FMO DATABASE

FMODB ID: 52YNZ

Calculation Name: 1YBE-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1YBE

Chain ID: A

ChEMBL ID:

UniProt ID: Q8UIS9

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	OptH
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	426
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-8217405.979424
FMO2-HF: Nuclear repulsion	8045998.396186
FMO2-HF: Total energy	-171407.583238
FMO2-MP2: Total energy	-171909.188056

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:8:MET)

Summations of interaction energy for fragment #1(A:8:MET)

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.
-22.05	-15.228	4.054	-3.559	-7.317	0.017

Interaction energy analysis for fragmet #1(A:8:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.001 / q_NPA : -0.010

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	10	LYS	1	0.822	0.920	2.548	-6.286	-3.047	0.720	-1.402	-2.558	0.007
4	A	11	THR	0	-0.010	-0.016	2.973	-3.325	-1.734	0.260	-0.704	-1.146	0.008
5	A	12	ASP	-1	-0.896	-0.936	4.744	-2.259	-2.099	-0.001	-0.032	-0.126	0.000
6	A	13	ILE	0	-0.003	-0.015	7.097	-0.005	-0.005	0.000	0.000	0.000	0.000
7	A	14	ALA	0	0.016	0.015	8.667	-0.090	-0.090	0.000	0.000	0.000	0.000
8	A	15	THR	0	-0.064	-0.028	8.657	-0.160	-0.160	0.000	0.000	0.000	0.000
9	A	16	ARG	1	0.868	0.937	10.038	-0.169	-0.169	0.000	0.000	0.000	0.000
10	A	17	VAL	0	0.026	0.021	13.319	0.051	0.051	0.000	0.000	0.000	0.000
11	A	18	HIS	0	-0.050	-0.019	14.203	-0.072	-0.072	0.000	0.000	0.000	0.000
12	A	19	ASN	0	-0.074	-0.048	14.194	0.006	0.006	0.000	0.000	0.000	0.000
13	A	20	HIS	0	0.007	0.012	17.560	-0.017	-0.017	0.000	0.000	0.000	0.000
14	A	21	THR	0	0.008	0.004	20.027	-0.013	-0.013	0.000	0.000	0.000	0.000
15	A	22	TRP	0	0.025	0.008	14.766	0.008	0.008	0.000	0.000	0.000	0.000
16	A	23	LYS	1	0.967	0.992	16.978	0.064	0.064	0.000	0.000	0.000	0.000
17	A	24	LEU	0	0.063	0.037	19.028	0.018	0.018	0.000	0.000	0.000	0.000
18	A	25	ASP	-1	-0.944	-0.986	13.083	0.058	0.058	0.000	0.000	0.000	0.000
19	A	26	PRO	0	-0.029	-0.001	15.804	0.036	0.036	0.000	0.000	0.000	0.000
20	A	27	ILE	0	-0.017	-0.016	14.739	-0.016	-0.016	0.000	0.000	0.000	0.000
21	A	28	VAL	0	-0.006	0.000	15.127	0.007	0.007	0.000	0.000	0.000	0.000
22	A	29	ARG	1	0.890	0.958	10.859	-0.021	-0.021	0.000	0.000	0.000	0.000
23	A	30	SER	0	0.051	0.010	16.355	-0.009	-0.009	0.000	0.000	0.000	0.000
24	A	31	LEU	0	0.050	0.022	19.455	0.020	0.020	0.000	0.000	0.000	0.000
25	A	32	ILE	0	-0.002	0.002	19.498	0.012	0.012	0.000	0.000	0.000	0.000
26	A	33	ASP	-1	-0.799	-0.856	16.132	0.116	0.116	0.000	0.000	0.000	0.000
27	A	34	THR	0	0.021	-0.011	18.390	0.031	0.031	0.000	0.000	0.000	0.000
28	A	35	ASP	-1	-0.816	-0.909	20.378	0.129	0.129	0.000	0.000	0.000	0.000
29	A	36	PHE	0	0.019	-0.012	22.285	-0.012	-0.012	0.000	0.000	0.000	0.000
30	A	37	TYR	0	0.003	-0.009	24.294	-0.002	-0.002	0.000	0.000	0.000	0.000
31	A	38	LYS	1	0.746	0.858	25.638	-0.065	-0.065	0.000	0.000	0.000	0.000
32	A	39	LEU	0	0.010	0.011	24.516	-0.005	-0.005	0.000	0.000	0.000	0.000
33	A	40	LEU	0	-0.012	0.013	28.308	-0.004	-0.004	0.000	0.000	0.000	0.000
34	A	41	MET	0	0.005	0.019	30.147	-0.001	-0.001	0.000	0.000	0.000	0.000
35	A	42	LEU	0	-0.010	0.026	29.898	-0.001	-0.001	0.000	0.000	0.000	0.000
36	A	43	GLN	0	0.038	0.001	32.524	-0.006	-0.006	0.000	0.000	0.000	0.000
37	A	44	MET	0	0.001	-0.004	34.391	-0.001	-0.001	0.000	0.000	0.000	0.000
38	A	45	ILE	0	-0.039	-0.018	34.084	-0.001	-0.001	0.000	0.000	0.000	0.000
39	A	46	TRP	0	0.022	0.001	35.987	-0.001	-0.001	0.000	0.000	0.000	0.000
40	A	47	LYS	1	0.836	0.907	37.863	0.015	0.015	0.000	0.000	0.000	0.000
41	A	48	LEU	0	-0.096	-0.060	40.300	-0.001	-0.001	0.000	0.000	0.000	0.000
42	A	49	TYR	0	-0.086	-0.054	40.317	0.002	0.002	0.000	0.000	0.000	0.000
43	A	50	PRO	0	0.043	0.023	40.413	0.003	0.003	0.000	0.000	0.000	0.000
44	A	51	GLU	-1	-0.925	-0.972	41.489	0.006	0.006	0.000	0.000	0.000	0.000
45	A	52	VAL	0	-0.056	-0.012	40.959	0.002	0.002	0.000	0.000	0.000	0.000
46	A	53	ASP	-1	-0.894	-0.924	40.431	0.022	0.022	0.000	0.000	0.000	0.000
