FMO DATABASE

FMODB ID: 7261K

Calculation Name: 2E1V-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2E1V

Chain ID: A

ChEMBL ID:

UniProt ID: A4PHY4

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	444
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-8410241.690573
FMO2-HF: Nuclear repulsion	8234596.195142
FMO2-HF: Total energy	-175645.495431
FMO2-MP2: Total energy	-176154.878513

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:6:ILE)

Summations of interaction energy for fragment #1(A:6:ILE)

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.
-4.638	1.329	1.12	-2.335	-4.752	-0.005

Interaction energy analysis for fragmet #1(A:6:ILE)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.031 / q_NPA : 0.001

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	8	THR	0	-0.055	-0.032	3.774	0.567	2.368	-0.014	-0.902	-0.886	0.002
4	A	9	VAL	0	0.000	-0.003	6.459	-0.295	-0.295	0.000	0.000	0.000	0.000
5	A	10	LEU	0	-0.023	-0.008	10.170	0.041	0.041	0.000	0.000	0.000	0.000
6	A	11	GLU	-1	-0.794	-0.888	12.459	-0.007	-0.007	0.000	0.000	0.000	0.000
7	A	12	GLN	0	0.007	0.025	13.198	-0.044	-0.044	0.000	0.000	0.000	0.000
8	A	13	SER	0	-0.028	-0.020	16.642	0.000	0.000	0.000	0.000	0.000	0.000
9	A	14	GLN	0	0.037	0.019	19.874	-0.005	-0.005	0.000	0.000	0.000	0.000
10	A	15	VAL	0	-0.010	0.005	22.473	-0.004	-0.004	0.000	0.000	0.000	0.000
11	A	16	SER	0	0.054	0.005	25.001	0.002	0.002	0.000	0.000	0.000	0.000
12	A	17	PRO	0	-0.017	0.003	28.575	-0.005	-0.005	0.000	0.000	0.000	0.000
13	A	18	PRO	0	-0.014	0.008	31.723	0.003	0.003	0.000	0.000	0.000	0.000
14	A	19	PRO	0	0.022	0.026	33.520	0.001	0.001	0.000	0.000	0.000	0.000
15	A	20	ASP	-1	-0.890	-0.952	36.268	-0.010	-0.010	0.000	0.000	0.000	0.000
16	A	21	THR	0	-0.099	-0.058	35.624	-0.002	-0.002	0.000	0.000	0.000	0.000
17	A	22	LEU	0	-0.051	-0.032	34.155	-0.001	-0.001	0.000	0.000	0.000	0.000
18	A	23	GLY	0	0.096	0.055	37.011	0.001	0.001	0.000	0.000	0.000	0.000
19	A	24	ASP	-1	-0.879	-0.944	37.852	0.001	0.001	0.000	0.000	0.000	0.000
20	A	25	LYS	1	0.860	0.937	37.428	0.012	0.012	0.000	0.000	0.000	0.000
21	A	26	SER	0	0.032	0.007	36.736	0.000	0.000	0.000	0.000	0.000	0.000
22	A	27	LEU	0	-0.083	-0.020	34.996	-0.002	-0.002	0.000	0.000	0.000	0.000
23	A	28	GLN	0	-0.007	-0.007	37.022	0.001	0.001	0.000	0.000	0.000	0.000
24	A	29	LEU	0	-0.012	-0.001	33.712	-0.002	-0.002	0.000	0.000	0.000	0.000
25	A	30	THR	0	-0.019	-0.021	37.608	0.001	0.001	0.000	0.000	0.000	0.000
26	A	31	PHE	0	0.062	0.004	37.590	0.000	0.000	0.000	0.000	0.000	0.000
27	A	32	PHE	0	0.013	0.007	36.255	0.000	0.000	0.000	0.000	0.000	0.000
28	A	33	ASP	-1	-0.773	-0.866	33.462	-0.022	-0.022	0.000	0.000	0.000	0.000
29	A	34	PHE	0	0.043	0.000	32.916	0.000	0.000	0.000	0.000	0.000	0.000
30	A	35	PHE	0	-0.037	-0.012	32.218	0.003	0.003	0.000	0.000	0.000	0.000
31	A	36	TRP	0	0.005	0.003	28.780	-0.001	-0.001	0.000	0.000	0.000	0.000
32	A	37	LEU	0	0.010	0.015	28.811	0.000	0.000	0.000	0.000	0.000	0.000
33	A	38	ARG	1	0.750	0.842	27.994	-0.013	-0.013	0.000	0.000	0.000	0.000
34	A	39	SER	0	-0.071	-0.036	25.600	0.000	0.000	0.000	0.000	0.000	0.000
35	A	40	PRO	0	0.012	0.017	20.417	0.004	0.004	0.000	0.000	0.000	0.000
36	A	41	PRO	0	-0.016	-0.018	18.119	-0.005	-0.005	0.000	0.000	0.000	0.000
37	A	42	ILE	0	-0.029	0.002	19.378	-0.007	-0.007	0.000	0.000	0.000	0.000
38	A	43	ASN	0	0.003	-0.020	14.940	0.007	0.007	0.000	0.000	0.000	0.000
39	A	44	ASN	0	-0.060	-0.037	16.662	-0.003	-0.003	0.000	0.000	0.000	0.000
40	A	45	LEU	0	0.054	0.040	10.743	0.000	0.000	0.000	0.000	0.000	0.000
41	A	46	PHE	0	-0.034	-0.025	15.146	0.031	0.031	0.000	0.000	0.000	0.000
42	A	47	PHE	0	0.033	0.021	10.529	-0.011	-0.011	0.000	0.000	0.000	0.000
43	A	48	TYR	0	-0.013	-0.034	15.827	0.043	0.043	0.000	0.000	0.000	0.000
44	A	49	GLU	-1	-0.743	-0.853	15.928	-0.305	-0.305	0.000	0.000	0.000	0.000
45	A	50	LEU	0	0.005	-0.010	17.290	0.032	0.032	0.000	0.000	0.000	0.000
46	A	51	PRO	0	0.011	0.027	17.299	-0.030	-0.030	0.000	0.000	0.000	0.000
47	A	52	ILE	0	-0.053	-0.025	14.997	0.024	0.024	0.000	0.000	0.000	0.000
48	A	53	THR	0	0.068	0.025	15.447	-0.034	-0.034	0.000	0.000	0.000	0.000
49	A	54	ARG	1	0.852	0.875	8.686	0.507	0.507	0.000	0.000	0.000	0.000
