FMO DATABASE

FMODB ID: K92N3

Calculation Name: 4O2X-A-Xray372

Preferred Name: Maltose/maltodextrin-binding periplasmic protein

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 4O2X

Chain ID: A

ChEMBL ID: CHEMBL4295571

UniProt ID: P0AEX9

Base Structure: X-ray

Registration Date: 2023-06-22

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	457
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-8243476.13702
FMO2-HF: Nuclear repulsion	8069724.967975
FMO2-HF: Total energy	-173751.169045
FMO2-MP2: Total energy	-174267.384298

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:5:GLU)

Summations of interaction energy for fragment #1(A:5:GLU)

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.
37.484	34.562	12.534	0.788	-10.398	0.068

Interaction energy analysis for fragmet #1(A:5:GLU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -1 / q_Mulliken : -0.949 / q_NPA : -0.973

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	7	LYS	1	0.835	0.907	2.278	-51.928	-57.432	2.123	6.923	-3.541	-0.002
4	A	8	LEU	0	0.020	0.020	3.844	0.825	0.896	-0.002	0.028	-0.097	0.000
5	A	9	VAL	0	-0.032	-0.007	4.235	-3.852	-3.612	0.000	-0.034	-0.205	0.000
6	A	10	ILE	0	0.022	0.013	6.973	-1.254	-1.254	0.000	0.000	0.000	0.000
7	A	11	TRP	0	-0.028	-0.023	10.162	-2.410	-2.410	0.000	0.000	0.000	0.000
8	A	12	ILE	0	0.030	0.010	13.126	-0.839	-0.839	0.000	0.000	0.000	0.000
9	A	13	ASN	0	0.006	-0.022	16.850	0.130	0.130	0.000	0.000	0.000	0.000
10	A	14	GLY	0	-0.005	-0.007	20.137	-0.048	-0.048	0.000	0.000	0.000	0.000
11	A	15	ASP	-1	-0.804	-0.897	21.951	12.501	12.501	0.000	0.000	0.000	0.000
12	A	16	LYS	1	0.837	0.932	21.368	-13.222	-13.222	0.000	0.000	0.000	0.000
13	A	17	GLY	0	0.074	0.059	22.317	0.262	0.262	0.000	0.000	0.000	0.000
14	A	18	TYR	0	0.018	-0.019	17.852	0.695	0.695	0.000	0.000	0.000	0.000
15	A	19	ASN	0	0.009	-0.002	18.189	1.609	1.609	0.000	0.000	0.000	0.000
16	A	20	GLY	0	0.024	0.013	20.275	0.190	0.190	0.000	0.000	0.000	0.000
17	A	21	LEU	0	-0.022	-0.014	15.683	0.234	0.234	0.000	0.000	0.000	0.000
18	A	22	ALA	0	0.001	-0.004	15.704	1.057	1.057	0.000	0.000	0.000	0.000
19	A	23	GLU	-1	-0.804	-0.874	16.464	15.402	15.402	0.000	0.000	0.000	0.000
20	A	24	VAL	0	-0.021	0.003	16.896	0.003	0.003	0.000	0.000	0.000	0.000
21	A	25	GLY	0	-0.004	-0.011	13.823	0.462	0.462	0.000	0.000	0.000	0.000
22	A	26	LYS	1	0.810	0.874	13.926	-14.416	-14.416	0.000	0.000	0.000	0.000
23	A	27	LYS	1	0.799	0.885	16.103	-15.131	-15.131	0.000	0.000	0.000	0.000
24	A	28	PHE	0	0.062	0.026	9.439	-0.178	-0.178	0.000	0.000	0.000	0.000
25	A	29	GLU	-1	-0.779	-0.848	11.599	23.617	23.617	0.000	0.000	0.000	0.000
26	A	30	LYS	1	0.887	0.940	13.036	-14.216	-14.216	0.000	0.000	0.000	0.000
27	A	31	ASP	-1	-0.812	-0.872	16.368	14.852	14.852	0.000	0.000	0.000	0.000
28	A	32	THR	0	0.000	-0.008	12.091	0.236	0.236	0.000	0.000	0.000	0.000
29	A	33	GLY	0	-0.036	-0.009	11.335	0.499	0.499	0.000	0.000	0.000	0.000
30	A	34	ILE	0	-0.025	-0.012	6.490	2.219	2.219	0.000	0.000	0.000	0.000
31	A	35	LYS	1	0.792	0.872	7.796	-25.435	-25.435	0.000	0.000	0.000	0.000
32	A	36	VAL	0	0.003	0.017	7.016	4.492	4.492	0.000	0.000	0.000	0.000
33	A	37	THR	0	-0.083	-0.040	8.352	-0.836	-0.836	0.000	0.000	0.000	0.000
34	A	38	VAL	0	0.015	0.013	10.017	1.561	1.561	0.000	0.000	0.000	0.000
35	A	39	GLU	-1	-0.850	-0.911	9.365	31.551	31.551	0.000	0.000	0.000	0.000
36	A	40	HIS	1	0.905	0.949	13.657	-17.004	-17.004	0.000	0.000	0.000	0.000
37	A	41	PRO	0	-0.008	0.009	13.820	-1.408	-1.408	0.000	0.000	0.000	0.000
38	A	42	ASP	-1	-0.824	-0.927	16.863	15.549	15.549	0.000	0.000	0.000	0.000
39	A	43	LYS	1	0.770	0.860	19.546	-13.425	-13.425	0.000	0.000	0.000	0.000
40	A	44	LEU	0	0.043	0.034	15.924	0.184	0.184	0.000	0.000	0.000	0.000
41	A	45	GLU	-1	-0.770	-0.868	16.804	15.302	15.302	0.000	0.000	0.000	0.000
42	A	46	GLU	-1	-0.898	-0.925	19.159	14.699	14.699	0.000	0.000	0.000	0.000
43	A	47	LYS	1	0.878	0.924	15.668	-17.385	-17.385	0.000	0.000	0.000	0.000
44	A	48	PHE	0	0.053	0.033	10.500	0.872	0.872	0.000	0.000	0.000	0.000
45	A	49	PRO	0	0.004	-0.009	13.940	1.101	1.101	0.000	0.000	0.000	0.000
46	A	50	GLN	0	-0.128	-0.077	15.958	0.478	0.478	0.000	0.000	0.000	0.000
47	A	51	VAL	0	-0.003	0.014	11.249	-0.276	-0.276	0.000	0.000	0.000	0.000
48	A	52	ALA	0	-0.011	0.003	10.786	2.024	2.024	0.000	0.000	0.000	0.000
