FMO DATABASE

FMODB ID: LJ419

Calculation Name: 2YIN-A-Xray372

Preferred Name: Dedicator of cytokinesis protein 2

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 2YIN

Chain ID: A

ChEMBL ID: CHEMBL4105810

UniProt ID: Q92608

Base Structure: X-ray

Registration Date: 2023-06-20

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

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	411
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7314724.518284
FMO2-HF: Nuclear repulsion	7141365.310174
FMO2-HF: Total energy	-173359.208111
FMO2-MP2: Total energy	-173858.285734

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:1196:SER)

Summations of interaction energy for fragment #1(A:1196:SER)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-2.062	0.2	6.981	-4.481	-4.761	-0.005

Interaction energy analysis for fragmet #1(A:1196:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.026 / q_NPA : -0.004

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	1198	ASP	-1	-0.729	-0.865	3.520	-0.609	1.408	0.046	-0.834	-1.229	0.003
4	A	1199	ASN	0	0.014	0.004	1.982	-2.170	-2.624	6.908	-3.667	-2.787	-0.009
5	A	1200	ARG	1	0.879	0.942	3.317	-0.646	-0.241	0.026	0.070	-0.500	0.001
6	A	1201	MET	0	0.024	0.024	5.538	0.198	0.198	0.000	0.000	0.000	0.000
7	A	1202	SER	0	0.040	0.024	6.873	-0.162	-0.162	0.000	0.000	0.000	0.000
8	A	1203	CYS	0	-0.022	-0.006	7.317	-0.123	-0.123	0.000	0.000	0.000	0.000
9	A	1204	THR	0	-0.024	-0.024	9.008	-0.036	-0.036	0.000	0.000	0.000	0.000
10	A	1205	VAL	0	0.046	0.023	11.183	-0.022	-0.022	0.000	0.000	0.000	0.000
11	A	1206	ASN	0	-0.017	-0.004	11.282	0.018	0.018	0.000	0.000	0.000	0.000
12	A	1207	LEU	0	-0.015	-0.011	12.546	-0.019	-0.019	0.000	0.000	0.000	0.000
13	A	1208	LEU	0	-0.023	0.004	15.038	-0.005	-0.005	0.000	0.000	0.000	0.000
14	A	1209	ASN	0	0.011	-0.007	16.098	-0.007	-0.007	0.000	0.000	0.000	0.000
15	A	1210	PHE	0	0.027	0.023	17.912	-0.011	-0.011	0.000	0.000	0.000	0.000
16	A	1211	TYR	0	-0.036	-0.038	17.157	-0.011	-0.011	0.000	0.000	0.000	0.000
17	A	1212	LYS	1	0.854	0.920	20.711	-0.094	-0.094	0.000	0.000	0.000	0.000
18	A	1213	ASP	-1	-0.875	-0.913	22.142	0.058	0.058	0.000	0.000	0.000	0.000
19	A	1214	ASN	0	-0.047	-0.026	23.942	0.001	0.001	0.000	0.000	0.000	0.000
20	A	1215	ASN	0	-0.009	0.005	25.833	-0.001	-0.001	0.000	0.000	0.000	0.000
21	A	1216	ARG	1	0.908	0.973	23.532	0.045	0.045	0.000	0.000	0.000	0.000
22	A	1217	GLU	-1	-0.850	-0.958	23.829	0.035	0.035	0.000	0.000	0.000	0.000
23	A	1218	GLU	-1	-0.898	-0.942	24.362	-0.021	-0.021	0.000	0.000	0.000	0.000
24	A	1219	MET	0	-0.049	-0.036	20.327	-0.003	-0.003	0.000	0.000	0.000	0.000
25	A	1220	TYR	0	0.018	0.006	19.766	0.005	0.005	0.000	0.000	0.000	0.000
26	A	1221	ILE	0	0.077	0.035	19.997	0.020	0.020	0.000	0.000	0.000	0.000
27	A	1222	ARG	1	0.942	0.983	17.358	0.109	0.109	0.000	0.000	0.000	0.000
28	A	1223	TYR	0	-0.026	-0.045	13.235	-0.016	-0.016	0.000	0.000	0.000	0.000
29	A	1224	LEU	0	-0.011	0.035	15.981	0.033	0.033	0.000	0.000	0.000	0.000
30	A	1225	TYR	0	0.002	-0.018	17.193	0.042	0.042	0.000	0.000	0.000	0.000
31	A	1226	LYS	1	0.906	0.961	12.547	0.101	0.101	0.000	0.000	0.000	0.000
32	A	1227	LEU	0	-0.002	-0.002	11.470	0.038	0.038	0.000	0.000	0.000	0.000
33	A	1228	ARG	1	0.851	0.910	13.273	-0.098	-0.098	0.000	0.000	0.000	0.000
34	A	1229	ASP	-1	-0.802	-0.890	14.121	0.222	0.222	0.000	0.000	0.000	0.000
35	A	1230	LEU	0	-0.042	-0.007	8.257	0.042	0.042	0.000	0.000	0.000	0.000
36	A	1231	HIS	0	-0.003	-0.019	11.099	0.286	0.286	0.000	0.000	0.000	0.000
37	A	1232	LEU	0	-0.020	-0.005	13.055	0.049	0.049	0.000	0.000	0.000	0.000
38	A	1233	ASP	-1	-0.898	-0.930	10.282	0.523	0.523	0.000	0.000	0.000	0.000
39	A	1234	CYS	0	-0.115	-0.057	9.502	0.270	0.270	0.000	0.000	0.000	0.000
40	A	1235	ASP	-1	-0.805	-0.877	12.002	0.500	0.500	0.000	0.000	0.000	0.000
41	A	1236	ASN	0	-0.136	-0.065	11.156	-0.012	-0.012	0.000	0.000	0.000	0.000
42	A	1237	TYR	0	0.042	-0.026	15.630	-0.062	-0.062	0.000	0.000	0.000	0.000
