FMO DATABASE

FMODB ID: Z666N

Calculation Name: 4EGV-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4EGV

Chain ID: A

ChEMBL ID:

UniProt ID: A0R3M0

Base Structure: X-ray

Registration Date: 2023-06-21

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	450
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7798479.178843
FMO2-HF: Nuclear repulsion	7630827.593331
FMO2-HF: Total energy	-167651.585512
FMO2-MP2: Total energy	-168142.134394

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:2:VAL)

Summations of interaction energy for fragment #1(A:2:VAL)

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.
-11.574	-1.761	7.894	-6.469	-11.241	-0.038

Interaction energy analysis for fragmet #1(A:2:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.015 / 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	4	PRO	0	-0.014	-0.016	2.723	-2.445	0.461	0.538	-1.603	-1.840	-0.008
4	A	5	ARG	1	0.805	0.868	5.122	1.934	2.101	-0.001	-0.008	-0.157	0.000
5	A	6	THR	0	-0.020	-0.014	2.206	0.087	0.226	2.691	-0.878	-1.953	0.002
6	A	7	PRO	0	-0.051	-0.014	4.364	0.061	0.134	-0.001	-0.009	-0.063	0.000
7	A	8	VAL	0	-0.014	-0.011	5.054	0.126	0.126	0.000	0.000	0.000	0.000
8	A	9	ILE	0	-0.010	-0.004	7.772	-0.039	-0.039	0.000	0.000	0.000	0.000
9	A	10	VAL	0	-0.008	-0.013	10.140	0.046	0.046	0.000	0.000	0.000	0.000
10	A	11	GLY	0	0.019	0.015	12.353	0.028	0.028	0.000	0.000	0.000	0.000
11	A	12	VAL	0	-0.043	-0.025	16.099	-0.021	-0.021	0.000	0.000	0.000	0.000
12	A	13	GLY	0	0.018	0.009	18.625	0.007	0.007	0.000	0.000	0.000	0.000
13	A	14	GLN	0	-0.021	-0.012	22.431	-0.011	-0.011	0.000	0.000	0.000	0.000
14	A	15	PHE	0	-0.005	-0.009	25.675	0.002	0.002	0.000	0.000	0.000	0.000
15	A	16	THR	0	0.019	-0.019	29.351	-0.003	-0.003	0.000	0.000	0.000	0.000
16	A	17	GLU	-1	-0.838	-0.888	32.686	-0.006	-0.006	0.000	0.000	0.000	0.000
17	A	26	GLY	0	0.010	0.005	40.768	0.001	0.001	0.000	0.000	0.000	0.000
18	A	27	MET	0	-0.082	-0.044	34.731	-0.003	-0.003	0.000	0.000	0.000	0.000
19	A	28	SER	0	-0.037	-0.058	36.588	-0.001	-0.001	0.000	0.000	0.000	0.000
20	A	29	SER	0	0.038	0.002	33.244	0.001	0.001	0.000	0.000	0.000	0.000
21	A	30	VAL	0	0.011	0.014	31.967	-0.002	-0.002	0.000	0.000	0.000	0.000
22	A	31	GLU	-1	-0.795	-0.841	31.425	-0.026	-0.026	0.000	0.000	0.000	0.000
23	A	32	LEU	0	-0.002	0.000	31.607	0.000	0.000	0.000	0.000	0.000	0.000
24	A	33	ALA	0	-0.003	0.000	27.730	0.002	0.002	0.000	0.000	0.000	0.000