50	A	55	SER	0	0.025	0.033	15.219	0.010	0.010	0.000	0.000	0.000	0.000
51	A	56	GLN	0	0.025	0.031	18.930	0.015	0.015	0.000	0.000	0.000	0.000
52	A	57	PHE	0	0.029	0.000	14.480	0.002	0.002	0.000	0.000	0.000	0.000
53	A	58	THR	0	-0.022	-0.014	16.916	0.013	0.013	0.000	0.000	0.000	0.000
54	A	59	GLU	-1	-0.870	-0.963	18.842	-0.084	-0.084	0.000	0.000	0.000	0.000
55	A	60	THR	0	-0.056	-0.036	21.671	0.008	0.008	0.000	0.000	0.000	0.000
56	A	61	VAL	0	-0.026	0.006	18.146	0.006	0.006	0.000	0.000	0.000	0.000
57	A	62	VAL	0	0.016	0.010	17.482	0.007	0.007	0.000	0.000	0.000	0.000
58	A	63	PRO	0	-0.017	-0.007	20.148	0.011	0.011	0.000	0.000	0.000	0.000
59	A	64	ASN	0	0.034	0.020	23.873	0.014	0.014	0.000	0.000	0.000	0.000
60	A	65	ILE	0	-0.008	0.027	19.103	0.005	0.005	0.000	0.000	0.000	0.000
61	A	66	LYS	1	0.804	0.888	20.447	0.050	0.050	0.000	0.000	0.000	0.000
62	A	67	HIS	0	0.016	0.014	23.790	0.008	0.008	0.000	0.000	0.000	0.000
63	A	68	SER	0	0.036	-0.009	25.173	0.003	0.003	0.000	0.000	0.000	0.000
64	A	69	LEU	0	-0.022	0.019	22.427	0.005	0.005	0.000	0.000	0.000	0.000
65	A	70	SER	0	0.006	-0.016	26.102	0.005	0.005	0.000	0.000	0.000	0.000
66	A	71	ILE	0	-0.009	-0.015	28.587	0.004	0.004	0.000	0.000	0.000	0.000
67	A	72	THR	0	-0.025	-0.038	28.375	0.001	0.001	0.000	0.000	0.000	0.000
68	A	73	LEU	0	-0.003	-0.016	26.170	0.003	0.003	0.000	0.000	0.000	0.000
69	A	74	LYS	1	0.831	0.915	30.297	0.036	0.036	0.000	0.000	0.000	0.000
70	A	75	HIS	0	-0.028	-0.028	33.362	0.003	0.003	0.000	0.000	0.000	0.000
71	A	76	PHE	0	-0.043	-0.013	30.348	0.000	0.000	0.000	0.000	0.000	0.000
72	A	77	TYR	0	0.047	0.014	30.786	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	78	PRO	0	-0.011	-0.011	31.367	0.002	0.002	0.000	0.000	0.000	0.000
74	A	79	PHE	0	-0.014	-0.018	25.471	0.001	0.001	0.000	0.000	0.000	0.000
75	A	80	VAL	0	0.007	0.013	26.212	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	81	GLY	0	-0.005	0.000	28.141	0.006	0.006	0.000	0.000	0.000	0.000
77	A	82	LYS	1	0.745	0.862	25.913	-0.007	-0.007	0.000	0.000	0.000	0.000
78	A	83	LEU	0	0.017	0.014	29.007	-0.001	-0.001	0.000	0.000	0.000	0.000
79	A	84	VAL	0	0.009	-0.001	30.761	0.004	0.004	0.000	0.000	0.000	0.000
80	A	85	VAL	0	-0.002	0.003	32.038	-0.003	-0.003	0.000	0.000	0.000	0.000
81	A	86	TYR	0	0.006	-0.035	34.617	0.004	0.004	0.000	0.000	0.000	0.000
82	A	87	PRO	0	0.042	0.030	37.779	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	88	ALA	0	0.019	0.011	39.107	0.000	0.000	0.000	0.000	0.000	0.000
84	A	89	PRO	0	0.026	0.020	42.002	-0.001	-0.001	0.000	0.000	0.000	0.000
85	A	90	THR	0	-0.093	-0.060	42.996	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	91	LYS	1	0.873	0.957	40.621	-0.011	-0.011	0.000	0.000	0.000	0.000
87	A	92	LYS	1	0.847	0.906	40.374	0.004	0.004	0.000	0.000	0.000	0.000
88	A	93	PRO	0	0.005	0.007	34.901	0.000	0.000	0.000	0.000	0.000	0.000
89	A	94	GLU	-1	-0.792	-0.848	35.835	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	95	ILE	0	-0.033	-0.005	31.736	0.001	0.001	0.000	0.000	0.000	0.000
91	A	96	CYS	0	0.004	-0.004	33.448	0.000	0.000	0.000	0.000	0.000	0.000
92	A	97	TYR	0	-0.043	-0.018	31.639	0.000	0.000	0.000	0.000	0.000	0.000
93	A	98	VAL	0	-0.018	-0.003	33.370	0.000	0.000	0.000	0.000	0.000	0.000
94	A	99	GLU	-1	-0.906	-0.959	33.620	-0.002	-0.002	0.000	0.000	0.000	0.000
95	A	100	GLY	0	0.013	0.010	32.138	0.003	0.003	0.000	0.000	0.000	0.000
96	A	101	ASP	-1	-0.830	-0.887	29.493	0.010	0.010	0.000	0.000	0.000	0.000
97	A	102	SER	0	-0.025	-0.019	24.547	-0.003	-0.003	0.000	0.000	0.000	0.000
98	A	103	VAL	0	-0.041	-0.013	21.480	0.003	0.003	0.000	0.000	0.000	0.000
99	A	104	ALA	0	0.028	0.013	18.510	0.001	0.001	0.000	0.000	0.000	0.000
100	A	105	VAL	0	-0.002	-0.011	17.953	-0.016	-0.016	0.000	0.000	0.000	0.000
101	A	106	THR	0	0.001	0.002	11.722	0.014	0.014	0.000	0.000	0.000	0.000
102	A	107	PHE	0	0.020	0.004	13.884	-0.045	-0.045	0.000	0.000	0.000	0.000
103	A	108	ALA	0	0.016	0.003	8.481	0.077	0.077	0.000	0.000	0.000	0.000
104	A	109	GLU	-1	-0.763	-0.829	7.674	-0.629	-0.629	0.000	0.000	0.000	0.000
105	A	110	CYS	0	-0.009	0.012	3.562	-0.428	-0.078	0.010	-0.118	-0.242	0.000
106	A	111	ASN	0	-0.042	-0.058	3.473	0.485	1.097	0.015	-0.188	-0.439	0.000
107	A	112	LEU	0	0.026	0.014	2.457	-1.418	0.267	0.983	-0.406	-2.262	-0.001
