FMO DATABASE

FMODB ID: 9G932

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	OptAll
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	-7323524.928741
FMO2-HF: Nuclear repulsion	7150163.593215
FMO2-HF: Total energy	-173361.335526
FMO2-MP2: Total energy	-173860.35139

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.
-0.576	3.344	1.018	-1.922	-3.016	-0.004

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 : 0.042 / q_NPA : 0.015

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	-0.708	-0.856	3.876	-0.329	1.232	0.001	-0.628	-0.933	0.002
4	A	1199	ASN	0	0.008	0.009	2.446	-1.687	-0.350	1.009	-0.992	-1.354	-0.006
5	A	1200	ARG	1	0.809	0.896	3.608	-1.251	-0.631	0.004	-0.226	-0.399	0.000
6	A	1201	MET	0	0.028	0.036	5.933	0.196	0.196	0.000	0.000	0.000	0.000
7	A	1202	SER	0	0.036	0.000	7.567	-0.130	-0.130	0.000	0.000	0.000	0.000
8	A	1203	CYS	0	-0.019	-0.006	8.003	-0.082	-0.082	0.000	0.000	0.000	0.000
9	A	1204	THR	0	-0.026	-0.016	9.730	-0.026	-0.026	0.000	0.000	0.000	0.000
10	A	1205	VAL	0	0.036	0.014	11.774	-0.012	-0.012	0.000	0.000	0.000	0.000
11	A	1206	ASN	0	-0.013	-0.002	11.895	0.024	0.024	0.000	0.000	0.000	0.000
12	A	1207	LEU	0	-0.015	-0.013	13.084	-0.013	-0.013	0.000	0.000	0.000	0.000
13	A	1208	LEU	0	-0.015	0.009	15.665	-0.002	-0.002	0.000	0.000	0.000	0.000
14	A	1209	ASN	0	0.007	0.002	16.927	-0.004	-0.004	0.000	0.000	0.000	0.000
15	A	1210	PHE	0	0.046	0.030	18.520	-0.008	-0.008	0.000	0.000	0.000	0.000
16	A	1211	TYR	0	-0.027	-0.035	17.295	-0.011	-0.011	0.000	0.000	0.000	0.000
17	A	1212	LYS	1	0.847	0.905	21.661	-0.083	-0.083	0.000	0.000	0.000	0.000
18	A	1213	ASP	-1	-0.851	-0.900	22.768	0.051	0.051	0.000	0.000	0.000	0.000
19	A	1214	ASN	0	-0.097	-0.050	23.220	-0.003	-0.003	0.000	0.000	0.000	0.000
20	A	1215	ASN	0	-0.025	-0.012	26.276	-0.003	-0.003	0.000	0.000	0.000	0.000
21	A	1216	ARG	1	0.932	0.984	24.016	0.049	0.049	0.000	0.000	0.000	0.000
22	A	1217	GLU	-1	-0.855	-0.949	24.195	0.033	0.033	0.000	0.000	0.000	0.000
23	A	1218	GLU	-1	-0.892	-0.941	24.344	-0.031	-0.031	0.000	0.000	0.000	0.000
24	A	1219	MET	0	-0.036	-0.023	20.406	-0.003	-0.003	0.000	0.000	0.000	0.000
25	A	1220	TYR	0	-0.012	-0.008	19.892	0.005	0.005	0.000	0.000	0.000	0.000
26	A	1221	ILE	0	0.061	0.026	20.284	0.019	0.019	0.000	0.000	0.000	0.000
27	A	1222	ARG	1	0.899	0.953	17.504	0.116	0.116	0.000	0.000	0.000	0.000
28	A	1223	TYR	0	-0.029	-0.042	13.906	-0.020	-0.020	0.000	0.000	0.000	0.000
29	A	1224	LEU	0	-0.004	0.023	16.001	0.037	0.037	0.000	0.000	0.000	0.000
30	A	1225	TYR	0	-0.005	-0.009	17.484	0.046	0.046	0.000	0.000	0.000	0.000
31	A	1226	LYS	1	0.931	0.970	12.555	0.081	0.081	0.000	0.000	0.000	0.000
32	A	1227	LEU	0	-0.007	-0.001	11.879	0.049	0.049	0.000	0.000	0.000	0.000
33	A	1228	ARG	1	0.871	0.921	13.774	-0.098	-0.098	0.000	0.000	0.000	0.000
34	A	1229	ASP	-1	-0.813	-0.895	14.323	0.252	0.252	0.000	0.000	0.000	0.000
35	A	1230	LEU	0	-0.054	-0.022	8.059	0.062	0.062	0.000	0.000	0.000	0.000
36	A	1231	HIS	0	0.023	-0.008	10.821	0.358	0.358	0.000	0.000	0.000	0.000
37	A	1232	LEU	0	-0.021	-0.006	13.218	0.049	0.049	0.000	0.000	0.000	0.000
38	A	1233	ASP	-1	-0.826	-0.893	9.395	0.658	0.658	0.000	0.000	0.000	0.000
39	A	1234	CYS	0	-0.086	-0.032	9.543	0.333	0.333	0.000	0.000	0.000	0.000
40	A	1235	ASP	-1	-0.807	-0.872	11.969	0.511	0.511	0.000	0.000	0.000	0.000
41	A	1236	ASN	0	-0.129	-0.058	11.527	-0.015	-0.015	0.000	0.000	0.000	0.000
42	A	1237	TYR	0	0.046	-0.027	15.667	-0.059	-0.059	0.000	0.000	0.000	0.000
43	A	1238	THR	0	-0.042	-0.026	18.817	-0.042	-0.042	0.000	0.000	0.000	0.000
44	A	1239	GLU	-1	-0.772	-0.864	14.934	0.607	0.607	0.000	0.000	0.000	0.000
45	A	1240	ALA	0	0.006	-0.001	17.063	-0.038	-0.038	0.000	0.000	0.000	0.000
46	A	1241	ALA	0	0.020	0.030	18.166	-0.044	-0.044	0.000	0.000	0.000	0.000
47	A	1242	TYR	0	-0.007	-0.039	20.134	-0.019	-0.019	0.000	0.000	0.000	0.000
48	A	1243	THR	0	-0.094	-0.065	16.294	-0.023	-0.023	0.000	0.000	0.000	0.000