49	A	53	ALA	0	-0.039	-0.017	11.873	0.033	0.033	0.000	0.000	0.000	0.000
50	A	54	THR	0	-0.085	-0.060	11.769	-1.514	-1.514	0.000	0.000	0.000	0.000
51	A	55	GLY	0	0.007	0.005	9.155	0.281	0.281	0.000	0.000	0.000	0.000
52	A	56	ASP	-1	-0.882	-0.917	6.597	35.173	35.173	0.000	0.000	0.000	0.000
53	A	57	GLY	0	0.004	-0.002	7.682	-2.941	-2.941	0.000	0.000	0.000	0.000
54	A	58	PRO	0	-0.048	-0.025	6.282	6.952	6.952	0.000	0.000	0.000	0.000
55	A	59	ASP	-1	-0.729	-0.826	4.279	67.557	67.751	0.000	-0.023	-0.170	0.000
56	A	60	ILE	0	-0.026	-0.010	6.714	-4.785	-4.785	0.000	0.000	0.000	0.000
57	A	61	ILE	0	-0.008	0.006	10.469	0.076	0.076	0.000	0.000	0.000	0.000
58	A	62	PHE	0	0.027	0.003	13.434	-1.381	-1.381	0.000	0.000	0.000	0.000
59	A	63	TRP	0	-0.016	-0.031	16.828	-0.003	-0.003	0.000	0.000	0.000	0.000
60	A	64	ALA	0	0.008	0.009	19.866	-0.582	-0.582	0.000	0.000	0.000	0.000
61	A	65	HIS	0	0.009	0.004	21.990	0.619	0.619	0.000	0.000	0.000	0.000
62	A	66	ASP	-1	-0.823	-0.892	23.248	12.279	12.279	0.000	0.000	0.000	0.000
63	A	67	ARG	1	0.789	0.859	22.157	-12.302	-12.302	0.000	0.000	0.000	0.000
64	A	68	PHE	0	0.033	0.012	17.406	0.350	0.350	0.000	0.000	0.000	0.000
65	A	69	GLY	0	0.063	0.037	20.546	0.352	0.352	0.000	0.000	0.000	0.000
66	A	70	GLY	0	-0.047	-0.025	23.007	-0.159	-0.159	0.000	0.000	0.000	0.000
67	A	71	TYR	0	0.006	-0.013	16.979	0.216	0.216	0.000	0.000	0.000	0.000
68	A	72	ALA	0	0.016	0.016	18.544	0.506	0.506	0.000	0.000	0.000	0.000
69	A	73	GLN	0	-0.055	-0.021	20.169	-0.401	-0.401	0.000	0.000	0.000	0.000
70	A	74	SER	0	-0.058	-0.024	18.860	-0.501	-0.501	0.000	0.000	0.000	0.000
71	A	75	GLY	0	-0.028	-0.007	17.796	0.477	0.477	0.000	0.000	0.000	0.000
72	A	76	LEU	0	0.006	0.005	13.935	0.812	0.812	0.000	0.000	0.000	0.000
73	A	77	LEU	0	-0.043	-0.014	12.944	1.836	1.836	0.000	0.000	0.000	0.000
74	A	78	ALA	0	-0.014	-0.012	12.258	-1.085	-1.085	0.000	0.000	0.000	0.000
75	A	79	GLU	-1	-0.833	-0.892	14.227	13.984	13.984	0.000	0.000	0.000	0.000
76	A	80	ILE	0	-0.043	-0.005	15.226	0.848	0.848	0.000	0.000	0.000	0.000
77	A	81	THR	0	-0.010	-0.012	16.705	-0.957	-0.957	0.000	0.000	0.000	0.000
78	A	82	PRO	0	0.033	0.039	19.060	-0.102	-0.102	0.000	0.000	0.000	0.000
79	A	83	ASP	-1	-0.805	-0.903	21.272	11.710	11.710	0.000	0.000	0.000	0.000
80	A	84	LYS	1	0.796	0.881	24.636	-10.095	-10.095	0.000	0.000	0.000	0.000
81	A	85	ALA	0	-0.003	-0.013	27.632	-0.210	-0.210	0.000	0.000	0.000	0.000
82	A	86	PHE	0	0.003	-0.002	21.662	-0.067	-0.067	0.000	0.000	0.000	0.000
83	A	87	GLN	0	-0.051	-0.033	24.207	-0.287	-0.287	0.000	0.000	0.000	0.000
84	A	88	ASP	-1	-0.790	-0.873	26.612	9.890	9.890	0.000	0.000	0.000	0.000
85	A	89	LYS	1	0.910	0.981	23.781	-13.489	-13.489	0.000	0.000	0.000	0.000
86	A	90	LEU	0	0.013	0.012	23.390	-0.040	-0.040	0.000	0.000	0.000	0.000
87	A	91	TYR	0	0.021	0.012	28.153	-0.498	-0.498	0.000	0.000	0.000	0.000
88	A	92	PRO	0	-0.011	-0.001	29.520	0.291	0.291	0.000	0.000	0.000	0.000
89	A	93	PHE	0	0.048	0.019	29.664	0.319	0.319	0.000	0.000	0.000	0.000
90	A	94	THR	0	-0.024	-0.029	26.705	0.317	0.317	0.000	0.000	0.000	0.000
91	A	95	TRP	0	0.023	-0.016	21.404	0.734	0.734	0.000	0.000	0.000	0.000
92	A	96	ASP	-1	-0.874	-0.926	25.780	10.766	10.766	0.000	0.000	0.000	0.000
93	A	97	ALA	0	0.011	0.011	26.388	0.010	0.010	0.000	0.000	0.000	0.000
94	A	98	VAL	0	-0.045	-0.007	21.532	0.220	0.220	0.000	0.000	0.000	0.000
95	A	99	ARG	1	0.884	0.941	22.645	-10.846	-10.846	0.000	0.000	0.000	0.000
96	A	100	TYR	0	0.001	-0.029	23.337	-0.433	-0.433	0.000	0.000	0.000	0.000
97	A	101	ASN	0	-0.022	-0.007	24.637	0.060	0.060	0.000	0.000	0.000	0.000
98	A	102	GLY	0	0.005	0.005	26.758	0.005	0.005	0.000	0.000	0.000	0.000
99	A	103	LYS	1	0.790	0.889	21.871	-13.790	-13.790	0.000	0.000	0.000	0.000
100	A	104	LEU	0	0.015	0.012	21.212	-0.266	-0.266	0.000	0.000	0.000	0.000
101	A	105	ILE	0	-0.013	-0.009	17.682	0.535	0.535	0.000	0.000	0.000	0.000
102	A	106	ALA	0	-0.002	-0.014	17.054	1.133	1.133	0.000	0.000	0.000	0.000
103	A	107	TYR	0	-0.007	-0.036	15.606	-0.663	-0.663	0.000	0.000	0.000	0.000
104	A	108	PRO	0	-0.023	-0.003	19.390	0.343	0.343	0.000	0.000	0.000	0.000
105	A	109	ILE	0	-0.016	-0.006	18.582	0.160	0.160	0.000	0.000	0.000	0.000
106	A	110	ALA	0	0.011	-0.002	22.678	-0.472	-0.472	0.000	0.000	0.000	0.000
107	A	111	VAL	0	-0.036	-0.025	25.768	0.185	0.185	0.000	0.000	0.000	0.000
108	A	112	GLU	-1	-0.888	-0.947	27.515	11.387	11.387	0.000	0.000	0.000	0.000