47	A	54	ALA	0	-0.007	-0.022	37.019	0.001	0.001	0.000	0.000	0.000	0.000
48	A	55	THR	0	-0.047	0.000	36.604	-0.001	-0.001	0.000	0.000	0.000	0.000
49	A	56	PHE	0	-0.050	-0.014	31.181	0.002	0.002	0.000	0.000	0.000	0.000
50	A	57	SER	0	0.053	-0.005	33.124	-0.002	-0.002	0.000	0.000	0.000	0.000
51	A	58	LEU	0	-0.043	-0.018	26.718	0.006	0.006	0.000	0.000	0.000	0.000
52	A	59	ILE	0	-0.019	-0.018	30.038	-0.003	-0.003	0.000	0.000	0.000	0.000
53	A	60	ASN	0	-0.008	-0.028	28.831	0.016	0.016	0.000	0.000	0.000	0.000
54	A	61	ARG	1	0.954	0.967	30.173	-0.115	-0.115	0.000	0.000	0.000	0.000
55	A	62	THR	0	-0.049	-0.011	28.804	-0.002	-0.002	0.000	0.000	0.000	0.000
56	A	63	LYS	1	1.010	1.002	31.022	-0.108	-0.108	0.000	0.000	0.000	0.000
57	A	64	THR	0	-0.100	-0.043	31.387	-0.002	-0.002	0.000	0.000	0.000	0.000
58	A	65	VAL	0	-0.001	-0.011	28.108	0.008	0.008	0.000	0.000	0.000	0.000
59	A	66	ARG	1	0.875	0.934	30.132	-0.129	-0.129	0.000	0.000	0.000	0.000
60	A	67	LEU	0	0.019	0.033	24.684	0.010	0.010	0.000	0.000	0.000	0.000
61	A	68	ALA	0	-0.033	-0.035	27.210	0.006	0.006	0.000	0.000	0.000	0.000
62	A	69	GLU	-1	-0.883	-0.949	28.910	0.136	0.136	0.000	0.000	0.000	0.000
63	A	70	GLU	-1	-0.969	-0.981	23.795	0.246	0.246	0.000	0.000	0.000	0.000
64	A	71	ILE	0	0.003	0.004	21.446	0.019	0.019	0.000	0.000	0.000	0.000
65	A	72	ASP	-1	-0.808	-0.854	24.502	0.117	0.117	0.000	0.000	0.000	0.000
66	A	73	GLU	-1	-0.875	-0.963	26.001	0.091	0.091	0.000	0.000	0.000	0.000
67	A	74	MET	0	-0.001	-0.020	27.894	-0.008	-0.008	0.000	0.000	0.000	0.000
68	A	75	GLU	-1	-0.865	-0.934	22.006	0.194	0.194	0.000	0.000	0.000	0.000
69	A	76	LEU	0	-0.047	-0.024	23.339	-0.003	-0.003	0.000	0.000	0.000	0.000
70	A	77	ARG	1	0.918	0.953	24.948	-0.086	-0.086	0.000	0.000	0.000	0.000
71	A	78	GLU	-1	-0.901	-0.934	23.238	0.088	0.088	0.000	0.000	0.000	0.000
72	A	79	GLN	0	-0.010	0.004	18.501	-0.020	-0.020	0.000	0.000	0.000	0.000
73	A	80	LEU	0	-0.022	-0.011	22.185	-0.011	-0.011	0.000	0.000	0.000	0.000
74	A	81	ASP	-1	-0.812	-0.905	24.983	0.042	0.042	0.000	0.000	0.000	0.000
75	A	82	HIS	0	-0.019	-0.002	19.550	-0.007	-0.007	0.000	0.000	0.000	0.000
76	A	83	ALA	0	0.007	0.024	22.503	-0.015	-0.015	0.000	0.000	0.000	0.000
77	A	84	ARG	1	0.892	0.946	23.480	-0.035	-0.035	0.000	0.000	0.000	0.000
78	A	85	THR	0	-0.116	-0.081	24.482	-0.010	-0.010	0.000	0.000	0.000	0.000
79	A	86	LEU	0	-0.058	-0.015	20.706	-0.014	-0.014	0.000	0.000	0.000	0.000
80	A	87	ARG	1	0.891	0.943	24.479	0.044	0.044	0.000	0.000	0.000	0.000
81	A	88	LEU	0	0.015	0.020	24.474	-0.011	-0.011	0.000	0.000	0.000	0.000
82	A	89	SER	0	-0.007	0.003	22.410	-0.011	-0.011	0.000	0.000	0.000	0.000
83	A	90	LYS	1	0.980	0.970	24.534	0.134	0.134	0.000	0.000	0.000	0.000
84	A	91	LYS	1	0.948	0.950	20.331	0.231	0.231	0.000	0.000	0.000	0.000
85	A	92	GLU	-1	-0.750	-0.860	20.260	-0.106	-0.106	0.000	0.000	0.000	0.000
86	A	93	ASN	0	-0.029	-0.003	23.652	0.007	0.007	0.000	0.000	0.000	0.000
87	A	94	ILE	0	-0.003	-0.019	26.324	0.003	0.003	0.000	0.000	0.000	0.000
88	A	95	TRP	0	0.037	0.025	20.750	0.012	0.012	0.000	0.000	0.000	0.000
89	A	96	LEU	0	-0.009	-0.006	24.779	0.005	0.005	0.000	0.000	0.000	0.000
90	A	97	ALA	0	-0.005	-0.010	26.756	0.006	0.006	0.000	0.000	0.000	0.000
91	A	98	GLY	0	-0.051	-0.019	28.351	0.005	0.005	0.000	0.000	0.000	0.000
92	A	99	ASN	0	0.007	0.025	23.225	-0.014	-0.014	0.000	0.000	0.000	0.000
93	A	100	THR	0	-0.066	-0.026	26.196	0.014	0.014	0.000	0.000	0.000	0.000
94	A	101	PHE	0	0.036	0.010	23.728	-0.001	-0.001	0.000	0.000	0.000	0.000
95	A	102	TYR	0	0.068	0.039	26.179	0.005	0.005	0.000	0.000	0.000	0.000
96	A	103	GLY	0	-0.008	-0.008	28.258	0.004	0.004	0.000	0.000	0.000	0.000
97	A	104	ARG	1	0.896	0.944	30.032	0.032	0.032	0.000	0.000	0.000	0.000
98	A	105	SER	0	0.063	0.020	30.757	-0.003	-0.003	0.000	0.000	0.000	0.000
99	A	106	GLN	0	0.003	-0.005	32.187	0.009	0.009	0.000	0.000	0.000	0.000
100	A	107	ILE	0	-0.004	0.023	28.847	0.004	0.004	0.000	0.000	0.000	0.000
101	A	108	PHE	0	-0.038	-0.003	27.654	0.007	0.007	0.000	0.000	0.000	0.000
102	A	109	GLU	-1	-0.790	-0.877	32.841	-0.029	-0.029	0.000	0.000	0.000	0.000