49	A	1244	LEU	0	0.025	0.010	19.749	-0.030	-0.030	0.000	0.000	0.000	0.000
50	A	1245	LEU	0	0.035	0.018	22.783	-0.021	-0.021	0.000	0.000	0.000	0.000
51	A	1246	LEU	0	-0.045	-0.013	19.887	-0.015	-0.015	0.000	0.000	0.000	0.000
52	A	1247	HIS	0	0.054	0.034	23.915	-0.010	-0.010	0.000	0.000	0.000	0.000
53	A	1248	THR	0	0.026	0.005	25.536	-0.011	-0.011	0.000	0.000	0.000	0.000
54	A	1249	TRP	0	-0.019	-0.003	27.524	-0.005	-0.005	0.000	0.000	0.000	0.000
55	A	1250	LEU	0	-0.043	-0.019	26.565	-0.006	-0.006	0.000	0.000	0.000	0.000
56	A	1251	LEU	0	-0.055	-0.004	29.616	-0.009	-0.009	0.000	0.000	0.000	0.000
57	A	1252	LYS	1	0.842	0.896	32.537	-0.038	-0.038	0.000	0.000	0.000	0.000
58	A	1253	TRP	0	0.034	0.010	34.490	-0.002	-0.002	0.000	0.000	0.000	0.000
59	A	1254	SER	0	-0.045	-0.052	38.610	-0.002	-0.002	0.000	0.000	0.000	0.000
60	A	1255	ASP	-1	-0.878	-0.942	39.450	0.037	0.037	0.000	0.000	0.000	0.000
61	A	1256	GLU	-1	-0.791	-0.846	38.332	0.038	0.038	0.000	0.000	0.000	0.000
62	A	1271	GLN	0	-0.019	-0.015	32.085	0.001	0.001	0.000	0.000	0.000	0.000
63	A	1272	THR	0	-0.034	-0.032	35.918	0.000	0.000	0.000	0.000	0.000	0.000
64	A	1273	HIS	0	0.021	-0.001	34.000	0.009	0.009	0.000	0.000	0.000	0.000
65	A	1274	ARG	1	0.857	0.916	34.934	-0.052	-0.052	0.000	0.000	0.000	0.000
66	A	1275	GLN	0	0.092	0.069	36.111	0.003	0.003	0.000	0.000	0.000	0.000
67	A	1276	LEU	0	-0.032	0.002	29.540	0.005	0.005	0.000	0.000	0.000	0.000
68	A	1277	LYS	1	0.886	0.945	31.293	-0.085	-0.085	0.000	0.000	0.000	0.000
69	A	1278	GLU	-1	-0.830	-0.889	31.837	0.084	0.084	0.000	0.000	0.000	0.000
70	A	1279	THR	0	0.028	0.004	31.232	0.010	0.010	0.000	0.000	0.000	0.000
71	A	1280	LEU	0	-0.037	-0.016	26.607	0.013	0.013	0.000	0.000	0.000	0.000
72	A	1281	TYR	0	-0.061	-0.074	27.980	0.019	0.019	0.000	0.000	0.000	0.000
73	A	1282	GLU	-1	-0.915	-0.950	29.730	0.117	0.117	0.000	0.000	0.000	0.000
74	A	1283	THR	0	-0.079	-0.041	24.596	0.013	0.013	0.000	0.000	0.000	0.000
75	A	1284	ILE	0	-0.061	-0.031	24.869	0.024	0.024	0.000	0.000	0.000	0.000
76	A	1285	ILE	0	0.004	0.004	26.073	0.021	0.021	0.000	0.000	0.000	0.000
77	A	1286	GLY	0	0.029	0.018	27.665	0.009	0.009	0.000	0.000	0.000	0.000
78	A	1287	TYR	0	-0.063	-0.043	20.441	0.024	0.024	0.000	0.000	0.000	0.000
79	A	1288	PHE	0	0.039	0.001	23.509	0.033	0.033	0.000	0.000	0.000	0.000
80	A	1289	ASP	-1	-0.829	-0.893	25.509	0.194	0.194	0.000	0.000	0.000	0.000
81	A	1290	LYS	1	0.916	0.959	21.371	-0.299	-0.299	0.000	0.000	0.000	0.000
82	A	1291	GLY	0	-0.048	-0.027	22.295	0.025	0.025	0.000	0.000	0.000	0.000
83	A	1292	LYS	1	0.811	0.891	23.215	-0.320	-0.320	0.000	0.000	0.000	0.000
84	A	1293	MET	0	-0.041	0.002	23.614	-0.005	-0.005	0.000	0.000	0.000	0.000
85	A	1294	TRP	0	0.057	0.000	26.998	-0.008	-0.008	0.000	0.000	0.000	0.000
86	A	1295	GLU	-1	-0.765	-0.849	29.887	0.195	0.195	0.000	0.000	0.000	0.000
87	A	1296	GLU	-1	-0.780	-0.826	26.524	0.200	0.200	0.000	0.000	0.000	0.000
88	A	1297	ALA	0	0.005	0.013	29.415	-0.011	-0.011	0.000	0.000	0.000	0.000
89	A	1298	ILE	0	0.015	0.000	30.670	-0.013	-0.013	0.000	0.000	0.000	0.000
90	A	1299	SER	0	-0.092	-0.050	31.361	-0.011	-0.011	0.000	0.000	0.000	0.000
91	A	1300	LEU	0	0.045	0.018	28.310	-0.008	-0.008	0.000	0.000	0.000	0.000
92	A	1301	CYS	0	-0.035	-0.010	32.976	-0.009	-0.009	0.000	0.000	0.000	0.000
93	A	1302	LYS	1	0.870	0.927	35.630	-0.119	-0.119	0.000	0.000	0.000	0.000
94	A	1303	GLU	-1	-0.783	-0.852	33.926	0.104	0.104	0.000	0.000	0.000	0.000
95	A	1304	LEU	0	-0.007	-0.005	34.184	-0.005	-0.005	0.000	0.000	0.000	0.000
96	A	1305	ALA	0	-0.020	-0.008	38.071	-0.005	-0.005	0.000	0.000	0.000	0.000
97	A	1306	GLU	-1	-0.915	-0.955	41.073	0.072	0.072	0.000	0.000	0.000	0.000
98	A	1307	GLN	0	-0.001	-0.010	39.206	-0.007	-0.007	0.000	0.000	0.000	0.000
99	A	1308	TYR	0	-0.052	-0.071	38.351	-0.002	-0.002	0.000	0.000	0.000	0.000
100	A	1309	GLU	-1	-0.960	-0.985	43.745	0.064	0.064	0.000	0.000	0.000	0.000
