FMO DATABASE

FMODB ID: K3MM3

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	OptH
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	-6094856.760931
FMO2-HF: Nuclear repulsion	5930637.711158
FMO2-HF: Total energy	-164219.049773
FMO2-MP2: Total energy	-164702.976997

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.
-15.872	-10.193	6.765	-4.563	-7.879	-0.033

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 : 0.053 / q_NPA : 0.019

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	0.051	0.040	3.813	-1.696	0.741	-0.032	-1.226	-1.179	0.005
4	A	1355	HIS	0	0.051	0.024	6.961	0.343	0.343	0.000	0.000	0.000	0.000
5	A	1356	LYS	1	0.923	0.963	9.636	-0.224	-0.224	0.000	0.000	0.000	0.000
6	A	1357	LYS	1	0.952	0.974	11.765	-0.237	-0.237	0.000	0.000	0.000	0.000
7	A	1358	LEU	0	0.043	0.023	9.284	-0.009	-0.009	0.000	0.000	0.000	0.000
8	A	1359	LYS	1	0.879	0.938	13.450	0.166	0.166	0.000	0.000	0.000	0.000
9	A	1360	GLN	0	-0.019	-0.002	11.939	-0.062	-0.062	0.000	0.000	0.000	0.000
10	A	1361	LEU	0	0.007	0.003	13.883	0.016	0.016	0.000	0.000	0.000	0.000
11	A	1362	HIS	0	0.030	0.022	15.705	-0.026	-0.026	0.000	0.000	0.000	0.000
12	A	1363	TRP	0	-0.069	-0.038	11.709	-0.061	-0.061	0.000	0.000	0.000	0.000
13	A	1364	GLU	-1	-0.853	-0.916	18.789	-0.162	-0.162	0.000	0.000	0.000	0.000
14	A	1365	LYS	1	0.907	0.958	15.372	0.149	0.149	0.000	0.000	0.000	0.000
15	A	1366	LEU	0	0.027	-0.004	17.336	0.023	0.023	0.000	0.000	0.000	0.000
16	A	1367	ASP	-1	-0.944	-0.968	18.056	-0.153	-0.153	0.000	0.000	0.000	0.000
17	A	1368	CYS	0	-0.090	-0.052	17.550	0.019	0.019	0.000	0.000	0.000	0.000
18	A	1369	THR	0	-0.017	-0.005	14.921	-0.023	-0.023	0.000	0.000	0.000	0.000
19	A	1370	ASP	-1	-0.828	-0.896	17.642	-0.167	-0.167	0.000	0.000	0.000	0.000
20	A	1371	ASN	0	-0.051	-0.025	20.521	-0.024	-0.024	0.000	0.000	0.000	0.000
21	A	1372	SER	0	-0.016	-0.027	20.009	0.007	0.007	0.000	0.000	0.000	0.000
22	A	1373	ILE	0	-0.036	-0.008	17.810	0.004	0.004	0.000	0.000	0.000	0.000
23	A	1374	TRP	0	0.009	0.000	14.182	-0.096	-0.096	0.000	0.000	0.000	0.000
24	A	1375	GLY	0	0.076	0.032	14.420	0.054	0.054	0.000	0.000	0.000	0.000
25	A	1376	THR	0	-0.089	-0.050	14.227	-0.063	-0.063	0.000	0.000	0.000	0.000
26	A	1377	GLY	0	0.123	0.061	10.601	0.046	0.046	0.000	0.000	0.000	0.000
27	A	1378	LYS	1	0.855	0.918	9.262	0.381	0.381	0.000	0.000	0.000	0.000
28	A	1379	ALA	0	0.041	0.032	8.243	-0.079	-0.079	0.000	0.000	0.000	0.000
29	A	1380	GLU	-1	-0.825	-0.926	4.831	-1.984	-1.984	0.000	0.000	0.000	0.000
30	A	1381	LYS	1	0.851	0.923	5.414	0.244	0.244	0.000	0.000	0.000	0.000
31	A	1382	PHE	0	-0.002	0.009	7.287	0.310	0.310	0.000	0.000	0.000	0.000
32	A	1383	ALA	0	0.021	0.016	3.269	-0.366	0.106	0.048	-0.117	-0.402	0.000
33	A	1384	ASP	-1	-0.843	-0.939	2.228	-14.341	-12.016	6.568	-3.748	-5.146	-0.036
34	A	1385	ASP	-1	-0.904	-0.941	2.972	1.190	0.416	0.085	0.871	-0.182	0.000
35	A	1386	LEU	0	-0.013	-0.015	5.893	0.502	0.502	0.000	0.000	0.000	0.000
36	A	1387	TYR	0	-0.046	-0.027	3.170	-0.404	0.596	0.093	-0.309	-0.783	-0.002
37	A	1388	GLU	-1	-0.919	-0.950	5.239	-0.111	-0.095	-0.001	-0.001	-0.014	0.000
38	A	1389	LYS	1	0.829	0.927	7.811	0.943	0.943	0.000	0.000	0.000	0.000
39	A	1390	GLY	0	0.007	0.015	8.682	0.088	0.088	0.000	0.000	0.000	0.000
40	A	1391	VAL	0	0.012	-0.013	9.499	0.000	0.000	0.000	0.000	0.000	0.000
41	A	1392	LEU	0	-0.019	0.004	3.861	-0.108	0.095	0.004	-0.033	-0.173	0.000
42	A	1393	ALA	0	0.065	0.007	7.889	0.108	0.108	0.000	0.000	0.000	0.000
43	A	1394	ASP	-1	-0.945	-0.949	8.619	-0.203	-0.203	0.000	0.000	0.000	0.000
44	A	1395	LEU	0	-0.029	-0.021	9.268	0.060	0.060	0.000	0.000	0.000	0.000
45	A	1396	GLU	-1	-0.965	-0.975	7.176	0.249	0.249	0.000	0.000	0.000	0.000
46	A	1397	LYS	1	0.885	0.938	10.450	0.098	0.098	0.000	0.000	0.000	0.000
47	A	1398	ALA	0	0.009	0.020	14.104	-0.037	-0.037	0.000	0.000	0.000	0.000
48	A	1399	PHE	0	-0.062	-0.053	13.503	0.018	0.018	0.000	0.000	0.000	0.000
