FMO DATABASE

FMODB ID: YNZ22

Calculation Name: 1EOV-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1EOV

Chain ID: A

ChEMBL ID:

UniProt ID: P04802

Base Structure: X-ray

Registration Date: 2023-09-27

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	487
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-9228451.008805
FMO2-HF: Nuclear repulsion	9034636.651198
FMO2-HF: Total energy	-193814.357607
FMO2-MP2: Total energy	-194384.222618

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:71:ALA)

Summations of interaction energy for fragment #1(A:71:ALA)

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.
-5.171	0.187	2.673	-3.474	-4.556	-0.017

Interaction energy analysis for fragmet #1(A:71:ALA)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.006 / q_NPA : 0.002

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	73	ASP	-1	-0.802	-0.885	3.594	-2.808	0.125	-0.001	-1.446	-1.485	-0.001
4	A	74	ASN	0	-0.064	-0.025	3.021	-0.200	0.543	0.256	-0.288	-0.711	-0.002
5	A	75	TYR	0	0.030	0.006	5.416	0.329	0.329	0.000	0.000	0.000	0.000
6	A	76	GLY	0	0.035	0.031	8.572	0.065	0.065	0.000	0.000	0.000	0.000
7	A	77	LYS	1	0.876	0.924	11.470	-0.012	-0.012	0.000	0.000	0.000	0.000
8	A	78	LEU	0	-0.020	-0.009	14.083	-0.002	-0.002	0.000	0.000	0.000	0.000
9	A	79	PRO	0	0.021	0.000	14.783	0.023	0.023	0.000	0.000	0.000	0.000
10	A	80	LEU	0	0.018	0.019	17.987	-0.013	-0.013	0.000	0.000	0.000	0.000
11	A	81	ILE	0	0.004	-0.006	20.243	0.001	0.001	0.000	0.000	0.000	0.000
12	A	82	GLN	0	-0.010	-0.006	22.810	0.005	0.005	0.000	0.000	0.000	0.000
13	A	83	SER	0	-0.018	-0.020	25.088	0.001	0.001	0.000	0.000	0.000	0.000
14	A	84	ARG	1	0.917	0.972	23.100	0.019	0.019	0.000	0.000	0.000	0.000
15	A	85	ASP	-1	-0.781	-0.904	23.653	-0.037	-0.037	0.000	0.000	0.000	0.000
16	A	86	SER	0	-0.052	-0.037	20.915	-0.001	-0.001	0.000	0.000	0.000	0.000
17	A	87	ASP	-1	-0.844	-0.894	19.066	-0.055	-0.055	0.000	0.000	0.000	0.000
18	A	88	ARG	1	0.815	0.906	19.592	0.031	0.031	0.000	0.000	0.000	0.000
19	A	89	THR	0	-0.005	-0.013	16.165	0.005	0.005	0.000	0.000	0.000	0.000
20	A	90	GLY	0	0.024	0.021	19.445	-0.005	-0.005	0.000	0.000	0.000	0.000
21	A	91	GLN	0	-0.019	-0.002	15.075	-0.020	-0.020	0.000	0.000	0.000	0.000
22	A	92	LYS	1	0.990	0.996	20.046	0.110	0.110	0.000	0.000	0.000	0.000
23	A	93	ARG	1	0.921	0.957	18.671	0.135	0.135	0.000	0.000	0.000	0.000
24	A	94	VAL	0	0.005	0.009	21.712	0.011	0.011	0.000	0.000	0.000	0.000
25	A	95	LYS	1	0.899	0.945	23.904	0.092	0.092	0.000	0.000	0.000	0.000
26	A	96	PHE	0	0.025	-0.009	21.521	-0.003	-0.003	0.000	0.000	0.000	0.000
27	A	97	VAL	0	0.004	-0.005	26.017	0.000	0.000	0.000	0.000	0.000	0.000
28	A	98	ASP	-1	-0.851	-0.921	27.400	-0.096	-0.096	0.000	0.000	0.000	0.000
29	A	99	LEU	0	-0.075	-0.025	23.206	-0.003	-0.003	0.000	0.000	0.000	0.000
30	A	100	ASP	-1	-0.761	-0.855	27.298	-0.087	-0.087	0.000	0.000	0.000	0.000
31	A	101	GLU	-1	-0.795	-0.879	28.392	-0.112	-0.112	0.000	0.000	0.000	0.000
32	A	102	ALA	0	-0.009	-0.008	28.895	-0.006	-0.006	0.000	0.000	0.000	0.000
33	A	103	LYS	1	0.833	0.894	28.922	0.082	0.082	0.000	0.000	0.000	0.000
34	A	104	ASP	-1	-0.877	-0.954	25.071	-0.125	-0.125	0.000	0.000	0.000	0.000
35	A	105	SER	0	0.012	-0.012	23.887	-0.012	-0.012	0.000	0.000	0.000	0.000
36	A	106	ASP	-1	-0.870	-0.911	20.536	-0.183	-0.183	0.000	0.000	0.000	0.000
37	A	107	LYS	1	0.868	0.949	19.931	0.123	0.123	0.000	0.000	0.000	0.000
38	A	108	GLU	-1	-0.829	-0.906	13.886	-0.358	-0.358	0.000	0.000	0.000	0.000
39	A	109	VAL	0	-0.020	-0.004	16.929	0.028	0.028	0.000	0.000	0.000	0.000
40	A	110	LEU	0	-0.023	-0.012	14.825	-0.032	-0.032	0.000	0.000	0.000	0.000
41	A	111	PHE	0	0.023	0.002	17.652	0.029	0.029	0.000	0.000	0.000	0.000
42	A	112	ARG	1	0.934	0.967	18.452	0.083	0.083	0.000	0.000	0.000	0.000
43	A	113	ALA	0	-0.010	0.011	20.771	0.010	0.010	0.000	0.000	0.000	0.000
44	A	114	ARG	1	0.873	0.941	21.847	0.067	0.067	0.000	0.000	0.000	0.000
45	A	115	VAL	0	0.020	0.003	19.499	-0.008	-0.008	0.000	0.000	0.000	0.000
46	A	116	HIS	0	0.052	0.041	22.260	0.011	0.011	0.000	0.000	0.000	0.000
47	A	117	ASN	0	0.044	0.006	23.584	0.011	0.011	0.000	0.000	0.000	0.000
48	A	118	THR	0	-0.011	0.001	19.368	-0.015	-0.015	0.000	0.000	0.000	0.000
49	A	119	ARG	1	0.954	0.981	20.116	0.125	0.125	0.000	0.000	0.000	0.000
50	A	120	GLN	0	0.031	0.009	14.875	-0.035	-0.035	0.000	0.000	0.000	0.000
51	A	121	GLN	0	0.028	0.020	18.059	0.023	0.023	0.000	0.000	0.000	0.000
52	A	122	GLY	0	0.031	0.020	18.350	-0.017	-0.017	0.000	0.000	0.000	0.000
53	A	123	ALA	0	-0.005	-0.016	14.468	0.013	0.013	0.000	0.000	0.000	0.000
54	A	124	THR	0	-0.022	-0.034	12.685	-0.022	-0.022	0.000	0.000	0.000	0.000
