	0	0.002	-0.006	46.086	0.001	0.001	0.000	0.000	0.000	0.000
180	A	1535	VAL	0	-0.065	-0.035	44.468	0.001	0.001	0.000	0.000	0.000	0.000
181	A	1536	THR	0	-0.082	-0.041	47.691	0.002	0.002	0.000	0.000	0.000	0.000
182	A	1537	SER	0	-0.021	-0.052	50.460	0.000	0.000	0.000	0.000	0.000	0.000
183	A	1538	TYR	0	0.071	0.042	51.128	0.001	0.001	0.000	0.000	0.000	0.000
184	A	1539	GLU	-1	-0.787	-0.873	53.058	-0.003	-0.003	0.000	0.000	0.000	0.000
185	A	1540	ARG	1	0.838	0.914	53.910	0.009	0.009	0.000	0.000	0.000	0.000
186	A	1541	GLU	-1	-0.812	-0.868	51.947	-0.015	-0.015	0.000	0.000	0.000	0.000
187	A	1542	TYR	0	0.004	0.002	56.356	0.000	0.000	0.000	0.000	0.000	0.000
188	A	1543	ASN	0	-0.062	-0.041	57.958	0.000	0.000	0.000	0.000	0.000	0.000
189	A	1544	GLU	-1	-0.893	-0.940	58.378	-0.011	-0.011	0.000	0.000	0.000	0.000
190	A	1545	LEU	0	-0.029	-0.022	56.548	0.000	0.000	0.000	0.000	0.000	0.000
191	A	1546	LEU	0	0.034	0.019	60.906	0.000	0.000	0.000	0.000	0.000	0.000
192	A	1547	ALA	0	-0.001	0.009	63.092	0.000	0.000	0.000	0.000	0.000	0.000
193	A	1548	LYS	1	0.785	0.894	60.401	0.015	0.015	0.000	0.000	0.000	0.000
194	A	1549	LEU	0	0.059	0.017	62.734	-0.001	-0.001	0.000	0.000	0.000	0.000
195	A	1550	ARG	1	0.852	0.897	66.005	0.008	0.008	0.000	0.000	0.000	0.000
196	A	1551	LYS	1	0.709	0.835	69.013	0.009	0.009	0.000	0.000	0.000	0.000
197	A	1552	VAL	0	-0.009	0.002	67.549	0.000	0.000	0.000	0.000	0.000	0.000
198	A	1553	ASP	-1	-0.684	-0.832	69.435	-0.011	-0.011	0.000	0.000	0.000	0.000
199	A	1554	LYS	1	0.916	0.975	72.084	0.007	0.007	0.000	0.000	0.000	0.000
200	A	1555	ALA	0	-0.019	-0.011	73.687	0.000	0.000	0.000	0.000	0.000	0.000
201	A	1556	VAL	0	0.006	0.001	72.446	0.000	0.000	0.000	0.000	0.000	0.000
202	A	1557	SER	0	0.022	-0.003	75.445	0.000	0.000	0.000	0.000	0.000	0.000
203	A	1558	ALA	0	-0.018	0.006	77.711	0.000	0.000	0.000	0.000	0.000	0.000
204	A	1559	LEU	0	-0.019	-0.015	77.259	0.000	0.000	0.000	0.000	0.000	0.000
205	A	1560	GLN	0	-0.019	-0.001	77.410	0.000	0.000	0.000	0.000	0.000	0.000
206	A	1561	GLU	-1	-0.954	-0.976	80.036	-0.008	-0.008	0.000	0.000	0.000	0.000
207	A	1562	SER	0	0.018	-0.025	83.361	0.000	0.000	0.000	0.000	0.000	0.000
208	A	1563	ASP	-1	-0.838	-0.905	85.925	-0.009	-0.009	0.000	0.000	0.000	0.000
209	A	1564	ASN	0	0.015	0.015	88.871	0.000	0.000	0.000	0.000	0.000	0.000
210	A	1565	LEU	0	0.004	0.018	84.090	0.000	0.000	0.000	0.000	0.000	0.000
211	A	1566	ARG	1	0.809	0.860	83.816	0.009	0.009	0.000	0.000	0.000	0.000
212	A	1567	ASN	0	-0.019	-0.006	88.622	0.000	0.000	0.000	0.000	0.000	0.000