109	A	113	ALA	0	0.004	-0.009	30.787	0.035	0.035	0.000	0.000	0.000	0.000
110	A	114	LEU	0	-0.040	0.002	34.060	-0.103	-0.103	0.000	0.000	0.000	0.000
111	A	115	SER	0	0.030	0.009	37.309	-0.072	-0.072	0.000	0.000	0.000	0.000
112	A	116	LEU	0	-0.032	-0.003	40.175	-0.021	-0.021	0.000	0.000	0.000	0.000
113	A	117	ILE	0	-0.025	-0.004	39.553	0.020	0.020	0.000	0.000	0.000	0.000
114	A	118	TYR	0	-0.017	-0.013	44.087	-0.051	-0.051	0.000	0.000	0.000	0.000
115	A	119	ASN	0	0.057	0.021	47.625	0.047	0.047	0.000	0.000	0.000	0.000
116	A	120	LYS	1	0.863	0.913	47.215	-7.001	-7.001	0.000	0.000	0.000	0.000
117	A	121	ASP	-1	-0.830	-0.905	51.953	6.178	6.178	0.000	0.000	0.000	0.000
118	A	122	LEU	0	-0.080	-0.027	53.243	-0.136	-0.136	0.000	0.000	0.000	0.000
119	A	123	LEU	0	-0.042	-0.020	52.039	-0.117	-0.117	0.000	0.000	0.000	0.000
120	A	124	PRO	0	0.027	0.016	53.019	0.125	0.125	0.000	0.000	0.000	0.000
121	A	125	ASN	0	-0.039	-0.025	53.157	0.153	0.153	0.000	0.000	0.000	0.000
122	A	126	PRO	0	-0.003	0.010	49.072	-0.071	-0.071	0.000	0.000	0.000	0.000
123	A	127	PRO	0	0.011	0.010	51.093	-0.027	-0.027	0.000	0.000	0.000	0.000
124	A	128	LYS	1	0.938	0.957	48.505	-6.480	-6.480	0.000	0.000	0.000	0.000
125	A	129	THR	0	-0.093	-0.024	51.329	0.040	0.040	0.000	0.000	0.000	0.000
126	A	130	TRP	0	0.048	-0.011	45.672	-0.023	-0.023	0.000	0.000	0.000	0.000
127	A	131	GLU	-1	-0.789	-0.915	52.110	5.995	5.995	0.000	0.000	0.000	0.000
128	A	132	GLU	-1	-0.819	-0.880	54.902	5.823	5.823	0.000	0.000	0.000	0.000
129	A	133	ILE	0	-0.003	0.001	50.792	-0.064	-0.064	0.000	0.000	0.000	0.000
130	A	134	PRO	0	0.007	0.001	55.194	-0.038	-0.038	0.000	0.000	0.000	0.000
131	A	135	ALA	0	-0.039	-0.011	57.961	-0.084	-0.084	0.000	0.000	0.000	0.000
132	A	136	LEU	0	0.037	0.017	54.138	-0.065	-0.065	0.000	0.000	0.000	0.000
133	A	137	ASP	-1	-0.717	-0.847	56.085	5.757	5.757	0.000	0.000	0.000	0.000
134	A	138	LYS	1	0.947	0.975	57.786	-5.014	-5.014	0.000	0.000	0.000	0.000
135	A	139	GLU	-1	-0.839	-0.905	60.869	5.266	5.266	0.000	0.000	0.000	0.000
136	A	140	LEU	0	0.027	0.005	55.560	-0.040	-0.040	0.000	0.000	0.000	0.000
137	A	141	LYS	1	0.746	0.879	56.538	-5.731	-5.731	0.000	0.000	0.000	0.000
138	A	142	ALA	0	-0.052	-0.026	60.788	-0.050	-0.050	0.000	0.000	0.000	0.000
139	A	143	LYS	1	0.768	0.885	60.513	-5.459	-5.459	0.000	0.000	0.000	0.000
140	A	144	GLY	0	0.048	0.044	60.957	0.070	0.070	0.000	0.000	0.000	0.000
141	A	145	LYS	1	0.834	0.902	55.868	-5.641	-5.641	0.000	0.000	0.000	0.000
142	A	146	SER	0	0.071	0.028	53.011	-0.056	-0.056	0.000	0.000	0.000	0.000
143	A	147	ALA	0	-0.005	-0.002	53.779	0.057	0.057	0.000	0.000	0.000	0.000
144	A	148	LEU	0	-0.032	-0.014	47.060	0.104	0.104	0.000	0.000	0.000	0.000
145	A	149	MET	0	-0.008	0.009	47.763	-0.046	-0.046	0.000	0.000	0.000	0.000
146	A	150	PHE	0	0.052	0.013	42.937	0.121	0.121	0.000	0.000	0.000	0.000
147	A	151	ASN	0	0.031	0.010	38.470	-0.256	-0.256	0.000	0.000	0.000	0.000
148	A	152	LEU	0	0.020	0.002	41.990	0.121	0.121	0.000	0.000	0.000	0.000
149	A	153	GLN	0	-0.054	-0.034	41.492	-0.009	-0.009	0.000	0.000	0.000	0.000
150	A	154	GLU	-1	-0.825	-0.901	36.836	8.942	8.942	0.000	0.000	0.000	0.000
151	A	155	PRO	0	-0.010	0.005	37.601	-0.073	-0.073	0.000	0.000	0.000	0.000
152	A	156	TYR	0	-0.032	-0.016	32.851	-0.116	-0.116	0.000	0.000	0.000	0.000
153	A	157	PHE	0	0.039	0.002	35.872	0.017	0.017	0.000	0.000	0.000	0.000
154	A	158	THR	0	-0.023	-0.008	39.602	-0.178	-0.178	0.000	0.000	0.000	0.000
155	A	159	TRP	0	-0.030	-0.026	38.645	-0.277	-0.277	0.000	0.000	0.000	0.000
156	A	160	PRO	0	0.004	0.011	39.809	-0.101	-0.101	0.000	0.000	0.000	0.000
157	A	161	LEU	0	0.023	0.029	42.058	-0.086	-0.086	0.000	0.000	0.000	0.000
158	A	162	ILE	0	-0.067	-0.026	43.467	-0.115	-0.115	0.000	0.000	0.000	0.000
159	A	163	ALA	0	0.055	0.008	41.597	-0.109	-0.109	0.000	0.000	0.000	0.000
160	A	164	ALA	0	-0.009	0.016	43.603	-0.021	-0.021	0.000	0.000	0.000	0.000
161	A	165	ASP	-1	-0.831	-0.913	45.850	6.206	6.206	0.000	0.000	0.000	0.000
162	A	166	GLY	0	0.028	0.011	46.453	-0.126	-0.126	0.000	0.000	0.000	0.000
163	A	167	GLY	0	-0.020	0.025	44.361	0.073	0.073	0.000	0.000	0.000	0.000
164	A	168	TYR	0	-0.037	-0.049	39.826	0.044	0.044	0.000	0.000	0.000	0.000
165	A	169	ALA	0	-0.035	-0.014	36.273	-0.082	-0.082	0.000	0.000	0.000	0.000
166	A	170	PHE	0	-0.032	-0.036	34.272	-0.031	-0.031	0.000	0.000	0.000	0.000