55	A	125	LEU	0	0.027	0.022	13.539	-0.058	-0.058	0.000	0.000	0.000	0.000
56	A	126	ALA	0	0.007	0.003	14.667	0.039	0.039	0.000	0.000	0.000	0.000
57	A	127	PHE	0	0.008	0.016	16.134	-0.032	-0.032	0.000	0.000	0.000	0.000
58	A	128	LEU	0	0.007	-0.011	14.862	0.013	0.013	0.000	0.000	0.000	0.000
59	A	129	THR	0	-0.014	0.011	19.464	-0.004	-0.004	0.000	0.000	0.000	0.000
60	A	130	LEU	0	-0.027	-0.014	18.250	0.004	0.004	0.000	0.000	0.000	0.000
61	A	131	ARG	1	0.824	0.880	22.840	0.079	0.079	0.000	0.000	0.000	0.000
62	A	132	GLN	0	-0.061	-0.042	23.557	0.000	0.000	0.000	0.000	0.000	0.000
63	A	133	GLN	0	0.004	0.005	27.398	0.001	0.001	0.000	0.000	0.000	0.000
64	A	134	ALA	0	0.052	0.032	31.093	-0.001	-0.001	0.000	0.000	0.000	0.000
65	A	135	SER	0	-0.023	-0.006	28.951	-0.002	-0.002	0.000	0.000	0.000	0.000
66	A	136	LEU	0	0.025	0.003	26.929	-0.002	-0.002	0.000	0.000	0.000	0.000
67	A	137	ILE	0	0.033	0.032	22.103	0.003	0.003	0.000	0.000	0.000	0.000
68	A	138	GLN	0	0.071	0.043	20.862	-0.001	-0.001	0.000	0.000	0.000	0.000
69	A	139	GLY	0	0.034	0.016	18.026	-0.009	-0.009	0.000	0.000	0.000	0.000
70	A	140	LEU	0	-0.043	-0.016	15.679	0.011	0.011	0.000	0.000	0.000	0.000
71	A	141	VAL	0	0.002	0.012	10.195	-0.048	-0.048	0.000	0.000	0.000	0.000
72	A	142	LYS	1	0.986	0.972	11.279	0.393	0.393	0.000	0.000	0.000	0.000
73	A	143	ALA	0	-0.017	-0.009	8.670	-0.087	-0.087	0.000	0.000	0.000	0.000
74	A	144	ASN	0	-0.043	-0.007	6.289	-0.002	-0.002	0.000	0.000	0.000	0.000
75	A	145	LYS	1	0.965	0.991	8.201	0.286	0.286	0.000	0.000	0.000	0.000
76	A	146	GLU	-1	-0.824	-0.924	7.491	-0.544	-0.544	0.000	0.000	0.000	0.000
77	A	147	GLY	0	-0.017	-0.006	4.566	-0.237	-0.114	-0.001	-0.013	-0.109	0.000
78	A	148	THR	0	-0.024	-0.028	2.182	-3.584	-2.313	2.200	-1.983	-1.488	-0.008
79	A	149	ILE	0	0.000	0.015	2.974	-0.638	-0.654	0.218	0.310	-0.512	-0.006
80	A	150	SER	0	0.059	0.032	3.409	0.453	0.716	0.002	-0.052	-0.213	0.000
81	A	151	LYS	1	1.031	0.992	5.227	0.305	0.346	-0.001	-0.002	-0.038	0.000
82	A	152	ASN	0	-0.037	-0.008	6.993	0.424	0.424	0.000	0.000	0.000	0.000
83	A	153	MET	0	0.024	0.042	5.577	0.090	0.090	0.000	0.000	0.000	0.000
84	A	154	VAL	0	-0.017	0.000	8.815	0.095	0.095	0.000	0.000	0.000	0.000
85	A	155	LYS	1	0.964	0.984	11.543	0.014	0.014	0.000	0.000	0.000	0.000
86	A	156	TRP	0	-0.023	-0.015	11.481	-0.005	-0.005	0.000	0.000	0.000	0.000
87	A	157	ALA	0	0.055	0.016	12.531	0.021	0.021	0.000	0.000	0.000	0.000
88	A	158	GLY	0	-0.010	-0.018	14.259	0.025	0.025	0.000	0.000	0.000	0.000
89	A	159	SER	0	-0.092	-0.043	16.629	0.035	0.035	0.000	0.000	0.000	0.000
90	A	160	LEU	0	-0.028	0.006	15.473	0.018	0.018	0.000	0.000	0.000	0.000
91	A	161	ASN	0	0.031	0.016	18.903	-0.001	-0.001	0.000	0.000	0.000	0.000
92	A	162	LEU	0	0.062	0.049	22.539	-0.012	-0.012	0.000	0.000	0.000	0.000
93	A	163	GLU	-1	-0.746	-0.840	24.517	-0.061	-0.061	0.000	0.000	0.000	0.000
94	A	164	SER	0	-0.004	0.010	20.569	0.005	0.005	0.000	0.000	0.000	0.000
95	A	165	ILE	0	-0.063	-0.033	21.487	-0.011	-0.011	0.000	0.000	0.000	0.000
96	A	166	VAL	0	0.032	0.011	16.768	0.000	0.000	0.000	0.000	0.000	0.000
97	A	167	LEU	0	-0.039	-0.020	14.841	0.020	0.020	0.000	0.000	0.000	0.000
98	A	168	VAL	0	-0.005	-0.010	14.202	-0.042	-0.042	0.000	0.000	0.000	0.000
99	A	169	ARG	1	0.870	0.915	10.807	0.372	0.372	0.000	0.000	0.000	0.000
100	A	170	GLY	0	0.036	0.015	12.865	-0.061	-0.061	0.000	0.000	0.000	0.000
101	A	171	ILE	0	-0.014	0.011	13.701	0.027	0.027	0.000	0.000	0.000	0.000
102	A	172	VAL	0	0.016	0.013	16.761	-0.004	-0.004	0.000	0.000	0.000	0.000
103	A	173	LYS	1	0.812	0.897	17.823	0.234	0.234	0.000	0.000	0.000	0.000
104	A	174	LYS	1	0.894	0.927	21.453	0.128	0.128	0.000	0.000	0.000	0.000
105	A	175	VAL	0	-0.035	-0.018	23.340	-0.011	-0.011	0.000	0.000	0.000	0.000
106	A	176	ASP	-1	-0.904	-0.942	25.939	-0.109	-0.109	0.000	0.000	0.000	0.000
107	A	177	GLU	-1	-0.875	-0.935	28.136	-0.073	-0.073	0.000	0.000	0.000	0.000
108	A	178	PRO	0	-0.010	0.008	28.176	-0.006	-0.006	0.000	0.000	0.000	0.000
109	A	179	ILE	0	-0.004	-0.013	24.425	0.005	0.005	0.000	0.000	0.000	0.000
110	A	180	LYS	1	0.859	0.906	27.986	0.082	0.082	0.000	0.000	0.000	0.000
111	A	181	SER	0	-0.030	0.001	26.906	0.004	0.004	0.000	0.000	0.000	0.000
112	A	182	ALA	0	-0.056	-0.027	26.722	-0.004	-0.004	0.000	0.000	0.000	0.000
113	A	183	THR	0	0.009	-0.003	28.836	0.003	0.003	0.000	0.000	0.000	0.000
114	A	184	VAL	0	0.004	-0.003	27.024	0.004	0.004	0.000	0.000	0.000	0.000
115	A	185	GLN	0	-0.006	-0.007	27.255	-0.008	-0.008	0.000	0.000	0.000	0.000
116	A	186	ASN	0	0.007	-0.003	27.931	-0.003	-0.003	0.000	0.000	0.000	0.000