108	A	113	ASP	-1	-0.794	-0.876	5.018	-0.381	-0.375	-0.001	-0.004	-0.001	0.000
109	A	114	LEU	0	0.017	0.009	8.829	-0.014	-0.014	0.000	0.000	0.000	0.000
110	A	115	ASN	0	-0.070	-0.051	10.487	0.074	0.074	0.000	0.000	0.000	0.000
111	A	116	GLU	-1	-0.935	-0.949	7.845	-0.437	-0.437	0.000	0.000	0.000	0.000
112	A	117	LEU	0	-0.052	-0.027	6.904	0.018	0.018	0.000	0.000	0.000	0.000
113	A	118	THR	0	-0.033	-0.034	11.020	0.057	0.057	0.000	0.000	0.000	0.000
114	A	119	GLY	0	0.026	0.026	14.417	0.040	0.040	0.000	0.000	0.000	0.000
115	A	120	ASN	0	0.019	-0.011	16.150	-0.017	-0.017	0.000	0.000	0.000	0.000
116	A	121	HIS	0	0.043	0.027	16.936	0.012	0.012	0.000	0.000	0.000	0.000
117	A	122	PRO	0	0.015	0.000	15.723	-0.022	-0.022	0.000	0.000	0.000	0.000
118	A	123	ARG	1	0.785	0.898	10.595	0.264	0.264	0.000	0.000	0.000	0.000
119	A	124	ASN	0	0.005	-0.001	7.894	-0.015	-0.015	0.000	0.000	0.000	0.000
120	A	125	CYS	0	-0.015	0.006	8.819	-0.082	-0.082	0.000	0.000	0.000	0.000
121	A	126	ASP	-1	-0.801	-0.917	6.815	-0.133	-0.133	0.000	0.000	0.000	0.000
122	A	127	LYS	1	0.834	0.921	4.199	0.202	0.383	-0.001	-0.016	-0.164	0.000
123	A	128	PHE	0	0.003	-0.004	5.259	-0.208	-0.199	-0.001	0.000	-0.008	0.000
124	A	129	TYR	0	-0.090	-0.074	7.059	0.073	0.073	0.000	0.000	0.000	0.000
125	A	130	ASP	-1	-0.869	-0.934	3.094	-3.339	-2.016	0.129	-0.701	-0.750	-0.006
126	A	131	LEU	0	-0.008	0.006	6.203	0.122	0.122	0.000	0.000	0.000	0.000
127	A	132	VAL	0	-0.045	-0.024	8.571	0.078	0.078	0.000	0.000	0.000	0.000
128	A	133	PRO	0	-0.007	0.041	11.436	0.036	0.036	0.000	0.000	0.000	0.000
129	A	134	ILE	0	0.061	0.026	13.085	-0.004	-0.004	0.000	0.000	0.000	0.000
130	A	135	LEU	0	-0.020	0.006	15.275	-0.006	-0.006	0.000	0.000	0.000	0.000
131	A	136	GLY	0	0.025	0.003	19.019	-0.003	-0.003	0.000	0.000	0.000	0.000
132	A	137	GLU	-1	-0.954	-0.972	20.238	0.087	0.087	0.000	0.000	0.000	0.000
133	A	138	SER	0	-0.055	-0.027	22.422	-0.008	-0.008	0.000	0.000	0.000	0.000
134	A	139	THR	0	0.022	0.009	25.978	0.004	0.004	0.000	0.000	0.000	0.000
135	A	140	ARG	1	0.842	0.913	26.726	-0.049	-0.049	0.000	0.000	0.000	0.000
136	A	141	LEU	0	-0.006	-0.010	31.250	0.002	0.002	0.000	0.000	0.000	0.000
137	A	142	SER	0	0.011	0.001	34.844	0.000	0.000	0.000	0.000	0.000	0.000
138	A	143	ASP	-1	-0.852	-0.927	38.275	0.015	0.015	0.000	0.000	0.000	0.000
139	A	144	CYS	0	-0.077	-0.039	35.557	-0.002	-0.002	0.000	0.000	0.000	0.000
140	A	145	ILE	0	-0.011	0.006	28.376	0.004	0.004	0.000	0.000	0.000	0.000
141	A	146	LYS	1	0.893	0.948	30.191	-0.015	-0.015	0.000	0.000	0.000	0.000
142	A	147	ILE	0	-0.014	-0.020	24.921	0.006	0.006	0.000	0.000	0.000	0.000
143	A	148	PRO	0	0.001	0.001	22.958	-0.006	-0.006	0.000	0.000	0.000	0.000
144	A	149	LEU	0	0.010	0.011	24.420	-0.002	-0.002	0.000	0.000	0.000	0.000
145	A	150	PHE	0	-0.022	-0.024	22.328	-0.009	-0.009	0.000	0.000	0.000	0.000
146	A	151	SER	0	-0.008	-0.008	17.811	0.004	0.004	0.000	0.000	0.000	0.000
147	A	152	VAL	0	0.001	-0.011	17.352	-0.016	-0.016	0.000	0.000	0.000	0.000
148	A	153	GLN	0	-0.032	-0.019	8.583	0.117	0.117	0.000	0.000	0.000	0.000
149	A	154	VAL	0	-0.026	-0.010	14.025	-0.025	-0.025	0.000	0.000	0.000	0.000
150	A	155	THR	0	0.042	0.018	7.786	0.044	0.044	0.000	0.000	0.000	0.000
151	A	156	LEU	0	-0.013	-0.001	11.048	-0.011	-0.011	0.000	0.000	0.000	0.000
152	A	157	PHE	0	0.066	0.025	6.837	-0.202	-0.202	0.000	0.000	0.000	0.000
153	A	158	PRO	0	0.005	0.002	8.679	0.140	0.140	0.000	0.000	0.000	0.000
154	A	159	ASN	0	-0.052	-0.034	11.640	0.010	0.010	0.000	0.000	0.000	0.000
155	A	160	GLN	0	-0.008	0.001	11.031	-0.042	-0.042	0.000	0.000	0.000	0.000
156	A	161	GLY	0	0.046	0.003	13.790	0.042	0.042	0.000	0.000	0.000	0.000
157	A	162	ILE	0	-0.052	-0.012	13.458	-0.036	-0.036	0.000	0.000	0.000	0.000
158	A	163	ALA	0	0.029	0.019	11.242	0.028	0.028	0.000	0.000	0.000	0.000
159	A	164	ILE	0	-0.007	0.001	13.042	-0.003	-0.003	0.000	0.000	0.000	0.000
160	A	165	GLY	0	0.031	0.025	13.588	-0.007	-0.007	0.000	0.000	0.000	0.000
161	A	166	ILE	0	-0.058	-0.041	14.517	0.032	0.032	0.000	0.000	0.000	0.000
162	A	167	THR	0	-0.008	-0.008	15.676	-0.014	-0.014	0.000	0.000	0.000	0.000
163	A	168	ASN	0	-0.046	-0.037	18.523	0.000	0.000	0.000	0.000	0.000	0.000