25	A	34	THR	0	-0.013	-0.022	27.037	-0.005	-0.005	0.000	0.000	0.000	0.000
26	A	35	GLU	-1	-0.813	-0.892	27.620	-0.023	-0.023	0.000	0.000	0.000	0.000
27	A	36	ALA	0	0.013	0.024	25.244	0.004	0.004	0.000	0.000	0.000	0.000
28	A	37	ALA	0	0.015	0.002	23.161	0.001	0.001	0.000	0.000	0.000	0.000
29	A	38	LYS	1	0.803	0.884	22.965	0.023	0.023	0.000	0.000	0.000	0.000
30	A	39	ALA	0	-0.008	0.005	23.950	0.002	0.002	0.000	0.000	0.000	0.000
31	A	40	ALA	0	0.003	0.007	19.286	0.007	0.007	0.000	0.000	0.000	0.000
32	A	41	LEU	0	-0.005	-0.016	18.955	-0.002	-0.002	0.000	0.000	0.000	0.000
33	A	42	HIS	0	-0.019	0.003	20.179	-0.006	-0.006	0.000	0.000	0.000	0.000
34	A	43	ASP	-1	-0.777	-0.859	17.589	0.067	0.067	0.000	0.000	0.000	0.000
35	A	44	CYS	0	-0.062	-0.027	15.148	0.013	0.013	0.000	0.000	0.000	0.000
36	A	45	GLY	0	-0.001	-0.001	15.520	0.005	0.005	0.000	0.000	0.000	0.000
37	A	46	ALA	0	0.023	0.015	16.225	0.005	0.005	0.000	0.000	0.000	0.000
38	A	47	ASP	-1	-0.840	-0.912	18.321	-0.063	-0.063	0.000	0.000	0.000	0.000
39	A	48	ALA	0	0.050	0.021	20.940	-0.016	-0.016	0.000	0.000	0.000	0.000
40	A	49	ASP	-1	-0.833	-0.885	22.257	-0.082	-0.082	0.000	0.000	0.000	0.000
41	A	50	THR	0	-0.044	-0.061	19.955	-0.012	-0.012	0.000	0.000	0.000	0.000
42	A	51	VAL	0	0.000	0.005	17.252	-0.020	-0.020	0.000	0.000	0.000	0.000
43	A	52	ALA	0	-0.004	-0.002	19.775	-0.017	-0.017	0.000	0.000	0.000	0.000
44	A	53	ARG	1	0.736	0.828	22.555	0.087	0.087	0.000	0.000	0.000	0.000
45	A	54	ALA	0	-0.023	0.005	17.528	-0.010	-0.010	0.000	0.000	0.000	0.000
46	A	55	ILE	0	-0.030	-0.009	18.287	-0.025	-0.025	0.000	0.000	0.000	0.000
47	A	56	ASP	-1	-0.734	-0.828	16.424	-0.288	-0.288	0.000	0.000	0.000	0.000
48	A	57	THR	0	-0.023	-0.047	18.779	0.019	0.019	0.000	0.000	0.000	0.000
49	A	58	VAL	0	-0.023	0.000	19.953	0.004	0.004	0.000	0.000	0.000	0.000
50	A	59	ALA	0	0.002	-0.009	21.323	0.000	0.000	0.000	0.000	0.000	0.000
51	A	60	GLY	0	0.031	0.031	23.224	0.007	0.007	0.000	0.000	0.000	0.000
52	A	61	THR	0	0.020	-0.005	24.689	-0.004	-0.004	0.000	0.000	0.000	0.000
53	A	62	ARG	1	0.798	0.887	27.101	0.063	0.063	0.000	0.000	0.000	0.000
54	A	63	GLN	0	0.035	0.028	30.859	0.003	0.003	0.000	0.000	0.000	0.000
55	A	78	SER	0	0.004	-0.008	37.185	-0.002	-0.002	0.000	0.000	0.000	0.000
56	A	79	ASN	0	0.037	0.018	30.745	-0.001	-0.001	0.000	0.000	0.000	0.000
57	A	80	TYR	0	0.036	0.011	28.598	-0.002	-0.002	0.000	0.000	0.000	0.000
58	A	81	PRO	0	0.055	0.028	26.848	0.002	0.002	0.000	0.000	0.000	0.000