117	A	187	LEU	0	-0.015	0.000	24.157	-0.006	-0.006	0.000	0.000	0.000	0.000
118	A	188	GLU	-1	-0.867	-0.927	19.238	-0.196	-0.196	0.000	0.000	0.000	0.000
119	A	189	ILE	0	-0.034	-0.012	16.059	-0.010	-0.010	0.000	0.000	0.000	0.000
120	A	190	HIS	0	-0.047	-0.038	14.426	-0.036	-0.036	0.000	0.000	0.000	0.000
121	A	191	ILE	0	-0.044	-0.021	10.965	-0.021	-0.021	0.000	0.000	0.000	0.000
122	A	192	THR	0	-0.006	-0.019	9.093	-0.070	-0.070	0.000	0.000	0.000	0.000
123	A	193	LYS	1	0.817	0.896	6.010	0.593	0.593	0.000	0.000	0.000	0.000
124	A	194	ILE	0	-0.001	0.005	9.305	0.106	0.106	0.000	0.000	0.000	0.000
125	A	195	TYR	0	-0.007	-0.016	7.937	-0.038	-0.038	0.000	0.000	0.000	0.000
126	A	196	THR	0	-0.007	-0.026	13.267	0.010	0.010	0.000	0.000	0.000	0.000
127	A	197	ILE	0	-0.070	-0.038	16.693	0.011	0.011	0.000	0.000	0.000	0.000
128	A	198	SER	0	-0.007	-0.013	19.264	0.019	0.019	0.000	0.000	0.000	0.000
129	A	199	GLU	-1	-0.794	-0.854	18.005	-0.057	-0.057	0.000	0.000	0.000	0.000
130	A	200	THR	0	-0.048	-0.034	21.824	0.005	0.005	0.000	0.000	0.000	0.000
131	A	201	PRO	0	0.036	0.009	24.131	0.002	0.002	0.000	0.000	0.000	0.000
132	A	202	GLU	-1	-0.917	-0.958	24.522	0.002	0.002	0.000	0.000	0.000	0.000
133	A	203	ALA	0	-0.020	0.001	26.215	-0.005	-0.005	0.000	0.000	0.000	0.000
134	A	204	LEU	0	-0.034	-0.022	28.636	0.001	0.001	0.000	0.000	0.000	0.000
135	A	205	PRO	0	-0.018	-0.013	31.932	0.000	0.000	0.000	0.000	0.000	0.000
136	A	206	ILE	0	0.006	0.015	34.673	0.001	0.001	0.000	0.000	0.000	0.000
137	A	207	LEU	0	0.028	0.024	30.707	-0.003	-0.003	0.000	0.000	0.000	0.000
138	A	208	LEU	0	0.027	-0.011	29.414	0.000	0.000	0.000	0.000	0.000	0.000
139	A	209	GLU	-1	-0.893	-0.898	31.082	-0.049	-0.049	0.000	0.000	0.000	0.000
140	A	210	ASP	-1	-0.792	-0.895	32.646	-0.032	-0.032	0.000	0.000	0.000	0.000
141	A	211	ALA	0	-0.039	-0.018	34.924	0.001	0.001	0.000	0.000	0.000	0.000
142	A	212	SER	0	-0.066	-0.057	33.180	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	213	ARG	1	0.820	0.921	34.588	0.038	0.038	0.000	0.000	0.000	0.000
144	A	214	SER	0	-0.033	-0.008	38.329	0.002	0.002	0.000	0.000	0.000	0.000
145	A	215	GLU	-1	-0.776	-0.881	41.752	-0.027	-0.027	0.000	0.000	0.000	0.000
146	A	216	ALA	0	0.041	0.022	44.765	0.001	0.001	0.000	0.000	0.000	0.000
147	A	217	GLU	-1	-0.932	-0.974	38.145	-0.044	-0.044	0.000	0.000	0.000	0.000
148	A	218	ALA	0	-0.008	-0.016	41.374	0.000	0.000	0.000	0.000	0.000	0.000
149	A	219	GLU	-1	-0.944	-0.967	42.323	-0.021	-0.021	0.000	0.000	0.000	0.000
150	A	220	ALA	0	-0.050	-0.019	43.757	0.001	0.001	0.000	0.000	0.000	0.000
151	A	221	ALA	0	-0.043	-0.012	40.041	-0.001	-0.001	0.000	0.000	0.000	0.000
152	A	222	GLY	0	-0.023	-0.007	41.914	0.001	0.001	0.000	0.000	0.000	0.000
153	A	223	LEU	0	-0.050	-0.022	37.906	0.001	0.001	0.000	0.000	0.000	0.000
154	A	224	PRO	0	-0.021	-0.011	40.564	0.001	0.001	0.000	0.000	0.000	0.000
155	A	225	VAL	0	0.053	0.018	41.613	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	226	VAL	0	-0.009	0.000	38.607	0.002	0.002	0.000	0.000	0.000	0.000
157	A	227	ASN	0	0.006	0.005	41.939	-0.002	-0.002	0.000	0.000	0.000	0.000
158	A	228	LEU	0	0.047	0.017	43.885	-0.001	-0.001	0.000	0.000	0.000	0.000
159	A	229	ASP	-1	-0.777	-0.886	44.875	-0.016	-0.016	0.000	0.000	0.000	0.000
160	A	230	THR	0	0.011	0.006	41.089	0.000	0.000	0.000	0.000	0.000	0.000
161	A	231	ARG	1	0.820	0.899	39.152	0.031	0.031	0.000	0.000	0.000	0.000
162	A	232	LEU	0	-0.056	-0.027	40.940	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	233	ASP	-1	-0.838	-0.907	42.721	-0.014	-0.014	0.000	0.000	0.000	0.000
164	A	234	TYR	0	-0.009	-0.012	37.319	0.001	0.001	0.000	0.000	0.000	0.000
165	A	235	ARG	1	0.845	0.924	37.579	0.027	0.027	0.000	0.000	0.000	0.000
166	A	236	VAL	0	-0.005	-0.008	35.289	-0.003	-0.003	0.000	0.000	0.000	0.000
167	A	237	ILE	0	-0.061	-0.024	32.366	-0.004	-0.004	0.000	0.000	0.000	0.000
168	A	238	ASP	-1	-0.734	-0.866	34.247	-0.038	-0.038	0.000	0.000	0.000	0.000
169	A	239	LEU	0	-0.006	0.008	36.678	-0.003	-0.003	0.000	0.000	0.000	0.000
170	A	240	ARG	1	0.758	0.877	29.476	0.044	0.044	0.000	0.000	0.000	0.000
171	A	241	THR	0	0.026	0.021	32.332	-0.006	-0.006	0.000	0.000	0.000	0.000
172	A	242	VAL	0	0.005	-0.009	32.023	0.001	0.001	0.000	0.000	0.000	0.000
173	A	243	THR	0	0.038	0.005	34.530	-0.001	-0.001	0.000	0.000	0.000	0.000
174	A	244	ASN	0	0.022	0.013	37.555	0.003	0.003	0.000	0.000	0.000	0.000
175	A	245	GLN	0	-0.066	-0.045	33.367	-0.003	-0.003	0.000	0.000	0.000	0.000
176	A	246	ALA	0	0.012	0.012	36.803	0.000	0.000	0.000	0.000	0.000	0.000
177	A	247	ILE	0	0.021	0.017	39.172	0.001	0.001	0.000	0.000	0.000	0.000
178	A	248	PHE	0	-0.036	-0.026	39.929	0.001	0.001	0.000	0.000	0.000	0.000