101	A	1310	MET	0	-0.068	-0.044	45.994	-0.004	-0.004	0.000	0.000	0.000	0.000
102	A	1311	GLU	-1	-0.868	-0.900	43.429	0.055	0.055	0.000	0.000	0.000	0.000
103	A	1312	ILE	0	-0.057	-0.040	41.697	-0.003	-0.003	0.000	0.000	0.000	0.000
104	A	1313	PHE	0	-0.061	-0.022	46.159	-0.002	-0.002	0.000	0.000	0.000	0.000
105	A	1314	ASP	-1	-0.797	-0.877	44.028	0.060	0.060	0.000	0.000	0.000	0.000
106	A	1315	TYR	0	-0.005	-0.022	45.049	0.003	0.003	0.000	0.000	0.000	0.000
107	A	1316	GLU	-1	-0.904	-0.938	45.708	0.056	0.056	0.000	0.000	0.000	0.000
108	A	1317	LEU	0	-0.003	0.005	39.879	0.005	0.005	0.000	0.000	0.000	0.000
109	A	1318	LEU	0	-0.025	0.003	41.382	0.007	0.007	0.000	0.000	0.000	0.000
110	A	1319	SER	0	-0.079	-0.052	42.929	0.005	0.005	0.000	0.000	0.000	0.000
111	A	1320	GLN	0	0.031	0.008	39.583	0.006	0.006	0.000	0.000	0.000	0.000
112	A	1321	ASN	0	-0.019	-0.003	38.056	0.010	0.010	0.000	0.000	0.000	0.000
113	A	1322	LEU	0	0.024	0.004	38.890	0.007	0.007	0.000	0.000	0.000	0.000
114	A	1323	ILE	0	-0.005	0.006	39.717	0.004	0.004	0.000	0.000	0.000	0.000
115	A	1324	GLN	0	0.053	0.033	32.705	0.008	0.008	0.000	0.000	0.000	0.000
116	A	1325	GLN	0	0.030	0.006	36.492	0.010	0.010	0.000	0.000	0.000	0.000
117	A	1326	ALA	0	-0.016	0.000	37.963	0.005	0.005	0.000	0.000	0.000	0.000
118	A	1327	LYS	1	0.832	0.904	32.023	-0.155	-0.155	0.000	0.000	0.000	0.000
119	A	1328	PHE	0	-0.029	-0.005	31.843	0.009	0.009	0.000	0.000	0.000	0.000
120	A	1329	TYR	0	0.033	0.005	35.047	0.006	0.006	0.000	0.000	0.000	0.000
121	A	1330	GLU	-1	-0.769	-0.862	37.710	0.117	0.117	0.000	0.000	0.000	0.000
122	A	1331	SER	0	-0.051	-0.044	32.803	0.004	0.004	0.000	0.000	0.000	0.000
123	A	1332	ILE	0	-0.044	-0.027	32.780	0.008	0.008	0.000	0.000	0.000	0.000
124	A	1333	MET	0	-0.049	-0.022	34.488	0.003	0.003	0.000	0.000	0.000	0.000
125	A	1334	LYS	1	0.807	0.888	36.770	-0.116	-0.116	0.000	0.000	0.000	0.000
126	A	1335	ILE	0	-0.012	0.011	30.846	0.001	0.001	0.000	0.000	0.000	0.000
127	A	1336	LEU	0	-0.017	-0.016	31.888	0.008	0.008	0.000	0.000	0.000	0.000
128	A	1337	ARG	1	0.766	0.857	27.444	-0.208	-0.208	0.000	0.000	0.000	0.000
129	A	1338	PRO	0	-0.018	-0.006	24.466	-0.006	-0.006	0.000	0.000	0.000	0.000
130	A	1339	LYS	1	0.816	0.905	24.703	-0.302	-0.302	0.000	0.000	0.000	0.000
131	A	1340	PRO	0	0.012	0.016	20.726	0.007	0.007	0.000	0.000	0.000	0.000
132	A	1341	ASP	-1	-0.850	-0.914	20.596	0.311	0.311	0.000	0.000	0.000	0.000
133	A	1342	TYR	0	0.014	-0.016	18.968	0.059	0.059	0.000	0.000	0.000	0.000
134	A	1343	PHE	0	-0.023	-0.015	15.249	-0.059	-0.059	0.000	0.000	0.000	0.000
135	A	1344	ALA	0	0.022	0.031	16.947	0.046	0.046	0.000	0.000	0.000	0.000
136	A	1345	VAL	0	-0.019	-0.020	12.945	-0.002	-0.002	0.000	0.000	0.000	0.000
137	A	1346	GLY	0	0.018	0.014	16.101	-0.013	-0.013	0.000	0.000	0.000	0.000
138	A	1347	TYR	0	0.007	0.006	10.590	0.016	0.016	0.000	0.000	0.000	0.000
139	A	1348	TYR	0	0.021	-0.011	15.214	-0.047	-0.047	0.000	0.000	0.000	0.000
140	A	1349	GLY	0	0.056	0.035	17.418	-0.004	-0.004	0.000	0.000	0.000	0.000
141	A	1350	GLN	0	-0.031	-0.026	17.796	0.015	0.015	0.000	0.000	0.000	0.000
142	A	1351	GLY	0	0.026	0.033	16.029	-0.028	-0.028	0.000	0.000	0.000	0.000
143	A	1352	PHE	0	-0.025	0.003	10.730	-0.047	-0.047	0.000	0.000	0.000	0.000
144	A	1353	PRO	0	0.038	0.026	9.902	-0.017	-0.017	0.000	0.000	0.000	0.000
145	A	1354	SER	0	0.023	-0.016	13.252	0.061	0.061	0.000	0.000	0.000	0.000
146	A	1355	PHE	0	-0.026	-0.010	7.650	-0.005	-0.005	0.000	0.000	0.000	0.000
147	A	1356	LEU	0	-0.002	-0.007	8.762	0.062	0.062	0.000	0.000	0.000	0.000
148	A	1357	ARG	1	0.920	0.953	13.463	0.015	0.015	0.000	0.000	0.000	0.000
149	A	1358	ASN	0	-0.025	-0.035	16.396	0.008	0.008	0.000	0.000	0.000	0.000
150	A	1359	LYS	1	0.800	0.922	15.938	-0.167	-0.167	0.000	0.000	0.000	0.000
151	A	1360	VAL	0	0.018	-0.001	17.343	0.023	0.023	0.000	0.000	0.000	0.000
152	A	1361	PHE	0	-0.012	-0.004	14.068	0.000	0.000	0.000	0.000	0.000	0.000
153	A	1362	ILE	0	-0.008	0.007	16.630	0.012	0.012	0.000	0.000	0.000	0.000