167	A	171	LYS	1	0.821	0.905	36.917	-7.616	-7.616	0.000	0.000	0.000	0.000
168	A	172	TYR	0	0.023	0.001	30.999	0.342	0.342	0.000	0.000	0.000	0.000
169	A	173	GLU	-1	-0.809	-0.886	35.743	7.903	7.903	0.000	0.000	0.000	0.000
170	A	174	ASN	0	-0.027	-0.008	33.988	0.005	0.005	0.000	0.000	0.000	0.000
171	A	175	GLY	0	-0.009	0.000	29.743	0.051	0.051	0.000	0.000	0.000	0.000
172	A	176	LYS	1	0.851	0.906	28.466	-10.417	-10.417	0.000	0.000	0.000	0.000
173	A	177	TYR	0	0.040	0.019	29.841	-0.125	-0.125	0.000	0.000	0.000	0.000
174	A	178	ASP	-1	-0.809	-0.902	33.556	8.340	8.340	0.000	0.000	0.000	0.000
175	A	179	ILE	0	-0.028	-0.017	33.553	-0.096	-0.096	0.000	0.000	0.000	0.000
176	A	180	LYS	1	0.757	0.868	36.557	-8.289	-8.289	0.000	0.000	0.000	0.000
177	A	181	ASP	-1	-0.748	-0.838	40.332	7.351	7.351	0.000	0.000	0.000	0.000
178	A	182	VAL	0	0.002	0.009	39.137	0.172	0.172	0.000	0.000	0.000	0.000
179	A	183	GLY	0	0.040	0.019	41.289	-0.229	-0.229	0.000	0.000	0.000	0.000
180	A	184	VAL	0	-0.043	-0.042	41.321	-0.073	-0.073	0.000	0.000	0.000	0.000
181	A	185	ASP	-1	-0.799	-0.915	44.026	6.373	6.373	0.000	0.000	0.000	0.000
182	A	186	ASN	0	-0.034	-0.017	45.683	-0.245	-0.245	0.000	0.000	0.000	0.000
183	A	187	ALA	0	0.040	-0.004	48.924	-0.001	-0.001	0.000	0.000	0.000	0.000
184	A	188	GLY	0	0.041	0.037	48.943	-0.079	-0.079	0.000	0.000	0.000	0.000
185	A	189	ALA	0	0.013	0.005	45.917	0.007	0.007	0.000	0.000	0.000	0.000
186	A	190	LYS	1	0.795	0.900	47.551	-6.258	-6.258	0.000	0.000	0.000	0.000
187	A	191	ALA	0	-0.018	0.011	50.975	-0.080	-0.080	0.000	0.000	0.000	0.000
188	A	192	GLY	0	0.048	0.024	48.609	-0.066	-0.066	0.000	0.000	0.000	0.000
189	A	193	LEU	0	-0.009	-0.013	47.055	0.007	0.007	0.000	0.000	0.000	0.000
190	A	194	THR	0	-0.031	-0.035	49.355	-0.070	-0.070	0.000	0.000	0.000	0.000
191	A	195	PHE	0	0.030	0.024	51.795	-0.067	-0.067	0.000	0.000	0.000	0.000
192	A	196	LEU	0	0.001	-0.002	46.309	-0.023	-0.023	0.000	0.000	0.000	0.000
193	A	197	VAL	0	-0.017	-0.016	50.505	-0.029	-0.029	0.000	0.000	0.000	0.000
194	A	198	ASP	-1	-0.862	-0.937	52.567	5.607	5.607	0.000	0.000	0.000	0.000
195	A	199	LEU	0	-0.043	-0.009	51.150	-0.101	-0.101	0.000	0.000	0.000	0.000
196	A	200	ILE	0	-0.024	-0.002	49.600	-0.039	-0.039	0.000	0.000	0.000	0.000
197	A	201	LYS	1	0.804	0.900	54.116	-6.019	-6.019	0.000	0.000	0.000	0.000
198	A	202	ASN	0	-0.074	-0.045	57.472	-0.192	-0.192	0.000	0.000	0.000	0.000
199	A	203	LYS	1	0.897	0.955	57.021	-5.682	-5.682	0.000	0.000	0.000	0.000
200	A	204	HIS	0	0.002	-0.019	55.201	-0.041	-0.041	0.000	0.000	0.000	0.000
201	A	205	MET	0	-0.019	0.010	49.145	0.140	0.140	0.000	0.000	0.000	0.000
202	A	206	ASN	0	-0.041	-0.035	51.981	-0.119	-0.119	0.000	0.000	0.000	0.000
203	A	207	ALA	0	0.019	0.009	50.450	0.139	0.139	0.000	0.000	0.000	0.000
204	A	208	ASP	-1	-0.849	-0.916	48.433	6.663	6.663	0.000	0.000	0.000	0.000
205	A	209	THR	0	-0.040	-0.026	46.102	0.127	0.127	0.000	0.000	0.000	0.000
206	A	210	ASP	-1	-0.776	-0.890	42.060	7.656	7.656	0.000	0.000	0.000	0.000
207	A	211	TYR	0	-0.056	-0.050	36.802	-0.037	-0.037	0.000	0.000	0.000	0.000
208	A	212	SER	0	0.019	0.010	40.203	0.067	0.067	0.000	0.000	0.000	0.000
209	A	213	ILE	0	-0.058	-0.028	41.778	-0.108	-0.108	0.000	0.000	0.000	0.000
210	A	214	ALA	0	-0.005	0.007	43.357	-0.127	-0.127	0.000	0.000	0.000	0.000
211	A	215	GLU	-1	-0.813	-0.880	38.612	8.452	8.452	0.000	0.000	0.000	0.000
212	A	216	ALA	0	-0.021	-0.009	42.945	-0.067	-0.067	0.000	0.000	0.000	0.000
213	A	217	ALA	0	0.029	0.010	45.191	-0.130	-0.130	0.000	0.000	0.000	0.000
214	A	218	PHE	0	-0.041	-0.010	44.574	-0.143	-0.143	0.000	0.000	0.000	0.000
215	A	219	ASN	0	0.062	0.014	41.330	-0.134	-0.134	0.000	0.000	0.000	0.000
216	A	220	LYS	1	0.798	0.911	45.822	-6.263	-6.263	0.000	0.000	0.000	0.000
217	A	221	GLY	0	-0.025	-0.015	49.118	-0.149	-0.149	0.000	0.000	0.000	0.000
218	A	222	GLU	-1	-0.801	-0.898	50.886	5.899	5.899	0.000	0.000	0.000	0.000
219	A	223	THR	0	-0.044	-0.030	49.106	-0.072	-0.072	0.000	0.000	0.000	0.000
220	A	224	ALA	0	0.031	0.015	50.855	0.084	0.084	0.000	0.000	0.000	0.000
221	A	225	MET	0	-0.033	-0.011	48.239	0.026	0.026	0.000	0.000	0.000	0.000
222	A	226	THR	0	0.018	-0.017	42.933	0.055	0.055	0.000	0.000	0.000	0.000
223	A	227	ILE	0	-0.002	0.000	40.758	0.005	0.005	0.000	0.000	0.000	0.000
224	A	228	ASN	0	0.030	-0.002	37.311	0.291	0.291	0.000	0.000	0.000	0.000