43	A	1238	THR	0	-0.003	-0.003	18.906	-0.043	-0.043	0.000	0.000	0.000	0.000
44	A	1239	GLU	-1	-0.809	-0.907	14.502	0.616	0.616	0.000	0.000	0.000	0.000
45	A	1240	ALA	0	0.004	-0.005	16.865	-0.033	-0.033	0.000	0.000	0.000	0.000
46	A	1241	ALA	0	-0.010	-0.003	17.851	-0.042	-0.042	0.000	0.000	0.000	0.000
47	A	1242	TYR	0	-0.017	-0.054	19.674	-0.019	-0.019	0.000	0.000	0.000	0.000
48	A	1243	THR	0	-0.065	-0.027	15.997	-0.024	-0.024	0.000	0.000	0.000	0.000
49	A	1244	LEU	0	0.040	0.015	19.384	-0.031	-0.031	0.000	0.000	0.000	0.000
50	A	1245	LEU	0	0.004	0.013	22.211	-0.022	-0.022	0.000	0.000	0.000	0.000
51	A	1246	LEU	0	-0.046	-0.020	19.305	-0.011	-0.011	0.000	0.000	0.000	0.000
52	A	1247	HIS	0	0.037	0.016	23.435	-0.010	-0.010	0.000	0.000	0.000	0.000
53	A	1248	THR	0	0.038	0.023	25.166	-0.011	-0.011	0.000	0.000	0.000	0.000
54	A	1249	TRP	0	-0.012	0.003	26.967	-0.005	-0.005	0.000	0.000	0.000	0.000
55	A	1250	LEU	0	-0.058	-0.035	25.874	-0.007	-0.007	0.000	0.000	0.000	0.000
56	A	1251	LEU	0	-0.057	-0.001	29.636	-0.008	-0.008	0.000	0.000	0.000	0.000
57	A	1252	LYS	1	0.841	0.898	32.118	-0.040	-0.040	0.000	0.000	0.000	0.000
58	A	1253	TRP	0	0.050	0.014	34.239	-0.003	-0.003	0.000	0.000	0.000	0.000
59	A	1254	SER	0	-0.054	-0.069	38.179	-0.001	-0.001	0.000	0.000	0.000	0.000
60	A	1255	ASP	-1	-0.900	-0.953	39.333	0.037	0.037	0.000	0.000	0.000	0.000
61	A	1256	GLU	-1	-0.779	-0.822	38.318	0.039	0.039	0.000	0.000	0.000	0.000
62	A	1271	GLN	0	-0.019	-0.015	31.782	0.002	0.002	0.000	0.000	0.000	0.000
63	A	1272	THR	0	-0.040	-0.029	35.461	0.000	0.000	0.000	0.000	0.000	0.000
64	A	1273	HIS	0	0.049	0.015	34.318	0.008	0.008	0.000	0.000	0.000	0.000
65	A	1274	ARG	1	0.935	0.965	34.786	-0.053	-0.053	0.000	0.000	0.000	0.000
66	A	1275	GLN	0	0.102	0.067	35.992	0.005	0.005	0.000	0.000	0.000	0.000
67	A	1276	LEU	0	-0.018	0.006	29.215	0.005	0.005	0.000	0.000	0.000	0.000
68	A	1277	LYS	1	0.854	0.917	31.204	-0.084	-0.084	0.000	0.000	0.000	0.000
69	A	1278	GLU	-1	-0.841	-0.896	31.689	0.084	0.084	0.000	0.000	0.000	0.000
70	A	1279	THR	0	0.030	0.004	30.737	0.008	0.008	0.000	0.000	0.000	0.000
71	A	1280	LEU	0	-0.045	-0.026	26.337	0.013	0.013	0.000	0.000	0.000	0.000
72	A	1281	TYR	0	-0.068	-0.079	27.703	0.018	0.018	0.000	0.000	0.000	0.000
73	A	1282	GLU	-1	-0.901	-0.937	29.605	0.114	0.114	0.000	0.000	0.000	0.000
74	A	1283	THR	0	-0.071	-0.032	24.417	0.011	0.011	0.000	0.000	0.000	0.000
75	A	1284	ILE	0	-0.044	-0.025	24.364	0.022	0.022	0.000	0.000	0.000	0.000
76	A	1285	ILE	0	-0.005	-0.002	25.737	0.020	0.020	0.000	0.000	0.000	0.000
77	A	1286	GLY	0	0.020	0.018	27.239	0.006	0.006	0.000	0.000	0.000	0.000
78	A	1287	TYR	0	-0.070	-0.050	20.642	0.020	0.020	0.000	0.000	0.000	0.000
79	A	1288	PHE	0	0.039	0.001	23.005	0.028	0.028	0.000	0.000	0.000	0.000
80	A	1289	ASP	-1	-0.778	-0.866	25.236	0.195	0.195	0.000	0.000	0.000	0.000
81	A	1290	LYS	1	0.915	0.969	22.041	-0.278	-0.278	0.000	0.000	0.000	0.000
82	A	1291	GLY	0	-0.078	-0.046	22.111	0.021	0.021	0.000	0.000	0.000	0.000
83	A	1292	LYS	1	0.839	0.899	22.979	-0.310	-0.310	0.000	0.000	0.000	0.000
84	A	1293	MET	0	-0.052	-0.001	23.210	-0.002	-0.002	0.000	0.000	0.000	0.000
85	A	1294	TRP	0	0.056	-0.001	26.674	-0.010	-0.010	0.000	0.000	0.000	0.000
86	A	1295	GLU	-1	-0.770	-0.851	29.793	0.192	0.192	0.000	0.000	0.000	0.000
87	A	1296	GLU	-1	-0.768	-0.832	26.095	0.203	0.203	0.000	0.000	0.000	0.000
88	A	1297	ALA	0	0.004	0.005	28.988	-0.010	-0.010	0.000	0.000	0.000	0.000
89	A	1298	ILE	0	0.015	0.003	30.214	-0.012	-0.012	0.000	0.000	0.000	0.000
90	A	1299	SER	0	-0.080	-0.036	31.197	-0.011	-0.011	0.000	0.000	0.000	0.000
91	A	1300	LEU	0	0.048	0.024	27.874	-0.007	-0.007	0.000	0.000	0.000	0.000
92	A	1301	CYS	0	-0.064	-0.028	32.546	-0.009	-0.009	0.000	0.000	0.000	0.000
93	A	1302	LYS	1	0.880	0.936	35.324	-0.118	-0.118	0.000	0.000	0.000	0.000
94	A	1303	GLU	-1	-0.819	-0.876	33.144	0.111	0.111	0.000	0.000	0.000	0.000
95	A	1304	LEU	0	-0.026	-0.010	33.759	-0.005	-0.005	0.000	0.000	0.000	0.000
96	A	1305	ALA	0	-0.005	-0.012	37.542	-0.006	-0.006	0.000	0.000	0.000	0.000