164	A	169	HIS	0	0.100	0.065	22.100	-0.005	-0.005	0.000	0.000	0.000	0.000
165	A	170	HIS	1	0.867	0.951	24.485	0.030	0.030	0.000	0.000	0.000	0.000
166	A	171	CYS	0	-0.043	-0.023	26.896	0.000	0.000	0.000	0.000	0.000	0.000
167	A	172	LEU	0	-0.009	0.019	26.143	0.001	0.001	0.000	0.000	0.000	0.000
168	A	173	GLY	0	0.005	-0.015	29.246	0.000	0.000	0.000	0.000	0.000	0.000
169	A	174	ASP	-1	-0.760	-0.853	28.797	-0.041	-0.041	0.000	0.000	0.000	0.000
170	A	175	ALA	0	-0.021	-0.019	27.797	-0.003	-0.003	0.000	0.000	0.000	0.000
171	A	176	SER	0	0.017	-0.017	28.799	-0.006	-0.006	0.000	0.000	0.000	0.000
172	A	177	THR	0	0.005	0.011	30.304	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	178	ARG	1	0.960	0.984	23.902	0.076	0.076	0.000	0.000	0.000	0.000
174	A	179	PHE	0	0.015	0.001	27.541	-0.003	-0.003	0.000	0.000	0.000	0.000
175	A	180	CYS	0	-0.103	-0.052	29.030	-0.001	-0.001	0.000	0.000	0.000	0.000
176	A	181	PHE	0	0.078	0.044	24.095	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	182	LEU	0	0.021	0.012	23.120	-0.002	-0.002	0.000	0.000	0.000	0.000
178	A	183	LYS	1	0.880	0.957	27.118	0.052	0.052	0.000	0.000	0.000	0.000
179	A	184	ALA	0	-0.010	0.010	30.337	-0.001	-0.001	0.000	0.000	0.000	0.000
180	A	185	TRP	0	0.033	0.016	20.492	-0.002	-0.002	0.000	0.000	0.000	0.000
181	A	186	THR	0	-0.029	-0.028	25.023	0.000	0.000	0.000	0.000	0.000	0.000
182	A	187	SER	0	-0.028	-0.019	27.397	-0.001	-0.001	0.000	0.000	0.000	0.000
183	A	188	ILE	0	-0.037	0.012	29.835	0.002	0.002	0.000	0.000	0.000	0.000
184	A	189	ALA	0	0.016	0.007	26.061	0.002	0.002	0.000	0.000	0.000	0.000
185	A	190	ARG	1	0.864	0.927	28.098	0.087	0.087	0.000	0.000	0.000	0.000
186	A	191	SER	0	-0.087	-0.046	29.793	0.003	0.003	0.000	0.000	0.000	0.000
187	A	192	GLY	0	0.013	0.011	30.961	0.005	0.005	0.000	0.000	0.000	0.000
188	A	193	ASN	0	-0.077	-0.059	27.873	0.000	0.000	0.000	0.000	0.000	0.000
189	A	194	ASN	0	0.028	-0.001	30.846	0.007	0.007	0.000	0.000	0.000	0.000
190	A	195	ASP	-1	-0.766	-0.868	34.302	-0.039	-0.039	0.000	0.000	0.000	0.000
191	A	196	GLU	-1	-0.871	-0.912	35.624	-0.037	-0.037	0.000	0.000	0.000	0.000
192	A	197	SER	0	0.017	-0.001	36.296	0.002	0.002	0.000	0.000	0.000	0.000
193	A	198	PHE	0	0.000	-0.002	34.498	0.000	0.000	0.000	0.000	0.000	0.000
194	A	199	LEU	0	-0.018	-0.014	36.615	0.002	0.002	0.000	0.000	0.000	0.000
195	A	200	ALA	0	-0.009	0.013	39.847	0.002	0.002	0.000	0.000	0.000	0.000
196	A	201	ASN	0	-0.027	-0.016	38.951	0.003	0.003	0.000	0.000	0.000	0.000
197	A	202	GLY	0	-0.002	0.014	36.856	-0.002	-0.002	0.000	0.000	0.000	0.000
198	A	203	THR	0	-0.083	-0.052	35.886	0.001	0.001	0.000	0.000	0.000	0.000
199	A	204	ARG	1	0.961	0.969	36.053	0.029	0.029	0.000	0.000	0.000	0.000
200	A	205	PRO	0	-0.016	0.004	34.914	0.000	0.000	0.000	0.000	0.000	0.000
201	A	206	LEU	0	-0.012	-0.006	37.191	0.002	0.002	0.000	0.000	0.000	0.000
202	A	207	TYR	0	0.014	-0.026	34.984	0.000	0.000	0.000	0.000	0.000	0.000
203	A	208	ASP	-1	-0.874	-0.920	39.786	-0.017	-0.017	0.000	0.000	0.000	0.000
204	A	209	ARG	1	0.788	0.877	37.497	0.017	0.017	0.000	0.000	0.000	0.000
205	A	210	ILE	0	-0.021	-0.018	42.967	0.001	0.001	0.000	0.000	0.000	0.000
206	A	211	ILE	0	-0.002	0.014	40.107	0.000	0.000	0.000	0.000	0.000	0.000
207	A	212	LYS	1	0.973	0.980	43.528	0.009	0.009	0.000	0.000	0.000	0.000
208	A	213	TYR	0	0.067	0.025	44.443	0.000	0.000	0.000	0.000	0.000	0.000
209	A	214	PRO	0	0.015	0.007	45.461	0.000	0.000	0.000	0.000	0.000	0.000
210	A	215	MET	0	0.030	0.010	45.981	0.001	0.001	0.000	0.000	0.000	0.000
211	A	216	LEU	0	0.032	0.016	43.081	0.001	0.001	0.000	0.000	0.000	0.000
212	A	217	ASP	-1	-0.806	-0.900	41.030	-0.008	-0.008	0.000	0.000	0.000	0.000
213	A	218	GLU	-1	-0.837	-0.905	40.849	0.002	0.002	0.000	0.000	0.000	0.000
214	A	219	ALA	0	0.017	0.010	42.344	0.001	0.001	0.000	0.000	0.000	0.000
215	A	220	TYR	0	0.010	-0.009	37.388	0.001	0.001	0.000	0.000	0.000	0.000
216	A	221	LEU	0	0.014	0.011	36.738	0.000	0.000	0.000	0.000	0.000	0.000
217	A	222	LYS	1	0.891	0.932	38.031	-0.003	-0.003	0.000	0.000	0.000	0.000
218	A	223	ARG	1	0.910	0.972	36.275	0.008	0.008	0.000	0.000	0.000	0.000
219	A	224	ALA	0	-0.029	-0.015	33.964	0.001	0.001	0.000	0.000	0.000	0.000
220	A	225	LYS	1	0.885	0.958	34.223	-0.006	-0.006	0.000	0.000	0.000	0.000