49	A	1400	ALA	0	0.027	0.005	14.443	0.010	0.010	0.000	0.000	0.000	0.000
50	A	1401	ALA	0	0.011	0.013	16.694	-0.011	-0.011	0.000	0.000	0.000	0.000
51	A	1402	ARG	1	0.882	0.935	19.119	0.032	0.032	0.000	0.000	0.000	0.000
52	A	1403	GLU	-1	-0.902	-0.962	22.904	0.073	0.073	0.000	0.000	0.000	0.000
53	A	1404	ILE	0	0.029	0.026	25.607	-0.006	-0.006	0.000	0.000	0.000	0.000
54	A	1405	LYS	1	0.951	0.964	29.381	0.021	0.021	0.000	0.000	0.000	0.000
55	A	1406	SER	0	-0.058	-0.025	31.681	-0.001	-0.001	0.000	0.000	0.000	0.000
56	A	1407	LEU	0	0.085	0.045	33.597	-0.004	-0.004	0.000	0.000	0.000	0.000
57	A	1408	ALA	0	-0.018	0.000	36.384	-0.003	-0.003	0.000	0.000	0.000	0.000
58	A	1409	SER	0	0.031	-0.015	39.075	-0.003	-0.003	0.000	0.000	0.000	0.000
59	A	1410	LYS	1	0.954	0.981	34.205	0.021	0.021	0.000	0.000	0.000	0.000
60	A	1411	GLU	-1	-0.913	-0.930	40.184	-0.011	-0.011	0.000	0.000	0.000	0.000
61	A	1412	PHE	0	-0.082	-0.028	40.229	-0.002	-0.002	0.000	0.000	0.000	0.000
62	A	1417	LYS	1	0.914	0.946	40.285	0.023	0.023	0.000	0.000	0.000	0.000
63	A	1418	ILE	0	-0.071	-0.017	37.001	0.000	0.000	0.000	0.000	0.000	0.000
64	A	1419	THR	0	-0.005	-0.016	39.362	0.003	0.003	0.000	0.000	0.000	0.000
65	A	1420	PHE	0	-0.060	-0.023	33.694	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	1421	LEU	0	-0.013	0.013	38.246	-0.003	-0.003	0.000	0.000	0.000	0.000
67	A	1422	SER	0	0.004	0.019	40.451	0.002	0.002	0.000	0.000	0.000	0.000
68	A	1423	ARG	1	0.965	0.959	43.414	0.044	0.044	0.000	0.000	0.000	0.000
69	A	1424	ASP	-1	-0.880	-0.927	46.362	-0.045	-0.045	0.000	0.000	0.000	0.000
70	A	1425	ILE	0	0.111	0.035	41.938	0.003	0.003	0.000	0.000	0.000	0.000
71	A	1426	SER	0	-0.021	-0.021	44.195	0.003	0.003	0.000	0.000	0.000	0.000
72	A	1427	GLN	0	-0.024	0.002	45.155	0.003	0.003	0.000	0.000	0.000	0.000
73	A	1428	GLN	0	0.012	-0.008	46.778	0.003	0.003	0.000	0.000	0.000	0.000
74	A	1429	PHE	0	0.029	0.009	40.918	0.002	0.002	0.000	0.000	0.000	0.000
75	A	1430	GLY	0	-0.044	-0.011	46.500	0.002	0.002	0.000	0.000	0.000	0.000
76	A	1431	ILE	0	0.012	0.006	49.283	0.002	0.002	0.000	0.000	0.000	0.000
77	A	1432	ASN	0	-0.033	-0.009	48.909	0.001	0.001	0.000	0.000	0.000	0.000
78	A	1433	LEU	0	0.040	0.023	44.957	0.001	0.001	0.000	0.000	0.000	0.000
79	A	1434	HIS	0	-0.040	-0.023	49.482	0.003	0.003	0.000	0.000	0.000	0.000
80	A	1435	MET	0	-0.015	0.031	52.013	0.001	0.001	0.000	0.000	0.000	0.000
81	A	1436	TYR	0	0.038	-0.012	48.368	0.001	0.001	0.000	0.000	0.000	0.000
82	A	1437	SER	0	-0.076	-0.063	49.161	0.000	0.000	0.000	0.000	0.000	0.000
83	A	1438	SER	0	-0.037	-0.024	50.269	0.000	0.000	0.000	0.000	0.000	0.000
84	A	1439	LEU	0	-0.029	0.023	46.959	0.002	0.002	0.000	0.000	0.000	0.000
85	A	1440	SER	0	0.030	0.013	43.976	-0.002	-0.002	0.000	0.000	0.000	0.000
86	A	1441	VAL	0	0.078	0.016	39.456	0.000	0.000	0.000	0.000	0.000	0.000
87	A	1442	ALA	0	0.009	0.018	39.250	-0.001	-0.001	0.000	0.000	0.000	0.000
88	A	1443	ASP	-1	-0.925	-0.976	40.231	-0.005	-0.005	0.000	0.000	0.000	0.000
89	A	1444	LEU	0	-0.068	-0.015	42.709	0.000	0.000	0.000	0.000	0.000	0.000
90	A	1445	VAL	0	0.028	0.000	37.610	-0.001	-0.001	0.000	0.000	0.000	0.000
91	A	1446	LYS	1	0.944	0.984	39.952	0.001	0.001	0.000	0.000	0.000	0.000
92	A	1447	LYS	1	0.881	0.951	40.852	0.013	0.013	0.000	0.000	0.000	0.000
93	A	1448	ILE	0	0.021	0.015	40.231	0.000	0.000	0.000	0.000	0.000	0.000
94	A	1449	LEU	0	0.004	0.005	35.707	-0.001	-0.001	0.000	0.000	0.000	0.000
95	A	1450	ASN	0	0.008	0.000	39.359	0.001	0.001	0.000	0.000	0.000	0.000
96	A	1451	CYS	0	-0.089	-0.036	41.344	0.000	0.000	0.000	0.000	0.000	0.000
97	A	1452	ASP	-1	-0.833	-0.912	44.148	-0.011	-0.011	0.000	0.000	0.000	0.000
98	A	1453	ARG	1	0.964	0.982	47.216	0.011	0.011	0.000	0.000	0.000	0.000
99	A	1454	ASP	-1	-0.853	-0.949	50.616	-0.016	-0.016	0.000	0.000	0.000	0.000
100	A	1455	PHE	0	0.011	0.018	43.685	-0.001	-0.001	0.000	0.000	0.000	0.000
101	A	1456	LEU	0	0.019	0.011	45.694	-0.002	-0.002	0.000	0.000	0.000	0.000