213	A	1568	VAL	0	0.028	0.019	90.489	0.000	0.000	0.000	0.000	0.000	0.000
214	A	1569	PHE	0	0.010	-0.013	84.646	0.000	0.000	0.000	0.000	0.000	0.000
215	A	1570	ASN	0	0.012	0.009	90.418	0.000	0.000	0.000	0.000	0.000	0.000
216	A	1571	VAL	0	0.005	0.019	93.217	0.000	0.000	0.000	0.000	0.000	0.000
217	A	1572	ILE	0	0.001	-0.013	90.723	0.000	0.000	0.000	0.000	0.000	0.000
218	A	1573	LEU	0	-0.024	-0.002	91.701	0.000	0.000	0.000	0.000	0.000	0.000
219	A	1574	ALA	0	-0.078	-0.030	93.792	0.000	0.000	0.000	0.000	0.000	0.000
220	A	1575	VAL	0	0.009	-0.009	97.189	0.000	0.000	0.000	0.000	0.000	0.000
221	A	1576	GLY	0	0.005	0.008	95.264	0.000	0.000	0.000	0.000	0.000	0.000
222	A	1577	ASN	0	-0.042	-0.042	95.210	0.000	0.000	0.000	0.000	0.000	0.000
223	A	1578	PHE	0	-0.013	0.006	97.773	0.000	0.000	0.000	0.000	0.000	0.000
224	A	1579	MET	0	-0.043	-0.018	98.587	0.000	0.000	0.000	0.000	0.000	0.000
225	A	1580	ASN	0	-0.145	-0.061	95.375	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	1581	ASP	-1	-0.775	-0.861	98.754	-0.012	-0.012	0.000	0.000	0.000	0.000
227	A	1582	THR	0	0.015	0.003	100.204	0.000	0.000	0.000	0.000	0.000	0.000
228	A	1583	SER	0	-0.035	-0.044	97.875	0.000	0.000	0.000	0.000	0.000	0.000
229	A	1584	LYS	1	0.848	0.940	94.317	0.013	0.013	0.000	0.000	0.000	0.000
230	A	1585	GLN	0	-0.005	-0.013	95.981	0.000	0.000	0.000	0.000	0.000	0.000
231	A	1586	ALA	0	0.004	0.009	91.712	0.000	0.000	0.000	0.000	0.000	0.000
232	A	1587	GLN	0	0.009	-0.007	90.467	0.001	0.001	0.000	0.000	0.000	0.000
233	A	1588	GLY	0	0.035	0.010	88.846	0.000	0.000	0.000	0.000	0.000	0.000
234	A	1589	PHE	0	-0.063	-0.016	86.406	0.000	0.000	0.000	0.000	0.000	0.000
235	A	1590	LYS	1	0.955	0.972	78.289	0.017	0.017	0.000	0.000	0.000	0.000
236	A	1591	LEU	0	0.113	0.038	79.277	0.000	0.000	0.000	0.000	0.000	0.000
237	A	1592	SER	0	-0.060	-0.015	81.203	0.000	0.000	0.000	0.000	0.000	0.000
238	A	1593	THR	0	-0.038	-0.057	82.348	0.000	0.000	0.000	0.000	0.000	0.000
239	A	1594	LEU	0	0.028	0.032	83.121	0.000	0.000	0.000	0.000	0.000	0.000
240	A	1595	GLN	0	0.041	0.028	80.690	0.000	0.000	0.000	0.000	0.000	0.000
241	A	1596	ARG	1	0.856	0.934	82.694	0.015	0.015	0.000	0.000	0.000	0.000
242	A	1597	LEU	0	0.040	0.031	87.650	0.000	0.000	0.000	0.000	0.000	0.000
243	A	1598	THR	0	-0.040	-0.023	87.985	0.000	0.000	0.000	0.000	0.000	0.000
244	A	1599	PHE	0	-0.039	-0.026	84.990	0.000	0.000	0.000	0.000	0.000	0.000
245	A	1600	ILE	0	0.018	0.026	91.137	0.000	0.000	0.000	0.000	0.000	0.000