221	A	226	VAL	0	0.042	0.024	35.363	0.002	0.002	0.000	0.000	0.000	0.000
222	A	227	GLU	-1	-0.895	-0.951	36.348	0.011	0.011	0.000	0.000	0.000	0.000
223	A	228	SER	0	0.029	0.001	34.529	0.001	0.001	0.000	0.000	0.000	0.000
224	A	229	PHE	0	-0.008	0.001	28.623	0.003	0.003	0.000	0.000	0.000	0.000
225	A	230	ASN	0	-0.002	-0.030	31.106	0.001	0.001	0.000	0.000	0.000	0.000
226	A	231	GLU	-1	-0.971	-0.966	31.653	0.035	0.035	0.000	0.000	0.000	0.000
227	A	232	ASP	-1	-0.775	-0.870	29.992	0.028	0.028	0.000	0.000	0.000	0.000
228	A	233	TYR	0	-0.048	-0.015	22.827	0.000	0.000	0.000	0.000	0.000	0.000
229	A	234	VAL	0	0.044	0.021	22.882	0.007	0.007	0.000	0.000	0.000	0.000
230	A	235	THR	0	-0.015	-0.002	18.805	-0.005	-0.005	0.000	0.000	0.000	0.000
231	A	236	GLN	0	-0.004	-0.010	18.768	0.005	0.005	0.000	0.000	0.000	0.000
232	A	237	SER	0	0.006	-0.006	13.665	-0.023	-0.023	0.000	0.000	0.000	0.000
233	A	238	LEU	0	0.004	0.016	11.801	0.016	0.016	0.000	0.000	0.000	0.000
234	A	239	ALA	0	-0.003	-0.004	9.456	0.013	0.013	0.000	0.000	0.000	0.000
235	A	240	GLY	0	0.033	0.027	8.214	-0.046	-0.046	0.000	0.000	0.000	0.000
236	A	241	PRO	0	-0.042	-0.017	8.015	0.061	0.061	0.000	0.000	0.000	0.000
237	A	242	SER	0	0.012	-0.011	8.953	-0.007	-0.007	0.000	0.000	0.000	0.000
238	A	243	ASP	-1	-0.838	-0.897	11.175	-0.017	-0.017	0.000	0.000	0.000	0.000
239	A	244	LYS	1	0.832	0.895	13.107	0.007	0.007	0.000	0.000	0.000	0.000
240	A	245	LEU	0	0.026	0.006	12.493	-0.025	-0.025	0.000	0.000	0.000	0.000
241	A	246	ARG	1	0.821	0.870	12.224	0.206	0.206	0.000	0.000	0.000	0.000
242	A	247	ALA	0	-0.015	0.005	14.659	-0.020	-0.020	0.000	0.000	0.000	0.000
243	A	248	THR	0	-0.025	-0.022	17.539	-0.004	-0.004	0.000	0.000	0.000	0.000
244	A	249	PHE	0	0.066	0.044	20.124	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	250	ILE	0	0.014	-0.004	23.167	-0.002	-0.002	0.000	0.000	0.000	0.000
246	A	251	LEU	0	-0.023	0.011	26.366	0.006	0.006	0.000	0.000	0.000	0.000
247	A	252	THR	0	0.085	0.022	30.011	0.000	0.000	0.000	0.000	0.000	0.000
248	A	253	ARG	1	0.853	0.901	31.907	0.055	0.055	0.000	0.000	0.000	0.000
249	A	254	ALA	0	-0.028	-0.011	35.120	0.004	0.004	0.000	0.000	0.000	0.000
250	A	255	VAL	0	0.072	0.043	33.096	0.003	0.003	0.000	0.000	0.000	0.000
251	A	256	ILE	0	0.003	-0.006	32.002	0.004	0.004	0.000	0.000	0.000	0.000
252	A	257	ASN	0	-0.001	0.003	35.960	0.003	0.003	0.000	0.000	0.000	0.000
253	A	258	GLN	0	0.057	0.030	38.769	0.001	0.001	0.000	0.000	0.000	0.000
254	A	259	LEU	0	-0.016	0.004	34.654	0.003	0.003	0.000	0.000	0.000	0.000
255	A	260	LYS	1	0.861	0.914	38.827	0.045	0.045	0.000	0.000	0.000	0.000
256	A	261	ASP	-1	-0.884	-0.953	40.924	-0.034	-0.034	0.000	0.000	0.000	0.000
257	A	262	ARG	1	0.875	0.951	42.148	0.034	0.034	0.000	0.000	0.000	0.000
258	A	263	VAL	0	0.026	0.010	40.693	0.002	0.002	0.000	0.000	0.000	0.000
259	A	264	LEU	0	-0.019	-0.013	43.868	0.002	0.002	0.000	0.000	0.000	0.000
260	A	265	ALA	0	-0.017	-0.008	46.713	0.001	0.001	0.000	0.000	0.000	0.000
261	A	266	GLN	0	-0.074	-0.038	45.750	0.000	0.000	0.000	0.000	0.000	0.000
262	A	267	LEU	0	-0.033	-0.020	44.760	0.001	0.001	0.000	0.000	0.000	0.000
263	A	268	PRO	0	0.014	0.015	48.448	0.000	0.000	0.000	0.000	0.000	0.000
264	A	269	THR	0	-0.030	-0.022	50.528	0.000	0.000	0.000	0.000	0.000	0.000
265	A	270	LEU	0	-0.049	-0.003	43.261	0.001	0.001	0.000	0.000	0.000	0.000
266	A	271	GLU	-1	-0.871	-0.938	47.233	-0.020	-0.020	0.000	0.000	0.000	0.000
267	A	272	TYR	0	-0.047	-0.016	39.569	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	273	VAL	0	0.035	0.015	41.637	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	274	SER	0	-0.021	-0.016	38.224	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	275	SER	0	0.064	0.003	35.468	0.001	0.001	0.000	0.000	0.000	0.000
271	A	276	PHE	0	0.038	0.033	30.021	-0.002	-0.002	0.000	0.000	0.000	0.000
272	A	277	THR	0	0.069	0.038	33.632	-0.001	-0.001	0.000	0.000	0.000	0.000
273	A	278	VAL	0	-0.012	0.010	35.835	0.001	0.001	0.000	0.000	0.000	0.000
274	A	279	ALA	0	0.031	0.005	30.788	0.000	0.000	0.000	0.000	0.000	0.000
275	A	280	CYS	0	-0.061	-0.024	31.048	-0.002	-0.002	0.000	0.000	0.000	0.000
276	A	281	ALA	0	0.014	0.007	32.086	0.001	0.001	0.000	0.000	0.000	0.000