102	A	1457	GLN	0	-0.081	-0.041	49.382	0.001	0.001	0.000	0.000	0.000	0.000
103	A	1458	THR	0	-0.017	-0.022	51.358	0.001	0.001	0.000	0.000	0.000	0.000
104	A	1459	PRO	0	0.046	0.013	51.017	-0.002	-0.002	0.000	0.000	0.000	0.000
105	A	1460	SER	0	0.034	0.015	50.917	-0.002	-0.002	0.000	0.000	0.000	0.000
106	A	1461	VAL	0	-0.003	0.007	46.802	-0.002	-0.002	0.000	0.000	0.000	0.000
107	A	1462	VAL	0	0.020	0.021	46.312	-0.003	-0.003	0.000	0.000	0.000	0.000
108	A	1463	GLU	-1	-0.939	-0.971	46.322	-0.039	-0.039	0.000	0.000	0.000	0.000
109	A	1464	PHE	0	-0.003	-0.014	44.805	-0.003	-0.003	0.000	0.000	0.000	0.000
110	A	1465	LEU	0	-0.060	-0.032	41.950	-0.003	-0.003	0.000	0.000	0.000	0.000
111	A	1466	SER	0	0.044	0.001	41.999	-0.004	-0.004	0.000	0.000	0.000	0.000
112	A	1467	LYS	1	0.942	0.986	43.461	0.041	0.041	0.000	0.000	0.000	0.000
113	A	1468	SER	0	0.092	0.042	41.725	0.000	0.000	0.000	0.000	0.000	0.000
114	A	1469	GLU	-1	-0.952	-0.977	40.980	-0.056	-0.056	0.000	0.000	0.000	0.000
115	A	1470	ILE	0	-0.074	-0.025	40.990	0.000	0.000	0.000	0.000	0.000	0.000
116	A	1471	ILE	0	-0.038	-0.020	36.678	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	1472	GLU	-1	-0.987	-0.994	36.448	-0.087	-0.087	0.000	0.000	0.000	0.000
118	A	1473	VAL	0	0.072	0.043	32.002	0.003	0.003	0.000	0.000	0.000	0.000
119	A	1474	SER	0	-0.060	-0.021	33.218	-0.008	-0.008	0.000	0.000	0.000	0.000
120	A	1475	VAL	0	0.108	0.023	28.633	-0.001	-0.001	0.000	0.000	0.000	0.000
121	A	1476	ASN	0	-0.072	-0.051	29.953	-0.007	-0.007	0.000	0.000	0.000	0.000
122	A	1477	LEU	0	0.036	0.027	31.122	-0.003	-0.003	0.000	0.000	0.000	0.000
123	A	1478	ALA	0	0.106	0.066	28.622	0.005	0.005	0.000	0.000	0.000	0.000
124	A	1479	ARG	1	0.907	0.962	26.589	0.145	0.145	0.000	0.000	0.000	0.000
125	A	1480	ASN	0	-0.089	-0.057	27.796	0.000	0.000	0.000	0.000	0.000	0.000
126	A	1481	TYR	0	0.069	0.020	30.087	0.006	0.006	0.000	0.000	0.000	0.000
127	A	1482	ALA	0	0.051	0.043	24.778	0.006	0.006	0.000	0.000	0.000	0.000
128	A	1483	PRO	0	-0.087	-0.034	25.540	0.005	0.005	0.000	0.000	0.000	0.000
129	A	1484	TYR	0	-0.059	-0.041	26.590	0.010	0.010	0.000	0.000	0.000	0.000
130	A	1485	SER	0	-0.035	-0.014	25.974	0.003	0.003	0.000	0.000	0.000	0.000
131	A	1486	THR	0	-0.021	-0.030	25.795	0.014	0.014	0.000	0.000	0.000	0.000
132	A	1487	ASP	-1	-0.846	-0.919	21.561	-0.137	-0.137	0.000	0.000	0.000	0.000
133	A	1488	TRP	0	-0.030	-0.028	24.623	0.006	0.006	0.000	0.000	0.000	0.000
134	A	1489	GLU	-1	-0.825	-0.920	22.846	-0.122	-0.122	0.000	0.000	0.000	0.000
135	A	1490	GLY	0	-0.065	-0.009	22.323	-0.003	-0.003	0.000	0.000	0.000	0.000
136	A	1491	VAL	0	-0.079	-0.030	23.272	0.017	0.017	0.000	0.000	0.000	0.000
137	A	1492	ARG	1	0.967	0.974	25.904	-0.016	-0.016	0.000	0.000	0.000	0.000
138	A	1493	ASN	0	0.020	0.008	28.543	-0.006	-0.006	0.000	0.000	0.000	0.000
139	A	1494	LEU	0	-0.010	-0.006	29.181	-0.003	-0.003	0.000	0.000	0.000	0.000
140	A	1495	GLU	-1	-0.961	-0.985	30.079	0.039	0.039	0.000	0.000	0.000	0.000
141	A	1496	ASP	-1	-0.921	-0.962	25.711	0.047	0.047	0.000	0.000	0.000	0.000
142	A	1497	ALA	0	-0.016	0.006	25.308	0.001	0.001	0.000	0.000	0.000	0.000
143	A	1498	LYS	1	0.918	0.951	23.452	-0.068	-0.068	0.000	0.000	0.000	0.000
144	A	1499	PRO	0	-0.043	-0.032	21.793	0.003	0.003	0.000	0.000	0.000	0.000
145	A	1500	PRO	0	0.044	0.052	24.407	-0.008	-0.008	0.000	0.000	0.000	0.000
146	A	1501	GLU	-1	-0.915	-0.959	22.319	-0.085	-0.085	0.000	0.000	0.000	0.000
147	A	1502	LYS	1	0.812	0.889	25.594	0.063	0.063	0.000	0.000	0.000	0.000
148	A	1503	ASP	-1	-0.854	-0.938	28.960	-0.010	-0.010	0.000	0.000	0.000	0.000
149	A	1504	PRO	0	0.090	0.024	31.862	-0.002	-0.002	0.000	0.000	0.000	0.000
150	A	1505	ASN	0	-0.010	0.014	34.520	0.000	0.000	0.000	0.000	0.000	0.000
151	A	1506	ASP	-1	-0.977	-0.982	35.091	-0.022	-0.022	0.000	0.000	0.000	0.000
152	A	1507	LEU	0	-0.036	-0.012	34.211	-0.004	-0.004	0.000	0.000	0.000	0.000