246	A	1601	LYS	1	0.989	0.996	93.697	0.012	0.012	0.000	0.000	0.000	0.000
247	A	1602	ASP	-1	-0.729	-0.837	97.132	-0.010	-0.010	0.000	0.000	0.000	0.000
248	A	1603	THR	0	-0.024	-0.016	100.901	0.000	0.000	0.000	0.000	0.000	0.000
249	A	1604	THR	0	-0.073	-0.053	103.366	0.000	0.000	0.000	0.000	0.000	0.000
250	A	1605	ASN	0	-0.102	-0.052	98.167	0.000	0.000	0.000	0.000	0.000	0.000
251	A	1606	SER	0	-0.027	-0.013	98.865	0.000	0.000	0.000	0.000	0.000	0.000
252	A	1607	MET	0	-0.020	0.005	97.577	0.000	0.000	0.000	0.000	0.000	0.000
253	A	1608	THR	0	-0.053	-0.036	92.593	0.000	0.000	0.000	0.000	0.000	0.000
254	A	1609	PHE	0	0.023	-0.010	93.763	0.000	0.000	0.000	0.000	0.000	0.000
255	A	1610	LEU	0	0.013	0.011	89.697	0.000	0.000	0.000	0.000	0.000	0.000
256	A	1611	ASN	0	0.020	0.008	93.800	0.000	0.000	0.000	0.000	0.000	0.000
257	A	1612	TYR	0	0.031	0.024	96.230	0.000	0.000	0.000	0.000	0.000	0.000
258	A	1613	VAL	0	0.038	0.040	93.624	0.000	0.000	0.000	0.000	0.000	0.000
259	A	1614	GLU	-1	-0.684	-0.821	94.017	-0.007	-0.007	0.000	0.000	0.000	0.000
260	A	1615	LYS	1	0.899	0.947	95.727	0.008	0.008	0.000	0.000	0.000	0.000
261	A	1616	ILE	0	-0.107	-0.057	99.362	0.000	0.000	0.000	0.000	0.000	0.000
262	A	1617	VAL	0	0.026	0.026	95.072	0.000	0.000	0.000	0.000	0.000	0.000
263	A	1618	ARG	1	0.762	0.834	97.180	0.007	0.007	0.000	0.000	0.000	0.000
264	A	1619	LEU	0	-0.052	-0.031	99.082	0.000	0.000	0.000	0.000	0.000	0.000
265	A	1620	ASN	0	-0.058	-0.029	101.715	0.000	0.000	0.000	0.000	0.000	0.000
266	A	1621	TYR	0	0.005	-0.002	98.348	0.000	0.000	0.000	0.000	0.000	0.000
267	A	1622	PRO	0	-0.006	0.003	97.827	0.000	0.000	0.000	0.000	0.000	0.000
268	A	1623	SER	0	-0.019	-0.004	96.919	0.000	0.000	0.000	0.000	0.000	0.000
269	A	1624	PHE	0	0.053	0.030	93.461	0.000	0.000	0.000	0.000	0.000	0.000
270	A	1625	ASN	0	-0.037	-0.010	92.068	0.000	0.000	0.000	0.000	0.000	0.000
271	A	1626	ASP	-1	-0.821	-0.906	91.082	-0.006	-0.006	0.000	0.000	0.000	0.000
272	A	1627	PHE	0	-0.002	-0.021	86.600	0.000	0.000	0.000	0.000	0.000	0.000
273	A	1628	LEU	0	-0.078	-0.026	86.437	0.000	0.000	0.000	0.000	0.000	0.000
274	A	1629	SER	0	-0.077	-0.047	85.812	0.000	0.000	0.000	0.000	0.000	0.000
275	A	1630	GLU	-1	-0.804	-0.869	84.892	-0.007	-0.007	0.000	0.000	0.000	0.000
276	A	1631	LEU	0	-0.041	-0.023	81.746	0.000	0.000	0.000	0.000	0.000	0.000
277	A	1632	GLU	-1	-0.857	-0.937	81.064	-0.008	-0.008	0.000	0.000	0.000	0.000
278	A	1633	PRO	0	0.051	0.007	76.306	0.000	0.000	0.000	0.000	0.000	0.000
279	A	1634	VAL	0	-0.022	0.001	76.187	0.000	0.000	0.000	0.000	0.000	0.000