97	A	1306	GLU	-1	-0.925	-0.952	40.321	0.073	0.073	0.000	0.000	0.000	0.000
98	A	1307	GLN	0	0.029	0.003	38.909	-0.008	-0.008	0.000	0.000	0.000	0.000
99	A	1308	TYR	0	-0.093	-0.069	37.936	-0.001	-0.001	0.000	0.000	0.000	0.000
100	A	1309	GLU	-1	-0.942	-0.981	43.337	0.063	0.063	0.000	0.000	0.000	0.000
101	A	1310	MET	0	-0.069	-0.046	45.506	-0.004	-0.004	0.000	0.000	0.000	0.000
102	A	1311	GLU	-1	-0.904	-0.920	43.261	0.056	0.056	0.000	0.000	0.000	0.000
103	A	1312	ILE	0	-0.089	-0.050	42.002	-0.002	-0.002	0.000	0.000	0.000	0.000
104	A	1313	PHE	0	-0.062	-0.022	46.115	-0.002	-0.002	0.000	0.000	0.000	0.000
105	A	1314	ASP	-1	-0.811	-0.901	43.702	0.058	0.058	0.000	0.000	0.000	0.000
106	A	1315	TYR	0	0.020	-0.018	44.763	0.003	0.003	0.000	0.000	0.000	0.000
107	A	1316	GLU	-1	-0.908	-0.937	45.730	0.056	0.056	0.000	0.000	0.000	0.000
108	A	1317	LEU	0	0.009	0.001	39.823	0.005	0.005	0.000	0.000	0.000	0.000
109	A	1318	LEU	0	-0.029	0.010	41.137	0.006	0.006	0.000	0.000	0.000	0.000
110	A	1319	SER	0	-0.074	-0.048	42.660	0.005	0.005	0.000	0.000	0.000	0.000
111	A	1320	GLN	0	0.035	0.015	39.634	0.005	0.005	0.000	0.000	0.000	0.000
112	A	1321	ASN	0	-0.021	-0.006	37.503	0.009	0.009	0.000	0.000	0.000	0.000
113	A	1322	LEU	0	0.012	-0.003	38.825	0.007	0.007	0.000	0.000	0.000	0.000
114	A	1323	ILE	0	-0.014	-0.002	39.833	0.004	0.004	0.000	0.000	0.000	0.000
115	A	1324	GLN	0	0.048	0.019	32.931	0.008	0.008	0.000	0.000	0.000	0.000
116	A	1325	GLN	0	0.013	-0.006	36.500	0.010	0.010	0.000	0.000	0.000	0.000
117	A	1326	ALA	0	-0.021	-0.002	37.724	0.004	0.004	0.000	0.000	0.000	0.000
118	A	1327	LYS	1	0.835	0.916	32.181	-0.151	-0.151	0.000	0.000	0.000	0.000
119	A	1328	PHE	0	-0.026	0.003	31.704	0.007	0.007	0.000	0.000	0.000	0.000
120	A	1329	TYR	0	0.045	0.009	34.945	0.004	0.004	0.000	0.000	0.000	0.000
121	A	1330	GLU	-1	-0.772	-0.844	37.481	0.113	0.113	0.000	0.000	0.000	0.000
122	A	1331	SER	0	-0.026	-0.034	33.057	0.003	0.003	0.000	0.000	0.000	0.000
123	A	1332	ILE	0	-0.052	-0.020	32.805	0.006	0.006	0.000	0.000	0.000	0.000
124	A	1333	MET	0	-0.058	-0.034	34.565	0.004	0.004	0.000	0.000	0.000	0.000
125	A	1334	LYS	1	0.813	0.887	36.914	-0.113	-0.113	0.000	0.000	0.000	0.000
126	A	1335	ILE	0	-0.018	0.006	30.896	0.001	0.001	0.000	0.000	0.000	0.000
127	A	1336	LEU	0	-0.019	-0.006	31.800	0.007	0.007	0.000	0.000	0.000	0.000
128	A	1337	ARG	1	0.759	0.847	27.016	-0.209	-0.209	0.000	0.000	0.000	0.000
129	A	1338	PRO	0	-0.010	-0.001	24.479	-0.006	-0.006	0.000	0.000	0.000	0.000
130	A	1339	LYS	1	0.816	0.908	24.326	-0.301	-0.301	0.000	0.000	0.000	0.000
131	A	1340	PRO	0	0.019	0.019	20.606	0.009	0.009	0.000	0.000	0.000	0.000
132	A	1341	ASP	-1	-0.844	-0.920	20.411	0.307	0.307	0.000	0.000	0.000	0.000
133	A	1342	TYR	0	0.022	-0.010	18.910	0.063	0.063	0.000	0.000	0.000	0.000
134	A	1343	PHE	0	-0.022	-0.005	15.173	-0.065	-0.065	0.000	0.000	0.000	0.000
135	A	1344	ALA	0	0.017	0.017	16.843	0.047	0.047	0.000	0.000	0.000	0.000
136	A	1345	VAL	0	-0.007	-0.024	12.155	-0.023	-0.023	0.000	0.000	0.000	0.000
137	A	1346	GLY	0	0.006	-0.001	15.433	-0.001	-0.001	0.000	0.000	0.000	0.000
138	A	1347	TYR	0	-0.026	-0.011	9.881	0.015	0.015	0.000	0.000	0.000	0.000
139	A	1348	TYR	0	0.007	-0.006	14.914	-0.026	-0.026	0.000	0.000	0.000	0.000
140	A	1349	GLY	0	0.089	0.059	17.083	-0.006	-0.006	0.000	0.000	0.000	0.000
141	A	1350	GLN	0	-0.050	-0.040	17.205	0.019	0.019	0.000	0.000	0.000	0.000
142	A	1351	GLY	0	0.010	0.024	15.089	-0.029	-0.029	0.000	0.000	0.000	0.000
143	A	1352	PHE	0	-0.061	-0.032	10.396	-0.060	-0.060	0.000	0.000	0.000	0.000
144	A	1353	PRO	0	0.048	0.036	9.582	-0.007	-0.007	0.000	0.000	0.000	0.000
145	A	1354	SER	0	0.044	-0.003	12.915	0.059	0.059	0.000	0.000	0.000	0.000
146	A	1355	PHE	0	-0.010	-0.017	7.220	-0.007	-0.007	0.000	0.000	0.000	0.000
147	A	1356	LEU	0	0.022	0.012	8.346	0.049	0.049	0.000	0.000	0.000	0.000
148	A	1357	ARG	1	0.879	0.947	12.961	0.015	0.015	0.000	0.000	0.000	0.000
149	A	1358	ASN	0	-0.005	-0.035	16.033	0.013	0.013	0.000	0.000	0.000	0.000