179	A	249	ARG	1	0.813	0.897	33.507	0.062	0.062	0.000	0.000	0.000	0.000
180	A	250	ILE	0	0.033	0.022	40.792	0.001	0.001	0.000	0.000	0.000	0.000
181	A	251	GLN	0	-0.015	-0.014	44.219	0.001	0.001	0.000	0.000	0.000	0.000
182	A	252	ALA	0	0.017	0.003	42.747	0.002	0.002	0.000	0.000	0.000	0.000
183	A	253	GLY	0	0.043	0.011	44.597	0.001	0.001	0.000	0.000	0.000	0.000
184	A	254	VAL	0	-0.003	-0.006	46.052	0.001	0.001	0.000	0.000	0.000	0.000
185	A	255	CYS	0	-0.062	-0.027	47.802	0.002	0.002	0.000	0.000	0.000	0.000
186	A	256	GLU	-1	-0.907	-0.935	44.977	-0.034	-0.034	0.000	0.000	0.000	0.000
187	A	257	LEU	0	-0.021	-0.010	48.657	0.001	0.001	0.000	0.000	0.000	0.000
188	A	258	PHE	0	0.043	0.013	51.360	0.001	0.001	0.000	0.000	0.000	0.000
189	A	259	ARG	1	0.904	0.939	46.714	0.030	0.030	0.000	0.000	0.000	0.000
190	A	260	GLU	-1	-0.809	-0.865	50.013	-0.032	-0.032	0.000	0.000	0.000	0.000
191	A	261	TYR	0	-0.001	-0.039	53.285	0.001	0.001	0.000	0.000	0.000	0.000
192	A	262	LEU	0	0.047	0.025	56.573	0.001	0.001	0.000	0.000	0.000	0.000
193	A	263	ALA	0	0.023	0.019	55.569	0.001	0.001	0.000	0.000	0.000	0.000
194	A	264	THR	0	-0.092	-0.052	56.867	0.001	0.001	0.000	0.000	0.000	0.000
195	A	265	LYS	1	0.827	0.899	59.279	0.020	0.020	0.000	0.000	0.000	0.000
196	A	266	LYS	1	0.847	0.931	61.147	0.021	0.021	0.000	0.000	0.000	0.000
197	A	267	PHE	0	0.034	0.014	60.125	0.001	0.001	0.000	0.000	0.000	0.000
198	A	268	THR	0	-0.027	-0.005	59.935	-0.001	-0.001	0.000	0.000	0.000	0.000
199	A	269	GLU	-1	-0.853	-0.894	53.381	-0.023	-0.023	0.000	0.000	0.000	0.000
200	A	270	VAL	0	-0.018	-0.013	57.788	0.000	0.000	0.000	0.000	0.000	0.000
201	A	271	HIS	0	-0.063	-0.044	54.011	0.000	0.000	0.000	0.000	0.000	0.000
202	A	272	THR	0	-0.042	-0.049	58.053	0.001	0.001	0.000	0.000	0.000	0.000
203	A	273	PRO	0	-0.007	-0.004	59.294	0.000	0.000	0.000	0.000	0.000	0.000
204	A	274	LYS	1	0.843	0.897	56.873	0.015	0.015	0.000	0.000	0.000	0.000
205	A	275	LEU	0	-0.049	-0.009	59.568	0.000	0.000	0.000	0.000	0.000	0.000
206	A	276	LEU	0	0.039	0.019	62.302	0.000	0.000	0.000	0.000	0.000	0.000
207	A	277	GLY	0	0.035	0.001	66.042	0.000	0.000	0.000	0.000	0.000	0.000
208	A	278	ALA	0	0.002	-0.002	69.159	0.001	0.001	0.000	0.000	0.000	0.000
209	A	279	PRO	0	-0.035	-0.019	68.809	0.000	0.000	0.000	0.000	0.000	0.000
210	A	280	SER	0	-0.004	-0.018	69.617	0.000	0.000	0.000	0.000	0.000	0.000
211	A	281	GLU	-1	-0.789	-0.880	71.470	-0.009	-0.009	0.000	0.000	0.000	0.000
212	A	282	GLY	0	-0.045	-0.026	72.352	0.000	0.000	0.000	0.000	0.000	0.000
213	A	283	GLY	0	-0.001	0.014	73.889	0.000	0.000	0.000	0.000	0.000	0.000
214	A	284	SER	0	-0.024	-0.033	69.010	0.000	0.000	0.000	0.000	0.000	0.000
215	A	285	SER	0	-0.072	-0.037	64.894	0.001	0.001	0.000	0.000	0.000	0.000
216	A	286	VAL	0	0.040	0.009	64.913	0.000	0.000	0.000	0.000	0.000	0.000
217	A	287	PHE	0	-0.016	0.000	58.675	0.000	0.000	0.000	0.000	0.000	0.000
218	A	288	GLU	-1	-0.794	-0.865	62.665	-0.006	-0.006	0.000	0.000	0.000	0.000
219	A	289	VAL	0	-0.017	-0.009	60.161	0.000	0.000	0.000	0.000	0.000	0.000
220	A	290	THR	0	-0.014	-0.021	62.570	0.000	0.000	0.000	0.000	0.000	0.000
221	A	291	TYR	0	0.039	0.024	62.126	0.000	0.000	0.000	0.000	0.000	0.000
222	A	292	PHE	0	0.026	0.012	61.241	0.000	0.000	0.000	0.000	0.000	0.000
223	A	293	LYS	1	0.885	0.924	65.158	0.002	0.002	0.000	0.000	0.000	0.000
224	A	294	GLY	0	0.029	0.034	68.086	0.000	0.000	0.000	0.000	0.000	0.000
225	A	295	LYS	1	0.787	0.887	66.019	0.005	0.005	0.000	0.000	0.000	0.000
226	A	296	ALA	0	0.029	0.027	64.022	0.000	0.000	0.000	0.000	0.000	0.000
227	A	297	TYR	0	-0.030	-0.038	64.472	0.000	0.000	0.000	0.000	0.000	0.000
228	A	298	LEU	0	-0.008	-0.002	57.958	0.000	0.000	0.000	0.000	0.000	0.000
229	A	299	ALA	0	-0.003	0.005	60.996	0.000	0.000	0.000	0.000	0.000	0.000
230	A	300	GLN	0	0.015	0.003	60.933	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	301	SER	0	0.054	0.023	62.993	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	302	PRO	0	0.030	0.014	60.248	0.000	0.000	0.000	0.000	0.000	0.000
233	A	303	GLN	0	-0.015	-0.026	63.162	0.000	0.000	0.000	0.000	0.000	0.000
234	A	304	PHE	0	0.012	0.014	65.769	0.000	0.000	0.000	0.000	0.000	0.000
235	A	305	ASN	0	0.012	-0.007	63.214	0.001	0.001	0.000	0.000	0.000	0.000
236	A	306	LYS	1	0.741	0.871	61.097	0.015	0.015	0.000	0.000	0.000	0.000
237	A	307	GLN	0	0.083	0.047	65.897	0.000	0.000	0.000	0.000	0.000	0.000
238	A	308	GLN	0	0.005	0.003	69.010	0.000	0.000	0.000	0.000	0.000	0.000
239	A	309	LEU	0	-0.021	-0.001	63.944	0.000	0.000	0.000	0.000	0.000	0.000
240	A	310	ILE	0	-0.060	-0.026	67.746	0.000	0.000	0.000	0.000	0.000	0.000