280	A	1635	LEU	0	-0.017	-0.011	76.960	-0.001	-0.001	0.000	0.000	0.000	0.000
281	A	1636	ASP	-1	-0.849	-0.907	74.493	-0.009	-0.009	0.000	0.000	0.000	0.000
282	A	1637	VAL	0	-0.047	-0.027	70.385	0.000	0.000	0.000	0.000	0.000	0.000
283	A	1638	VAL	0	0.019	0.033	71.812	-0.001	-0.001	0.000	0.000	0.000	0.000
284	A	1639	LYS	1	0.799	0.894	69.649	0.010	0.010	0.000	0.000	0.000	0.000
285	A	1640	VAL	0	-0.010	-0.001	65.857	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	1641	SER	0	-0.004	0.016	63.622	0.000	0.000	0.000	0.000	0.000	0.000
287	A	1642	ILE	0	0.077	0.031	64.455	0.000	0.000	0.000	0.000	0.000	0.000
288	A	1643	GLU	-1	-0.804	-0.900	61.143	-0.023	-0.023	0.000	0.000	0.000	0.000
289	A	1644	GLN	0	-0.039	-0.024	56.977	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	1645	LEU	0	0.019	0.025	59.448	0.000	0.000	0.000	0.000	0.000	0.000
291	A	1646	VAL	0	0.032	0.020	59.102	0.000	0.000	0.000	0.000	0.000	0.000
292	A	1647	ASN	0	-0.036	-0.031	54.650	0.000	0.000	0.000	0.000	0.000	0.000
293	A	1648	ASP	-1	-0.812	-0.892	55.393	-0.019	-0.019	0.000	0.000	0.000	0.000
294	A	1649	CYS	0	-0.032	-0.012	55.225	0.001	0.001	0.000	0.000	0.000	0.000
295	A	1650	LYS	1	0.936	0.977	52.988	0.028	0.028	0.000	0.000	0.000	0.000
296	A	1651	ASP	-1	-0.906	-0.978	51.116	-0.028	-0.028	0.000	0.000	0.000	0.000
297	A	1652	PHE	0	-0.004	0.026	50.647	0.000	0.000	0.000	0.000	0.000	0.000
298	A	1653	SER	0	0.059	0.020	50.916	0.001	0.001	0.000	0.000	0.000	0.000
299	A	1654	GLN	0	-0.010	0.006	45.924	-0.001	-0.001	0.000	0.000	0.000	0.000
300	A	1655	SER	0	-0.055	-0.039	46.581	-0.001	-0.001	0.000	0.000	0.000	0.000
301	A	1656	ILE	0	0.000	-0.008	45.710	0.000	0.000	0.000	0.000	0.000	0.000
302	A	1657	VAL	0	0.033	0.026	44.060	0.000	0.000	0.000	0.000	0.000	0.000
303	A	1658	ASN	0	-0.132	-0.065	42.116	-0.003	-0.003	0.000	0.000	0.000	0.000
304	A	1659	VAL	0	0.029	0.019	41.013	0.000	0.000	0.000	0.000	0.000	0.000
305	A	1660	GLU	-1	-0.845	-0.921	40.527	-0.011	-0.011	0.000	0.000	0.000	0.000
306	A	1661	ARG	1	1.043	1.037	34.956	0.048	0.048	0.000	0.000	0.000	0.000
307	A	1662	SER	0	-0.128	-0.087	36.341	-0.001	-0.001	0.000	0.000	0.000	0.000
308	A	1663	VAL	0	-0.021	-0.031	35.762	0.002	0.002	0.000	0.000	0.000	0.000
309	A	1664	GLU	-1	-0.951	-0.971	36.139	-0.014	-0.014	0.000	0.000	0.000	0.000
310	A	1665	ILE	0	-0.049	-0.043	33.214	0.000	0.000	0.000	0.000	0.000	0.000
311	A	1666	GLY	0	-0.019	0.006	32.637	-0.007	-0.007	0.000	0.000	0.000	0.000
312	A	1667	ASN	0	-0.051	-0.024	31.078	0.000	0.000	0.000	0.000	0.000	0.000