225	A	229	GLY	0	0.070	0.026	34.899	-0.099	-0.099	0.000	0.000	0.000	0.000
226	A	230	PRO	0	0.008	0.000	31.893	-0.056	-0.056	0.000	0.000	0.000	0.000
227	A	231	TRP	0	-0.047	-0.017	30.904	0.048	0.048	0.000	0.000	0.000	0.000
228	A	232	ALA	0	0.009	0.010	32.595	-0.003	-0.003	0.000	0.000	0.000	0.000
229	A	233	TRP	0	0.017	0.007	34.969	-0.148	-0.148	0.000	0.000	0.000	0.000
230	A	234	SER	0	0.073	0.047	34.545	-0.143	-0.143	0.000	0.000	0.000	0.000
231	A	235	ASN	0	-0.081	-0.043	36.352	-0.052	-0.052	0.000	0.000	0.000	0.000
232	A	236	ILE	0	-0.024	0.000	38.983	-0.230	-0.230	0.000	0.000	0.000	0.000
233	A	237	ASP	-1	-0.791	-0.855	38.439	8.138	8.138	0.000	0.000	0.000	0.000
234	A	238	THR	0	-0.077	-0.038	39.096	-0.083	-0.083	0.000	0.000	0.000	0.000
235	A	239	SER	0	-0.083	-0.046	41.712	-0.217	-0.217	0.000	0.000	0.000	0.000
236	A	240	LYS	1	0.878	0.929	45.041	-6.397	-6.397	0.000	0.000	0.000	0.000
237	A	241	VAL	0	-0.026	-0.007	46.905	-0.192	-0.192	0.000	0.000	0.000	0.000
238	A	242	ASN	0	-0.002	-0.006	46.928	0.304	0.304	0.000	0.000	0.000	0.000
239	A	243	TYR	0	-0.042	-0.055	40.588	-0.092	-0.092	0.000	0.000	0.000	0.000
240	A	244	GLY	0	-0.017	0.001	45.140	0.009	0.009	0.000	0.000	0.000	0.000
241	A	245	VAL	0	-0.005	-0.007	39.820	0.009	0.009	0.000	0.000	0.000	0.000
242	A	246	THR	0	-0.028	-0.023	43.268	-0.108	-0.108	0.000	0.000	0.000	0.000
243	A	247	VAL	0	-0.006	0.008	43.028	0.125	0.125	0.000	0.000	0.000	0.000
244	A	248	LEU	0	-0.014	-0.020	40.590	-0.163	-0.163	0.000	0.000	0.000	0.000
245	A	249	PRO	0	-0.004	0.015	44.768	-0.066	-0.066	0.000	0.000	0.000	0.000
246	A	250	THR	0	-0.028	-0.021	47.245	0.092	0.092	0.000	0.000	0.000	0.000
247	A	251	PHE	0	-0.011	-0.016	49.333	-0.078	-0.078	0.000	0.000	0.000	0.000
248	A	252	LYS	1	0.844	0.906	50.914	-5.964	-5.964	0.000	0.000	0.000	0.000
249	A	253	GLY	0	-0.018	0.001	52.647	-0.029	-0.029	0.000	0.000	0.000	0.000
250	A	254	GLN	0	-0.027	-0.003	48.017	0.148	0.148	0.000	0.000	0.000	0.000
251	A	255	PRO	0	0.001	-0.002	44.103	-0.040	-0.040	0.000	0.000	0.000	0.000
252	A	256	SER	0	0.015	-0.018	43.539	0.015	0.015	0.000	0.000	0.000	0.000
253	A	257	LYS	1	0.803	0.915	40.332	-7.590	-7.590	0.000	0.000	0.000	0.000
254	A	258	PRO	0	-0.006	0.005	37.057	0.053	0.053	0.000	0.000	0.000	0.000
255	A	259	PHE	0	-0.007	-0.009	33.289	0.104	0.104	0.000	0.000	0.000	0.000
256	A	260	VAL	0	0.013	0.011	30.256	0.101	0.101	0.000	0.000	0.000	0.000
257	A	261	GLY	0	-0.013	-0.007	28.488	0.170	0.170	0.000	0.000	0.000	0.000
258	A	262	VAL	0	0.007	-0.004	24.277	-0.151	-0.151	0.000	0.000	0.000	0.000
259	A	263	LEU	0	0.022	0.043	20.663	0.544	0.544	0.000	0.000	0.000	0.000
260	A	264	SER	0	-0.008	-0.031	20.227	-0.260	-0.260	0.000	0.000	0.000	0.000
261	A	265	ALA	0	0.017	0.003	15.328	0.417	0.417	0.000	0.000	0.000	0.000
262	A	266	GLY	0	0.036	0.016	14.927	-0.488	-0.488	0.000	0.000	0.000	0.000
263	A	267	ILE	0	0.005	0.006	9.511	1.331	1.331	0.000	0.000	0.000	0.000
264	A	268	ASN	0	0.007	0.003	7.104	-5.419	-5.419	0.000	0.000	0.000	0.000
265	A	269	ALA	0	0.008	-0.003	9.145	1.844	1.844	0.000	0.000	0.000	0.000
266	A	270	ALA	0	0.004	0.006	7.940	-0.568	-0.568	0.000	0.000	0.000	0.000
267	A	271	SER	0	-0.056	-0.030	4.615	2.530	2.675	-0.001	-0.006	-0.138	0.000
268	A	272	PRO	0	0.037	0.025	2.476	-14.351	-11.717	1.580	-1.716	-2.498	0.016
269	A	273	ASN	0	-0.045	-0.048	1.892	-29.730	-30.432	8.834	-4.384	-3.749	0.054
270	A	274	LYS	1	0.822	0.891	5.959	-35.573	-35.573	0.000	0.000	0.000	0.000
271	A	275	GLU	-1	-0.813	-0.911	9.149	18.882	18.882	0.000	0.000	0.000	0.000
272	A	276	LEU	0	0.039	0.029	6.317	-1.452	-1.452	0.000	0.000	0.000	0.000
273	A	277	ALA	0	0.004	-0.004	8.653	-1.342	-1.342	0.000	0.000	0.000	0.000
274	A	278	LYS	1	0.809	0.900	10.502	-19.813	-19.813	0.000	0.000	0.000	0.000
275	A	279	GLU	-1	-0.928	-0.957	13.012	19.465	19.465	0.000	0.000	0.000	0.000
276	A	280	PHE	0	0.009	-0.002	12.163	-1.307	-1.307	0.000	0.000	0.000	0.000
277	A	281	LEU	0	-0.017	-0.015	13.847	-1.449	-1.449	0.000	0.000	0.000	0.000
278	A	282	GLU	-1	-0.823	-0.907	16.360	15.463	15.463	0.000	0.000	0.000	0.000
279	A	283	ASN	0	-0.044	-0.035	17.575	-1.667	-1.667	0.000	0.000	0.000	0.000
280	A	284	TYR	0	-0.050	-0.037	16.339	-0.168	-0.168	0.000	0.000	0.000	0.000
281	A	285	LEU	0	-0.012	0.001	17.354	-0.755	-0.755	0.000	0.000	0.000	0.000
282	A	286	LEU	0	-0.019	-0.003	19.262	-0.866	-0.866	0.000	0.000	0.000	0.000