153	A	1508	GLN	0	-0.007	-0.017	38.411	0.007	0.007	0.000	0.000	0.000	0.000
154	A	1509	ARG	1	0.943	0.989	40.726	0.022	0.022	0.000	0.000	0.000	0.000
155	A	1510	ALA	0	0.036	0.015	41.668	-0.001	-0.001	0.000	0.000	0.000	0.000
156	A	1511	ASP	-1	-0.693	-0.853	37.443	-0.052	-0.052	0.000	0.000	0.000	0.000
157	A	1512	GLN	0	-0.038	-0.033	36.958	-0.001	-0.001	0.000	0.000	0.000	0.000
158	A	1513	ILE	0	-0.036	-0.006	37.089	0.000	0.000	0.000	0.000	0.000	0.000
159	A	1514	TYR	0	0.017	-0.010	35.541	-0.001	-0.001	0.000	0.000	0.000	0.000
160	A	1515	LEU	0	-0.019	-0.008	31.344	-0.004	-0.004	0.000	0.000	0.000	0.000
161	A	1516	GLN	0	-0.027	-0.064	33.239	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	1517	LEU	0	-0.013	-0.010	34.280	0.001	0.001	0.000	0.000	0.000	0.000
163	A	1518	MET	0	-0.053	-0.014	34.281	-0.002	-0.002	0.000	0.000	0.000	0.000
164	A	1519	VAL	0	0.044	0.045	30.214	-0.006	-0.006	0.000	0.000	0.000	0.000
165	A	1520	ASN	0	-0.018	0.010	29.147	-0.011	-0.011	0.000	0.000	0.000	0.000
166	A	1521	LEU	0	-0.025	0.001	29.157	-0.002	-0.002	0.000	0.000	0.000	0.000
167	A	1522	GLU	-1	-0.899	-0.948	29.857	-0.113	-0.113	0.000	0.000	0.000	0.000
168	A	1523	SER	0	0.007	0.002	26.570	0.001	0.001	0.000	0.000	0.000	0.000
169	A	1524	TYR	0	-0.086	-0.073	29.517	0.000	0.000	0.000	0.000	0.000	0.000
170	A	1525	TRP	0	0.078	0.033	32.781	0.007	0.007	0.000	0.000	0.000	0.000
171	A	1526	GLY	0	0.052	0.029	35.627	0.004	0.004	0.000	0.000	0.000	0.000
172	A	1527	SER	0	-0.037	-0.037	34.808	0.003	0.003	0.000	0.000	0.000	0.000
173	A	1528	ARG	1	0.768	0.907	36.375	0.043	0.043	0.000	0.000	0.000	0.000
174	A	1529	MET	0	-0.033	-0.023	38.068	0.006	0.006	0.000	0.000	0.000	0.000
175	A	1530	ARG	1	0.943	0.980	37.397	0.073	0.073	0.000	0.000	0.000	0.000
176	A	1531	ALA	0	0.036	0.032	40.964	0.002	0.002	0.000	0.000	0.000	0.000
177	A	1532	LEU	0	0.025	-0.011	41.252	0.003	0.003	0.000	0.000	0.000	0.000
178	A	1533	THR	0	-0.056	-0.031	44.192	0.003	0.003	0.000	0.000	0.000	0.000
179	A	1534	VAL	0	0.075	0.030	46.074	0.002	0.002	0.000	0.000	0.000	0.000
180	A	1535	VAL	0	-0.081	-0.045	44.469	0.002	0.002	0.000	0.000	0.000	0.000
181	A	1536	THR	0	-0.113	-0.056	47.624	0.003	0.003	0.000	0.000	0.000	0.000
182	A	1537	SER	0	-0.012	-0.012	50.394	0.000	0.000	0.000	0.000	0.000	0.000
183	A	1538	TYR	0	0.089	0.051	51.201	0.001	0.001	0.000	0.000	0.000	0.000
184	A	1539	GLU	-1	-0.911	-0.951	53.032	-0.020	-0.020	0.000	0.000	0.000	0.000
185	A	1540	ARG	1	0.917	0.959	53.741	0.030	0.030	0.000	0.000	0.000	0.000
186	A	1541	GLU	-1	-0.874	-0.933	51.651	-0.036	-0.036	0.000	0.000	0.000	0.000
187	A	1542	TYR	0	0.024	0.012	56.358	0.001	0.001	0.000	0.000	0.000	0.000
188	A	1543	ASN	0	-0.018	-0.011	57.949	0.001	0.001	0.000	0.000	0.000	0.000
189	A	1544	GLU	-1	-0.946	-0.985	58.885	-0.027	-0.027	0.000	0.000	0.000	0.000
190	A	1545	LEU	0	-0.021	-0.021	56.777	0.000	0.000	0.000	0.000	0.000	0.000
191	A	1546	LEU	0	0.033	0.019	60.934	0.000	0.000	0.000	0.000	0.000	0.000
192	A	1547	ALA	0	-0.014	0.002	63.104	0.001	0.001	0.000	0.000	0.000	0.000
193	A	1548	LYS	1	0.848	0.926	60.865	0.030	0.030	0.000	0.000	0.000	0.000
194	A	1549	LEU	0	0.080	0.027	62.326	0.000	0.000	0.000	0.000	0.000	0.000
195	A	1550	ARG	1	1.015	1.009	65.980	0.020	0.020	0.000	0.000	0.000	0.000
196	A	1551	LYS	1	0.771	0.877	68.826	0.021	0.021	0.000	0.000	0.000	0.000
197	A	1552	VAL	0	0.003	0.009	67.396	0.000	0.000	0.000	0.000	0.000	0.000
198	A	1553	ASP	-1	-0.696	-0.813	69.392	-0.022	-0.022	0.000	0.000	0.000	0.000
199	A	1554	LYS	1	0.897	0.958	71.995	0.018	0.018	0.000	0.000	0.000	0.000
200	A	1555	ALA	0	-0.001	-0.006	73.537	0.000	0.000	0.000	0.000	0.000	0.000
201	A	1556	VAL	0	0.021	0.005	72.103	0.000	0.000	0.000	0.000	0.000	0.000
202	A	1557	SER	0	-0.015	-0.018	75.288	0.000	0.000	0.000	0.000	0.000	0.000
203	A	1558	ALA	0	-0.002	0.016	77.593	0.000	0.000	0.000	0.000	0.000	0.000
204	A	1559	LEU	0	-0.025	-0.016	76.981	0.000	0.000	0.000	0.000	0.000	0.000