150	A	1359	LYS	1	0.822	0.924	15.828	-0.176	-0.176	0.000	0.000	0.000	0.000
151	A	1360	VAL	0	0.022	0.014	16.352	0.030	0.030	0.000	0.000	0.000	0.000
152	A	1361	PHE	0	-0.015	0.008	13.667	0.011	0.011	0.000	0.000	0.000	0.000
153	A	1362	ILE	0	-0.011	0.009	15.975	0.013	0.013	0.000	0.000	0.000	0.000
154	A	1363	TYR	0	0.017	-0.001	8.744	-0.128	-0.128	0.000	0.000	0.000	0.000
155	A	1364	ARG	1	0.872	0.929	15.183	-0.516	-0.516	0.000	0.000	0.000	0.000
156	A	1365	GLY	0	0.005	0.006	15.271	0.105	0.105	0.000	0.000	0.000	0.000
157	A	1366	LYS	1	0.850	0.898	13.366	-0.951	-0.951	0.000	0.000	0.000	0.000
158	A	1367	GLU	-1	-0.827	-0.899	16.819	0.312	0.312	0.000	0.000	0.000	0.000
159	A	1368	TYR	0	-0.014	-0.022	19.542	0.007	0.007	0.000	0.000	0.000	0.000
160	A	1369	GLU	-1	-0.856	-0.906	13.273	0.988	0.988	0.000	0.000	0.000	0.000
161	A	1370	ARG	1	0.940	0.957	18.119	-0.329	-0.329	0.000	0.000	0.000	0.000
162	A	1371	ARG	1	0.907	0.938	17.196	-0.288	-0.288	0.000	0.000	0.000	0.000
163	A	1372	GLU	-1	-0.847	-0.906	16.619	0.375	0.375	0.000	0.000	0.000	0.000
164	A	1373	ASP	-1	-0.844	-0.929	15.216	0.481	0.481	0.000	0.000	0.000	0.000
165	A	1374	PHE	0	-0.016	0.002	11.071	0.079	0.079	0.000	0.000	0.000	0.000
166	A	1375	GLN	0	0.026	-0.005	11.696	0.125	0.125	0.000	0.000	0.000	0.000
167	A	1376	MET	0	-0.005	0.013	12.307	-0.008	-0.008	0.000	0.000	0.000	0.000
168	A	1377	GLN	0	0.008	0.004	8.413	0.203	0.203	0.000	0.000	0.000	0.000
169	A	1378	LEU	0	-0.016	-0.012	7.872	0.154	0.154	0.000	0.000	0.000	0.000
170	A	1379	MET	0	-0.048	-0.031	8.505	-0.096	-0.096	0.000	0.000	0.000	0.000
171	A	1380	THR	0	-0.018	-0.016	7.569	-0.209	-0.209	0.000	0.000	0.000	0.000
172	A	1381	GLN	0	-0.127	-0.053	3.955	-0.217	0.077	0.001	-0.050	-0.245	0.000
173	A	1382	PHE	0	-0.057	-0.037	5.624	-0.592	-0.592	0.000	0.000	0.000	0.000
174	A	1383	PRO	0	0.036	0.026	8.582	0.109	0.109	0.000	0.000	0.000	0.000
175	A	1384	ASN	0	-0.016	-0.008	11.527	0.022	0.022	0.000	0.000	0.000	0.000
176	A	1385	ALA	0	-0.038	-0.012	12.034	0.024	0.024	0.000	0.000	0.000	0.000
177	A	1386	GLU	-1	-0.934	-0.965	13.740	0.095	0.095	0.000	0.000	0.000	0.000
178	A	1387	LYS	1	0.911	0.949	16.512	-0.150	-0.150	0.000	0.000	0.000	0.000
179	A	1388	MET	0	0.056	0.034	17.578	-0.013	-0.013	0.000	0.000	0.000	0.000
180	A	1389	ASN	0	-0.036	-0.028	20.508	0.022	0.022	0.000	0.000	0.000	0.000
181	A	1390	THR	0	-0.014	-0.003	23.314	-0.004	-0.004	0.000	0.000	0.000	0.000
182	A	1391	THR	0	0.041	0.020	22.954	0.006	0.006	0.000	0.000	0.000	0.000
183	A	1392	SER	0	-0.023	-0.010	24.385	0.005	0.005	0.000	0.000	0.000	0.000
184	A	1393	ALA	0	0.020	0.017	24.718	0.006	0.006	0.000	0.000	0.000	0.000
185	A	1394	PRO	0	0.016	0.018	21.698	-0.013	-0.013	0.000	0.000	0.000	0.000
186	A	1395	GLY	0	0.052	0.030	24.861	-0.002	-0.002	0.000	0.000	0.000	0.000
187	A	1396	ASP	-1	-0.844	-0.946	25.587	0.041	0.041	0.000	0.000	0.000	0.000
188	A	1397	ASP	-1	-0.876	-0.932	26.028	0.030	0.030	0.000	0.000	0.000	0.000
189	A	1398	VAL	0	-0.002	-0.003	21.558	-0.008	-0.008	0.000	0.000	0.000	0.000
190	A	1399	LYS	1	0.833	0.913	21.726	-0.076	-0.076	0.000	0.000	0.000	0.000
191	A	1400	ASN	0	-0.100	-0.054	21.834	-0.013	-0.013	0.000	0.000	0.000	0.000
192	A	1401	ALA	0	0.010	0.032	21.940	-0.018	-0.018	0.000	0.000	0.000	0.000
193	A	1402	PRO	0	0.014	0.001	20.384	0.001	0.001	0.000	0.000	0.000	0.000
194	A	1403	GLY	0	0.015	0.010	17.647	-0.025	-0.025	0.000	0.000	0.000	0.000
195	A	1404	GLN	0	-0.025	-0.009	10.530	0.023	0.023	0.000	0.000	0.000	0.000
196	A	1405	TYR	0	0.030	0.018	15.466	-0.001	-0.001	0.000	0.000	0.000	0.000
197	A	1406	ILE	0	0.015	0.009	11.151	0.018	0.018	0.000	0.000	0.000	0.000
198	A	1407	GLN	0	-0.049	-0.027	15.509	-0.004	-0.004	0.000	0.000	0.000	0.000
199	A	1408	CYS	0	-0.014	0.000	15.369	0.060	0.060	0.000	0.000	0.000	0.000
200	A	1409	PHE	0	-0.014	-0.009	17.424	-0.033	-0.033	0.000	0.000	0.000	0.000
201	A	1410	THR	0	0.011	0.004	19.933	0.035	0.035	0.000	0.000	0.000	0.000
202	A	1411	VAL	0	-0.041	-0.014	20.927	-0.036	-0.036	0.000	0.000	0.000	0.000