283	A	287	THR	0	-0.026	-0.019	21.585	-0.647	-0.647	0.000	0.000	0.000	0.000
284	A	288	ASP	-1	-0.770	-0.865	23.936	11.194	11.194	0.000	0.000	0.000	0.000
285	A	289	GLU	-1	-0.888	-0.961	24.347	12.074	12.074	0.000	0.000	0.000	0.000
286	A	290	GLY	0	-0.014	0.004	21.683	0.187	0.187	0.000	0.000	0.000	0.000
287	A	291	LEU	0	-0.004	-0.019	22.333	0.317	0.317	0.000	0.000	0.000	0.000
288	A	292	GLU	-1	-0.825	-0.881	24.474	11.190	11.190	0.000	0.000	0.000	0.000
289	A	293	ALA	0	-0.001	-0.004	22.436	-0.179	-0.179	0.000	0.000	0.000	0.000
290	A	294	VAL	0	-0.047	-0.023	20.763	0.037	0.037	0.000	0.000	0.000	0.000
291	A	295	ASN	0	0.020	0.006	23.498	-0.179	-0.179	0.000	0.000	0.000	0.000
292	A	296	LYS	1	0.777	0.873	27.138	-11.806	-11.806	0.000	0.000	0.000	0.000
293	A	297	ASP	-1	-0.871	-0.919	23.017	13.658	13.658	0.000	0.000	0.000	0.000
294	A	298	LYS	1	0.841	0.913	25.557	-12.078	-12.078	0.000	0.000	0.000	0.000
295	A	299	PRO	0	-0.028	-0.005	26.600	0.335	0.335	0.000	0.000	0.000	0.000
296	A	300	LEU	0	-0.022	-0.020	23.547	0.176	0.176	0.000	0.000	0.000	0.000
297	A	301	GLY	0	-0.024	-0.005	27.575	0.028	0.028	0.000	0.000	0.000	0.000
298	A	302	ALA	0	0.017	0.025	30.734	-0.130	-0.130	0.000	0.000	0.000	0.000
299	A	303	VAL	0	-0.029	-0.026	27.134	0.546	0.546	0.000	0.000	0.000	0.000
300	A	304	ALA	0	-0.007	-0.004	25.261	-0.354	-0.354	0.000	0.000	0.000	0.000
301	A	305	LEU	0	-0.015	-0.001	25.125	-0.176	-0.176	0.000	0.000	0.000	0.000
302	A	306	LYS	1	0.837	0.913	27.594	-10.170	-10.170	0.000	0.000	0.000	0.000
303	A	307	SER	0	0.044	-0.006	29.333	-0.188	-0.188	0.000	0.000	0.000	0.000
304	A	308	TYR	0	0.066	0.017	28.238	-0.177	-0.177	0.000	0.000	0.000	0.000
305	A	309	GLU	-1	-0.821	-0.918	30.567	9.676	9.676	0.000	0.000	0.000	0.000
306	A	310	GLU	-1	-0.984	-1.002	32.469	8.801	8.801	0.000	0.000	0.000	0.000
307	A	311	GLU	-1	-0.902	-0.929	32.709	8.825	8.825	0.000	0.000	0.000	0.000
308	A	312	LEU	0	0.025	0.010	30.067	-0.270	-0.270	0.000	0.000	0.000	0.000
309	A	313	ALA	0	-0.028	-0.014	34.587	-0.221	-0.221	0.000	0.000	0.000	0.000
310	A	314	LYS	1	0.769	0.871	37.090	-9.011	-9.011	0.000	0.000	0.000	0.000
311	A	315	ASP	-1	-0.811	-0.877	37.474	8.229	8.229	0.000	0.000	0.000	0.000
312	A	316	PRO	0	0.017	-0.007	39.024	0.109	0.109	0.000	0.000	0.000	0.000
313	A	317	ARG	1	0.800	0.878	37.455	-8.557	-8.557	0.000	0.000	0.000	0.000
314	A	318	ILE	0	0.005	0.025	33.434	0.114	0.114	0.000	0.000	0.000	0.000
315	A	319	ALA	0	0.031	0.023	36.391	0.092	0.092	0.000	0.000	0.000	0.000
316	A	320	ALA	0	0.006	0.001	38.665	-0.002	-0.002	0.000	0.000	0.000	0.000
317	A	321	THR	0	-0.037	-0.028	33.486	0.046	0.046	0.000	0.000	0.000	0.000
318	A	322	MET	0	0.009	0.011	31.544	0.070	0.070	0.000	0.000	0.000	0.000
319	A	323	GLU	-1	-0.874	-0.926	35.723	7.411	7.411	0.000	0.000	0.000	0.000
320	A	324	ASN	0	0.001	-0.018	38.441	-0.269	-0.269	0.000	0.000	0.000	0.000
321	A	325	ALA	0	-0.022	-0.010	33.448	0.014	0.014	0.000	0.000	0.000	0.000
322	A	326	GLN	0	-0.047	-0.024	35.549	0.145	0.145	0.000	0.000	0.000	0.000
323	A	327	LYS	1	0.820	0.901	36.888	-7.595	-7.595	0.000	0.000	0.000	0.000
324	A	328	GLY	0	0.035	0.021	37.012	-0.206	-0.206	0.000	0.000	0.000	0.000
325	A	329	GLU	-1	-0.862	-0.925	36.031	8.240	8.240	0.000	0.000	0.000	0.000
326	A	330	ILE	0	0.035	0.011	29.660	0.191	0.191	0.000	0.000	0.000	0.000
327	A	331	MET	0	-0.034	0.002	29.731	-0.056	-0.056	0.000	0.000	0.000	0.000
328	A	332	PRO	0	0.023	0.004	29.385	0.396	0.396	0.000	0.000	0.000	0.000
329	A	333	ASN	0	-0.031	-0.011	24.947	-0.156	-0.156	0.000	0.000	0.000	0.000
330	A	334	ILE	0	0.019	0.029	25.700	0.434	0.434	0.000	0.000	0.000	0.000
331	A	335	PRO	0	0.030	0.007	26.331	-0.132	-0.132	0.000	0.000	0.000	0.000
332	A	336	GLN	0	-0.048	-0.044	28.141	0.037	0.037	0.000	0.000	0.000	0.000
333	A	337	MET	0	0.039	0.041	30.379	-0.388	-0.388	0.000	0.000	0.000	0.000
334	A	338	SER	0	-0.018	-0.015	30.650	-0.163	-0.163	0.000	0.000	0.000	0.000
335	A	339	ALA	0	-0.055	-0.017	32.526	-0.208	-0.208	0.000	0.000	0.000	0.000
336	A	340	PHE	0	0.033	0.017	35.317	-0.263	-0.263	0.000	0.000	0.000	0.000
337	A	341	TRP	0	0.033	0.004	30.879	-0.398	-0.398	0.000	0.000	0.000	0.000
338	A	342	TYR	0	0.000	-0.006	36.245	-0.165	-0.165	0.000	0.000	0.000	0.000
339	A	343	ALA	0	-0.010	0.013	38.338	-0.237	-0.237	0.000	0.000	0.000	0.000
340	A	344	VAL	0	0.057	0.019	39.907	-0.227	-0.227	0.000	0.000	0.000	0.000