241	A	311	VAL	0	-0.016	-0.004	70.435	0.000	0.000	0.000	0.000	0.000	0.000
242	A	312	ALA	0	-0.055	-0.012	69.706	0.000	0.000	0.000	0.000	0.000	0.000
243	A	313	ASP	-1	-0.899	-0.944	70.314	-0.012	-0.012	0.000	0.000	0.000	0.000
244	A	314	PHE	0	-0.038	-0.035	63.705	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	315	GLU	-1	-0.863	-0.920	66.598	-0.014	-0.014	0.000	0.000	0.000	0.000
246	A	316	ARG	1	0.853	0.919	64.619	0.017	0.017	0.000	0.000	0.000	0.000
247	A	317	VAL	0	0.012	0.018	62.456	0.000	0.000	0.000	0.000	0.000	0.000
248	A	318	TYR	0	-0.048	-0.068	54.288	0.000	0.000	0.000	0.000	0.000	0.000
249	A	319	GLU	-1	-0.719	-0.799	57.057	-0.016	-0.016	0.000	0.000	0.000	0.000
250	A	320	ILE	0	-0.002	-0.010	51.289	-0.001	-0.001	0.000	0.000	0.000	0.000
251	A	321	GLY	0	-0.011	-0.001	52.816	0.000	0.000	0.000	0.000	0.000	0.000
252	A	322	PRO	0	-0.030	0.001	52.470	0.000	0.000	0.000	0.000	0.000	0.000
253	A	323	VAL	0	-0.005	-0.004	54.326	0.001	0.001	0.000	0.000	0.000	0.000
254	A	324	PHE	0	-0.013	-0.003	54.934	0.000	0.000	0.000	0.000	0.000	0.000
255	A	325	ARG	1	0.842	0.908	58.801	0.013	0.013	0.000	0.000	0.000	0.000
256	A	326	ALA	0	0.045	0.028	60.010	0.000	0.000	0.000	0.000	0.000	0.000
257	A	327	GLU	-1	-0.813	-0.902	62.093	-0.011	-0.011	0.000	0.000	0.000	0.000
258	A	328	ASN	0	-0.044	-0.027	61.389	-0.001	-0.001	0.000	0.000	0.000	0.000
259	A	329	SER	0	0.016	0.017	60.621	0.000	0.000	0.000	0.000	0.000	0.000
260	A	330	ASN	0	-0.041	-0.026	55.193	0.000	0.000	0.000	0.000	0.000	0.000
261	A	331	THR	0	0.051	0.026	57.478	0.000	0.000	0.000	0.000	0.000	0.000
262	A	332	HIS	0	0.045	0.011	54.070	-0.001	-0.001	0.000	0.000	0.000	0.000
263	A	333	ARG	1	0.916	0.947	54.320	0.016	0.016	0.000	0.000	0.000	0.000
264	A	334	HIS	0	-0.021	0.003	56.630	0.000	0.000	0.000	0.000	0.000	0.000
265	A	335	MET	0	-0.019	-0.018	50.848	-0.001	-0.001	0.000	0.000	0.000	0.000
266	A	336	THR	0	0.008	0.004	55.110	0.000	0.000	0.000	0.000	0.000	0.000
267	A	337	GLU	-1	-0.910	-0.963	52.419	-0.015	-0.015	0.000	0.000	0.000	0.000
268	A	338	PHE	0	-0.077	-0.027	52.713	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	339	THR	0	0.012	-0.022	50.360	0.000	0.000	0.000	0.000	0.000	0.000
270	A	340	GLY	0	0.009	0.011	52.886	0.000	0.000	0.000	0.000	0.000	0.000
271	A	341	LEU	0	-0.028	-0.019	52.240	-0.001	-0.001	0.000	0.000	0.000	0.000
272	A	342	ASP	-1	-0.839	-0.917	56.423	-0.016	-0.016	0.000	0.000	0.000	0.000
273	A	343	MET	0	-0.022	-0.001	60.147	0.000	0.000	0.000	0.000	0.000	0.000
274	A	344	GLU	-1	-0.766	-0.893	62.525	-0.013	-0.013	0.000	0.000	0.000	0.000
275	A	345	MET	0	-0.041	-0.010	65.820	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	346	ALA	0	0.067	0.044	68.136	0.000	0.000	0.000	0.000	0.000	0.000
277	A	347	PHE	0	-0.101	-0.055	70.774	-0.001	-0.001	0.000	0.000	0.000	0.000
278	A	348	GLU	-1	-0.936	-0.966	73.311	-0.013	-0.013	0.000	0.000	0.000	0.000
279	A	349	GLU	-1	-0.986	-0.999	76.332	-0.012	-0.012	0.000	0.000	0.000	0.000
280	A	350	HIS	0	-0.066	-0.043	76.281	0.000	0.000	0.000	0.000	0.000	0.000
281	A	351	TYR	0	0.022	-0.010	72.642	0.000	0.000	0.000	0.000	0.000	0.000
282	A	352	HIS	1	0.827	0.910	71.863	0.014	0.014	0.000	0.000	0.000	0.000
283	A	353	GLU	-1	-0.716	-0.833	70.852	-0.015	-0.015	0.000	0.000	0.000	0.000
284	A	354	VAL	0	0.010	0.012	67.332	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	355	LEU	0	-0.038	-0.016	67.031	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	356	ASP	-1	-0.794	-0.880	66.884	-0.017	-0.017	0.000	0.000	0.000	0.000
287	A	357	THR	0	0.008	0.011	63.694	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	358	LEU	0	0.004	-0.006	62.401	-0.001	-0.001	0.000	0.000	0.000	0.000
289	A	359	SER	0	-0.067	-0.051	62.154	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	360	GLU	-1	-0.806	-0.859	61.682	-0.021	-0.021	0.000	0.000	0.000	0.000
291	A	361	LEU	0	-0.004	0.014	56.926	-0.001	-0.001	0.000	0.000	0.000	0.000
292	A	362	PHE	0	0.021	-0.004	57.051	-0.001	-0.001	0.000	0.000	0.000	0.000
293	A	363	VAL	0	0.021	0.019	57.154	-0.001	-0.001	0.000	0.000	0.000	0.000
294	A	364	PHE	0	-0.033	0.002	52.555	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	365	ILE	0	0.021	0.000	52.212	-0.002	-0.002	0.000	0.000	0.000	0.000
296	A	366	PHE	0	-0.019	-0.026	52.337	-0.002	-0.002	0.000	0.000	0.000	0.000
297	A	367	SER	0	0.005	-0.011	53.230	-0.001	-0.001	0.000	0.000	0.000	0.000
298	A	368	GLU	-1	-0.826	-0.885	49.647	-0.036	-0.036	0.000	0.000	0.000	0.000
299	A	369	LEU	0	-0.015	-0.011	47.600	-0.002	-0.002	0.000	0.000	0.000	0.000
300	A	370	PRO	0	-0.026	-0.019	46.867	-0.002	-0.002	0.000	0.000	0.000	0.000
301	A	371	LYS	1	0.826	0.906	46.439	0.031	0.031	0.000	0.000	0.000	0.000