313	A	1668	LEU	0	-0.034	-0.019	32.088	0.004	0.004	0.000	0.000	0.000	0.000
314	A	1669	SER	0	-0.028	-0.006	31.371	0.006	0.006	0.000	0.000	0.000	0.000
315	A	1670	ASP	-1	-0.830	-0.907	26.251	0.015	0.015	0.000	0.000	0.000	0.000
316	A	1671	SER	0	0.001	-0.014	29.824	0.001	0.001	0.000	0.000	0.000	0.000
317	A	1672	SER	0	-0.137	-0.080	25.714	0.003	0.003	0.000	0.000	0.000	0.000
318	A	1673	LYS	1	0.869	0.910	24.845	0.045	0.045	0.000	0.000	0.000	0.000
319	A	1674	PHE	0	-0.046	-0.005	27.617	-0.004	-0.004	0.000	0.000	0.000	0.000
320	A	1675	HIS	0	0.091	0.054	29.944	0.009	0.009	0.000	0.000	0.000	0.000
321	A	1676	PRO	0	-0.007	-0.005	29.783	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	1677	LEU	0	-0.064	-0.037	32.326	0.001	0.001	0.000	0.000	0.000	0.000
323	A	1678	ASP	-1	-0.759	-0.836	34.916	0.004	0.004	0.000	0.000	0.000	0.000
324	A	1679	LYS	1	0.809	0.905	36.573	-0.028	-0.028	0.000	0.000	0.000	0.000
325	A	1680	VAL	0	0.085	0.041	37.841	-0.002	-0.002	0.000	0.000	0.000	0.000
326	A	1681	LEU	0	0.103	0.061	35.178	0.000	0.000	0.000	0.000	0.000	0.000
327	A	1682	ILE	0	-0.041	-0.008	39.364	-0.001	-0.001	0.000	0.000	0.000	0.000
328	A	1683	LYS	1	0.884	0.932	41.619	-0.014	-0.014	0.000	0.000	0.000	0.000
329	A	1684	THR	0	0.028	0.003	41.730	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	1685	LEU	0	-0.003	0.000	38.875	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	1686	PRO	0	-0.034	-0.023	43.133	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	1687	VAL	0	-0.016	0.007	46.546	0.000	0.000	0.000	0.000	0.000	0.000
333	A	1688	LEU	0	0.058	0.024	42.627	-0.001	-0.001	0.000	0.000	0.000	0.000
334	A	1689	PRO	0	0.026	0.017	46.586	-0.002	-0.002	0.000	0.000	0.000	0.000
335	A	1690	GLU	-1	-0.805	-0.891	49.463	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	1691	ALA	0	-0.014	-0.008	49.323	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	1692	ARG	1	0.868	0.915	47.929	0.010	0.010	0.000	0.000	0.000	0.000
338	A	1693	LYS	1	0.799	0.896	50.866	0.000	0.000	0.000	0.000	0.000	0.000
339	A	1694	LYS	1	0.822	0.895	54.148	0.002	0.002	0.000	0.000	0.000	0.000
340	A	1695	GLY	0	-0.011	-0.006	52.968	-0.001	-0.001	0.000	0.000	0.000	0.000
341	A	1696	ASP	-1	-0.786	-0.866	53.447	-0.012	-0.012	0.000	0.000	0.000	0.000
342	A	1697	LEU	0	-0.036	-0.022	55.842	0.000	0.000	0.000	0.000	0.000	0.000
343	A	1698	LEU	0	-0.027	-0.016	57.190	0.000	0.000	0.000	0.000	0.000	0.000
344	A	1699	GLU	-1	-0.863	-0.930	54.024	-0.019	-0.019	0.000	0.000	0.000	0.000