341	A	345	ARG	1	0.854	0.916	35.394	-8.935	-8.935	0.000	0.000	0.000	0.000
342	A	346	THR	0	-0.042	-0.031	41.494	-0.185	-0.185	0.000	0.000	0.000	0.000
343	A	347	ALA	0	0.015	0.010	44.082	-0.185	-0.185	0.000	0.000	0.000	0.000
344	A	348	VAL	0	0.028	0.015	43.694	-0.201	-0.201	0.000	0.000	0.000	0.000
345	A	349	ILE	0	0.032	0.022	44.156	-0.203	-0.203	0.000	0.000	0.000	0.000
346	A	350	ASN	0	-0.007	0.003	47.073	-0.182	-0.182	0.000	0.000	0.000	0.000
347	A	351	ALA	0	0.038	0.031	49.523	-0.159	-0.159	0.000	0.000	0.000	0.000
348	A	352	ALA	0	0.013	0.000	49.449	-0.162	-0.162	0.000	0.000	0.000	0.000
349	A	353	SER	0	-0.089	-0.069	50.858	-0.167	-0.167	0.000	0.000	0.000	0.000
350	A	354	GLY	0	-0.014	-0.003	52.955	-0.128	-0.128	0.000	0.000	0.000	0.000
351	A	355	ARG	1	0.848	0.926	48.884	-6.563	-6.563	0.000	0.000	0.000	0.000
352	A	356	GLN	0	-0.026	-0.006	49.747	0.102	0.102	0.000	0.000	0.000	0.000
353	A	357	THR	0	0.039	0.019	53.895	0.030	0.030	0.000	0.000	0.000	0.000
354	A	358	VAL	0	0.048	0.014	50.861	0.101	0.101	0.000	0.000	0.000	0.000
355	A	359	ASP	-1	-0.829	-0.919	51.111	6.093	6.093	0.000	0.000	0.000	0.000
356	A	360	GLU	-1	-0.903	-0.937	51.723	6.255	6.255	0.000	0.000	0.000	0.000
357	A	361	ALA	0	-0.021	-0.007	48.834	0.120	0.120	0.000	0.000	0.000	0.000
358	A	362	LEU	0	-0.013	-0.010	46.038	0.194	0.194	0.000	0.000	0.000	0.000
359	A	363	ALA	0	0.085	0.057	46.895	0.161	0.161	0.000	0.000	0.000	0.000
360	A	364	ALA	0	-0.007	0.002	47.570	0.126	0.126	0.000	0.000	0.000	0.000
361	A	365	ALA	0	-0.005	0.004	43.340	0.193	0.193	0.000	0.000	0.000	0.000
362	A	366	GLN	0	-0.015	-0.025	42.670	0.124	0.124	0.000	0.000	0.000	0.000
363	A	367	THR	0	-0.016	-0.016	42.782	0.190	0.190	0.000	0.000	0.000	0.000
364	A	368	ASN	0	-0.084	-0.063	41.425	0.238	0.238	0.000	0.000	0.000	0.000
365	A	369	ALA	0	0.029	0.009	38.539	0.239	0.239	0.000	0.000	0.000	0.000
366	A	370	ALA	0	0.050	0.043	37.760	0.284	0.284	0.000	0.000	0.000	0.000
367	A	371	ALA	0	-0.061	-0.016	39.534	0.004	0.004	0.000	0.000	0.000	0.000
368	A	372	ASN	0	0.024	0.000	36.163	0.255	0.255	0.000	0.000	0.000	0.000
369	A	373	LEU	0	0.090	0.042	30.366	-0.150	-0.150	0.000	0.000	0.000	0.000
370	A	374	GLU	-1	-0.862	-0.919	32.646	9.847	9.847	0.000	0.000	0.000	0.000
371	A	375	LYS	1	0.931	0.964	35.054	-7.663	-7.663	0.000	0.000	0.000	0.000
372	A	376	ILE	0	0.018	0.021	36.565	-0.123	-0.123	0.000	0.000	0.000	0.000
373	A	377	LYS	1	0.845	0.917	31.244	-10.121	-10.121	0.000	0.000	0.000	0.000
374	A	378	LYS	1	0.958	0.977	35.244	-7.901	-7.901	0.000	0.000	0.000	0.000
375	A	379	LEU	0	-0.008	-0.001	38.132	-0.106	-0.106	0.000	0.000	0.000	0.000
376	A	380	ARG	1	0.946	0.968	32.008	-9.726	-9.726	0.000	0.000	0.000	0.000
377	A	381	ASN	0	-0.024	-0.015	35.060	0.066	0.066	0.000	0.000	0.000	0.000
378	A	382	VAL	0	-0.059	-0.007	39.120	-0.060	-0.060	0.000	0.000	0.000	0.000
379	A	383	ILE	0	0.003	0.014	41.922	-0.244	-0.244	0.000	0.000	0.000	0.000
380	A	406	THR	0	0.041	0.017	43.083	0.043	0.043	0.000	0.000	0.000	0.000
381	A	407	SER	0	-0.047	-0.055	45.356	-0.229	-0.229	0.000	0.000	0.000	0.000
382	A	408	ALA	0	0.011	0.014	41.878	0.055	0.055	0.000	0.000	0.000	0.000
383	A	409	TRP	0	0.039	0.023	40.933	0.097	0.097	0.000	0.000	0.000	0.000
384	A	410	LYS	1	0.874	0.955	44.785	-7.462	-7.462	0.000	0.000	0.000	0.000
385	A	411	VAL	0	-0.014	-0.012	48.102	0.045	0.045	0.000	0.000	0.000	0.000
386	A	412	ILE	0	0.004	0.004	48.257	-0.064	-0.064	0.000	0.000	0.000	0.000
387	A	413	LEU	0	-0.008	-0.001	52.277	-0.033	-0.033	0.000	0.000	0.000	0.000
388	A	414	TYR	0	0.014	-0.020	49.466	0.097	0.097	0.000	0.000	0.000	0.000
389	A	415	ASN	0	-0.060	-0.022	55.726	-0.180	-0.180	0.000	0.000	0.000	0.000
390	A	416	ASP	-1	-0.795	-0.877	58.072	5.452	5.452	0.000	0.000	0.000	0.000
391	A	417	ASP	-1	-0.849	-0.939	60.896	5.152	5.152	0.000	0.000	0.000	0.000
392	A	418	ILE	0	-0.064	-0.011	63.121	-0.132	-0.132	0.000	0.000	0.000	0.000
393	A	419	HIS	0	0.037	0.002	65.527	-0.006	-0.006	0.000	0.000	0.000	0.000
394	A	420	ASN	0	-0.028	-0.001	68.010	-0.052	-0.052	0.000	0.000	0.000	0.000
395	A	421	PHE	0	0.092	0.017	65.216	0.035	0.035	0.000	0.000	0.000	0.000
396	A	422	THR	0	-0.011	0.011	67.321	0.064	0.064	0.000	0.000	0.000	0.000
397	A	423	TYR	0	-0.026	-0.018	65.708	-0.021	-0.021	0.000	0.000	0.000	0.000
398	A	424	VAL	0	0.042	0.019	62.468	0.040	0.040	0.000	0.000	0.000	0.000
399	A	425	THR	0	-0.018	-0.022	64.084	0.068	0.068	0.000	0.000	0.000	0.000