277	A	282	TYR	0	-0.033	-0.028	30.376	0.004	0.004	0.000	0.000	0.000	0.000
278	A	283	ILE	0	0.041	0.024	25.435	0.001	0.001	0.000	0.000	0.000	0.000
279	A	284	TRP	0	-0.010	-0.005	29.411	0.001	0.001	0.000	0.000	0.000	0.000
280	A	285	SER	0	0.005	-0.016	31.625	0.002	0.002	0.000	0.000	0.000	0.000
281	A	286	CYS	0	-0.051	-0.021	28.330	0.002	0.002	0.000	0.000	0.000	0.000
282	A	287	ILE	0	0.012	0.006	26.482	0.001	0.001	0.000	0.000	0.000	0.000
283	A	288	ALA	0	-0.020	-0.010	28.849	0.003	0.003	0.000	0.000	0.000	0.000
284	A	289	LYS	1	0.849	0.921	31.414	0.039	0.039	0.000	0.000	0.000	0.000
285	A	290	SER	0	0.012	0.020	26.318	0.002	0.002	0.000	0.000	0.000	0.000
286	A	291	ARG	1	0.829	0.912	26.839	0.019	0.019	0.000	0.000	0.000	0.000
287	A	292	ASN	0	-0.018	-0.005	29.683	0.003	0.003	0.000	0.000	0.000	0.000
288	A	293	ASP	-1	-0.747	-0.806	32.270	-0.014	-0.014	0.000	0.000	0.000	0.000
289	A	294	LYS	1	0.922	0.958	34.314	0.002	0.002	0.000	0.000	0.000	0.000
290	A	295	LEU	0	-0.039	-0.013	35.907	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	296	GLN	0	-0.024	-0.022	31.159	-0.002	-0.002	0.000	0.000	0.000	0.000
292	A	297	LEU	0	0.027	0.014	32.715	0.001	0.001	0.000	0.000	0.000	0.000
293	A	298	PHE	0	0.038	0.014	28.975	-0.002	-0.002	0.000	0.000	0.000	0.000
294	A	299	GLY	0	0.029	0.006	31.246	0.002	0.002	0.000	0.000	0.000	0.000
295	A	300	PHE	0	-0.003	0.003	30.620	-0.004	-0.004	0.000	0.000	0.000	0.000
296	A	301	PRO	0	0.020	0.018	29.328	0.004	0.004	0.000	0.000	0.000	0.000
297	A	302	ILE	0	-0.016	-0.014	32.485	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	303	ASP	-1	-0.838	-0.896	34.394	-0.036	-0.036	0.000	0.000	0.000	0.000
299	A	304	ARG	1	0.894	0.928	35.933	0.022	0.022	0.000	0.000	0.000	0.000
300	A	305	ARG	1	0.839	0.901	34.368	0.038	0.038	0.000	0.000	0.000	0.000
301	A	306	ALA	0	-0.003	-0.005	40.445	0.002	0.002	0.000	0.000	0.000	0.000
302	A	307	ARG	1	0.888	0.936	40.570	0.030	0.030	0.000	0.000	0.000	0.000
303	A	308	MET	0	-0.023	0.015	42.473	0.001	0.001	0.000	0.000	0.000	0.000
304	A	309	LYS	1	0.856	0.952	45.098	0.019	0.019	0.000	0.000	0.000	0.000
305	A	310	PRO	0	0.026	0.003	48.709	0.001	0.001	0.000	0.000	0.000	0.000
306	A	311	PRO	0	0.002	-0.011	45.414	0.000	0.000	0.000	0.000	0.000	0.000
307	A	312	ILE	0	-0.002	0.006	41.054	0.001	0.001	0.000	0.000	0.000	0.000
308	A	313	PRO	0	0.032	0.006	42.219	-0.002	-0.002	0.000	0.000	0.000	0.000
309	A	314	THR	0	0.006	-0.022	36.506	0.001	0.001	0.000	0.000	0.000	0.000
310	A	315	ALA	0	0.009	0.010	36.980	-0.002	-0.002	0.000	0.000	0.000	0.000
311	A	316	TYR	0	-0.036	-0.004	37.595	0.001	0.001	0.000	0.000	0.000	0.000
312	A	317	PHE	0	0.027	0.019	31.019	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	318	GLY	0	0.077	0.032	33.721	0.004	0.004	0.000	0.000	0.000	0.000
314	A	319	ASN	0	-0.091	-0.066	31.079	-0.007	-0.007	0.000	0.000	0.000	0.000
315	A	320	CYS	0	-0.044	-0.013	34.201	0.003	0.003	0.000	0.000	0.000	0.000
316	A	321	VAL	0	-0.035	-0.009	32.075	-0.002	-0.002	0.000	0.000	0.000	0.000
317	A	322	GLY	0	0.036	0.019	35.363	0.003	0.003	0.000	0.000	0.000	0.000
318	A	323	GLY	0	-0.018	-0.023	34.749	-0.003	-0.003	0.000	0.000	0.000	0.000
319	A	324	CYS	0	-0.058	0.003	35.347	0.002	0.002	0.000	0.000	0.000	0.000
320	A	325	ALA	0	0.057	0.017	35.093	-0.002	-0.002	0.000	0.000	0.000	0.000
321	A	326	ALA	0	0.001	0.022	36.101	0.001	0.001	0.000	0.000	0.000	0.000
322	A	327	ILE	0	0.055	0.017	36.372	-0.001	-0.001	0.000	0.000	0.000	0.000
323	A	328	ALA	0	0.003	0.004	37.788	0.000	0.000	0.000	0.000	0.000	0.000
324	A	329	LYS	1	0.980	0.992	37.895	0.012	0.012	0.000	0.000	0.000	0.000
325	A	330	THR	0	0.044	0.004	34.296	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	331	ASN	0	0.006	-0.015	37.081	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	332	LEU	0	-0.069	-0.027	39.947	0.000	0.000	0.000	0.000	0.000	0.000
328	A	333	LEU	0	0.034	0.028	34.903	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	334	ILE	0	0.021	0.026	35.307	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	335	GLY	0	0.011	0.007	36.843	0.001	0.001	0.000	0.000	0.000	0.000
331	A	336	LYS	1	0.971	0.979	37.449	0.030	0.030	0.000	0.000	0.000	0.000
332	A	337	GLU	-1	-0.784	-0.910	39.888	-0.025	-0.025	0.000	0.000	0.000	0.000