103	A	110	PRO	0	0.009	0.000	35.104	0.000	0.000	0.000	0.000	0.000	0.000
104	A	111	GLU	-1	-0.920	-0.968	36.136	-0.025	-0.025	0.000	0.000	0.000	0.000
105	A	112	PHE	0	0.051	0.033	30.979	0.001	0.001	0.000	0.000	0.000	0.000
106	A	113	LEU	0	0.013	-0.002	29.982	0.001	0.001	0.000	0.000	0.000	0.000
107	A	114	SER	0	-0.053	-0.019	32.420	-0.003	-0.003	0.000	0.000	0.000	0.000
108	A	115	TRP	0	0.027	0.011	32.316	-0.001	-0.001	0.000	0.000	0.000	0.000
109	A	116	LEU	0	0.021	0.002	27.865	0.002	0.002	0.000	0.000	0.000	0.000
110	A	117	SER	0	-0.070	-0.036	30.119	-0.003	-0.003	0.000	0.000	0.000	0.000
111	A	118	SER	0	-0.110	-0.060	30.937	-0.002	-0.002	0.000	0.000	0.000	0.000
112	A	119	TYR	0	-0.002	0.013	28.578	0.004	0.004	0.000	0.000	0.000	0.000
113	A	120	GLN	0	-0.025	-0.035	28.865	-0.010	-0.010	0.000	0.000	0.000	0.000
114	A	121	LEU	0	-0.009	0.015	24.858	0.003	0.003	0.000	0.000	0.000	0.000
115	A	122	PRO	0	0.040	0.034	29.282	-0.002	-0.002	0.000	0.000	0.000	0.000
116	A	123	GLU	-1	-0.953	-0.976	31.438	0.032	0.032	0.000	0.000	0.000	0.000
117	A	124	TYR	0	-0.083	-0.061	29.242	0.005	0.005	0.000	0.000	0.000	0.000
118	A	125	GLU	-1	-0.888	-0.940	32.949	0.057	0.057	0.000	0.000	0.000	0.000
119	A	126	LEU	0	-0.013	-0.017	29.049	0.005	0.005	0.000	0.000	0.000	0.000
120	A	127	PHE	0	0.014	0.014	33.177	-0.003	-0.003	0.000	0.000	0.000	0.000
121	A	128	LYS	1	0.890	0.964	31.545	-0.113	-0.113	0.000	0.000	0.000	0.000
122	A	129	ARG	1	0.872	0.920	34.644	-0.087	-0.087	0.000	0.000	0.000	0.000
123	A	130	ASP	-1	-0.844	-0.905	36.112	0.092	0.092	0.000	0.000	0.000	0.000
124	A	131	GLY	0	0.007	-0.010	33.114	0.005	0.005	0.000	0.000	0.000	0.000
125	A	132	GLN	0	0.117	0.073	31.113	0.016	0.016	0.000	0.000	0.000	0.000
126	A	133	TYR	0	-0.015	-0.047	27.440	-0.008	-0.008	0.000	0.000	0.000	0.000
127	A	134	GLU	-1	-0.916	-0.947	31.458	0.081	0.081	0.000	0.000	0.000	0.000
128	A	135	LEU	0	0.005	-0.009	27.321	-0.002	-0.002	0.000	0.000	0.000	0.000
129	A	136	ASN	0	-0.006	0.008	31.736	0.004	0.004	0.000	0.000	0.000	0.000
130	A	137	PHE	0	0.024	-0.002	28.094	-0.001	-0.001	0.000	0.000	0.000	0.000
131	A	138	HIS	1	0.883	0.942	33.734	-0.049	-0.049	0.000	0.000	0.000	0.000
132	A	139	GLY	0	0.087	0.037	36.717	-0.001	-0.001	0.000	0.000	0.000	0.000
133	A	140	ARG	1	0.981	1.007	38.524	-0.011	-0.011	0.000	0.000	0.000	0.000
134	A	141	TRP	0	-0.017	-0.026	34.793	0.000	0.000	0.000	0.000	0.000	0.000
135	A	142	MET	0	-0.030	-0.013	34.799	0.002	0.002	0.000	0.000	0.000	0.000
136	A	143	ASP	-1	-0.864	-0.950	33.606	0.008	0.008	0.000	0.000	0.000	0.000
137	A	144	THR	0	-0.021	-0.011	32.288	0.002	0.002	0.000	0.000	0.000	0.000
138	A	145	THR	0	-0.007	-0.030	30.634	0.009	0.009	0.000	0.000	0.000	0.000
139	A	146	LEU	0	-0.003	0.000	26.444	0.009	0.009	0.000	0.000	0.000	0.000
140	A	147	TRP	0	-0.014	-0.013	24.933	0.008	0.008	0.000	0.000	0.000	0.000
141	A	148	GLU	-1	-0.910	-0.959	26.012	0.103	0.103	0.000	0.000	0.000	0.000
142	A	149	ILE	0	-0.027	-0.009	20.611	0.016	0.016	0.000	0.000	0.000	0.000
143	A	150	PRO	0	0.047	0.017	20.898	0.023	0.023	0.000	0.000	0.000	0.000
144	A	151	ALA	0	0.050	0.028	21.383	0.015	0.015	0.000	0.000	0.000	0.000
145	A	152	LEU	0	-0.027	-0.015	22.332	0.014	0.014	0.000	0.000	0.000	0.000
146	A	153	SER	0	-0.011	0.000	17.604	0.033	0.033	0.000	0.000	0.000	0.000
147	A	154	ILE	0	-0.019	-0.007	18.066	0.031	0.031	0.000	0.000	0.000	0.000
148	A	155	ILE	0	0.027	0.014	19.696	0.017	0.017	0.000	0.000	0.000	0.000
149	A	156	ASN	0	-0.049	-0.021	17.616	0.026	0.026	0.000	0.000	0.000	0.000
150	A	157	GLU	-1	-0.822	-0.927	12.056	0.348	0.348	0.000	0.000	0.000	0.000
151	A	158	LEU	0	0.012	0.012	15.928	0.023	0.023	0.000	0.000	0.000	0.000
152	A	159	ARG	1	0.913	0.959	18.583	-0.338	-0.338	0.000	0.000	0.000	0.000
153	A	160	SER	0	-0.061	-0.037	14.109	-0.004	-0.004	0.000	0.000	0.000	0.000
154	A	161	ARG	1	0.872	0.920	13.273	-0.175	-0.175	0.000	0.000	0.000	0.000
155	A	162	SER	0	0.027	0.020	15.564	0.018	0.018	0.000	0.000	0.000	0.000
156	A	163	ALA	0	-0.088	-0.033	17.335	-0.002	-0.002	0.000	0.000	0.000	0.000