205	A	1560	GLN	0	-0.031	-0.005	77.317	0.000	0.000	0.000	0.000	0.000	0.000
206	A	1561	GLU	-1	-0.947	-0.970	80.393	-0.016	-0.016	0.000	0.000	0.000	0.000
207	A	1562	SER	0	0.022	-0.010	83.210	0.000	0.000	0.000	0.000	0.000	0.000
208	A	1563	ASP	-1	-0.886	-0.954	85.777	-0.015	-0.015	0.000	0.000	0.000	0.000
209	A	1564	ASN	0	0.012	-0.002	88.677	0.000	0.000	0.000	0.000	0.000	0.000
210	A	1565	LEU	0	0.011	0.026	84.093	0.000	0.000	0.000	0.000	0.000	0.000
211	A	1566	ARG	1	0.855	0.907	83.730	0.017	0.017	0.000	0.000	0.000	0.000
212	A	1567	ASN	0	-0.001	0.013	88.354	0.000	0.000	0.000	0.000	0.000	0.000
213	A	1568	VAL	0	0.021	0.017	90.110	0.000	0.000	0.000	0.000	0.000	0.000
214	A	1569	PHE	0	0.001	-0.018	84.480	0.000	0.000	0.000	0.000	0.000	0.000
215	A	1570	ASN	0	0.012	0.005	90.097	0.000	0.000	0.000	0.000	0.000	0.000
216	A	1571	VAL	0	0.011	0.023	92.868	0.000	0.000	0.000	0.000	0.000	0.000
217	A	1572	ILE	0	0.001	-0.017	90.109	0.000	0.000	0.000	0.000	0.000	0.000
218	A	1573	LEU	0	-0.025	-0.003	91.718	0.000	0.000	0.000	0.000	0.000	0.000
219	A	1574	ALA	0	-0.110	-0.042	93.383	0.000	0.000	0.000	0.000	0.000	0.000
220	A	1575	VAL	0	0.012	-0.007	96.673	0.000	0.000	0.000	0.000	0.000	0.000
221	A	1576	GLY	0	-0.003	0.000	94.818	0.000	0.000	0.000	0.000	0.000	0.000
222	A	1577	ASN	0	0.018	-0.010	95.201	0.000	0.000	0.000	0.000	0.000	0.000
223	A	1578	PHE	0	-0.026	-0.002	97.285	0.000	0.000	0.000	0.000	0.000	0.000
224	A	1579	MET	0	-0.064	-0.023	98.011	0.000	0.000	0.000	0.000	0.000	0.000
225	A	1580	ASN	0	-0.152	-0.063	95.290	0.000	0.000	0.000	0.000	0.000	0.000
226	A	1581	ASP	-1	-0.830	-0.924	98.273	-0.016	-0.016	0.000	0.000	0.000	0.000
227	A	1582	THR	0	-0.011	-0.017	99.668	0.000	0.000	0.000	0.000	0.000	0.000
228	A	1583	SER	0	-0.029	-0.014	97.263	0.000	0.000	0.000	0.000	0.000	0.000
229	A	1584	LYS	1	0.932	1.000	93.634	0.018	0.018	0.000	0.000	0.000	0.000
230	A	1585	GLN	0	-0.004	-0.018	95.427	0.000	0.000	0.000	0.000	0.000	0.000
231	A	1586	ALA	0	0.007	0.008	91.118	0.000	0.000	0.000	0.000	0.000	0.000
232	A	1587	GLN	0	0.006	-0.005	89.931	0.000	0.000	0.000	0.000	0.000	0.000
233	A	1588	GLY	0	0.029	0.013	88.383	0.000	0.000	0.000	0.000	0.000	0.000
234	A	1589	PHE	0	-0.081	-0.028	86.129	0.000	0.000	0.000	0.000	0.000	0.000
235	A	1590	LYS	1	1.020	1.016	78.163	0.024	0.024	0.000	0.000	0.000	0.000
236	A	1591	LEU	0	0.109	0.034	78.873	0.000	0.000	0.000	0.000	0.000	0.000
237	A	1592	SER	0	-0.073	-0.032	80.951	0.000	0.000	0.000	0.000	0.000	0.000
238	A	1593	THR	0	-0.015	-0.049	81.903	0.000	0.000	0.000	0.000	0.000	0.000
239	A	1594	LEU	0	0.026	0.040	83.712	0.000	0.000	0.000	0.000	0.000	0.000
240	A	1595	GLN	0	0.041	0.023	80.958	0.000	0.000	0.000	0.000	0.000	0.000
241	A	1596	ARG	1	0.889	0.968	83.030	0.022	0.022	0.000	0.000	0.000	0.000
242	A	1597	LEU	0	0.038	0.024	87.236	0.000	0.000	0.000	0.000	0.000	0.000
243	A	1598	THR	0	-0.034	-0.017	88.048	0.000	0.000	0.000	0.000	0.000	0.000
244	A	1599	PHE	0	-0.068	-0.035	85.030	0.000	0.000	0.000	0.000	0.000	0.000
245	A	1600	ILE	0	0.010	0.023	90.800	0.000	0.000	0.000	0.000	0.000	0.000
246	A	1601	LYS	1	1.001	0.994	93.080	0.018	0.018	0.000	0.000	0.000	0.000
247	A	1602	ASP	-1	-0.680	-0.790	96.840	-0.015	-0.015	0.000	0.000	0.000	0.000
248	A	1603	THR	0	-0.032	-0.024	100.595	0.000	0.000	0.000	0.000	0.000	0.000
249	A	1604	THR	0	-0.095	-0.076	102.774	0.000	0.000	0.000	0.000	0.000	0.000
250	A	1605	ASN	0	-0.117	-0.057	98.378	-0.001	-0.001	0.000	0.000	0.000	0.000
251	A	1606	SER	0	-0.028	-0.015	98.759	0.000	0.000	0.000	0.000	0.000	0.000
252	A	1607	MET	0	-0.026	-0.006	97.369	0.000	0.000	0.000	0.000	0.000	0.000
253	A	1608	THR	0	-0.010	-0.011	92.355	0.000	0.000	0.000	0.000	0.000	0.000
254	A	1609	PHE	0	-0.020	-0.037	94.009	0.000	0.000	0.000	0.000	0.000	0.000
255	A	1610	LEU	0	0.004	0.011	89.467	0.000	0.000	0.000	0.000	0.000	0.000
256	A	1611	ASN	0	0.064	0.014	93.502	0.000	0.000	0.000	0.000	0.000	0.000
257	A	1612	TYR	0	-0.018	0.001	95.979	0.000	0.000	0.000	0.000	0.000	0.000