203	A	1412	GLN	0	0.010	-0.014	23.446	0.016	0.016	0.000	0.000	0.000	0.000
204	A	1413	PRO	0	-0.011	0.002	24.076	-0.010	-0.010	0.000	0.000	0.000	0.000
205	A	1414	VAL	0	-0.035	-0.011	26.350	-0.017	-0.017	0.000	0.000	0.000	0.000
206	A	1415	LEU	0	-0.019	-0.006	29.404	0.006	0.006	0.000	0.000	0.000	0.000
207	A	1416	ASP	-1	-0.836	-0.915	29.463	0.171	0.171	0.000	0.000	0.000	0.000
208	A	1417	GLU	-1	-0.813	-0.886	31.785	0.104	0.104	0.000	0.000	0.000	0.000
209	A	1418	HIS	0	-0.052	-0.042	31.233	0.005	0.005	0.000	0.000	0.000	0.000
210	A	1419	PRO	0	0.037	0.000	36.381	-0.004	-0.004	0.000	0.000	0.000	0.000
211	A	1420	ARG	1	0.910	0.966	34.087	-0.143	-0.143	0.000	0.000	0.000	0.000
212	A	1421	PHE	0	-0.005	-0.028	35.281	-0.004	-0.004	0.000	0.000	0.000	0.000
213	A	1422	LYS	1	0.813	0.927	40.368	-0.101	-0.101	0.000	0.000	0.000	0.000
214	A	1423	ASN	0	0.015	-0.006	42.382	0.000	0.000	0.000	0.000	0.000	0.000
215	A	1424	LYS	1	0.925	0.972	43.709	-0.084	-0.084	0.000	0.000	0.000	0.000
216	A	1425	PRO	0	0.036	0.036	44.247	0.003	0.003	0.000	0.000	0.000	0.000
217	A	1426	VAL	0	-0.015	-0.021	38.780	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	1427	PRO	0	0.045	0.021	40.224	0.001	0.001	0.000	0.000	0.000	0.000
219	A	1428	ASP	-1	-0.800	-0.921	38.032	0.129	0.129	0.000	0.000	0.000	0.000
220	A	1429	GLN	0	-0.053	-0.029	34.271	0.008	0.008	0.000	0.000	0.000	0.000
221	A	1430	ILE	0	0.008	-0.007	34.727	0.009	0.009	0.000	0.000	0.000	0.000
222	A	1431	ILE	0	-0.002	0.012	34.386	0.010	0.010	0.000	0.000	0.000	0.000
223	A	1432	ASN	0	0.038	-0.003	32.708	0.008	0.008	0.000	0.000	0.000	0.000
224	A	1433	PHE	0	0.000	0.005	26.404	0.014	0.014	0.000	0.000	0.000	0.000
225	A	1434	TYR	0	0.064	0.017	28.720	0.012	0.012	0.000	0.000	0.000	0.000
226	A	1435	LYS	1	0.913	0.979	29.319	-0.156	-0.156	0.000	0.000	0.000	0.000
227	A	1436	SER	0	0.005	0.005	25.722	0.009	0.009	0.000	0.000	0.000	0.000
228	A	1437	ASN	0	-0.031	-0.006	24.159	0.069	0.069	0.000	0.000	0.000	0.000
229	A	1438	TYR	0	0.013	-0.009	24.548	-0.018	-0.018	0.000	0.000	0.000	0.000
230	A	1439	VAL	0	0.003	0.031	23.516	-0.023	-0.023	0.000	0.000	0.000	0.000
231	A	1440	GLN	0	-0.002	-0.025	23.949	0.017	0.017	0.000	0.000	0.000	0.000
232	A	1441	ARG	1	0.931	0.967	25.038	-0.164	-0.164	0.000	0.000	0.000	0.000
233	A	1442	PHE	0	0.018	0.002	22.096	0.011	0.011	0.000	0.000	0.000	0.000
234	A	1443	HIS	0	0.059	0.027	25.878	-0.012	-0.012	0.000	0.000	0.000	0.000
235	A	1444	TYR	0	0.015	0.025	25.028	0.016	0.016	0.000	0.000	0.000	0.000
236	A	1445	SER	0	0.014	0.013	27.093	-0.019	-0.019	0.000	0.000	0.000	0.000
237	A	1446	ARG	1	0.965	0.991	28.571	-0.116	-0.116	0.000	0.000	0.000	0.000
238	A	1447	PRO	0	0.026	0.026	31.177	-0.007	-0.007	0.000	0.000	0.000	0.000
239	A	1448	VAL	0	-0.070	-0.049	34.160	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	1449	ARG	1	0.908	0.947	36.487	-0.087	-0.087	0.000	0.000	0.000	0.000
241	A	1450	ARG	1	0.840	0.917	38.090	-0.081	-0.081	0.000	0.000	0.000	0.000
242	A	1451	GLY	0	0.035	0.033	42.595	-0.003	-0.003	0.000	0.000	0.000	0.000
243	A	1452	THR	0	0.025	-0.006	45.206	0.002	0.002	0.000	0.000	0.000	0.000
244	A	1453	VAL	0	-0.032	-0.020	43.102	0.001	0.001	0.000	0.000	0.000	0.000
245	A	1454	ASP	-1	-0.872	-0.909	46.626	0.052	0.052	0.000	0.000	0.000	0.000
246	A	1455	PRO	0	-0.016	-0.015	46.935	0.003	0.003	0.000	0.000	0.000	0.000
247	A	1456	GLU	-1	-0.894	-0.954	46.869	0.058	0.058	0.000	0.000	0.000	0.000
248	A	1457	ASN	0	-0.055	-0.063	47.191	0.006	0.006	0.000	0.000	0.000	0.000
249	A	1458	GLU	-1	-0.804	-0.895	40.614	0.088	0.088	0.000	0.000	0.000	0.000
250	A	1459	PHE	0	0.001	-0.002	40.505	0.000	0.000	0.000	0.000	0.000	0.000
251	A	1460	ALA	0	0.026	0.026	43.889	0.001	0.001	0.000	0.000	0.000	0.000
252	A	1461	SER	0	-0.043	-0.027	43.884	0.000	0.000	0.000	0.000	0.000	0.000
253	A	1462	MET	0	-0.061	-0.037	38.194	0.003	0.003	0.000	0.000	0.000	0.000
254	A	1463	TRP	0	0.057	0.028	39.332	0.000	0.000	0.000	0.000	0.000	0.000
255	A	1464	ILE	0	0.011	0.012	33.667	0.005	0.005	0.000	0.000	0.000	0.000