157	A	164	MET	0	-0.076	-0.055	11.522	0.048	0.048	0.000	0.000	0.000	0.000
158	A	165	ARG	1	0.890	0.964	14.757	-0.226	-0.226	0.000	0.000	0.000	0.000
159	A	166	SER	0	-0.014	-0.006	16.696	0.013	0.013	0.000	0.000	0.000	0.000
160	A	167	LEU	0	-0.041	-0.008	13.207	0.007	0.007	0.000	0.000	0.000	0.000
161	A	168	GLY	0	0.094	0.062	13.549	0.001	0.001	0.000	0.000	0.000	0.000
162	A	169	TYR	0	0.059	0.021	6.113	-0.090	-0.090	0.000	0.000	0.000	0.000
163	A	170	PHE	0	0.027	0.010	8.736	0.187	0.187	0.000	0.000	0.000	0.000
164	A	171	THR	0	-0.020	-0.033	10.163	0.012	0.012	0.000	0.000	0.000	0.000
165	A	172	LEU	0	0.041	0.015	7.793	0.024	0.024	0.000	0.000	0.000	0.000
166	A	173	ASP	-1	-0.837	-0.906	4.967	1.760	1.829	-0.001	-0.002	-0.065	0.000
167	A	174	VAL	0	0.001	0.008	6.949	-0.041	-0.041	0.000	0.000	0.000	0.000
168	A	175	LEU	0	-0.024	-0.010	10.139	-0.039	-0.039	0.000	0.000	0.000	0.000
169	A	176	TYR	0	-0.004	-0.044	5.707	-0.014	-0.014	0.000	0.000	0.000	0.000
170	A	177	ALA	0	-0.014	0.010	7.589	0.217	0.217	0.000	0.000	0.000	0.000
171	A	178	ARG	1	0.929	0.959	8.413	-0.650	-0.650	0.000	0.000	0.000	0.000
172	A	179	ALA	0	0.041	0.013	9.628	-0.111	-0.111	0.000	0.000	0.000	0.000
173	A	180	LYS	1	0.893	0.956	2.405	-10.183	-9.055	0.946	-0.678	-1.397	0.009
174	A	181	ALA	0	-0.001	0.009	9.374	-0.202	-0.202	0.000	0.000	0.000	0.000
175	A	182	LYS	1	0.918	0.954	12.440	-0.535	-0.535	0.000	0.000	0.000	0.000
176	A	183	MET	0	-0.096	-0.034	9.587	-0.117	-0.117	0.000	0.000	0.000	0.000
177	A	184	TRP	0	-0.004	-0.048	9.997	-0.082	-0.082	0.000	0.000	0.000	0.000
178	A	185	GLU	-1	-0.921	-0.953	12.789	0.284	0.284	0.000	0.000	0.000	0.000
179	A	186	LYS	1	0.779	0.877	16.188	-0.485	-0.485	0.000	0.000	0.000	0.000
180	A	187	VAL	0	0.000	0.007	12.664	-0.034	-0.034	0.000	0.000	0.000	0.000
181	A	188	GLU	-1	-0.848	-0.914	15.865	-0.001	-0.001	0.000	0.000	0.000	0.000
182	A	189	ARG	1	0.829	0.904	18.078	-0.178	-0.178	0.000	0.000	0.000	0.000
183	A	190	LEU	0	0.000	-0.003	17.837	-0.018	-0.018	0.000	0.000	0.000	0.000
184	A	191	ARG	1	0.890	0.952	14.609	0.050	0.050	0.000	0.000	0.000	0.000
185	A	192	GLU	-1	-0.981	-0.975	20.127	0.048	0.048	0.000	0.000	0.000	0.000
186	A	193	LEU	0	-0.092	-0.038	23.247	-0.005	-0.005	0.000	0.000	0.000	0.000
187	A	194	PRO	0	0.049	0.021	23.703	0.000	0.000	0.000	0.000	0.000	0.000
188	A	195	GLY	0	-0.021	-0.010	24.565	-0.006	-0.006	0.000	0.000	0.000	0.000
189	A	196	LEU	0	0.002	0.011	21.474	0.002	0.002	0.000	0.000	0.000	0.000
190	A	197	ARG	1	0.856	0.934	22.877	0.004	0.004	0.000	0.000	0.000	0.000
191	A	198	ILE	0	-0.024	-0.010	18.567	0.014	0.014	0.000	0.000	0.000	0.000
192	A	199	SER	0	0.017	0.023	18.774	-0.017	-0.017	0.000	0.000	0.000	0.000
193	A	200	ASP	-1	-0.773	-0.871	15.509	0.307	0.307	0.000	0.000	0.000	0.000
194	A	201	PHE	0	-0.009	-0.003	17.634	-0.031	-0.031	0.000	0.000	0.000	0.000
195	A	202	GLY	0	-0.075	-0.046	16.668	-0.002	-0.002	0.000	0.000	0.000	0.000
196	A	203	THR	0	0.091	0.031	16.441	0.053	0.053	0.000	0.000	0.000	0.000
197	A	204	ARG	1	0.920	0.969	17.506	-0.123	-0.123	0.000	0.000	0.000	0.000
198	A	205	ARG	1	0.947	0.966	19.011	-0.223	-0.223	0.000	0.000	0.000	0.000
199	A	206	ARG	1	0.767	0.869	13.099	-0.196	-0.196	0.000	0.000	0.000	0.000
200	A	207	HIS	0	-0.015	0.013	10.655	0.031	0.031	0.000	0.000	0.000	0.000
201	A	208	SER	0	0.025	-0.013	9.263	0.025	0.025	0.000	0.000	0.000	0.000
202	A	209	PHE	0	0.043	0.032	9.566	0.133	0.133	0.000	0.000	0.000	0.000
203	A	210	LEU	0	-0.004	-0.012	5.135	0.055	0.055	0.000	0.000	0.000	0.000
204	A	211	TRP	0	0.003	-0.002	6.374	0.870	0.870	0.000	0.000	0.000	0.000
205	A	212	GLN	0	0.050	0.031	7.804	0.153	0.153	0.000	0.000	0.000	0.000
206	A	213	ARG	1	0.983	0.987	5.342	0.750	0.750	0.000	0.000	0.000	0.000
207	A	214	TRP	0	-0.004	-0.007	2.817	-0.249	0.373	2.131	-0.738	-2.016	-0.007
208	A	215	CYS	0	-0.023	-0.016	5.926	-0.538	-0.525	-0.001	-0.003	-0.009	0.000
209	A	216	VAL	0	0.024	0.014	9.306	-0.199	-0.199	0.000	0.000	0.000	0.000
210	A	217	GLU	-1	-0.918	-0.960	5.529	-0.938	-0.938	0.000	0.000	0.000	0.000
211	A	218	ALA	0	-0.008	-0.016	7.649	-0.194	-0.194	0.000	0.000	0.000	0.000