333	A	338	GLY	0	0.020	0.038	38.994	0.001	0.001	0.000	0.000	0.000	0.000
334	A	339	PHE	0	0.013	0.003	35.952	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	340	ILE	0	-0.004	0.000	37.965	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	341	THR	0	-0.029	-0.023	40.990	0.001	0.001	0.000	0.000	0.000	0.000
337	A	342	ALA	0	-0.013	-0.003	36.183	0.001	0.001	0.000	0.000	0.000	0.000
338	A	343	ALA	0	-0.005	-0.019	38.299	-0.001	-0.001	0.000	0.000	0.000	0.000
339	A	344	LYS	1	0.776	0.874	39.487	0.019	0.019	0.000	0.000	0.000	0.000
340	A	345	LEU	0	0.009	0.011	40.013	0.000	0.000	0.000	0.000	0.000	0.000
341	A	346	ILE	0	-0.028	-0.011	34.735	0.000	0.000	0.000	0.000	0.000	0.000
342	A	347	GLY	0	0.013	0.006	39.084	0.000	0.000	0.000	0.000	0.000	0.000
343	A	348	GLU	-1	-0.775	-0.884	41.973	-0.019	-0.019	0.000	0.000	0.000	0.000
344	A	349	ASN	0	0.040	0.011	40.480	0.001	0.001	0.000	0.000	0.000	0.000
345	A	350	LEU	0	-0.014	0.000	38.136	0.000	0.000	0.000	0.000	0.000	0.000
346	A	351	HIS	0	-0.047	-0.028	41.352	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	352	LYN	0	0.019	0.012	44.945	0.001	0.001	0.000	0.000	0.000	0.000
348	A	353	THR	0	-0.008	-0.015	39.922	0.001	0.001	0.000	0.000	0.000	0.000
349	A	354	LEU	0	-0.059	-0.041	40.607	0.000	0.000	0.000	0.000	0.000	0.000
350	A	355	THR	0	-0.042	-0.022	44.168	0.000	0.000	0.000	0.000	0.000	0.000
351	A	356	ASP	-1	-0.714	-0.847	45.669	-0.015	-0.015	0.000	0.000	0.000	0.000
352	A	357	TYR	0	-0.064	-0.048	39.411	-0.001	-0.001	0.000	0.000	0.000	0.000
353	A	358	LYS	1	0.773	0.888	45.530	0.018	0.018	0.000	0.000	0.000	0.000
354	A	359	ASP	-1	-0.814	-0.895	48.291	-0.016	-0.016	0.000	0.000	0.000	0.000
355	A	360	GLY	0	-0.002	0.006	48.844	0.001	0.001	0.000	0.000	0.000	0.000
356	A	361	VAL	0	-0.041	-0.012	45.568	0.001	0.001	0.000	0.000	0.000	0.000
357	A	362	LEU	0	-0.014	-0.009	43.879	-0.001	-0.001	0.000	0.000	0.000	0.000
358	A	363	LYS	1	0.813	0.909	42.320	0.011	0.011	0.000	0.000	0.000	0.000
359	A	364	ASP	-1	-0.749	-0.875	39.222	-0.015	-0.015	0.000	0.000	0.000	0.000
360	A	365	ASH	0	-0.106	-0.080	40.553	-0.002	-0.002	0.000	0.000	0.000	0.000
361	A	366	MET	0	-0.124	-0.072	42.420	0.001	0.001	0.000	0.000	0.000	0.000
362	A	367	GLU	-1	-0.871	-0.907	39.666	-0.012	-0.012	0.000	0.000	0.000	0.000
363	A	368	SER	0	-0.084	-0.039	42.296	0.000	0.000	0.000	0.000	0.000	0.000
364	A	369	PHE	0	-0.094	-0.051	37.566	0.001	0.001	0.000	0.000	0.000	0.000
365	A	370	ASN	0	-0.026	-0.013	39.961	0.000	0.000	0.000	0.000	0.000	0.000
366	A	371	ASP	-1	-0.697	-0.851	41.031	-0.005	-0.005	0.000	0.000	0.000	0.000
367	A	372	LEU	0	0.045	0.011	36.193	0.000	0.000	0.000	0.000	0.000	0.000
368	A	373	VAL	0	-0.068	-0.046	39.115	0.000	0.000	0.000	0.000	0.000	0.000
369	A	374	SER	0	-0.038	-0.011	41.149	0.001	0.001	0.000	0.000	0.000	0.000
370	A	375	GLU	-1	-0.967	-0.972	43.107	-0.007	-0.007	0.000	0.000	0.000	0.000
371	A	376	GLY	0	-0.036	-0.029	40.970	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	377	MET	0	-0.020	-0.005	36.207	0.000	0.000	0.000	0.000	0.000	0.000
373	A	378	PRO	0	-0.018	-0.010	33.340	0.000	0.000	0.000	0.000	0.000	0.000
374	A	379	THR	0	-0.032	-0.033	32.762	0.002	0.002	0.000	0.000	0.000	0.000
375	A	380	THR	0	-0.003	-0.014	28.253	0.000	0.000	0.000	0.000	0.000	0.000
376	A	381	MET	0	-0.007	-0.001	28.758	0.001	0.001	0.000	0.000	0.000	0.000
377	A	382	THR	0	-0.023	-0.013	26.353	-0.003	-0.003	0.000	0.000	0.000	0.000
378	A	383	TRP	0	0.008	0.009	26.689	0.003	0.003	0.000	0.000	0.000	0.000
379	A	384	VAL	0	-0.003	0.002	25.908	-0.006	-0.006	0.000	0.000	0.000	0.000
380	A	385	SER	0	-0.035	-0.022	22.517	0.005	0.005	0.000	0.000	0.000	0.000
381	A	386	GLY	0	0.030	0.001	23.970	-0.010	-0.010	0.000	0.000	0.000	0.000
382	A	387	THR	0	-0.003	-0.009	26.189	0.008	0.008	0.000	0.000	0.000	0.000
383	A	388	PRO	0	0.053	0.033	28.846	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	389	LYS	1	0.881	0.962	29.986	0.058	0.058	0.000	0.000	0.000	0.000
385	A	390	LEU	0	-0.046	-0.001	29.382	0.001	0.001	0.000	0.000	0.000	0.000
386	A	391	ARG	1	0.963	1.000	28.186	0.066	0.066	0.000	0.000	0.000	0.000
387	A	392	PHE	0	0.009	-0.019	23.690	0.000	0.000	0.000	0.000	0.000	0.000
388	A	393	TYR	0	0.063	0.004	20.525	-0.011	-0.011	0.000	0.000	0.000	0.000