302	A	372	ARG	1	0.704	0.811	44.406	0.033	0.033	0.000	0.000	0.000	0.000
303	A	373	PHE	0	-0.005	0.013	41.810	-0.002	-0.002	0.000	0.000	0.000	0.000
304	A	374	ALA	0	0.046	0.035	42.678	0.000	0.000	0.000	0.000	0.000	0.000
305	A	375	HIS	0	-0.055	-0.019	34.982	0.001	0.001	0.000	0.000	0.000	0.000
306	A	376	GLU	-1	-0.809	-0.917	37.777	-0.056	-0.056	0.000	0.000	0.000	0.000
307	A	377	ILE	0	0.033	0.018	40.433	0.001	0.001	0.000	0.000	0.000	0.000
308	A	378	GLU	-1	-0.778	-0.869	41.772	-0.043	-0.043	0.000	0.000	0.000	0.000
309	A	379	LEU	0	-0.067	-0.014	35.917	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	380	VAL	0	-0.002	-0.016	39.874	0.000	0.000	0.000	0.000	0.000	0.000
311	A	381	ARG	1	0.861	0.919	42.217	0.038	0.038	0.000	0.000	0.000	0.000
312	A	382	LYS	1	0.789	0.880	38.451	0.052	0.052	0.000	0.000	0.000	0.000
313	A	383	GLN	0	-0.043	-0.011	38.206	0.001	0.001	0.000	0.000	0.000	0.000
314	A	384	TYR	0	0.023	0.016	42.709	0.003	0.003	0.000	0.000	0.000	0.000
315	A	385	PRO	0	0.015	0.024	46.109	0.000	0.000	0.000	0.000	0.000	0.000
316	A	386	VAL	0	0.037	0.021	48.003	0.002	0.002	0.000	0.000	0.000	0.000
317	A	387	GLU	-1	-0.840	-0.898	50.429	-0.026	-0.026	0.000	0.000	0.000	0.000
318	A	388	GLU	-1	-0.855	-0.933	52.393	-0.029	-0.029	0.000	0.000	0.000	0.000
319	A	389	PHE	0	-0.009	-0.005	53.087	0.001	0.001	0.000	0.000	0.000	0.000
320	A	390	LYS	1	0.849	0.924	54.876	0.025	0.025	0.000	0.000	0.000	0.000
321	A	391	LEU	0	0.030	0.015	56.215	0.001	0.001	0.000	0.000	0.000	0.000
322	A	392	PRO	0	0.046	0.030	59.645	0.000	0.000	0.000	0.000	0.000	0.000
323	A	393	LYS	1	0.800	0.866	58.678	0.025	0.025	0.000	0.000	0.000	0.000
324	A	394	ASP	-1	-0.916	-0.947	62.068	-0.021	-0.021	0.000	0.000	0.000	0.000
325	A	395	GLY	0	-0.009	0.002	62.388	0.000	0.000	0.000	0.000	0.000	0.000
326	A	396	LYN	0	-0.028	0.014	63.414	0.000	0.000	0.000	0.000	0.000	0.000
327	A	397	MET	0	-0.049	-0.028	63.575	0.000	0.000	0.000	0.000	0.000	0.000
328	A	398	VAL	0	0.005	-0.001	66.087	0.001	0.001	0.000	0.000	0.000	0.000
329	A	399	ARG	1	0.841	0.897	67.582	0.016	0.016	0.000	0.000	0.000	0.000
330	A	400	LEU	0	0.006	0.019	70.215	0.000	0.000	0.000	0.000	0.000	0.000
331	A	401	THR	0	-0.034	-0.058	72.926	0.000	0.000	0.000	0.000	0.000	0.000
332	A	402	TYR	0	0.002	-0.040	74.434	0.000	0.000	0.000	0.000	0.000	0.000
333	A	403	LYS	1	0.940	0.976	75.438	0.011	0.011	0.000	0.000	0.000	0.000
334	A	404	GLU	-1	-0.780	-0.855	75.817	-0.014	-0.014	0.000	0.000	0.000	0.000
335	A	405	GLY	0	0.011	0.002	73.645	0.000	0.000	0.000	0.000	0.000	0.000
336	A	406	ILE	0	0.026	0.009	74.346	0.000	0.000	0.000	0.000	0.000	0.000
337	A	407	GLU	-1	-0.983	-0.982	76.950	-0.012	-0.012	0.000	0.000	0.000	0.000
338	A	408	MET	0	0.012	0.025	71.327	0.000	0.000	0.000	0.000	0.000	0.000
339	A	409	LEU	0	-0.020	-0.010	71.226	0.000	0.000	0.000	0.000	0.000	0.000
340	A	410	ARG	1	0.765	0.852	74.966	0.011	0.011	0.000	0.000	0.000	0.000
341	A	411	ALA	0	-0.045	-0.017	77.639	0.000	0.000	0.000	0.000	0.000	0.000
342	A	412	ALA	0	-0.067	-0.030	73.578	0.000	0.000	0.000	0.000	0.000	0.000
343	A	413	GLY	0	-0.021	-0.010	75.184	0.000	0.000	0.000	0.000	0.000	0.000
344	A	414	LYS	1	0.782	0.882	70.394	0.014	0.014	0.000	0.000	0.000	0.000
345	A	415	GLU	-1	-0.953	-0.975	76.584	-0.009	-0.009	0.000	0.000	0.000	0.000
346	A	416	ILE	0	0.003	0.002	74.779	0.000	0.000	0.000	0.000	0.000	0.000
347	A	417	GLY	0	0.013	0.016	79.028	0.000	0.000	0.000	0.000	0.000	0.000
348	A	418	ASP	-1	-0.853	-0.911	80.313	-0.010	-0.010	0.000	0.000	0.000	0.000
349	A	419	PHE	0	-0.031	-0.038	80.194	0.000	0.000	0.000	0.000	0.000	0.000
350	A	420	GLU	-1	-0.858	-0.906	76.139	-0.011	-0.011	0.000	0.000	0.000	0.000
351	A	421	ASP	-1	-0.860	-0.929	72.492	-0.012	-0.012	0.000	0.000	0.000	0.000
352	A	422	LEU	0	-0.038	-0.016	70.907	0.000	0.000	0.000	0.000	0.000	0.000
353	A	423	SER	0	0.074	0.036	70.071	0.000	0.000	0.000	0.000	0.000	0.000
354	A	424	THR	0	0.011	-0.032	63.249	0.000	0.000	0.000	0.000	0.000	0.000
355	A	425	GLU	-1	-0.945	-0.950	65.928	-0.013	-0.013	0.000	0.000	0.000	0.000
356	A	426	ASN	0	0.072	0.025	67.598	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	427	GLU	-1	-0.801	-0.876	65.083	-0.016	-0.016	0.000	0.000	0.000	0.000
358	A	428	LYS	1	0.795	0.886	58.490	0.019	0.019	0.000	0.000	0.000	0.000
359	A	429	PHE	0	-0.032	-0.016	64.931	-0.001	-0.001	0.000	0.000	0.000	0.000
360	A	430	LEU	0	0.021	0.020	67.745	0.000	0.000	0.000	0.000	0.000	0.000
361	A	431	GLY	0	0.013	-0.008	64.613	0.000	0.000	0.000	0.000	0.000	0.000
362	A	432	LYS	1	0.925	0.976	63.099	0.018	0.018	0.000	0.000	0.000	0.000
363	A	433	LEU	0	-0.003	0.000	65.596	0.000	0.000	0.000	0.000	0.000	0.000