212	A	219	LEU	0	0.019	0.007	8.795	-0.080	-0.080	0.000	0.000	0.000	0.000
213	A	220	LYS	1	0.896	0.960	10.290	0.458	0.458	0.000	0.000	0.000	0.000
214	A	221	GLU	-1	-0.978	-0.985	8.941	-0.707	-0.707	0.000	0.000	0.000	0.000
215	A	222	GLY	0	-0.008	-0.002	11.470	-0.004	-0.004	0.000	0.000	0.000	0.000
216	A	223	ILE	0	-0.046	-0.034	13.379	0.013	0.013	0.000	0.000	0.000	0.000
217	A	224	GLY	0	0.032	0.025	15.563	0.003	0.003	0.000	0.000	0.000	0.000
218	A	225	PRO	0	-0.008	-0.010	17.151	0.017	0.017	0.000	0.000	0.000	0.000
219	A	226	ALA	0	-0.007	0.008	19.673	0.011	0.011	0.000	0.000	0.000	0.000
220	A	227	PHE	0	-0.026	-0.018	14.497	0.035	0.035	0.000	0.000	0.000	0.000
221	A	228	THR	0	-0.019	-0.022	18.366	-0.020	-0.020	0.000	0.000	0.000	0.000
222	A	229	GLY	0	0.076	0.052	17.593	-0.015	-0.015	0.000	0.000	0.000	0.000
223	A	230	THR	0	-0.049	-0.065	15.582	0.039	0.039	0.000	0.000	0.000	0.000
224	A	231	SER	0	0.005	0.002	17.858	-0.022	-0.022	0.000	0.000	0.000	0.000
225	A	232	ASN	0	-0.059	-0.023	16.121	-0.047	-0.047	0.000	0.000	0.000	0.000
226	A	233	VAL	0	0.038	0.010	17.705	-0.022	-0.022	0.000	0.000	0.000	0.000
227	A	234	LEU	0	-0.002	0.012	14.259	-0.018	-0.018	0.000	0.000	0.000	0.000
228	A	235	LEU	0	-0.002	-0.014	11.311	-0.028	-0.028	0.000	0.000	0.000	0.000
229	A	236	ALA	0	-0.021	0.006	14.591	-0.047	-0.047	0.000	0.000	0.000	0.000
230	A	237	MET	0	-0.031	-0.024	17.203	-0.023	-0.023	0.000	0.000	0.000	0.000
231	A	238	ASP	-1	-0.944	-0.983	12.668	-0.300	-0.300	0.000	0.000	0.000	0.000
232	A	239	SER	0	-0.130	-0.074	11.581	-0.065	-0.065	0.000	0.000	0.000	0.000
233	A	240	ASP	-1	-0.929	-0.943	13.553	-0.319	-0.319	0.000	0.000	0.000	0.000
234	A	241	LEU	0	-0.082	-0.032	13.217	0.023	0.023	0.000	0.000	0.000	0.000
235	A	242	GLU	-1	-0.915	-0.963	17.600	-0.085	-0.085	0.000	0.000	0.000	0.000
236	A	243	ALA	0	0.008	0.001	20.117	0.020	0.020	0.000	0.000	0.000	0.000
237	A	244	VAL	0	-0.043	-0.027	21.096	0.000	0.000	0.000	0.000	0.000	0.000
238	A	245	GLY	0	0.003	-0.027	23.278	0.015	0.015	0.000	0.000	0.000	0.000
239	A	246	THR	0	-0.007	-0.002	26.021	-0.007	-0.007	0.000	0.000	0.000	0.000
240	A	247	ASN	0	-0.016	-0.013	29.751	0.003	0.003	0.000	0.000	0.000	0.000
241	A	248	ALA	0	0.010	-0.002	29.596	0.007	0.007	0.000	0.000	0.000	0.000
242	A	249	HIS	0	-0.024	-0.064	31.529	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	250	GLU	-1	-0.716	-0.815	31.515	0.046	0.046	0.000	0.000	0.000	0.000
244	A	251	LEU	0	0.048	0.009	34.360	-0.003	-0.003	0.000	0.000	0.000	0.000
245	A	252	PRO	0	-0.013	-0.002	36.581	-0.002	-0.002	0.000	0.000	0.000	0.000
246	A	253	MET	0	-0.046	-0.020	36.001	0.002	0.002	0.000	0.000	0.000	0.000
247	A	254	VAL	0	0.034	0.027	37.782	-0.001	-0.001	0.000	0.000	0.000	0.000
248	A	255	VAL	0	0.009	-0.001	40.370	-0.002	-0.002	0.000	0.000	0.000	0.000
249	A	256	ALA	0	-0.004	0.000	42.581	-0.002	-0.002	0.000	0.000	0.000	0.000
250	A	257	ALA	0	-0.022	-0.003	43.051	-0.001	-0.001	0.000	0.000	0.000	0.000
251	A	258	LEU	0	-0.059	-0.027	43.305	-0.001	-0.001	0.000	0.000	0.000	0.000
252	A	259	ALA	0	-0.042	-0.003	46.409	-0.002	-0.002	0.000	0.000	0.000	0.000
253	A	260	GLN	0	-0.023	-0.002	49.103	0.001	0.001	0.000	0.000	0.000	0.000
254	A	261	THR	0	0.002	-0.004	52.489	0.001	0.001	0.000	0.000	0.000	0.000
255	A	262	ASN	0	0.045	0.006	52.769	0.002	0.002	0.000	0.000	0.000	0.000
256	A	263	GLU	-1	-0.959	-0.969	52.906	0.014	0.014	0.000	0.000	0.000	0.000
257	A	264	GLU	-1	-0.832	-0.914	50.481	0.018	0.018	0.000	0.000	0.000	0.000
258	A	265	LEU	0	-0.020	-0.001	46.911	0.001	0.001	0.000	0.000	0.000	0.000
259	A	266	ALA	0	-0.014	-0.017	47.975	0.002	0.002	0.000	0.000	0.000	0.000
260	A	267	ALA	0	-0.006	0.001	48.617	0.000	0.000	0.000	0.000	0.000	0.000
261	A	268	ALA	0	0.033	0.019	44.654	-0.001	-0.001	0.000	0.000	0.000	0.000
262	A	269	PRO	0	-0.016	-0.003	42.624	0.000	0.000	0.000	0.000	0.000	0.000
263	A	270	TYR	0	-0.002	-0.041	42.441	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	271	GLN	0	-0.068	-0.041	44.506	-0.003	-0.003	0.000	0.000	0.000	0.000