389	A	394	ASP	-1	-0.842	-0.916	24.636	-0.092	-0.092	0.000	0.000	0.000	0.000
390	A	395	MET	0	-0.062	-0.019	23.850	0.007	0.007	0.000	0.000	0.000	0.000
391	A	396	ASP	-1	-0.754	-0.869	23.772	-0.136	-0.136	0.000	0.000	0.000	0.000
392	A	397	PHE	0	0.042	0.002	21.625	0.013	0.013	0.000	0.000	0.000	0.000
393	A	398	GLY	0	-0.033	-0.009	24.930	0.008	0.008	0.000	0.000	0.000	0.000
394	A	399	TRP	0	-0.061	-0.033	18.791	-0.008	-0.008	0.000	0.000	0.000	0.000
395	A	400	GLY	0	0.033	0.027	23.498	-0.005	-0.005	0.000	0.000	0.000	0.000
396	A	401	LYS	1	0.808	0.885	23.484	0.090	0.090	0.000	0.000	0.000	0.000
397	A	402	PRO	0	-0.043	-0.010	20.087	-0.007	-0.007	0.000	0.000	0.000	0.000
398	A	403	LYS	1	0.805	0.906	17.602	0.248	0.248	0.000	0.000	0.000	0.000
399	A	404	LYS	1	0.813	0.893	15.882	0.218	0.218	0.000	0.000	0.000	0.000
400	A	405	LEU	0	-0.038	-0.007	17.497	-0.011	-0.011	0.000	0.000	0.000	0.000
401	A	406	GLU	-1	-0.732	-0.842	13.354	-0.225	-0.225	0.000	0.000	0.000	0.000
402	A	407	THR	0	-0.033	-0.024	15.904	-0.003	-0.003	0.000	0.000	0.000	0.000
403	A	408	VAL	0	0.053	0.014	11.630	0.016	0.016	0.000	0.000	0.000	0.000
404	A	409	SER	0	0.036	0.019	14.774	0.009	0.009	0.000	0.000	0.000	0.000
405	A	410	ILE	0	-0.099	-0.041	17.191	0.016	0.016	0.000	0.000	0.000	0.000
406	A	411	ASP	-1	-0.750	-0.852	13.236	-0.132	-0.132	0.000	0.000	0.000	0.000
407	A	412	HIS	0	-0.028	0.005	16.403	0.009	0.009	0.000	0.000	0.000	0.000
408	A	413	ASN	0	-0.071	-0.049	18.371	0.009	0.009	0.000	0.000	0.000	0.000
409	A	414	GLY	0	0.046	0.041	21.516	-0.006	-0.006	0.000	0.000	0.000	0.000
410	A	415	ALA	0	-0.028	-0.017	22.066	0.001	0.001	0.000	0.000	0.000	0.000
411	A	416	ILE	0	0.025	0.023	21.980	-0.005	-0.005	0.000	0.000	0.000	0.000
412	A	417	SER	0	0.002	-0.003	20.733	0.000	0.000	0.000	0.000	0.000	0.000
413	A	418	ILE	0	-0.004	0.006	22.896	-0.005	-0.005	0.000	0.000	0.000	0.000
414	A	419	ASN	0	-0.022	-0.030	22.915	0.011	0.011	0.000	0.000	0.000	0.000
415	A	420	SER	0	-0.026	-0.034	26.232	0.000	0.000	0.000	0.000	0.000	0.000
416	A	421	CYS	0	0.015	0.043	25.340	-0.005	-0.005	0.000	0.000	0.000	0.000
417	A	422	LYS	1	0.768	0.862	25.681	0.098	0.098	0.000	0.000	0.000	0.000
418	A	423	GLU	-1	-0.823	-0.909	26.743	-0.101	-0.101	0.000	0.000	0.000	0.000
419	A	424	SER	0	0.010	-0.028	29.254	0.009	0.009	0.000	0.000	0.000	0.000
420	A	425	ASN	0	-0.045	-0.029	29.893	-0.007	-0.007	0.000	0.000	0.000	0.000
421	A	426	GLU	-1	-0.911	-0.943	31.963	-0.048	-0.048	0.000	0.000	0.000	0.000
422	A	427	ASP	-1	-0.801	-0.850	29.955	-0.069	-0.069	0.000	0.000	0.000	0.000
423	A	428	LEU	0	-0.043	-0.038	28.253	-0.001	-0.001	0.000	0.000	0.000	0.000
424	A	429	GLU	-1	-0.763	-0.861	21.316	-0.143	-0.143	0.000	0.000	0.000	0.000
425	A	430	ILE	0	-0.038	-0.038	23.967	0.005	0.005	0.000	0.000	0.000	0.000
426	A	431	GLY	0	-0.003	0.015	19.860	-0.004	-0.004	0.000	0.000	0.000	0.000
427	A	432	VAL	0	0.021	-0.008	19.019	0.013	0.013	0.000	0.000	0.000	0.000
428	A	434	ILE	0	0.005	0.008	17.103	0.015	0.015	0.000	0.000	0.000	0.000
429	A	435	SER	0	0.014	0.008	17.175	-0.010	-0.010	0.000	0.000	0.000	0.000
430	A	436	ALA	0	0.018	-0.001	16.024	-0.005	-0.005	0.000	0.000	0.000	0.000
431	A	437	THR	0	-0.020	-0.025	17.981	-0.002	-0.002	0.000	0.000	0.000	0.000
432	A	438	GLN	0	0.044	0.043	21.560	0.003	0.003	0.000	0.000	0.000	0.000
433	A	439	MET	0	-0.037	-0.004	17.658	-0.002	-0.002	0.000	0.000	0.000	0.000
434	A	440	GLU	-1	-0.902	-0.945	21.016	-0.049	-0.049	0.000	0.000	0.000	0.000
435	A	441	ASP	-1	-0.875	-0.931	22.895	-0.031	-0.031	0.000	0.000	0.000	0.000
436	A	442	PHE	0	-0.075	-0.055	23.256	-0.001	-0.001	0.000	0.000	0.000	0.000
437	A	443	VAL	0	-0.016	-0.012	21.662	-0.002	-0.002	0.000	0.000	0.000	0.000
438	A	444	HIS	0	0.012	0.018	24.753	0.000	0.000	0.000	0.000	0.000	0.000
439	A	445	ILE	0	-0.044	-0.021	28.185	0.002	0.002	0.000	0.000	0.000	0.000
440	A	446	PHE	0	-0.059	-0.033	26.825	0.002	0.002	0.000	0.000	0.000	0.000
441	A	447	ASP	-1	-0.840	-0.924	26.476	-0.072	-0.072	0.000	0.000	0.000	0.000
442	A	448	ASP	-1	-0.903	-0.948	29.652	-0.044	-0.044	0.000	0.000	0.000	0.000
443	A	449	GLY	0	-0.105	-0.039	32.237	0.003	0.003	0.000	0.000	0.000	0.000
444	A	450	LEU	0	-0.157	-0.084	30.534	0.004	0.004	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:6:ILE)