154	A	1363	TYR	0	0.018	-0.003	8.912	-0.159	-0.159	0.000	0.000	0.000	0.000
155	A	1364	ARG	1	0.868	0.921	15.398	-0.517	-0.517	0.000	0.000	0.000	0.000
156	A	1365	GLY	0	0.022	0.020	15.582	0.092	0.092	0.000	0.000	0.000	0.000
157	A	1366	LYS	1	0.848	0.896	13.380	-0.949	-0.949	0.000	0.000	0.000	0.000
158	A	1367	GLU	-1	-0.831	-0.903	16.603	0.318	0.318	0.000	0.000	0.000	0.000
159	A	1368	TYR	0	-0.006	-0.016	19.364	0.004	0.004	0.000	0.000	0.000	0.000
160	A	1369	GLU	-1	-0.858	-0.899	12.949	1.071	1.071	0.000	0.000	0.000	0.000
161	A	1370	ARG	1	0.933	0.945	17.729	-0.351	-0.351	0.000	0.000	0.000	0.000
162	A	1371	ARG	1	0.821	0.896	16.958	-0.303	-0.303	0.000	0.000	0.000	0.000
163	A	1372	GLU	-1	-0.799	-0.873	16.491	0.408	0.408	0.000	0.000	0.000	0.000
164	A	1373	ASP	-1	-0.831	-0.920	15.024	0.526	0.526	0.000	0.000	0.000	0.000
165	A	1374	PHE	0	0.003	0.008	11.011	0.103	0.103	0.000	0.000	0.000	0.000
166	A	1375	GLN	0	0.034	0.011	11.604	0.130	0.130	0.000	0.000	0.000	0.000
167	A	1376	MET	0	-0.020	-0.004	12.213	-0.003	-0.003	0.000	0.000	0.000	0.000
168	A	1377	GLN	0	-0.036	-0.015	8.234	0.229	0.229	0.000	0.000	0.000	0.000
169	A	1378	LEU	0	-0.024	-0.013	7.597	0.216	0.216	0.000	0.000	0.000	0.000
170	A	1379	MET	0	-0.009	-0.019	8.321	-0.056	-0.056	0.000	0.000	0.000	0.000
171	A	1380	THR	0	-0.044	-0.022	7.075	-0.235	-0.235	0.000	0.000	0.000	0.000
172	A	1381	GLN	0	-0.107	-0.054	3.716	0.469	0.804	0.005	-0.075	-0.266	0.000
173	A	1382	PHE	0	-0.060	-0.026	5.369	-0.606	-0.539	-0.001	-0.001	-0.064	0.000
174	A	1383	PRO	0	0.028	0.011	7.787	0.055	0.055	0.000	0.000	0.000	0.000
175	A	1384	ASN	0	-0.034	-0.014	11.023	-0.016	-0.016	0.000	0.000	0.000	0.000
176	A	1385	ALA	0	-0.032	-0.005	12.543	0.008	0.008	0.000	0.000	0.000	0.000
177	A	1386	GLU	-1	-0.871	-0.934	14.143	0.129	0.129	0.000	0.000	0.000	0.000
178	A	1387	LYS	1	0.864	0.935	16.501	-0.143	-0.143	0.000	0.000	0.000	0.000
179	A	1388	MET	0	0.040	0.021	17.845	-0.017	-0.017	0.000	0.000	0.000	0.000
180	A	1389	ASN	0	-0.033	-0.015	20.746	0.028	0.028	0.000	0.000	0.000	0.000
181	A	1390	THR	0	-0.009	-0.013	23.321	-0.008	-0.008	0.000	0.000	0.000	0.000
182	A	1391	THR	0	0.038	0.006	23.193	0.008	0.008	0.000	0.000	0.000	0.000
183	A	1392	SER	0	-0.014	0.001	24.911	0.005	0.005	0.000	0.000	0.000	0.000
184	A	1393	ALA	0	0.042	0.030	25.020	0.009	0.009	0.000	0.000	0.000	0.000
185	A	1394	PRO	0	0.005	0.016	22.307	-0.013	-0.013	0.000	0.000	0.000	0.000
186	A	1395	GLY	0	0.072	0.038	25.610	-0.003	-0.003	0.000	0.000	0.000	0.000
187	A	1396	ASP	-1	-0.850	-0.942	26.173	0.055	0.055	0.000	0.000	0.000	0.000
188	A	1397	ASP	-1	-0.875	-0.925	26.683	0.040	0.040	0.000	0.000	0.000	0.000
189	A	1398	VAL	0	0.005	-0.003	21.699	-0.008	-0.008	0.000	0.000	0.000	0.000
190	A	1399	LYS	1	0.809	0.893	21.888	-0.081	-0.081	0.000	0.000	0.000	0.000
191	A	1400	ASN	0	-0.079	-0.039	22.100	-0.012	-0.012	0.000	0.000	0.000	0.000
192	A	1401	ALA	0	0.027	0.032	22.690	-0.017	-0.017	0.000	0.000	0.000	0.000
193	A	1402	PRO	0	-0.015	-0.018	20.823	0.006	0.006	0.000	0.000	0.000	0.000
194	A	1403	GLY	0	0.020	0.022	18.192	-0.025	-0.025	0.000	0.000	0.000	0.000
195	A	1404	GLN	0	-0.051	-0.033	11.123	0.031	0.031	0.000	0.000	0.000	0.000
196	A	1405	TYR	0	0.013	-0.002	15.828	-0.007	-0.007	0.000	0.000	0.000	0.000
197	A	1406	ILE	0	0.017	0.011	11.232	0.017	0.017	0.000	0.000	0.000	0.000
198	A	1407	GLN	0	-0.044	-0.025	15.586	-0.006	-0.006	0.000	0.000	0.000	0.000
199	A	1408	CYS	0	-0.015	-0.014	15.610	0.063	0.063	0.000	0.000	0.000	0.000
200	A	1409	PHE	0	-0.034	-0.013	17.612	-0.029	-0.029	0.000	0.000	0.000	0.000
201	A	1410	THR	0	0.042	0.011	20.156	0.037	0.037	0.000	0.000	0.000	0.000
202	A	1411	VAL	0	-0.049	-0.018	21.195	-0.037	-0.037	0.000	0.000	0.000	0.000
203	A	1412	GLN	0	0.018	0.003	23.711	0.016	0.016	0.000	0.000	0.000	0.000
204	A	1413	PRO	0	0.003	-0.003	24.636	-0.006	-0.006	0.000	0.000	0.000	0.000
205	A	1414	VAL	0	-0.030	-0.006	26.718	-0.017	-0.017	0.000	0.000	0.000	0.000