265	A	272	VAL	0	0.025	0.017	39.537	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	273	LEU	0	-0.017	-0.008	39.144	-0.002	-0.002	0.000	0.000	0.000	0.000
267	A	274	LYS	1	0.932	0.967	41.188	-0.012	-0.012	0.000	0.000	0.000	0.000
268	A	275	ASP	-1	-0.815	-0.894	41.013	0.008	0.008	0.000	0.000	0.000	0.000
269	A	276	TRP	0	-0.015	-0.026	31.779	-0.002	-0.002	0.000	0.000	0.000	0.000
270	A	277	ASN	0	-0.007	-0.022	38.329	-0.005	-0.005	0.000	0.000	0.000	0.000
271	A	278	ARG	1	0.889	0.965	40.505	-0.001	-0.001	0.000	0.000	0.000	0.000
272	A	279	LEU	0	-0.034	-0.001	36.773	-0.003	-0.003	0.000	0.000	0.000	0.000
273	A	280	TYR	0	-0.039	-0.022	33.581	-0.007	-0.007	0.000	0.000	0.000	0.000
274	A	281	GLY	0	0.098	0.035	35.903	0.002	0.002	0.000	0.000	0.000	0.000
275	A	282	GLY	0	-0.039	-0.025	35.037	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	283	ASN	0	0.041	0.005	30.592	0.008	0.008	0.000	0.000	0.000	0.000
277	A	284	LEU	0	0.008	0.020	29.688	0.005	0.005	0.000	0.000	0.000	0.000
278	A	285	LEU	0	-0.070	-0.003	32.759	0.005	0.005	0.000	0.000	0.000	0.000
279	A	286	ILE	0	-0.033	-0.021	31.344	0.001	0.001	0.000	0.000	0.000	0.000
280	A	287	VAL	0	0.024	0.005	34.595	0.001	0.001	0.000	0.000	0.000	0.000
281	A	288	LEU	0	-0.034	-0.008	32.494	0.004	0.004	0.000	0.000	0.000	0.000
282	A	289	PRO	0	-0.019	-0.030	35.516	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	290	ASP	-1	-0.732	-0.811	35.366	0.066	0.066	0.000	0.000	0.000	0.000
284	A	291	ALA	0	-0.071	-0.026	37.966	0.002	0.002	0.000	0.000	0.000	0.000
285	A	292	PHE	0	-0.014	-0.019	38.767	0.002	0.002	0.000	0.000	0.000	0.000
286	A	293	GLY	0	0.110	0.074	41.104	-0.003	-0.003	0.000	0.000	0.000	0.000
287	A	294	THR	0	-0.017	-0.049	39.215	-0.005	-0.005	0.000	0.000	0.000	0.000
288	A	295	ALA	0	-0.077	-0.030	41.830	-0.004	-0.004	0.000	0.000	0.000	0.000
289	A	296	ALA	0	0.001	0.005	45.270	-0.003	-0.003	0.000	0.000	0.000	0.000
290	A	297	PHE	0	0.006	0.012	41.939	-0.003	-0.003	0.000	0.000	0.000	0.000
291	A	298	LEU	0	-0.013	-0.014	42.280	-0.003	-0.003	0.000	0.000	0.000	0.000
292	A	299	ARG	1	0.899	0.967	45.718	-0.032	-0.032	0.000	0.000	0.000	0.000
293	A	300	ASN	0	-0.037	-0.023	48.437	0.000	0.000	0.000	0.000	0.000	0.000
294	A	301	ALA	0	0.027	0.029	45.736	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	302	PRO	0	-0.044	-0.013	46.925	-0.002	-0.002	0.000	0.000	0.000	0.000
296	A	303	GLU	-1	-0.843	-0.929	47.630	0.006	0.006	0.000	0.000	0.000	0.000
297	A	304	TRP	0	-0.015	-0.004	43.441	0.000	0.000	0.000	0.000	0.000	0.000
298	A	305	VAL	0	-0.017	-0.006	42.208	-0.001	-0.001	0.000	0.000	0.000	0.000
299	A	306	ALA	0	-0.022	-0.012	42.470	0.001	0.001	0.000	0.000	0.000	0.000
300	A	307	ASP	-1	-0.894	-0.957	43.102	-0.001	-0.001	0.000	0.000	0.000	0.000
301	A	308	TRP	0	-0.054	-0.008	37.332	-0.002	-0.002	0.000	0.000	0.000	0.000
302	A	309	THR	0	-0.021	-0.019	34.246	0.000	0.000	0.000	0.000	0.000	0.000
303	A	310	GLY	0	0.017	-0.004	34.673	0.000	0.000	0.000	0.000	0.000	0.000
304	A	311	PHE	0	-0.007	0.010	34.986	0.000	0.000	0.000	0.000	0.000	0.000
305	A	312	ARG	1	0.874	0.947	29.275	-0.068	-0.068	0.000	0.000	0.000	0.000
306	A	313	PRO	0	-0.025	-0.002	32.830	0.001	0.001	0.000	0.000	0.000	0.000
307	A	314	ASP	-1	-0.879	-0.971	29.769	0.100	0.100	0.000	0.000	0.000	0.000
308	A	315	SER	0	0.008	-0.011	31.631	0.006	0.006	0.000	0.000	0.000	0.000
309	A	316	ALA	0	-0.013	0.008	34.186	0.002	0.002	0.000	0.000	0.000	0.000
310	A	317	PRO	0	-0.006	-0.003	34.005	0.005	0.005	0.000	0.000	0.000	0.000
311	A	318	PRO	0	0.046	0.019	30.631	-0.007	-0.007	0.000	0.000	0.000	0.000
312	A	319	ILE	0	0.056	0.027	33.335	-0.006	-0.006	0.000	0.000	0.000	0.000
313	A	320	GLU	-1	-0.850	-0.937	36.124	0.060	0.060	0.000	0.000	0.000	0.000
314	A	321	GLY	0	-0.001	-0.005	36.860	-0.005	-0.005	0.000	0.000	0.000	0.000
315	A	322	GLY	0	0.006	-0.012	36.270	-0.005	-0.005	0.000	0.000	0.000	0.000
316	A	323	GLU	-1	-0.741	-0.858	36.976	0.030	0.030	0.000	0.000	0.000	0.000
317	A	324	LYS	1	0.915	0.982	40.356	-0.043	-0.043	0.000	0.000	0.000	0.000
318	A	325	ILE	0	-0.016	-0.007	37.674	-0.003	-0.003	0.000	0.000	0.000	0.000