345	A	1700	ASP	-1	-0.877	-0.934	58.117	-0.013	-0.013	0.000	0.000	0.000	0.000
346	A	1701	GLU	-1	-0.790	-0.868	61.352	-0.009	-0.009	0.000	0.000	0.000	0.000
347	A	1702	VAL	0	0.003	0.003	59.850	0.000	0.000	0.000	0.000	0.000	0.000
348	A	1703	LYS	1	0.756	0.868	57.257	0.016	0.016	0.000	0.000	0.000	0.000
349	A	1704	LEU	0	-0.023	0.010	62.960	0.000	0.000	0.000	0.000	0.000	0.000
350	A	1705	THR	0	0.036	-0.018	66.041	0.000	0.000	0.000	0.000	0.000	0.000
351	A	1706	ILE	0	-0.087	-0.048	62.405	0.000	0.000	0.000	0.000	0.000	0.000
352	A	1707	MET	0	0.019	0.027	66.817	0.000	0.000	0.000	0.000	0.000	0.000
353	A	1708	GLU	-1	-0.923	-0.961	68.649	-0.011	-0.011	0.000	0.000	0.000	0.000
354	A	1709	PHE	0	-0.037	-0.027	69.516	0.000	0.000	0.000	0.000	0.000	0.000
355	A	1710	GLU	-1	-0.853	-0.944	66.644	-0.019	-0.019	0.000	0.000	0.000	0.000
356	A	1711	SER	0	-0.022	0.000	71.137	0.000	0.000	0.000	0.000	0.000	0.000
357	A	1712	LEU	0	-0.037	-0.017	74.115	0.000	0.000	0.000	0.000	0.000	0.000
358	A	1713	MET	0	-0.077	-0.026	71.576	0.000	0.000	0.000	0.000	0.000	0.000
359	A	1714	HIS	0	0.044	0.028	75.107	0.000	0.000	0.000	0.000	0.000	0.000
360	A	1715	THR	0	-0.037	-0.005	76.763	0.000	0.000	0.000	0.000	0.000	0.000
361	A	1716	TYR	0	-0.077	-0.043	79.226	0.000	0.000	0.000	0.000	0.000	0.000
362	A	1717	GLY	0	-0.047	-0.026	79.966	0.000	0.000	0.000	0.000	0.000	0.000
363	A	1718	GLU	-1	-0.923	-0.940	75.947	-0.017	-0.017	0.000	0.000	0.000	0.000
364	A	1719	ASP	-1	-0.771	-0.889	71.621	-0.020	-0.020	0.000	0.000	0.000	0.000
365	A	1720	SER	0	0.005	-0.026	69.765	0.001	0.001	0.000	0.000	0.000	0.000
366	A	1721	GLY	0	-0.052	-0.016	67.609	0.000	0.000	0.000	0.000	0.000	0.000
367	A	1722	ASP	-1	-0.847	-0.931	66.767	-0.023	-0.023	0.000	0.000	0.000	0.000
368	A	1723	LYS	1	0.850	0.917	62.157	0.025	0.025	0.000	0.000	0.000	0.000
369	A	1724	PHE	0	-0.018	-0.027	66.860	0.001	0.001	0.000	0.000	0.000	0.000
370	A	1725	ALA	0	-0.022	-0.016	69.687	0.001	0.001	0.000	0.000	0.000	0.000
371	A	1726	LYS	1	0.925	0.955	64.850	0.022	0.022	0.000	0.000	0.000	0.000
372	A	1727	ILE	0	-0.063	-0.018	65.417	0.001	0.001	0.000	0.000	0.000	0.000
373	A	1728	SER	0	-0.012	-0.016	69.530	0.001	0.001	0.000	0.000	0.000	0.000
374	A	1729	PHE	0	-0.020	0.006	72.961	0.001	0.001	0.000	0.000	0.000	0.000
375	A	1730	PHE	0	0.106	0.047	71.452	0.000	0.000	0.000	0.000	0.000	0.000
376	A	1731	LYS	1	0.873	0.906	74.405	0.015	0.015	0.000	0.000	0.000	0.000
377	A	1732	LYS	1	0.832	0.910	75.086	0.017	0.017	0.000	0.000	0.000	0.000