206	A	1415	LEU	0	-0.013	-0.004	29.609	0.007	0.007	0.000	0.000	0.000	0.000
207	A	1416	ASP	-1	-0.815	-0.897	29.909	0.167	0.167	0.000	0.000	0.000	0.000
208	A	1417	GLU	-1	-0.825	-0.889	32.074	0.104	0.104	0.000	0.000	0.000	0.000
209	A	1418	HIS	0	-0.023	-0.027	31.299	0.006	0.006	0.000	0.000	0.000	0.000
210	A	1419	PRO	0	0.019	-0.002	36.513	-0.004	-0.004	0.000	0.000	0.000	0.000
211	A	1420	ARG	1	0.903	0.951	34.081	-0.146	-0.146	0.000	0.000	0.000	0.000
212	A	1421	PHE	0	0.012	-0.010	35.511	-0.003	-0.003	0.000	0.000	0.000	0.000
213	A	1422	LYS	1	0.802	0.912	41.022	-0.101	-0.101	0.000	0.000	0.000	0.000
214	A	1423	ASN	0	-0.003	-0.006	42.811	-0.001	-0.001	0.000	0.000	0.000	0.000
215	A	1424	LYS	1	0.937	0.972	43.750	-0.087	-0.087	0.000	0.000	0.000	0.000
216	A	1425	PRO	0	0.041	0.038	44.353	0.003	0.003	0.000	0.000	0.000	0.000
217	A	1426	VAL	0	-0.008	-0.021	38.929	0.000	0.000	0.000	0.000	0.000	0.000
218	A	1427	PRO	0	0.039	0.019	40.149	0.002	0.002	0.000	0.000	0.000	0.000
219	A	1428	ASP	-1	-0.764	-0.889	38.374	0.131	0.131	0.000	0.000	0.000	0.000
220	A	1429	GLN	0	-0.050	-0.028	34.074	0.008	0.008	0.000	0.000	0.000	0.000
221	A	1430	ILE	0	-0.016	-0.007	34.640	0.010	0.010	0.000	0.000	0.000	0.000
222	A	1431	ILE	0	0.006	0.005	34.330	0.010	0.010	0.000	0.000	0.000	0.000
223	A	1432	ASN	0	0.033	-0.021	32.996	0.009	0.009	0.000	0.000	0.000	0.000
224	A	1433	PHE	0	0.022	0.014	26.829	0.015	0.015	0.000	0.000	0.000	0.000
225	A	1434	TYR	0	0.067	0.031	29.064	0.012	0.012	0.000	0.000	0.000	0.000
226	A	1435	LYS	1	0.838	0.938	30.159	-0.157	-0.157	0.000	0.000	0.000	0.000
227	A	1436	SER	0	-0.005	-0.001	26.224	0.008	0.008	0.000	0.000	0.000	0.000
228	A	1437	ASN	0	-0.031	-0.005	24.613	0.066	0.066	0.000	0.000	0.000	0.000
229	A	1438	TYR	0	0.011	-0.018	25.329	-0.019	-0.019	0.000	0.000	0.000	0.000
230	A	1439	VAL	0	-0.005	0.023	24.251	-0.019	-0.019	0.000	0.000	0.000	0.000
231	A	1440	GLN	0	0.013	-0.013	24.441	0.017	0.017	0.000	0.000	0.000	0.000
232	A	1441	ARG	1	0.914	0.965	25.363	-0.164	-0.164	0.000	0.000	0.000	0.000
233	A	1442	PHE	0	0.024	0.005	22.502	0.012	0.012	0.000	0.000	0.000	0.000
234	A	1443	HIS	0	0.044	0.017	26.229	-0.013	-0.013	0.000	0.000	0.000	0.000
235	A	1444	TYR	0	0.015	0.017	25.495	0.017	0.017	0.000	0.000	0.000	0.000
236	A	1445	SER	0	0.014	0.012	27.572	-0.019	-0.019	0.000	0.000	0.000	0.000
237	A	1446	ARG	1	0.958	0.993	28.880	-0.123	-0.123	0.000	0.000	0.000	0.000
238	A	1447	PRO	0	0.035	0.023	31.362	-0.007	-0.007	0.000	0.000	0.000	0.000
239	A	1448	VAL	0	-0.061	-0.035	34.193	0.000	0.000	0.000	0.000	0.000	0.000
240	A	1449	ARG	1	0.865	0.920	36.799	-0.092	-0.092	0.000	0.000	0.000	0.000
241	A	1450	ARG	1	0.825	0.912	38.269	-0.083	-0.083	0.000	0.000	0.000	0.000
242	A	1451	GLY	0	0.048	0.034	43.169	-0.004	-0.004	0.000	0.000	0.000	0.000
243	A	1452	THR	0	0.003	-0.010	45.401	0.003	0.003	0.000	0.000	0.000	0.000
244	A	1453	VAL	0	-0.011	-0.016	43.471	0.002	0.002	0.000	0.000	0.000	0.000
245	A	1454	ASP	-1	-0.814	-0.874	46.807	0.055	0.055	0.000	0.000	0.000	0.000
246	A	1455	PRO	0	-0.022	-0.015	46.909	0.003	0.003	0.000	0.000	0.000	0.000
247	A	1456	GLU	-1	-0.887	-0.943	47.086	0.061	0.061	0.000	0.000	0.000	0.000
248	A	1457	ASN	0	-0.077	-0.081	47.239	0.006	0.006	0.000	0.000	0.000	0.000
249	A	1458	GLU	-1	-0.761	-0.864	40.649	0.093	0.093	0.000	0.000	0.000	0.000
250	A	1459	PHE	0	0.010	0.004	40.503	0.001	0.001	0.000	0.000	0.000	0.000
251	A	1460	ALA	0	0.034	0.026	44.330	0.001	0.001	0.000	0.000	0.000	0.000
252	A	1461	SER	0	-0.076	-0.039	44.365	-0.001	-0.001	0.000	0.000	0.000	0.000
253	A	1462	MET	0	-0.066	-0.037	38.737	0.003	0.003	0.000	0.000	0.000	0.000
254	A	1463	TRP	0	0.043	0.019	39.553	-0.002	-0.002	0.000	0.000	0.000	0.000
255	A	1464	ILE	0	-0.008	-0.001	33.930	0.006	0.006	0.000	0.000	0.000	0.000
256	A	1465	GLU	-1	-0.778	-0.838	32.888	0.095	0.095	0.000	0.000	0.000	0.000
257	A	1466	ARG	1	0.793	0.836	31.575	-0.131	-0.131	0.000	0.000	0.000	0.000