319	A	326	ILE	0	-0.022	-0.017	37.769	-0.005	-0.005	0.000	0.000	0.000	0.000
320	A	327	GLU	-1	-0.925	-0.956	41.554	0.019	0.019	0.000	0.000	0.000	0.000
321	A	328	TRP	0	0.020	-0.002	43.125	-0.003	-0.003	0.000	0.000	0.000	0.000
322	A	329	TRP	0	0.047	0.004	36.888	-0.002	-0.002	0.000	0.000	0.000	0.000
323	A	330	ARG	1	0.929	0.976	43.472	-0.015	-0.015	0.000	0.000	0.000	0.000
324	A	331	LYS	1	0.901	0.970	46.977	-0.023	-0.023	0.000	0.000	0.000	0.000
325	A	332	MET	0	-0.015	-0.003	47.040	-0.002	-0.002	0.000	0.000	0.000	0.000
326	A	333	GLY	0	-0.002	0.006	48.903	-0.002	-0.002	0.000	0.000	0.000	0.000
327	A	334	ARG	1	0.778	0.893	43.849	-0.006	-0.006	0.000	0.000	0.000	0.000
328	A	335	ASP	-1	-0.787	-0.896	42.619	0.003	0.003	0.000	0.000	0.000	0.000
329	A	336	PRO	0	0.033	0.020	39.859	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	337	ARG	1	0.907	0.956	38.070	0.003	0.003	0.000	0.000	0.000	0.000
331	A	338	THR	0	-0.139	-0.087	37.183	-0.003	-0.003	0.000	0.000	0.000	0.000
332	A	339	LYS	1	0.878	0.959	37.003	-0.006	-0.006	0.000	0.000	0.000	0.000
333	A	340	MET	0	-0.039	-0.023	29.198	0.001	0.001	0.000	0.000	0.000	0.000
334	A	341	LEU	0	-0.005	0.008	32.658	0.001	0.001	0.000	0.000	0.000	0.000
335	A	342	ILE	0	-0.022	-0.024	27.461	0.001	0.001	0.000	0.000	0.000	0.000
336	A	343	PHE	0	0.051	0.027	27.870	0.002	0.002	0.000	0.000	0.000	0.000
337	A	344	SER	0	-0.034	-0.039	25.387	0.000	0.000	0.000	0.000	0.000	0.000
338	A	345	ASP	-1	-0.819	-0.892	26.003	0.142	0.142	0.000	0.000	0.000	0.000
339	A	346	GLY	0	-0.154	-0.085	23.801	0.017	0.017	0.000	0.000	0.000	0.000
340	A	347	LEU	0	0.015	0.014	24.828	0.003	0.003	0.000	0.000	0.000	0.000
341	A	348	ASP	-1	-0.902	-0.936	22.446	0.200	0.200	0.000	0.000	0.000	0.000
342	A	349	VAL	0	0.051	-0.012	19.921	-0.013	-0.013	0.000	0.000	0.000	0.000
343	A	350	ASP	-1	-0.806	-0.879	22.954	0.140	0.140	0.000	0.000	0.000	0.000
344	A	351	ALA	0	0.028	0.016	26.509	-0.016	-0.016	0.000	0.000	0.000	0.000
345	A	352	ILE	0	-0.007	0.012	22.113	-0.015	-0.015	0.000	0.000	0.000	0.000
346	A	353	VAL	0	-0.035	-0.022	24.811	-0.016	-0.016	0.000	0.000	0.000	0.000
347	A	354	ASP	-1	-0.924	-0.962	27.157	0.066	0.066	0.000	0.000	0.000	0.000
348	A	355	THR	0	-0.009	-0.017	29.278	-0.010	-0.010	0.000	0.000	0.000	0.000
349	A	356	TYR	0	-0.039	-0.037	27.690	-0.011	-0.011	0.000	0.000	0.000	0.000
350	A	357	ARG	1	0.935	0.948	28.304	-0.062	-0.062	0.000	0.000	0.000	0.000
351	A	358	HIS	0	-0.025	0.010	31.975	-0.004	-0.004	0.000	0.000	0.000	0.000
352	A	359	PHE	0	-0.044	-0.031	33.294	-0.006	-0.006	0.000	0.000	0.000	0.000
353	A	360	GLU	-1	-0.908	-0.954	31.952	0.012	0.012	0.000	0.000	0.000	0.000
354	A	361	GLY	0	-0.032	-0.011	33.695	-0.002	-0.002	0.000	0.000	0.000	0.000
355	A	362	ARG	1	0.760	0.852	36.110	-0.033	-0.033	0.000	0.000	0.000	0.000
356	A	363	VAL	0	-0.053	-0.023	34.235	-0.002	-0.002	0.000	0.000	0.000	0.000
357	A	364	ARG	1	0.924	0.980	31.804	0.009	0.009	0.000	0.000	0.000	0.000
358	A	365	MET	0	-0.022	0.019	29.204	0.007	0.007	0.000	0.000	0.000	0.000
359	A	366	SER	0	-0.001	-0.001	25.727	-0.005	-0.005	0.000	0.000	0.000	0.000
360	A	367	PHE	0	0.034	0.013	23.433	0.006	0.006	0.000	0.000	0.000	0.000
361	A	368	GLY	0	0.014	0.018	22.214	-0.003	-0.003	0.000	0.000	0.000	0.000
362	A	369	TRP	0	0.031	0.006	15.683	0.025	0.025	0.000	0.000	0.000	0.000
363	A	370	GLY	0	0.096	0.037	18.385	0.017	0.017	0.000	0.000	0.000	0.000
364	A	371	THR	0	0.028	-0.013	17.737	0.042	0.042	0.000	0.000	0.000	0.000
365	A	372	ASN	0	-0.033	-0.013	17.583	0.056	0.056	0.000	0.000	0.000	0.000
366	A	373	LEU	0	0.027	0.027	13.473	0.032	0.032	0.000	0.000	0.000	0.000
367	A	374	THR	0	-0.001	0.022	12.978	0.161	0.161	0.000	0.000	0.000	0.000
368	A	375	ASN	0	-0.051	-0.037	13.815	0.119	0.119	0.000	0.000	0.000	0.000
369	A	376	ASP	-1	-0.777	-0.855	14.645	0.364	0.364	0.000	0.000	0.000	0.000
370	A	377	PHE	0	0.028	0.001	10.101	0.047	0.047	0.000	0.000	0.000	0.000
371	A	378	ALA	0	-0.008	0.000	15.178	-0.016	-0.016	0.000	0.000	0.000	0.000
372	A	379	GLY	0	0.012	0.008	18.404	-0.017	-0.017	0.000	0.000	0.000	0.000