378	A	1733	PHE	0	0.016	0.024	78.180	0.000	0.000	0.000	0.000	0.000	0.000
379	A	1734	ALA	0	0.066	0.021	77.887	0.000	0.000	0.000	0.000	0.000	0.000
380	A	1735	ASP	-1	-0.867	-0.927	78.853	-0.014	-0.014	0.000	0.000	0.000	0.000
381	A	1736	PHE	0	0.035	0.017	81.192	0.000	0.000	0.000	0.000	0.000	0.000
382	A	1737	ILE	0	0.036	0.022	81.603	0.000	0.000	0.000	0.000	0.000	0.000
383	A	1738	ASN	0	-0.039	-0.030	80.725	0.001	0.001	0.000	0.000	0.000	0.000
384	A	1739	GLU	-1	-0.857	-0.934	84.793	-0.011	-0.011	0.000	0.000	0.000	0.000
385	A	1740	TYR	0	-0.023	-0.017	86.926	0.000	0.000	0.000	0.000	0.000	0.000
386	A	1741	LYS	1	0.952	0.984	83.874	0.009	0.009	0.000	0.000	0.000	0.000
387	A	1742	LYS	1	0.826	0.914	87.061	0.012	0.012	0.000	0.000	0.000	0.000
388	A	1743	ALA	0	0.019	-0.001	90.029	0.000	0.000	0.000	0.000	0.000	0.000
389	A	1744	GLN	0	-0.084	-0.039	92.384	0.000	0.000	0.000	0.000	0.000	0.000
390	A	1745	ALA	0	0.001	-0.003	92.818	0.000	0.000	0.000	0.000	0.000	0.000
391	A	1746	GLN	0	0.003	0.001	93.817	0.000	0.000	0.000	0.000	0.000	0.000
392	A	1747	ASN	0	-0.103	-0.086	96.443	0.000	0.000	0.000	0.000	0.000	0.000
393	A	1748	LEU	0	-0.051	-0.032	96.125	0.000	0.000	0.000	0.000	0.000	0.000
394	A	1749	ALA	0	-0.006	0.022	99.023	0.000	0.000	0.000	0.000	0.000	0.000
395	A	1750	ALA	0	0.082	0.018	100.856	0.000	0.000	0.000	0.000	0.000	0.000
396	A	1751	GLU	-1	-0.831	-0.881	101.730	-0.007	-0.007	0.000	0.000	0.000	0.000
397	A	1752	GLU	-1	-0.949	-0.967	103.688	-0.005	-0.005	0.000	0.000	0.000	0.000
398	A	1753	GLU	-1	-0.854	-0.934	102.184	-0.007	-0.007	0.000	0.000	0.000	0.000
399	A	1754	GLU	-1	-0.938	-0.957	106.517	-0.007	-0.007	0.000	0.000	0.000	0.000
400	A	1755	ARG	1	0.861	0.916	105.159	0.006	0.006	0.000	0.000	0.000	0.000
401	A	1756	LEU	0	-0.072	-0.045	107.180	0.000	0.000	0.000	0.000	0.000	0.000
402	A	1757	TYR	0	0.057	0.033	110.856	0.000	0.000	0.000	0.000	0.000	0.000
403	A	1758	ILE	0	0.009	0.002	112.509	0.000	0.000	0.000	0.000	0.000	0.000
404	A	1759	LYS	1	0.935	0.974	113.405	0.005	0.005	0.000	0.000	0.000	0.000
405	A	1760	HIS	0	-0.039	-0.040	114.668	0.000	0.000	0.000	0.000	0.000	0.000
406	A	1761	LYS	1	0.856	0.930	116.529	0.006	0.006	0.000	0.000	0.000	0.000
407	A	1762	LYS	1	0.933	0.967	118.160	0.005	0.005	0.000	0.000	0.000	0.000
408	A	1763	ILE	0	-0.028	0.000	118.498	0.000	0.000	0.000	0.000	0.000	0.000
409	A	1764	VAL	0	-0.022	-0.019	119.431	0.000	0.000	0.000	0.000	0.000	0.000
410	A	1765	GLU	-1	-0.852	-0.883	121.616	-0.005	-0.005	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:1352:PRO)