364	A	434	VAL	0	-0.012	-0.006	66.433	0.000	0.000	0.000	0.000	0.000	0.000
365	A	435	ARG	1	0.732	0.837	57.496	0.023	0.023	0.000	0.000	0.000	0.000
366	A	436	ASP	-1	-0.929	-0.981	64.790	-0.019	-0.019	0.000	0.000	0.000	0.000
367	A	437	LYS	1	0.804	0.893	66.632	0.015	0.015	0.000	0.000	0.000	0.000
368	A	438	TYR	0	-0.016	-0.024	67.339	0.000	0.000	0.000	0.000	0.000	0.000
369	A	439	ASP	-1	-0.836	-0.893	61.768	-0.024	-0.024	0.000	0.000	0.000	0.000
370	A	440	THR	0	0.002	-0.021	61.337	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	441	ASP	-1	-0.789	-0.880	57.711	-0.024	-0.024	0.000	0.000	0.000	0.000
372	A	442	PHE	0	-0.023	-0.021	59.430	0.000	0.000	0.000	0.000	0.000	0.000
373	A	443	TYR	0	0.020	0.018	61.450	0.000	0.000	0.000	0.000	0.000	0.000
374	A	444	ILE	0	0.017	0.012	64.907	0.000	0.000	0.000	0.000	0.000	0.000
375	A	445	LEU	0	-0.037	-0.003	67.454	0.000	0.000	0.000	0.000	0.000	0.000
376	A	446	ASP	-1	-0.751	-0.882	70.531	-0.014	-0.014	0.000	0.000	0.000	0.000
377	A	447	LYS	1	0.805	0.889	73.099	0.012	0.012	0.000	0.000	0.000	0.000
378	A	448	PHE	0	0.068	0.035	70.748	0.000	0.000	0.000	0.000	0.000	0.000
379	A	449	PRO	0	-0.004	0.003	75.957	0.000	0.000	0.000	0.000	0.000	0.000
380	A	450	LEU	0	-0.017	-0.011	77.805	0.000	0.000	0.000	0.000	0.000	0.000
381	A	451	GLU	-1	-0.840	-0.904	78.917	-0.009	-0.009	0.000	0.000	0.000	0.000
382	A	452	ILE	0	-0.030	0.000	74.455	0.000	0.000	0.000	0.000	0.000	0.000
383	A	453	ARG	1	0.810	0.875	69.953	0.013	0.013	0.000	0.000	0.000	0.000
384	A	454	PRO	0	0.015	0.006	71.313	0.000	0.000	0.000	0.000	0.000	0.000
385	A	455	PHE	0	0.071	0.047	73.752	0.000	0.000	0.000	0.000	0.000	0.000
386	A	456	TYR	0	0.016	0.008	69.617	0.000	0.000	0.000	0.000	0.000	0.000
387	A	457	THR	0	-0.042	-0.039	74.627	0.000	0.000	0.000	0.000	0.000	0.000
388	A	458	MET	0	0.005	0.008	76.081	0.000	0.000	0.000	0.000	0.000	0.000
389	A	459	PRO	0	0.011	-0.010	78.581	0.000	0.000	0.000	0.000	0.000	0.000
390	A	460	ASP	-1	-0.813	-0.890	80.864	-0.011	-0.011	0.000	0.000	0.000	0.000
391	A	461	PRO	0	-0.040	-0.021	81.933	0.000	0.000	0.000	0.000	0.000	0.000
392	A	462	ALA	0	-0.018	-0.007	84.261	0.000	0.000	0.000	0.000	0.000	0.000
393	A	463	ASN	0	-0.047	-0.043	84.666	0.000	0.000	0.000	0.000	0.000	0.000
394	A	464	PRO	0	0.068	0.039	84.278	0.000	0.000	0.000	0.000	0.000	0.000
395	A	465	LYS	1	0.813	0.901	84.420	0.009	0.009	0.000	0.000	0.000	0.000
396	A	466	TYR	0	-0.048	-0.009	79.825	0.000	0.000	0.000	0.000	0.000	0.000
397	A	467	SER	0	0.028	0.015	76.913	0.000	0.000	0.000	0.000	0.000	0.000
398	A	468	ASN	0	0.002	-0.001	76.382	0.000	0.000	0.000	0.000	0.000	0.000
399	A	469	SER	0	-0.031	-0.026	72.680	0.000	0.000	0.000	0.000	0.000	0.000
400	A	470	TYR	0	-0.037	-0.035	67.356	0.000	0.000	0.000	0.000	0.000	0.000
401	A	471	ASP	-1	-0.771	-0.815	66.884	-0.014	-0.014	0.000	0.000	0.000	0.000
402	A	472	PHE	0	-0.035	-0.019	62.604	0.000	0.000	0.000	0.000	0.000	0.000
403	A	473	PHE	0	0.017	-0.004	62.669	0.000	0.000	0.000	0.000	0.000	0.000
404	A	474	MET	0	-0.027	0.009	54.295	-0.001	-0.001	0.000	0.000	0.000	0.000
405	A	475	ARG	1	0.772	0.880	52.162	0.027	0.027	0.000	0.000	0.000	0.000
406	A	476	GLY	0	0.014	0.002	59.273	0.000	0.000	0.000	0.000	0.000	0.000
407	A	477	GLU	-1	-0.789	-0.857	58.483	-0.018	-0.018	0.000	0.000	0.000	0.000
408	A	478	GLU	-1	-0.781	-0.866	61.388	-0.017	-0.017	0.000	0.000	0.000	0.000
409	A	479	ILE	0	-0.091	-0.066	57.561	-0.001	-0.001	0.000	0.000	0.000	0.000
410	A	480	LEU	0	-0.005	0.010	59.926	0.000	0.000	0.000	0.000	0.000	0.000
411	A	481	SER	0	-0.007	-0.012	62.605	0.000	0.000	0.000	0.000	0.000	0.000
412	A	482	GLY	0	0.014	-0.016	65.932	0.000	0.000	0.000	0.000	0.000	0.000
413	A	483	ALA	0	-0.008	-0.013	68.344	0.000	0.000	0.000	0.000	0.000	0.000
414	A	484	GLN	0	0.040	0.024	71.368	0.000	0.000	0.000	0.000	0.000	0.000
415	A	485	ARG	1	0.786	0.893	68.308	0.013	0.013	0.000	0.000	0.000	0.000
416	A	486	ILE	0	-0.051	-0.026	74.572	0.000	0.000	0.000	0.000	0.000	0.000
417	A	487	HIS	0	0.014	0.014	76.866	0.000	0.000	0.000	0.000	0.000	0.000
418	A	488	ASP	-1	-0.813	-0.898	78.124	-0.009	-0.009	0.000	0.000	0.000	0.000
419	A	489	HIS	0	0.081	0.028	81.384	0.000	0.000	0.000	0.000	0.000	0.000
420	A	490	ALA	0	-0.033	-0.018	82.317	0.000	0.000	0.000	0.000	0.000	0.000
421	A	491	LEU	0	-0.001	-0.012	82.512	0.000	0.000	0.000	0.000	0.000	0.000
422	A	492	LEU	0	0.021	0.018	77.127	0.000	0.000	0.000	0.000	0.000	0.000
423	A	493	GLN	0	0.004	-0.018	81.112	0.000	0.000	0.000	0.000	0.000	0.000
424	A	494	GLU	-1	-0.897	-0.923	83.364	-0.008	-0.008	0.000	0.000	0.000	0.000
425	A	495	ARG	1	0.874	0.915	80.823	0.009	0.009	0.000	0.000	0.000	0.000