256	A	1465	GLU	-1	-0.837	-0.884	32.730	0.092	0.092	0.000	0.000	0.000	0.000
257	A	1466	ARG	1	0.804	0.841	31.103	-0.128	-0.128	0.000	0.000	0.000	0.000
258	A	1467	THR	0	-0.017	0.000	26.448	-0.007	-0.007	0.000	0.000	0.000	0.000
259	A	1468	SER	0	-0.022	-0.024	28.077	0.011	0.011	0.000	0.000	0.000	0.000
260	A	1469	PHE	0	0.033	-0.003	23.003	-0.005	-0.005	0.000	0.000	0.000	0.000
261	A	1470	VAL	0	0.014	0.010	25.141	0.005	0.005	0.000	0.000	0.000	0.000
262	A	1471	THR	0	0.018	0.006	19.878	-0.007	-0.007	0.000	0.000	0.000	0.000
263	A	1472	ALA	0	0.011	0.008	20.164	-0.018	-0.018	0.000	0.000	0.000	0.000
264	A	1473	TYR	0	-0.008	-0.004	18.891	-0.020	-0.020	0.000	0.000	0.000	0.000
265	A	1474	LYS	1	0.891	0.949	21.426	-0.184	-0.184	0.000	0.000	0.000	0.000
266	A	1475	LEU	0	-0.037	0.013	17.283	0.031	0.031	0.000	0.000	0.000	0.000
267	A	1476	PRO	0	-0.029	-0.029	19.643	-0.019	-0.019	0.000	0.000	0.000	0.000
268	A	1477	GLY	0	0.075	0.032	18.644	-0.042	-0.042	0.000	0.000	0.000	0.000
269	A	1478	ILE	0	0.029	0.013	15.158	0.043	0.043	0.000	0.000	0.000	0.000
270	A	1479	LEU	0	-0.025	-0.002	10.666	0.056	0.056	0.000	0.000	0.000	0.000
271	A	1480	ARG	1	0.836	0.923	11.942	-0.821	-0.821	0.000	0.000	0.000	0.000
272	A	1481	TRP	0	0.005	0.002	8.002	0.126	0.126	0.000	0.000	0.000	0.000
273	A	1482	PHE	0	-0.008	-0.006	14.180	-0.034	-0.034	0.000	0.000	0.000	0.000
274	A	1483	GLU	-1	-0.798	-0.874	16.250	0.226	0.226	0.000	0.000	0.000	0.000
275	A	1484	VAL	0	-0.051	-0.047	17.312	-0.023	-0.023	0.000	0.000	0.000	0.000
276	A	1485	VAL	0	-0.005	-0.005	20.666	-0.016	-0.016	0.000	0.000	0.000	0.000
277	A	1486	HIS	0	-0.036	-0.013	23.157	-0.015	-0.015	0.000	0.000	0.000	0.000
278	A	1487	MET	0	0.002	-0.005	23.990	0.020	0.020	0.000	0.000	0.000	0.000
279	A	1488	SER	0	-0.036	-0.009	27.341	-0.016	-0.016	0.000	0.000	0.000	0.000
280	A	1489	GLN	0	0.003	-0.003	30.213	0.016	0.016	0.000	0.000	0.000	0.000
281	A	1490	THR	0	-0.047	-0.020	32.188	-0.007	-0.007	0.000	0.000	0.000	0.000
282	A	1491	THR	0	-0.031	-0.024	34.783	0.005	0.005	0.000	0.000	0.000	0.000
283	A	1492	ILE	0	-0.025	-0.004	36.347	-0.002	-0.002	0.000	0.000	0.000	0.000
284	A	1493	SER	0	0.012	-0.033	39.096	0.000	0.000	0.000	0.000	0.000	0.000
285	A	1494	PRO	0	0.027	0.012	42.024	0.004	0.004	0.000	0.000	0.000	0.000
286	A	1495	LEU	0	0.020	0.029	43.285	0.003	0.003	0.000	0.000	0.000	0.000
287	A	1496	GLU	-1	-0.786	-0.881	41.544	0.086	0.086	0.000	0.000	0.000	0.000
288	A	1497	ASN	0	-0.021	-0.026	37.795	0.005	0.005	0.000	0.000	0.000	0.000
289	A	1498	ALA	0	0.008	0.026	40.640	0.005	0.005	0.000	0.000	0.000	0.000
290	A	1499	ILE	0	0.036	0.018	43.392	0.002	0.002	0.000	0.000	0.000	0.000
291	A	1500	GLU	-1	-0.785	-0.837	37.059	0.128	0.128	0.000	0.000	0.000	0.000
292	A	1501	THR	0	-0.063	-0.035	39.524	0.006	0.006	0.000	0.000	0.000	0.000
293	A	1502	MET	0	0.001	0.006	40.515	0.002	0.002	0.000	0.000	0.000	0.000
294	A	1503	SER	0	-0.015	-0.020	40.982	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	1504	THR	0	-0.018	-0.013	36.450	0.005	0.005	0.000	0.000	0.000	0.000
296	A	1505	ALA	0	-0.031	-0.006	39.441	0.004	0.004	0.000	0.000	0.000	0.000
297	A	1506	ASN	0	0.037	0.007	41.675	0.000	0.000	0.000	0.000	0.000	0.000
298	A	1507	GLU	-1	-0.926	-0.965	38.332	0.127	0.127	0.000	0.000	0.000	0.000
299	A	1508	LYS	1	0.923	0.959	35.173	-0.142	-0.142	0.000	0.000	0.000	0.000
300	A	1509	ILE	0	-0.012	0.007	40.101	0.000	0.000	0.000	0.000	0.000	0.000
301	A	1510	LEU	0	0.008	0.006	43.555	-0.001	-0.001	0.000	0.000	0.000	0.000
302	A	1511	MET	0	-0.023	-0.010	37.436	0.004	0.004	0.000	0.000	0.000	0.000
303	A	1512	MET	0	0.015	0.024	39.095	-0.001	-0.001	0.000	0.000	0.000	0.000
304	A	1513	ILE	0	-0.010	-0.012	42.206	-0.003	-0.003	0.000	0.000	0.000	0.000
305	A	1514	ASN	0	-0.042	-0.017	42.873	-0.007	-0.007	0.000	0.000	0.000	0.000
306	A	1515	GLN	0	-0.031	-0.018	38.110	0.000	0.000	0.000	0.000	0.000	0.000
307	A	1516	TYR	0	-0.011	-0.042	41.131	0.000	0.000	0.000	0.000	0.000	0.000
308	A	1517	GLN	0	-0.047	-0.021	45.010	-0.005	-0.005	0.000	0.000	0.000	0.000