258	A	1467	THR	0	-0.014	0.005	26.744	-0.007	-0.007	0.000	0.000	0.000	0.000
259	A	1468	SER	0	-0.008	-0.010	28.435	0.008	0.008	0.000	0.000	0.000	0.000
260	A	1469	PHE	0	0.025	-0.010	23.748	-0.005	-0.005	0.000	0.000	0.000	0.000
261	A	1470	VAL	0	0.000	0.000	25.277	0.001	0.001	0.000	0.000	0.000	0.000
262	A	1471	THR	0	0.020	0.000	19.998	-0.005	-0.005	0.000	0.000	0.000	0.000
263	A	1472	ALA	0	0.004	0.000	20.166	-0.021	-0.021	0.000	0.000	0.000	0.000
264	A	1473	TYR	0	-0.013	-0.003	19.459	-0.022	-0.022	0.000	0.000	0.000	0.000
265	A	1474	LYS	1	0.877	0.944	22.123	-0.178	-0.178	0.000	0.000	0.000	0.000
266	A	1475	LEU	0	-0.027	0.015	17.904	0.032	0.032	0.000	0.000	0.000	0.000
267	A	1476	PRO	0	-0.041	-0.037	20.017	-0.015	-0.015	0.000	0.000	0.000	0.000
268	A	1477	GLY	0	0.071	0.030	19.327	-0.040	-0.040	0.000	0.000	0.000	0.000
269	A	1478	ILE	0	0.034	0.011	15.705	0.042	0.042	0.000	0.000	0.000	0.000
270	A	1479	LEU	0	-0.030	-0.001	11.370	0.048	0.048	0.000	0.000	0.000	0.000
271	A	1480	ARG	1	0.821	0.916	12.398	-0.802	-0.802	0.000	0.000	0.000	0.000
272	A	1481	TRP	0	0.007	0.003	8.518	0.169	0.169	0.000	0.000	0.000	0.000
273	A	1482	PHE	0	-0.019	-0.006	14.465	-0.034	-0.034	0.000	0.000	0.000	0.000
274	A	1483	GLU	-1	-0.781	-0.866	16.683	0.222	0.222	0.000	0.000	0.000	0.000
275	A	1484	VAL	0	-0.041	-0.034	17.821	-0.017	-0.017	0.000	0.000	0.000	0.000
276	A	1485	VAL	0	-0.006	0.004	21.200	-0.017	-0.017	0.000	0.000	0.000	0.000
277	A	1486	HIS	0	-0.018	-0.007	23.730	-0.013	-0.013	0.000	0.000	0.000	0.000
278	A	1487	MET	0	0.005	-0.008	24.553	0.023	0.023	0.000	0.000	0.000	0.000
279	A	1488	SER	0	-0.026	-0.006	27.748	-0.017	-0.017	0.000	0.000	0.000	0.000
280	A	1489	GLN	0	-0.013	-0.021	30.362	0.016	0.016	0.000	0.000	0.000	0.000
281	A	1490	THR	0	-0.044	-0.021	32.764	-0.007	-0.007	0.000	0.000	0.000	0.000
282	A	1491	THR	0	-0.038	-0.030	35.562	0.005	0.005	0.000	0.000	0.000	0.000
283	A	1492	ILE	0	-0.035	-0.007	37.418	-0.002	-0.002	0.000	0.000	0.000	0.000
284	A	1493	SER	0	0.032	-0.030	39.776	0.000	0.000	0.000	0.000	0.000	0.000
285	A	1494	PRO	0	0.010	0.003	42.154	0.005	0.005	0.000	0.000	0.000	0.000
286	A	1495	LEU	0	0.037	0.036	43.615	0.003	0.003	0.000	0.000	0.000	0.000
287	A	1496	GLU	-1	-0.766	-0.852	41.859	0.087	0.087	0.000	0.000	0.000	0.000
288	A	1497	ASN	0	-0.012	-0.011	38.101	0.004	0.004	0.000	0.000	0.000	0.000
289	A	1498	ALA	0	0.006	0.020	40.746	0.005	0.005	0.000	0.000	0.000	0.000
290	A	1499	ILE	0	0.033	0.020	43.572	0.002	0.002	0.000	0.000	0.000	0.000
291	A	1500	GLU	-1	-0.775	-0.836	37.560	0.130	0.130	0.000	0.000	0.000	0.000
292	A	1501	THR	0	-0.057	-0.024	39.663	0.007	0.007	0.000	0.000	0.000	0.000
293	A	1502	MET	0	-0.004	0.000	40.657	0.003	0.003	0.000	0.000	0.000	0.000
294	A	1503	SER	0	-0.020	-0.020	41.254	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	1504	THR	0	-0.031	-0.029	36.532	0.005	0.005	0.000	0.000	0.000	0.000
296	A	1505	ALA	0	-0.051	-0.023	39.435	0.004	0.004	0.000	0.000	0.000	0.000
297	A	1506	ASN	0	0.039	0.012	41.760	0.000	0.000	0.000	0.000	0.000	0.000
298	A	1507	GLU	-1	-0.877	-0.955	37.738	0.139	0.139	0.000	0.000	0.000	0.000
299	A	1508	LYS	1	0.916	0.966	35.049	-0.149	-0.149	0.000	0.000	0.000	0.000
300	A	1509	ILE	0	0.003	0.007	40.016	0.000	0.000	0.000	0.000	0.000	0.000
301	A	1510	LEU	0	0.000	0.010	43.446	-0.002	-0.002	0.000	0.000	0.000	0.000
302	A	1511	MET	0	-0.022	0.006	37.382	0.004	0.004	0.000	0.000	0.000	0.000
303	A	1512	MET	0	0.017	0.038	39.333	-0.002	-0.002	0.000	0.000	0.000	0.000
304	A	1513	ILE	0	0.007	-0.004	42.086	-0.003	-0.003	0.000	0.000	0.000	0.000
305	A	1514	ASN	0	-0.069	-0.042	42.920	-0.008	-0.008	0.000	0.000	0.000	0.000
306	A	1515	GLN	0	-0.036	-0.025	37.500	-0.002	-0.002	0.000	0.000	0.000	0.000
307	A	1516	TYR	0	-0.027	-0.051	41.069	0.000	0.000	0.000	0.000	0.000	0.000
308	A	1517	GLN	0	-0.015	-0.007	44.946	-0.008	-0.008	0.000	0.000	0.000	0.000
309	A	1518	SER	0	-0.050	-0.014	43.555	-0.002	-0.002	0.000	0.000	0.000	0.000