426	A	496	MET	0	-0.014	-0.003	78.413	0.000	0.000	0.000	0.000	0.000	0.000
427	A	497	LYS	1	0.871	0.943	80.992	0.007	0.007	0.000	0.000	0.000	0.000
428	A	498	ALA	0	-0.063	-0.023	83.930	0.000	0.000	0.000	0.000	0.000	0.000
429	A	499	HIS	0	-0.041	-0.020	77.448	0.000	0.000	0.000	0.000	0.000	0.000
430	A	500	GLY	0	-0.049	-0.012	80.556	0.000	0.000	0.000	0.000	0.000	0.000
431	A	501	LEU	0	-0.029	-0.008	76.610	0.000	0.000	0.000	0.000	0.000	0.000
432	A	502	SER	0	0.026	0.003	80.625	0.000	0.000	0.000	0.000	0.000	0.000
433	A	503	PRO	0	-0.032	-0.023	80.332	0.000	0.000	0.000	0.000	0.000	0.000
434	A	504	GLU	-1	-0.845	-0.929	80.229	-0.007	-0.007	0.000	0.000	0.000	0.000
435	A	505	ASP	-1	-0.884	-0.937	77.915	-0.006	-0.006	0.000	0.000	0.000	0.000
436	A	506	PRO	0	-0.055	-0.048	75.365	0.000	0.000	0.000	0.000	0.000	0.000
437	A	507	GLY	0	-0.021	0.009	72.846	0.000	0.000	0.000	0.000	0.000	0.000
438	A	508	LEU	0	-0.015	-0.027	72.794	0.000	0.000	0.000	0.000	0.000	0.000
439	A	509	LYS	1	0.799	0.903	75.290	0.007	0.007	0.000	0.000	0.000	0.000
440	A	510	ASP	-1	-0.850	-0.933	73.819	-0.008	-0.008	0.000	0.000	0.000	0.000
441	A	511	TYR	0	-0.064	-0.046	71.589	0.000	0.000	0.000	0.000	0.000	0.000
442	A	512	CYS	0	-0.004	0.000	74.359	0.000	0.000	0.000	0.000	0.000	0.000
443	A	513	ASP	-1	-0.847	-0.909	77.843	-0.007	-0.007	0.000	0.000	0.000	0.000
444	A	514	GLY	0	0.026	0.035	75.487	0.000	0.000	0.000	0.000	0.000	0.000
445	A	515	PHE	0	0.002	-0.018	73.658	0.000	0.000	0.000	0.000	0.000	0.000
446	A	516	SER	0	-0.129	-0.072	78.507	0.000	0.000	0.000	0.000	0.000	0.000
447	A	517	TYR	0	-0.046	-0.025	76.284	0.000	0.000	0.000	0.000	0.000	0.000
448	A	518	GLY	0	0.000	0.020	79.857	0.000	0.000	0.000	0.000	0.000	0.000
449	A	519	CYS	0	-0.032	-0.028	75.191	0.000	0.000	0.000	0.000	0.000	0.000
450	A	520	PRO	0	0.036	0.042	73.845	0.000	0.000	0.000	0.000	0.000	0.000
451	A	521	PRO	0	0.010	0.015	75.803	0.000	0.000	0.000	0.000	0.000	0.000
452	A	522	HIS	0	0.033	0.010	71.161	0.000	0.000	0.000	0.000	0.000	0.000
453	A	523	ALA	0	0.016	-0.003	70.759	0.000	0.000	0.000	0.000	0.000	0.000
454	A	524	GLY	0	0.054	0.034	66.671	0.000	0.000	0.000	0.000	0.000	0.000
455	A	525	GLY	0	-0.002	0.007	64.892	0.000	0.000	0.000	0.000	0.000	0.000
456	A	526	GLY	0	0.034	0.019	60.892	0.000	0.000	0.000	0.000	0.000	0.000
457	A	527	ILE	0	-0.013	0.003	54.972	0.000	0.000	0.000	0.000	0.000	0.000
458	A	528	GLY	0	0.031	0.015	55.833	0.000	0.000	0.000	0.000	0.000	0.000
459	A	529	LEU	0	-0.006	-0.002	48.503	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	530	GLU	-1	-0.809	-0.912	49.463	-0.023	-0.023	0.000	0.000	0.000	0.000
461	A	531	ARG	1	0.753	0.871	51.153	0.017	0.017	0.000	0.000	0.000	0.000
462	A	532	VAL	0	0.072	0.035	52.705	0.000	0.000	0.000	0.000	0.000	0.000
463	A	533	VAL	0	-0.022	-0.012	46.957	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	534	MET	0	-0.065	-0.019	49.896	-0.001	-0.001	0.000	0.000	0.000	0.000
465	A	535	PHE	0	0.014	-0.004	51.301	0.000	0.000	0.000	0.000	0.000	0.000
466	A	536	TYR	0	0.014	0.006	48.752	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	537	LEU	0	-0.032	-0.030	45.351	-0.001	-0.001	0.000	0.000	0.000	0.000
468	A	538	ASP	-1	-0.809	-0.887	48.649	-0.025	-0.025	0.000	0.000	0.000	0.000
469	A	539	LEU	0	-0.030	0.001	45.672	0.000	0.000	0.000	0.000	0.000	0.000
470	A	540	LYS	1	0.816	0.886	49.305	0.026	0.026	0.000	0.000	0.000	0.000
471	A	541	ASN	0	0.004	0.004	50.017	0.001	0.001	0.000	0.000	0.000	0.000
472	A	542	ILE	0	0.090	0.040	49.671	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	543	ARG	1	0.752	0.842	48.039	0.016	0.016	0.000	0.000	0.000	0.000
474	A	544	ARG	1	0.777	0.849	44.233	0.026	0.026	0.000	0.000	0.000	0.000
475	A	545	ALA	0	0.022	0.023	44.882	-0.002	-0.002	0.000	0.000	0.000	0.000
476	A	546	SER	0	0.077	0.035	46.431	0.000	0.000	0.000	0.000	0.000	0.000
477	A	547	LEU	0	0.009	0.021	40.465	0.000	0.000	0.000	0.000	0.000	0.000
478	A	548	PHE	0	-0.026	-0.039	39.168	0.000	0.000	0.000	0.000	0.000	0.000
479	A	549	PRO	0	0.037	0.030	44.955	0.001	0.001	0.000	0.000	0.000	0.000
480	A	550	ARG	1	0.873	0.950	46.089	0.017	0.017	0.000	0.000	0.000	0.000
481	A	551	ASP	-1	-0.741	-0.861	51.515	-0.014	-0.014	0.000	0.000	0.000	0.000
482	A	552	PRO	0	0.017	0.010	54.460	0.000	0.000	0.000	0.000	0.000	0.000
483	A	553	LYS	1	0.868	0.940	54.289	0.010	0.010	0.000	0.000	0.000	0.000
484	A	554	ARG	1	0.738	0.851	46.077	0.015	0.015	0.000	0.000	0.000	0.000
485	A	555	LEU	0	0.078	0.033	50.399	-0.001	-0.001	0.000	0.000	0.000	0.000
486	A	556	ARG	1	0.904	0.950	45.351	0.008	0.008	0.000	0.000	0.000	0.000
487	A	557	PRO	0	0.057	0.053	41.579	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:71:ALA)