258	A	1613	VAL	0	0.030	0.031	93.264	0.000	0.000	0.000	0.000	0.000	0.000
259	A	1614	GLU	-1	-0.656	-0.831	93.784	-0.014	-0.014	0.000	0.000	0.000	0.000
260	A	1615	LYS	1	0.940	0.982	95.513	0.013	0.013	0.000	0.000	0.000	0.000
261	A	1616	ILE	0	-0.115	-0.064	98.956	0.000	0.000	0.000	0.000	0.000	0.000
262	A	1617	VAL	0	0.014	0.021	94.919	0.000	0.000	0.000	0.000	0.000	0.000
263	A	1618	ARG	1	0.825	0.909	97.450	0.013	0.013	0.000	0.000	0.000	0.000
264	A	1619	LEU	0	-0.086	-0.046	98.934	0.000	0.000	0.000	0.000	0.000	0.000
265	A	1620	ASN	0	0.015	0.002	101.580	0.000	0.000	0.000	0.000	0.000	0.000
266	A	1621	TYR	0	-0.014	-0.007	98.119	0.000	0.000	0.000	0.000	0.000	0.000
267	A	1622	PRO	0	-0.023	-0.005	97.672	0.000	0.000	0.000	0.000	0.000	0.000
268	A	1623	SER	0	-0.017	-0.008	96.843	0.000	0.000	0.000	0.000	0.000	0.000
269	A	1624	PHE	0	0.067	0.045	93.310	0.000	0.000	0.000	0.000	0.000	0.000
270	A	1625	ASN	0	-0.050	-0.029	91.941	0.000	0.000	0.000	0.000	0.000	0.000
271	A	1626	ASP	-1	-0.815	-0.903	90.918	-0.013	-0.013	0.000	0.000	0.000	0.000
272	A	1627	PHE	0	0.031	0.000	86.476	0.000	0.000	0.000	0.000	0.000	0.000
273	A	1628	LEU	0	-0.108	-0.038	86.338	0.000	0.000	0.000	0.000	0.000	0.000
274	A	1629	SER	0	-0.105	-0.064	85.756	0.000	0.000	0.000	0.000	0.000	0.000
275	A	1630	GLU	-1	-0.796	-0.884	84.863	-0.015	-0.015	0.000	0.000	0.000	0.000
276	A	1631	LEU	0	-0.039	-0.019	81.653	0.000	0.000	0.000	0.000	0.000	0.000
277	A	1632	GLU	-1	-0.919	-0.965	79.915	-0.018	-0.018	0.000	0.000	0.000	0.000
278	A	1633	PRO	0	0.076	0.021	76.326	-0.001	-0.001	0.000	0.000	0.000	0.000
279	A	1634	VAL	0	-0.030	-0.006	76.124	-0.001	-0.001	0.000	0.000	0.000	0.000
280	A	1635	LEU	0	-0.041	-0.026	76.828	-0.001	-0.001	0.000	0.000	0.000	0.000
281	A	1636	ASP	-1	-0.892	-0.929	74.711	-0.020	-0.020	0.000	0.000	0.000	0.000
282	A	1637	VAL	0	-0.070	-0.051	70.243	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	1638	VAL	0	0.023	0.034	71.692	-0.001	-0.001	0.000	0.000	0.000	0.000
284	A	1639	LYS	1	0.845	0.921	69.717	0.022	0.022	0.000	0.000	0.000	0.000
285	A	1640	VAL	0	-0.021	-0.006	65.910	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	1641	SER	0	-0.020	0.012	63.254	0.000	0.000	0.000	0.000	0.000	0.000
287	A	1642	ILE	0	0.063	0.027	64.270	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	1643	GLU	-1	-0.911	-0.976	60.692	-0.036	-0.036	0.000	0.000	0.000	0.000
289	A	1644	GLN	0	-0.036	-0.017	57.315	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	1645	LEU	0	-0.001	0.015	59.267	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	1646	VAL	0	0.034	0.017	58.660	0.000	0.000	0.000	0.000	0.000	0.000
292	A	1647	ASN	0	-0.047	-0.039	55.592	0.000	0.000	0.000	0.000	0.000	0.000
293	A	1648	ASP	-1	-0.822	-0.908	55.223	-0.037	-0.037	0.000	0.000	0.000	0.000
294	A	1649	CYS	0	-0.016	0.010	55.148	0.000	0.000	0.000	0.000	0.000	0.000
295	A	1650	LYS	1	0.921	0.967	52.644	0.043	0.043	0.000	0.000	0.000	0.000
296	A	1651	ASP	-1	-0.908	-0.976	50.955	-0.049	-0.049	0.000	0.000	0.000	0.000
297	A	1652	PHE	0	-0.027	0.020	50.574	-0.001	-0.001	0.000	0.000	0.000	0.000
298	A	1653	SER	0	0.041	0.003	50.914	0.000	0.000	0.000	0.000	0.000	0.000
299	A	1654	GLN	0	-0.035	-0.006	45.514	-0.003	-0.003	0.000	0.000	0.000	0.000
300	A	1655	SER	0	-0.046	-0.033	46.490	-0.002	-0.002	0.000	0.000	0.000	0.000
301	A	1656	ILE	0	0.016	-0.007	45.737	-0.001	-0.001	0.000	0.000	0.000	0.000
302	A	1657	VAL	0	0.013	0.024	43.829	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	1658	ASN	0	-0.059	-0.027	42.050	-0.004	-0.004	0.000	0.000	0.000	0.000
304	A	1659	VAL	0	0.033	0.026	41.019	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	1660	GLU	-1	-0.874	-0.920	40.510	-0.040	-0.040	0.000	0.000	0.000	0.000
306	A	1661	ARG	1	1.019	1.026	34.550	0.084	0.084	0.000	0.000	0.000	0.000
307	A	1662	SER	0	-0.153	-0.110	36.357	-0.004	-0.004	0.000	0.000	0.000	0.000