310	A	1519	ASP	-1	-0.815	-0.914	42.795	0.107	0.107	0.000	0.000	0.000	0.000
311	A	1520	GLU	-1	-0.795	-0.892	45.122	0.079	0.079	0.000	0.000	0.000	0.000
312	A	1521	THR	0	-0.038	-0.015	42.148	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	1522	LEU	0	-0.054	-0.013	39.607	0.003	0.003	0.000	0.000	0.000	0.000
314	A	1523	PRO	0	0.040	0.017	39.999	-0.005	-0.005	0.000	0.000	0.000	0.000
315	A	1524	ILE	0	0.063	0.042	42.405	0.005	0.005	0.000	0.000	0.000	0.000
316	A	1525	ASN	0	0.011	0.015	41.169	0.000	0.000	0.000	0.000	0.000	0.000
317	A	1526	PRO	0	0.009	-0.003	38.316	0.000	0.000	0.000	0.000	0.000	0.000
318	A	1527	LEU	0	0.038	0.021	40.320	0.000	0.000	0.000	0.000	0.000	0.000
319	A	1528	SER	0	-0.032	-0.045	43.559	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	1529	MET	0	-0.043	-0.021	36.960	-0.002	-0.002	0.000	0.000	0.000	0.000
321	A	1530	LEU	0	-0.031	-0.013	40.195	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	1531	LEU	0	0.009	0.011	42.513	-0.002	-0.002	0.000	0.000	0.000	0.000
323	A	1532	ASN	0	0.047	0.012	46.043	-0.005	-0.005	0.000	0.000	0.000	0.000
324	A	1533	GLY	0	-0.043	-0.018	43.357	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	1534	ILE	0	-0.047	-0.023	42.751	0.001	0.001	0.000	0.000	0.000	0.000
326	A	1535	VAL	0	-0.032	-0.014	46.362	-0.004	-0.004	0.000	0.000	0.000	0.000
327	A	1536	ASP	-1	-0.805	-0.884	48.803	0.064	0.064	0.000	0.000	0.000	0.000
328	A	1537	PRO	0	-0.007	0.021	46.535	0.001	0.001	0.000	0.000	0.000	0.000
329	A	1538	ALA	0	-0.030	-0.032	47.444	0.000	0.000	0.000	0.000	0.000	0.000
330	A	1539	VAL	0	-0.021	-0.005	43.015	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	1540	MET	0	-0.006	-0.005	40.294	-0.002	-0.002	0.000	0.000	0.000	0.000
332	A	1541	GLY	0	0.024	0.016	44.221	0.001	0.001	0.000	0.000	0.000	0.000
333	A	1542	GLY	0	0.020	-0.001	46.648	-0.003	-0.003	0.000	0.000	0.000	0.000
334	A	1543	PHE	0	0.016	-0.004	48.005	0.000	0.000	0.000	0.000	0.000	0.000
335	A	1544	ALA	0	0.060	0.038	48.895	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	1545	LYS	1	0.870	0.947	46.321	-0.074	-0.074	0.000	0.000	0.000	0.000
337	A	1546	TYR	0	0.045	0.011	42.610	0.000	0.000	0.000	0.000	0.000	0.000
338	A	1547	GLU	-1	-0.842	-0.882	49.202	0.060	0.060	0.000	0.000	0.000	0.000
339	A	1548	LYS	1	0.859	0.914	52.109	-0.058	-0.058	0.000	0.000	0.000	0.000
340	A	1549	ALA	0	-0.080	-0.035	49.022	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	1550	PHE	0	0.005	-0.008	46.084	0.000	0.000	0.000	0.000	0.000	0.000
342	A	1551	PHE	0	-0.001	0.001	52.221	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	1552	THR	0	0.023	0.024	55.568	-0.002	-0.002	0.000	0.000	0.000	0.000
344	A	1553	GLU	-1	-0.910	-0.967	57.576	0.041	0.041	0.000	0.000	0.000	0.000
345	A	1554	GLU	-1	-0.912	-0.949	56.711	0.044	0.044	0.000	0.000	0.000	0.000
346	A	1555	TYR	0	-0.030	-0.020	49.279	0.001	0.001	0.000	0.000	0.000	0.000
347	A	1556	VAL	0	0.036	0.013	54.835	0.001	0.001	0.000	0.000	0.000	0.000
348	A	1557	ARG	1	0.799	0.881	57.089	-0.043	-0.043	0.000	0.000	0.000	0.000
349	A	1558	ASP	-1	-0.893	-0.934	54.914	0.045	0.045	0.000	0.000	0.000	0.000
350	A	1559	HIS	1	0.792	0.907	51.519	-0.055	-0.055	0.000	0.000	0.000	0.000
351	A	1560	PRO	0	0.051	0.026	54.329	0.002	0.002	0.000	0.000	0.000	0.000
352	A	1561	GLU	-1	-0.891	-0.955	51.210	0.055	0.055	0.000	0.000	0.000	0.000
353	A	1562	ASP	-1	-0.792	-0.890	49.133	0.071	0.071	0.000	0.000	0.000	0.000
354	A	1563	GLN	0	-0.082	-0.048	51.915	0.001	0.001	0.000	0.000	0.000	0.000
355	A	1564	ASP	-1	-0.900	-0.938	51.330	0.066	0.066	0.000	0.000	0.000	0.000
356	A	1565	LYS	1	0.862	0.915	46.165	-0.072	-0.072	0.000	0.000	0.000	0.000
357	A	1566	LEU	0	-0.010	0.002	50.240	0.002	0.002	0.000	0.000	0.000	0.000
358	A	1567	THR	0	0.001	-0.013	52.601	0.000	0.000	0.000	0.000	0.000	0.000
359	A	1568	HIS	0	0.037	0.026	45.568	-0.001	-0.001	0.000	0.000	0.000	0.000
360	A	1569	LEU	0	-0.004	-0.003	47.682	0.002	0.002	0.000	0.000	0.000	0.000