373	A	380	CYS	0	-0.064	-0.004	13.079	-0.004	-0.004	0.000	0.000	0.000	0.000
374	A	381	ALA	0	0.024	0.017	14.094	0.063	0.063	0.000	0.000	0.000	0.000
375	A	382	PRO	0	-0.025	-0.017	14.227	-0.052	-0.052	0.000	0.000	0.000	0.000
376	A	383	LYS	1	1.012	0.984	17.156	-0.283	-0.283	0.000	0.000	0.000	0.000
377	A	384	THR	0	0.007	0.006	20.508	0.000	0.000	0.000	0.000	0.000	0.000
378	A	385	ILE	0	-0.028	0.001	17.376	-0.012	-0.012	0.000	0.000	0.000	0.000
379	A	386	ALA	0	0.077	0.041	17.254	0.006	0.006	0.000	0.000	0.000	0.000
380	A	387	SER	0	0.031	0.030	19.305	-0.005	-0.005	0.000	0.000	0.000	0.000
381	A	388	LEU	0	-0.009	-0.001	16.464	0.020	0.020	0.000	0.000	0.000	0.000
382	A	389	LYS	1	0.904	0.936	20.487	-0.299	-0.299	0.000	0.000	0.000	0.000
383	A	390	PRO	0	0.015	0.016	21.303	0.022	0.022	0.000	0.000	0.000	0.000
384	A	391	ILE	0	0.024	0.014	21.987	0.008	0.008	0.000	0.000	0.000	0.000
385	A	392	SER	0	-0.023	0.005	24.468	0.007	0.007	0.000	0.000	0.000	0.000
386	A	393	ILE	0	0.021	0.009	23.594	-0.015	-0.015	0.000	0.000	0.000	0.000
387	A	394	VAL	0	-0.048	-0.034	26.162	0.004	0.004	0.000	0.000	0.000	0.000
388	A	395	CYS	0	0.029	0.025	27.680	-0.005	-0.005	0.000	0.000	0.000	0.000
389	A	396	LYS	1	0.967	0.993	29.356	-0.091	-0.091	0.000	0.000	0.000	0.000
390	A	397	VAL	0	0.055	0.035	32.198	0.000	0.000	0.000	0.000	0.000	0.000
391	A	398	SER	0	-0.036	-0.018	35.195	0.000	0.000	0.000	0.000	0.000	0.000
392	A	399	ASP	-1	-0.869	-0.929	37.942	0.044	0.044	0.000	0.000	0.000	0.000
393	A	400	ALA	0	0.078	0.018	39.641	0.000	0.000	0.000	0.000	0.000	0.000
394	A	401	ASN	0	-0.017	-0.010	41.985	-0.001	-0.001	0.000	0.000	0.000	0.000
395	A	402	GLY	0	0.007	0.006	43.778	-0.001	-0.001	0.000	0.000	0.000	0.000
396	A	403	ARG	1	0.840	0.917	44.879	-0.026	-0.026	0.000	0.000	0.000	0.000
397	A	404	PRO	0	0.053	0.014	42.993	0.001	0.001	0.000	0.000	0.000	0.000
398	A	405	ALA	0	0.004	0.020	39.158	-0.002	-0.002	0.000	0.000	0.000	0.000
399	A	406	VAL	0	0.006	-0.005	40.492	0.004	0.004	0.000	0.000	0.000	0.000
400	A	407	LYS	1	0.853	0.917	33.103	-0.084	-0.084	0.000	0.000	0.000	0.000
401	A	408	LEU	0	-0.034	0.016	39.350	0.004	0.004	0.000	0.000	0.000	0.000
402	A	409	SER	0	-0.004	-0.010	36.649	-0.003	-0.003	0.000	0.000	0.000	0.000
403	A	410	ASP	-1	-0.702	-0.837	37.917	0.054	0.054	0.000	0.000	0.000	0.000
404	A	411	ASN	0	-0.053	-0.020	37.354	-0.003	-0.003	0.000	0.000	0.000	0.000
405	A	412	PRO	0	0.103	0.055	39.776	0.005	0.005	0.000	0.000	0.000	0.000
406	A	413	GLN	0	0.021	0.010	41.498	0.004	0.004	0.000	0.000	0.000	0.000
407	A	414	LYS	1	0.782	0.888	34.429	-0.102	-0.102	0.000	0.000	0.000	0.000
408	A	415	ALA	0	0.022	0.031	37.307	0.003	0.003	0.000	0.000	0.000	0.000
409	A	416	THR	0	-0.102	-0.062	35.410	0.007	0.007	0.000	0.000	0.000	0.000
410	A	417	GLY	0	0.071	0.025	38.331	-0.004	-0.004	0.000	0.000	0.000	0.000
411	A	418	ASP	-1	-0.859	-0.937	40.198	0.051	0.051	0.000	0.000	0.000	0.000
412	A	419	PRO	0	0.009	0.003	43.290	-0.002	-0.002	0.000	0.000	0.000	0.000
413	A	420	ALA	0	0.032	0.022	45.493	-0.001	-0.001	0.000	0.000	0.000	0.000
414	A	421	GLU	-1	-0.775	-0.855	45.272	0.036	0.036	0.000	0.000	0.000	0.000
415	A	422	VAL	0	-0.024	-0.027	42.732	-0.001	-0.001	0.000	0.000	0.000	0.000
416	A	423	GLU	-1	-0.879	-0.944	45.496	0.046	0.046	0.000	0.000	0.000	0.000
417	A	424	ARG	1	0.782	0.874	48.874	-0.036	-0.036	0.000	0.000	0.000	0.000
418	A	425	TYR	0	-0.023	-0.031	44.242	-0.002	-0.002	0.000	0.000	0.000	0.000
419	A	426	LEU	0	0.043	0.013	45.278	-0.001	-0.001	0.000	0.000	0.000	0.000
420	A	427	LYS	1	0.908	0.968	48.027	-0.034	-0.034	0.000	0.000	0.000	0.000
421	A	428	PHE	0	-0.100	-0.047	49.480	-0.002	-0.002	0.000	0.000	0.000	0.000
422	A	429	PHE	0	-0.023	-0.024	46.576	-0.002	-0.002	0.000	0.000	0.000	0.000
423	A	430	GLY	0	-0.050	-0.011	49.173	-0.001	-0.001	0.000	0.000	0.000	0.000
424	A	431	GLU	-1	-0.961	-1.002	46.314	0.053	0.053	0.000	0.000	0.000	0.000
425	A	432	GLU	-1	-0.913	-0.964	43.793	0.045	0.045	0.000	0.000	0.000	0.000
426	A	433	ASP	-1	-0.972	-0.980	46.924	0.041	0.041	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:8:MET)