308	A	1663	VAL	0	-0.011	-0.026	35.740	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	1664	GLU	-1	-0.957	-0.979	36.074	-0.047	-0.047	0.000	0.000	0.000	0.000
310	A	1665	ILE	0	-0.026	-0.025	33.186	-0.001	-0.001	0.000	0.000	0.000	0.000
311	A	1666	GLY	0	-0.016	0.008	32.577	-0.008	-0.008	0.000	0.000	0.000	0.000
312	A	1667	ASN	0	-0.047	-0.003	30.785	-0.006	-0.006	0.000	0.000	0.000	0.000
313	A	1668	LEU	0	-0.035	-0.028	32.053	0.001	0.001	0.000	0.000	0.000	0.000
314	A	1669	SER	0	-0.033	-0.033	31.461	0.004	0.004	0.000	0.000	0.000	0.000
315	A	1670	ASP	-1	-0.859	-0.929	26.078	-0.065	-0.065	0.000	0.000	0.000	0.000
316	A	1671	SER	0	-0.021	-0.015	29.728	0.000	0.000	0.000	0.000	0.000	0.000
317	A	1672	SER	0	-0.079	-0.049	25.468	0.000	0.000	0.000	0.000	0.000	0.000
318	A	1673	LYS	1	1.015	1.001	25.741	0.109	0.109	0.000	0.000	0.000	0.000
319	A	1674	PHE	0	-0.053	-0.013	27.506	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	1675	HIS	0	0.082	0.058	29.783	0.005	0.005	0.000	0.000	0.000	0.000
321	A	1676	PRO	0	-0.001	-0.006	29.609	0.003	0.003	0.000	0.000	0.000	0.000
322	A	1677	LEU	0	-0.074	-0.051	32.110	0.004	0.004	0.000	0.000	0.000	0.000
323	A	1678	ASP	-1	-0.769	-0.834	34.756	-0.039	-0.039	0.000	0.000	0.000	0.000
324	A	1679	LYS	1	0.864	0.934	36.409	0.012	0.012	0.000	0.000	0.000	0.000
325	A	1680	VAL	0	0.074	0.031	37.270	0.001	0.001	0.000	0.000	0.000	0.000
326	A	1681	LEU	0	0.090	0.059	34.926	0.003	0.003	0.000	0.000	0.000	0.000
327	A	1682	ILE	0	-0.036	-0.001	39.229	0.001	0.001	0.000	0.000	0.000	0.000
328	A	1683	LYS	1	0.890	0.929	41.445	0.018	0.018	0.000	0.000	0.000	0.000
329	A	1684	THR	0	0.032	0.002	41.715	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	1685	LEU	0	-0.015	-0.002	38.777	0.000	0.000	0.000	0.000	0.000	0.000
331	A	1686	PRO	0	-0.039	-0.029	43.009	0.000	0.000	0.000	0.000	0.000	0.000
332	A	1687	VAL	0	-0.001	0.015	46.423	0.001	0.001	0.000	0.000	0.000	0.000
333	A	1688	LEU	0	0.072	0.030	42.669	0.000	0.000	0.000	0.000	0.000	0.000
334	A	1689	PRO	0	-0.010	-0.004	46.561	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	1690	GLU	-1	-0.877	-0.944	49.379	-0.019	-0.019	0.000	0.000	0.000	0.000
336	A	1691	ALA	0	-0.029	-0.026	49.318	0.000	0.000	0.000	0.000	0.000	0.000
337	A	1692	ARG	1	0.964	1.003	48.253	0.032	0.032	0.000	0.000	0.000	0.000
338	A	1693	LYS	1	0.904	0.977	50.834	0.019	0.019	0.000	0.000	0.000	0.000
339	A	1694	LYS	1	0.911	0.950	54.099	0.021	0.021	0.000	0.000	0.000	0.000
340	A	1695	GLY	0	-0.002	-0.004	52.966	0.000	0.000	0.000	0.000	0.000	0.000
341	A	1696	ASP	-1	-0.853	-0.931	53.635	-0.031	-0.031	0.000	0.000	0.000	0.000
342	A	1697	LEU	0	-0.030	-0.022	55.826	0.001	0.001	0.000	0.000	0.000	0.000
343	A	1698	LEU	0	-0.043	-0.025	56.665	0.001	0.001	0.000	0.000	0.000	0.000
344	A	1699	GLU	-1	-0.908	-0.970	54.160	-0.035	-0.035	0.000	0.000	0.000	0.000
345	A	1700	ASP	-1	-0.915	-0.971	58.017	-0.027	-0.027	0.000	0.000	0.000	0.000
346	A	1701	GLU	-1	-0.954	-0.987	61.243	-0.022	-0.022	0.000	0.000	0.000	0.000
347	A	1702	VAL	0	0.002	0.009	59.604	0.000	0.000	0.000	0.000	0.000	0.000
348	A	1703	LYS	1	0.848	0.936	56.019	0.034	0.034	0.000	0.000	0.000	0.000
349	A	1704	LEU	0	-0.014	0.024	62.735	0.000	0.000	0.000	0.000	0.000	0.000
350	A	1705	THR	0	0.043	-0.026	65.784	0.000	0.000	0.000	0.000	0.000	0.000
351	A	1706	ILE	0	-0.093	-0.055	62.246	0.000	0.000	0.000	0.000	0.000	0.000
352	A	1707	MET	0	0.016	0.028	66.566	0.000	0.000	0.000	0.000	0.000	0.000
353	A	1708	GLU	-1	-0.931	-0.965	68.354	-0.021	-0.021	0.000	0.000	0.000	0.000
354	A	1709	PHE	0	-0.028	-0.025	69.228	0.000	0.000	0.000	0.000	0.000	0.000
355	A	1710	GLU	-1	-0.923	-0.987	66.372	-0.030	-0.030	0.000	0.000	0.000	0.000
356	A	1711	SER	0	-0.049	-0.010	70.784	0.000	0.000	0.000	0.000	0.000	0.000
357	A	1712	LEU	0	-0.011	-0.006	73.771	0.000	0.000	0.000	0.000	0.000	0.000
358	A	1713	MET	0	-0.084	-0.020	71.378	0.000	0.000	0.000	0.000	0.000	0.000
359	A	1714	HIS	0	0.055	0.031	74.744	0.000	0.000	0.000	0.000	0.000	0.000