361	A	1570	LYS	1	0.814	0.894	49.912	-0.056	-0.056	0.000	0.000	0.000	0.000
362	A	1571	ASP	-1	-0.810	-0.893	52.270	0.064	0.064	0.000	0.000	0.000	0.000
363	A	1572	LEU	0	-0.052	-0.029	45.744	0.002	0.002	0.000	0.000	0.000	0.000
364	A	1573	ILE	0	0.009	0.008	49.394	0.003	0.003	0.000	0.000	0.000	0.000
365	A	1574	ALA	0	0.005	-0.004	51.227	0.000	0.000	0.000	0.000	0.000	0.000
366	A	1575	TRP	0	-0.056	-0.025	47.700	-0.002	-0.002	0.000	0.000	0.000	0.000
367	A	1576	GLN	0	0.000	-0.005	45.892	0.000	0.000	0.000	0.000	0.000	0.000
368	A	1577	ILE	0	-0.009	0.003	49.746	0.001	0.001	0.000	0.000	0.000	0.000
369	A	1578	PRO	0	0.005	-0.007	52.852	0.000	0.000	0.000	0.000	0.000	0.000
370	A	1579	PHE	0	-0.004	0.010	45.863	0.001	0.001	0.000	0.000	0.000	0.000
371	A	1580	LEU	0	0.016	0.010	47.201	0.002	0.002	0.000	0.000	0.000	0.000
372	A	1581	GLY	0	0.007	0.006	50.008	0.000	0.000	0.000	0.000	0.000	0.000
373	A	1582	ALA	0	-0.024	-0.019	50.489	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	1583	GLY	0	0.061	0.025	48.460	0.001	0.001	0.000	0.000	0.000	0.000
375	A	1584	ILE	0	0.022	0.000	49.257	0.000	0.000	0.000	0.000	0.000	0.000
376	A	1585	LYS	1	0.842	0.927	51.794	-0.077	-0.077	0.000	0.000	0.000	0.000
377	A	1586	ILE	0	-0.050	-0.022	48.000	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	1587	HIS	0	-0.001	0.001	47.359	0.003	0.003	0.000	0.000	0.000	0.000
379	A	1588	GLU	-1	-0.868	-0.917	50.366	0.061	0.061	0.000	0.000	0.000	0.000
380	A	1589	LYS	1	0.861	0.913	51.784	-0.075	-0.075	0.000	0.000	0.000	0.000
381	A	1590	ARG	1	0.727	0.867	45.430	-0.091	-0.091	0.000	0.000	0.000	0.000
382	A	1591	VAL	0	-0.036	0.008	49.923	0.003	0.003	0.000	0.000	0.000	0.000
383	A	1592	SER	0	0.016	0.002	49.938	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	1593	ASP	-1	-0.831	-0.935	51.821	0.060	0.060	0.000	0.000	0.000	0.000
385	A	1594	ASN	0	-0.056	-0.022	49.318	-0.001	-0.001	0.000	0.000	0.000	0.000
386	A	1595	LEU	0	-0.034	-0.017	47.332	0.000	0.000	0.000	0.000	0.000	0.000
387	A	1596	ARG	1	0.847	0.915	51.881	-0.058	-0.058	0.000	0.000	0.000	0.000
388	A	1597	PRO	0	0.039	0.010	54.958	0.000	0.000	0.000	0.000	0.000	0.000
389	A	1598	PHE	0	-0.039	-0.014	47.142	0.000	0.000	0.000	0.000	0.000	0.000
390	A	1599	HIS	0	0.004	0.011	52.601	0.004	0.004	0.000	0.000	0.000	0.000
391	A	1600	ASP	-1	-0.833	-0.921	53.409	0.057	0.057	0.000	0.000	0.000	0.000
392	A	1601	ARG	1	0.831	0.905	53.545	-0.063	-0.063	0.000	0.000	0.000	0.000
393	A	1602	MET	0	0.005	0.002	48.404	0.001	0.001	0.000	0.000	0.000	0.000
394	A	1603	GLU	-1	-0.796	-0.878	53.356	0.062	0.062	0.000	0.000	0.000	0.000
395	A	1604	GLU	-1	-0.901	-0.943	56.431	0.053	0.053	0.000	0.000	0.000	0.000
396	A	1605	CYS	0	-0.068	-0.040	53.814	-0.003	-0.003	0.000	0.000	0.000	0.000
397	A	1606	PHE	0	0.027	0.028	53.490	-0.001	-0.001	0.000	0.000	0.000	0.000
398	A	1607	LYS	1	0.831	0.892	55.345	-0.060	-0.060	0.000	0.000	0.000	0.000
399	A	1608	ASN	0	-0.043	-0.028	58.057	-0.003	-0.003	0.000	0.000	0.000	0.000
400	A	1609	LEU	0	0.014	0.013	51.857	-0.001	-0.001	0.000	0.000	0.000	0.000
401	A	1610	LYS	1	0.840	0.901	56.449	-0.059	-0.059	0.000	0.000	0.000	0.000
402	A	1611	MET	0	-0.035	-0.013	57.994	-0.002	-0.002	0.000	0.000	0.000	0.000
403	A	1612	LYS	1	0.859	0.929	58.608	-0.055	-0.055	0.000	0.000	0.000	0.000
404	A	1613	VAL	0	0.047	0.025	54.546	-0.001	-0.001	0.000	0.000	0.000	0.000
405	A	1614	GLU	-1	-0.792	-0.894	57.832	0.057	0.057	0.000	0.000	0.000	0.000
406	A	1615	LYS	1	0.874	0.942	60.147	-0.046	-0.046	0.000	0.000	0.000	0.000
407	A	1616	GLU	-1	-0.843	-0.903	58.557	0.050	0.050	0.000	0.000	0.000	0.000
408	A	1617	TYR	0	-0.055	-0.054	54.400	0.001	0.001	0.000	0.000	0.000	0.000
409	A	1618	GLY	0	0.039	0.040	58.488	0.001	0.001	0.000	0.000	0.000	0.000
410	A	1619	VAL	0	-0.010	-0.007	58.536	0.002	0.002	0.000	0.000	0.000	0.000
411	A	1620	ARG	1	0.779	0.867	54.417	-0.062	-0.062	0.000	0.000	0.000	0.000

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