309	A	1518	SER	0	-0.046	-0.005	43.805	-0.002	-0.002	0.000	0.000	0.000	0.000
310	A	1519	ASP	-1	-0.838	-0.924	42.014	0.106	0.106	0.000	0.000	0.000	0.000
311	A	1520	GLU	-1	-0.811	-0.906	44.877	0.076	0.076	0.000	0.000	0.000	0.000
312	A	1521	THR	0	-0.035	-0.015	42.151	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	1522	LEU	0	-0.054	-0.013	39.609	0.003	0.003	0.000	0.000	0.000	0.000
314	A	1523	PRO	0	0.019	0.008	39.569	-0.005	-0.005	0.000	0.000	0.000	0.000
315	A	1524	ILE	0	0.080	0.053	42.296	0.005	0.005	0.000	0.000	0.000	0.000
316	A	1525	ASN	0	0.005	0.026	41.228	-0.002	-0.002	0.000	0.000	0.000	0.000
317	A	1526	PRO	0	-0.007	-0.021	38.281	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	1527	LEU	0	0.018	0.015	40.274	0.002	0.002	0.000	0.000	0.000	0.000
319	A	1528	SER	0	-0.015	-0.042	43.421	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	1529	MET	0	-0.053	-0.026	37.058	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	1530	LEU	0	-0.032	-0.003	39.896	0.000	0.000	0.000	0.000	0.000	0.000
322	A	1531	LEU	0	0.012	0.003	42.350	-0.002	-0.002	0.000	0.000	0.000	0.000
323	A	1532	ASN	0	0.067	0.020	45.983	-0.005	-0.005	0.000	0.000	0.000	0.000
324	A	1533	GLY	0	-0.026	-0.004	43.650	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	1534	ILE	0	-0.037	-0.021	42.451	0.001	0.001	0.000	0.000	0.000	0.000
326	A	1535	VAL	0	-0.060	-0.018	46.109	-0.003	-0.003	0.000	0.000	0.000	0.000
327	A	1536	ASP	-1	-0.859	-0.930	48.616	0.062	0.062	0.000	0.000	0.000	0.000
328	A	1537	PRO	0	-0.047	0.008	46.095	0.002	0.002	0.000	0.000	0.000	0.000
329	A	1538	ALA	0	-0.002	-0.010	47.245	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	1539	VAL	0	-0.040	-0.010	42.687	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	1540	MET	0	0.001	-0.001	40.602	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	1541	GLY	0	-0.034	-0.039	44.528	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	1542	GLY	0	0.129	0.069	46.491	-0.002	-0.002	0.000	0.000	0.000	0.000
334	A	1543	PHE	0	-0.009	-0.019	47.488	0.001	0.001	0.000	0.000	0.000	0.000
335	A	1544	ALA	0	0.049	0.031	48.668	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	1545	LYS	1	0.899	0.961	46.697	-0.070	-0.070	0.000	0.000	0.000	0.000
337	A	1546	TYR	0	0.040	0.012	42.432	0.000	0.000	0.000	0.000	0.000	0.000
338	A	1547	GLU	-1	-0.819	-0.876	49.079	0.058	0.058	0.000	0.000	0.000	0.000
339	A	1548	LYS	1	0.883	0.946	51.788	-0.056	-0.056	0.000	0.000	0.000	0.000
340	A	1549	ALA	0	-0.100	-0.055	48.939	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	1550	PHE	0	0.003	-0.009	45.851	0.000	0.000	0.000	0.000	0.000	0.000
342	A	1551	PHE	0	-0.002	0.001	51.963	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	1552	THR	0	0.015	0.024	55.332	-0.002	-0.002	0.000	0.000	0.000	0.000
344	A	1553	GLU	-1	-0.890	-0.952	57.420	0.039	0.039	0.000	0.000	0.000	0.000
345	A	1554	GLU	-1	-0.943	-0.972	56.617	0.042	0.042	0.000	0.000	0.000	0.000
346	A	1555	TYR	0	-0.008	-0.009	49.278	0.001	0.001	0.000	0.000	0.000	0.000
347	A	1556	VAL	0	0.002	-0.012	54.763	0.001	0.001	0.000	0.000	0.000	0.000
348	A	1557	ARG	1	0.830	0.912	56.735	-0.040	-0.040	0.000	0.000	0.000	0.000
349	A	1558	ASP	-1	-0.923	-0.952	54.278	0.043	0.043	0.000	0.000	0.000	0.000
350	A	1559	HIS	1	0.827	0.927	50.848	-0.054	-0.054	0.000	0.000	0.000	0.000
351	A	1560	PRO	0	0.046	0.036	53.756	0.001	0.001	0.000	0.000	0.000	0.000
352	A	1561	GLU	-1	-0.875	-0.960	50.297	0.054	0.054	0.000	0.000	0.000	0.000
353	A	1562	ASP	-1	-0.831	-0.913	48.801	0.067	0.067	0.000	0.000	0.000	0.000
354	A	1563	GLN	0	-0.026	-0.012	51.408	0.000	0.000	0.000	0.000	0.000	0.000
355	A	1564	ASP	-1	-0.938	-0.959	51.440	0.063	0.063	0.000	0.000	0.000	0.000
356	A	1565	LYS	1	0.885	0.925	45.445	-0.069	-0.069	0.000	0.000	0.000	0.000
357	A	1566	LEU	0	-0.012	-0.007	50.004	0.003	0.003	0.000	0.000	0.000	0.000
358	A	1567	THR	0	0.016	0.007	52.119	0.000	0.000	0.000	0.000	0.000	0.000
359	A	1568	HIS	0	0.041	0.031	45.262	-0.001	-0.001	0.000	0.000	0.000	0.000