360	A	1715	THR	0	-0.033	0.001	76.335	0.001	0.001	0.000	0.000	0.000	0.000
361	A	1716	TYR	0	-0.078	-0.044	78.837	0.001	0.001	0.000	0.000	0.000	0.000
362	A	1717	GLY	0	-0.050	-0.032	79.512	0.000	0.000	0.000	0.000	0.000	0.000
363	A	1718	GLU	-1	-0.990	-0.999	75.425	-0.026	-0.026	0.000	0.000	0.000	0.000
364	A	1719	ASP	-1	-0.773	-0.881	71.059	-0.029	-0.029	0.000	0.000	0.000	0.000
365	A	1720	SER	0	-0.006	-0.032	69.275	0.001	0.001	0.000	0.000	0.000	0.000
366	A	1721	GLY	0	-0.061	-0.022	67.098	-0.001	-0.001	0.000	0.000	0.000	0.000
367	A	1722	ASP	-1	-0.881	-0.940	66.242	-0.033	-0.033	0.000	0.000	0.000	0.000
368	A	1723	LYS	1	0.974	0.985	62.177	0.037	0.037	0.000	0.000	0.000	0.000
369	A	1724	PHE	0	-0.015	-0.023	66.383	0.001	0.001	0.000	0.000	0.000	0.000
370	A	1725	ALA	0	-0.006	-0.007	69.216	0.001	0.001	0.000	0.000	0.000	0.000
371	A	1726	LYS	1	0.985	0.981	64.168	0.033	0.033	0.000	0.000	0.000	0.000
372	A	1727	ILE	0	-0.040	-0.008	65.343	0.000	0.000	0.000	0.000	0.000	0.000
373	A	1728	SER	0	0.004	-0.006	69.193	0.001	0.001	0.000	0.000	0.000	0.000
374	A	1729	PHE	0	-0.044	-0.025	72.603	0.001	0.001	0.000	0.000	0.000	0.000
375	A	1730	PHE	0	0.128	0.050	71.819	0.001	0.001	0.000	0.000	0.000	0.000
376	A	1731	LYS	1	0.968	0.973	74.149	0.025	0.025	0.000	0.000	0.000	0.000
377	A	1732	LYS	1	0.809	0.936	74.387	0.026	0.026	0.000	0.000	0.000	0.000
378	A	1733	PHE	0	0.013	0.023	78.132	0.001	0.001	0.000	0.000	0.000	0.000
379	A	1734	ALA	0	0.076	0.024	77.583	0.001	0.001	0.000	0.000	0.000	0.000
380	A	1735	ASP	-1	-0.930	-0.983	78.896	-0.022	-0.022	0.000	0.000	0.000	0.000
381	A	1736	PHE	0	0.023	0.016	80.963	0.001	0.001	0.000	0.000	0.000	0.000
382	A	1737	ILE	0	0.033	0.021	81.743	0.001	0.001	0.000	0.000	0.000	0.000
383	A	1738	ASN	0	-0.050	-0.047	80.617	0.001	0.001	0.000	0.000	0.000	0.000
384	A	1739	GLU	-1	-0.959	-0.986	84.544	-0.019	-0.019	0.000	0.000	0.000	0.000
385	A	1740	TYR	0	-0.036	-0.012	86.711	0.000	0.000	0.000	0.000	0.000	0.000
386	A	1741	LYS	1	1.016	1.002	84.215	0.017	0.017	0.000	0.000	0.000	0.000
387	A	1742	LYS	1	0.940	0.984	87.558	0.018	0.018	0.000	0.000	0.000	0.000
388	A	1743	ALA	0	0.025	-0.002	89.893	0.000	0.000	0.000	0.000	0.000	0.000
389	A	1744	GLN	0	-0.060	-0.056	92.233	0.000	0.000	0.000	0.000	0.000	0.000
390	A	1745	ALA	0	-0.023	0.000	92.763	0.000	0.000	0.000	0.000	0.000	0.000
391	A	1746	GLN	0	-0.025	-0.016	93.510	0.000	0.000	0.000	0.000	0.000	0.000
392	A	1747	ASN	0	-0.081	-0.031	95.519	0.000	0.000	0.000	0.000	0.000	0.000
393	A	1748	LEU	0	-0.012	-0.007	96.327	0.000	0.000	0.000	0.000	0.000	0.000
394	A	1749	ALA	0	-0.017	0.018	99.022	0.000	0.000	0.000	0.000	0.000	0.000
395	A	1750	ALA	0	0.061	0.006	100.766	0.000	0.000	0.000	0.000	0.000	0.000
396	A	1751	GLU	-1	-0.943	-0.983	101.062	-0.012	-0.012	0.000	0.000	0.000	0.000
397	A	1752	GLU	-1	-1.015	-1.023	103.727	-0.011	-0.011	0.000	0.000	0.000	0.000
398	A	1753	GLU	-1	-0.855	-0.927	102.210	-0.013	-0.013	0.000	0.000	0.000	0.000
399	A	1754	GLU	-1	-0.969	-0.976	106.416	-0.011	-0.011	0.000	0.000	0.000	0.000
400	A	1755	ARG	1	0.932	0.977	105.397	0.011	0.011	0.000	0.000	0.000	0.000
401	A	1756	LEU	0	-0.074	-0.049	107.176	0.000	0.000	0.000	0.000	0.000	0.000
402	A	1757	TYR	0	0.077	0.041	110.776	0.000	0.000	0.000	0.000	0.000	0.000
403	A	1758	ILE	0	0.001	0.000	112.416	0.000	0.000	0.000	0.000	0.000	0.000
404	A	1759	LYS	1	0.929	0.974	112.987	0.010	0.010	0.000	0.000	0.000	0.000
405	A	1760	HIS	0	-0.033	-0.035	114.615	0.000	0.000	0.000	0.000	0.000	0.000
406	A	1761	LYS	1	0.963	1.007	116.433	0.010	0.010	0.000	0.000	0.000	0.000
407	A	1762	LYS	1	0.951	0.973	118.249	0.009	0.009	0.000	0.000	0.000	0.000
408	A	1763	ILE	0	-0.024	0.002	118.483	0.000	0.000	0.000	0.000	0.000	0.000
409	A	1764	VAL	0	-0.028	-0.022	119.416	0.000	0.000	0.000	0.000	0.000	0.000
410	A	1765	GLU	-1	-0.964	-0.968	121.796	-0.009	-0.009	0.000	0.000	0.000	0.000

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