400	A	426	ASP	-1	-0.781	-0.893	65.367	4.708	4.708	0.000	0.000	0.000	0.000
401	A	427	VAL	0	-0.015	0.001	62.357	0.011	0.011	0.000	0.000	0.000	0.000
402	A	428	ILE	0	-0.013	-0.003	60.048	0.065	0.065	0.000	0.000	0.000	0.000
403	A	429	VAL	0	-0.037	-0.024	62.009	0.045	0.045	0.000	0.000	0.000	0.000
404	A	430	LYS	1	0.846	0.931	64.515	-4.902	-4.902	0.000	0.000	0.000	0.000
405	A	431	VAL	0	-0.006	0.017	58.815	0.007	0.007	0.000	0.000	0.000	0.000
406	A	432	VAL	0	-0.011	-0.012	57.146	0.072	0.072	0.000	0.000	0.000	0.000
407	A	433	GLY	0	0.029	0.007	59.799	-0.025	-0.025	0.000	0.000	0.000	0.000
408	A	434	GLN	0	-0.010	0.004	55.499	-0.042	-0.042	0.000	0.000	0.000	0.000
409	A	435	ILE	0	-0.041	-0.010	57.632	-0.028	-0.028	0.000	0.000	0.000	0.000
410	A	436	SER	0	0.047	0.023	61.620	-0.078	-0.078	0.000	0.000	0.000	0.000
411	A	437	LYS	1	0.887	0.903	64.442	-4.584	-4.584	0.000	0.000	0.000	0.000
412	A	438	ALA	0	0.026	0.020	66.254	0.011	0.011	0.000	0.000	0.000	0.000
413	A	439	LYS	1	0.964	1.006	56.971	-5.646	-5.646	0.000	0.000	0.000	0.000
414	A	440	ALA	0	0.057	0.027	61.597	0.071	0.071	0.000	0.000	0.000	0.000
415	A	441	HIS	0	-0.030	-0.007	62.877	0.019	0.019	0.000	0.000	0.000	0.000
416	A	442	THR	0	-0.035	-0.031	60.595	0.016	0.016	0.000	0.000	0.000	0.000
417	A	443	ILE	0	-0.014	-0.008	56.602	0.031	0.031	0.000	0.000	0.000	0.000
418	A	444	THR	0	-0.003	0.001	59.585	0.056	0.056	0.000	0.000	0.000	0.000
419	A	445	VAL	0	0.009	0.008	61.848	0.023	0.023	0.000	0.000	0.000	0.000
420	A	446	GLU	-1	-0.899	-0.952	55.692	5.853	5.853	0.000	0.000	0.000	0.000
421	A	447	ALA	0	0.010	0.019	56.876	0.062	0.062	0.000	0.000	0.000	0.000
422	A	448	HIS	1	0.812	0.882	57.900	-5.278	-5.278	0.000	0.000	0.000	0.000
423	A	449	SER	0	-0.061	-0.009	60.303	0.010	0.010	0.000	0.000	0.000	0.000
424	A	450	THR	0	0.005	-0.021	54.975	0.047	0.047	0.000	0.000	0.000	0.000
425	A	451	GLY	0	0.019	0.011	54.799	0.074	0.074	0.000	0.000	0.000	0.000
426	A	452	GLN	0	-0.049	-0.052	50.433	0.014	0.014	0.000	0.000	0.000	0.000
427	A	453	ALA	0	0.001	0.017	53.810	-0.024	-0.024	0.000	0.000	0.000	0.000
428	A	454	LEU	0	0.025	0.021	49.320	-0.011	-0.011	0.000	0.000	0.000	0.000
429	A	455	ILE	0	-0.036	-0.012	52.717	-0.107	-0.107	0.000	0.000	0.000	0.000
430	A	456	LEU	0	-0.041	-0.029	52.677	-0.089	-0.089	0.000	0.000	0.000	0.000
431	A	457	SER	0	0.052	0.023	47.943	0.085	0.085	0.000	0.000	0.000	0.000
432	A	458	THR	0	-0.060	-0.021	48.906	-0.132	-0.132	0.000	0.000	0.000	0.000
433	A	459	TRP	0	0.086	0.033	46.575	0.164	0.164	0.000	0.000	0.000	0.000
434	A	460	LYS	1	0.857	0.910	43.218	-7.399	-7.399	0.000	0.000	0.000	0.000
435	A	461	SER	0	0.000	0.004	46.844	-0.132	-0.132	0.000	0.000	0.000	0.000
436	A	462	LYS	1	0.892	0.954	49.743	-5.997	-5.997	0.000	0.000	0.000	0.000
437	A	463	ALA	0	0.043	0.020	48.831	-0.118	-0.118	0.000	0.000	0.000	0.000
438	A	464	GLU	-1	-0.795	-0.887	47.308	6.891	6.891	0.000	0.000	0.000	0.000
439	A	465	LYS	1	0.799	0.878	50.866	-5.749	-5.749	0.000	0.000	0.000	0.000
440	A	466	TYR	0	0.041	0.013	54.369	-0.065	-0.065	0.000	0.000	0.000	0.000
441	A	467	CYS	0	-0.015	0.007	50.709	-0.103	-0.103	0.000	0.000	0.000	0.000
442	A	468	GLN	0	0.033	0.030	53.763	-0.174	-0.174	0.000	0.000	0.000	0.000
443	A	469	GLU	-1	-0.760	-0.872	55.495	5.482	5.482	0.000	0.000	0.000	0.000
444	A	470	LEU	0	-0.009	-0.001	56.432	-0.124	-0.124	0.000	0.000	0.000	0.000
445	A	471	GLN	0	0.009	0.012	53.879	-0.043	-0.043	0.000	0.000	0.000	0.000
446	A	472	GLN	0	-0.054	-0.035	58.289	-0.146	-0.146	0.000	0.000	0.000	0.000
447	A	473	ASN	0	-0.060	-0.032	60.927	-0.198	-0.198	0.000	0.000	0.000	0.000
448	A	474	GLY	0	0.034	0.026	61.756	-0.096	-0.096	0.000	0.000	0.000	0.000
449	A	475	LEU	0	-0.038	-0.008	59.329	-0.004	-0.004	0.000	0.000	0.000	0.000
450	A	476	THR	0	-0.001	-0.015	55.333	0.087	0.087	0.000	0.000	0.000	0.000
451	A	477	VAL	0	-0.034	-0.019	54.153	0.030	0.030	0.000	0.000	0.000	0.000
452	A	478	SER	0	0.028	0.013	48.675	0.055	0.055	0.000	0.000	0.000	0.000
453	A	479	ILE	0	-0.041	-0.013	46.603	-0.076	-0.076	0.000	0.000	0.000	0.000
454	A	480	ILE	0	-0.007	0.006	43.277	0.109	0.109	0.000	0.000	0.000	0.000
455	A	481	HIS	0	-0.056	-0.036	38.874	0.082	0.082	0.000	0.000	0.000	0.000
456	A	482	GLU	-1	-0.759	-0.884	39.088	7.526	7.526	0.000	0.000	0.000	0.000
457	A	483	SER	0	-0.074	-0.025	36.137	0.384	0.384	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:5:GLU)