360	A	1569	LEU	0	-0.013	-0.012	47.495	0.002	0.002	0.000	0.000	0.000	0.000
361	A	1570	LYS	1	0.828	0.909	49.630	-0.054	-0.054	0.000	0.000	0.000	0.000
362	A	1571	ASP	-1	-0.824	-0.898	51.690	0.064	0.064	0.000	0.000	0.000	0.000
363	A	1572	LEU	0	-0.029	-0.011	45.453	0.001	0.001	0.000	0.000	0.000	0.000
364	A	1573	ILE	0	0.027	0.023	49.407	0.002	0.002	0.000	0.000	0.000	0.000
365	A	1574	ALA	0	0.008	0.003	51.170	0.000	0.000	0.000	0.000	0.000	0.000
366	A	1575	TRP	0	-0.052	-0.035	47.707	-0.001	-0.001	0.000	0.000	0.000	0.000
367	A	1576	GLN	0	-0.015	-0.019	46.097	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	1577	ILE	0	0.008	0.007	49.672	0.001	0.001	0.000	0.000	0.000	0.000
369	A	1578	PRO	0	-0.017	-0.013	52.713	0.000	0.000	0.000	0.000	0.000	0.000
370	A	1579	PHE	0	-0.010	0.000	45.843	0.000	0.000	0.000	0.000	0.000	0.000
371	A	1580	LEU	0	0.018	0.017	47.532	0.001	0.001	0.000	0.000	0.000	0.000
372	A	1581	GLY	0	0.042	0.026	50.294	0.000	0.000	0.000	0.000	0.000	0.000
373	A	1582	ALA	0	-0.050	-0.018	50.596	0.000	0.000	0.000	0.000	0.000	0.000
374	A	1583	GLY	0	0.065	0.018	48.570	0.000	0.000	0.000	0.000	0.000	0.000
375	A	1584	ILE	0	0.006	0.001	49.363	0.001	0.001	0.000	0.000	0.000	0.000
376	A	1585	LYS	1	0.892	0.935	51.969	-0.074	-0.074	0.000	0.000	0.000	0.000
377	A	1586	ILE	0	-0.065	-0.026	48.212	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	1587	HIS	0	0.005	0.005	47.472	0.004	0.004	0.000	0.000	0.000	0.000
379	A	1588	GLU	-1	-0.915	-0.949	50.530	0.059	0.059	0.000	0.000	0.000	0.000
380	A	1589	LYS	1	0.884	0.941	52.424	-0.072	-0.072	0.000	0.000	0.000	0.000
381	A	1590	ARG	1	0.720	0.862	45.855	-0.089	-0.089	0.000	0.000	0.000	0.000
382	A	1591	VAL	0	0.005	0.013	49.676	0.004	0.004	0.000	0.000	0.000	0.000
383	A	1592	SER	0	-0.026	-0.020	49.916	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	1593	ASP	-1	-0.796	-0.924	51.663	0.057	0.057	0.000	0.000	0.000	0.000
385	A	1594	ASN	0	-0.075	-0.021	49.537	-0.001	-0.001	0.000	0.000	0.000	0.000
386	A	1595	LEU	0	-0.010	-0.009	47.531	-0.001	-0.001	0.000	0.000	0.000	0.000
387	A	1596	ARG	1	0.873	0.932	52.140	-0.057	-0.057	0.000	0.000	0.000	0.000
388	A	1597	PRO	0	0.025	0.015	55.028	0.000	0.000	0.000	0.000	0.000	0.000
389	A	1598	PHE	0	-0.019	-0.016	47.399	0.000	0.000	0.000	0.000	0.000	0.000
390	A	1599	HIS	0	0.017	0.018	52.527	0.003	0.003	0.000	0.000	0.000	0.000
391	A	1600	ASP	-1	-0.839	-0.928	53.376	0.055	0.055	0.000	0.000	0.000	0.000
392	A	1601	ARG	1	0.879	0.931	53.255	-0.061	-0.061	0.000	0.000	0.000	0.000
393	A	1602	MET	0	-0.012	-0.004	48.638	0.001	0.001	0.000	0.000	0.000	0.000
394	A	1603	GLU	-1	-0.780	-0.871	53.434	0.060	0.060	0.000	0.000	0.000	0.000
395	A	1604	GLU	-1	-0.940	-0.951	56.183	0.050	0.050	0.000	0.000	0.000	0.000
396	A	1605	CYS	0	-0.049	-0.026	53.644	-0.002	-0.002	0.000	0.000	0.000	0.000
397	A	1606	PHE	0	0.041	0.041	53.475	-0.001	-0.001	0.000	0.000	0.000	0.000
398	A	1607	LYS	1	0.844	0.901	55.292	-0.057	-0.057	0.000	0.000	0.000	0.000
399	A	1608	ASN	0	-0.042	-0.039	58.415	-0.002	-0.002	0.000	0.000	0.000	0.000
400	A	1609	LEU	0	-0.006	-0.006	51.980	-0.001	-0.001	0.000	0.000	0.000	0.000
401	A	1610	LYS	1	0.861	0.926	56.628	-0.058	-0.058	0.000	0.000	0.000	0.000
402	A	1611	MET	0	-0.026	-0.006	57.913	-0.001	-0.001	0.000	0.000	0.000	0.000
403	A	1612	LYS	1	0.865	0.924	58.519	-0.052	-0.052	0.000	0.000	0.000	0.000
404	A	1613	VAL	0	0.037	0.021	54.542	-0.001	-0.001	0.000	0.000	0.000	0.000
405	A	1614	GLU	-1	-0.834	-0.928	57.760	0.056	0.056	0.000	0.000	0.000	0.000
406	A	1615	LYS	1	0.853	0.969	60.046	-0.044	-0.044	0.000	0.000	0.000	0.000
407	A	1616	GLU	-1	-0.872	-0.916	58.318	0.049	0.049	0.000	0.000	0.000	0.000
408	A	1617	TYR	0	-0.044	-0.055	55.140	0.000	0.000	0.000	0.000	0.000	0.000
409	A	1618	GLY	0	0.037	-0.005	58.527	0.001	0.001	0.000	0.000	0.000	0.000
410	A	1619	VAL	0	-0.008	-0.002	58.316	0.002	0.002	0.000	0.000	0.000	0.000
411	A	1620	ARG	1	0.804	0.882	54.030	-0.061	-0.061	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:1196:SER)