59	A	82	ARG	1	0.899	0.924	26.889	0.120	0.120	0.000	0.000	0.000	0.000
60	A	83	SER	0	-0.095	-0.054	29.410	0.002	0.002	0.000	0.000	0.000	0.000
61	A	84	VAL	0	0.011	0.018	26.499	0.003	0.003	0.000	0.000	0.000	0.000
62	A	85	ALA	0	0.012	0.009	26.084	0.001	0.001	0.000	0.000	0.000	0.000
63	A	86	ARG	1	0.938	0.967	27.134	0.065	0.065	0.000	0.000	0.000	0.000
64	A	87	ASN	0	-0.095	-0.053	30.355	0.001	0.001	0.000	0.000	0.000	0.000
65	A	88	ILE	0	-0.036	-0.015	23.790	0.007	0.007	0.000	0.000	0.000	0.000
66	A	89	GLY	0	-0.007	0.015	26.503	-0.002	-0.002	0.000	0.000	0.000	0.000
67	A	90	ALA	0	-0.010	-0.001	23.947	-0.007	-0.007	0.000	0.000	0.000	0.000
68	A	91	ASP	-1	-0.942	-0.988	25.514	-0.102	-0.102	0.000	0.000	0.000	0.000
69	A	92	PRO	0	-0.011	0.032	22.713	-0.007	-0.007	0.000	0.000	0.000	0.000
70	A	93	ALA	0	0.017	0.015	22.269	0.011	0.011	0.000	0.000	0.000	0.000
71	A	94	HIS	0	-0.031	-0.017	20.910	0.030	0.030	0.000	0.000	0.000	0.000
72	A	95	ALA	0	-0.008	-0.021	23.916	0.004	0.004	0.000	0.000	0.000	0.000
73	A	96	VAL	0	-0.008	0.005	22.977	0.005	0.005	0.000	0.000	0.000	0.000
74	A	97	LEU	0	-0.031	-0.020	25.878	0.008	0.008	0.000	0.000	0.000	0.000
75	A	98	GLU	-1	-0.717	-0.830	24.985	-0.080	-0.080	0.000	0.000	0.000	0.000
76	A	99	VAL	0	-0.084	-0.041	27.209	0.009	0.009	0.000	0.000	0.000	0.000
77	A	100	ILE	0	-0.039	-0.022	29.271	0.002	0.002	0.000	0.000	0.000	0.000
78	A	101	GLY	0	0.008	0.006	30.434	-0.002	-0.002	0.000	0.000	0.000	0.000
79	A	102	GLY	0	0.048	0.027	28.343	-0.005	-0.005	0.000	0.000	0.000	0.000
80	A	103	GLN	0	0.001	-0.009	25.074	0.010	0.010	0.000	0.000	0.000	0.000
81	A	104	SER	0	-0.040	-0.034	23.600	-0.004	-0.004	0.000	0.000	0.000	0.000
82	A	105	PRO	0	-0.018	-0.014	22.206	-0.011	-0.011	0.000	0.000	0.000	0.000
83	A	106	GLN	0	0.063	0.063	16.246	0.011	0.011	0.000	0.000	0.000	0.000
84	A	107	HIS	0	-0.037	-0.023	18.714	-0.012	-0.012	0.000	0.000	0.000	0.000
85	A	108	LEU	0	0.018	0.004	19.391	-0.016	-0.016	0.000	0.000	0.000	0.000
86	A	109	ALA	0	0.020	0.019	15.478	-0.025	-0.025	0.000	0.000	0.000	0.000
87	A	110	THR	0	-0.021	-0.035	14.557	-0.023	-0.023	0.000	0.000	0.000	0.000
88	A	111	GLU	-1	-0.921	-0.952	14.797	-0.209	-0.209	0.000	0.000	0.000	0.000
89	A	112	PHE	0	0.014	-0.014	15.061	-0.033	-0.033	0.000	0.000	0.000	0.000
90	A	113	GLY	0	0.039	0.019	11.165	-0.051	-0.051	0.000	0.000	0.000	0.000
91	A	114	GLY	0	0.019	0.006	10.631	-0.095	-0.095	0.000	0.000	0.000	0.000
92	A	115	LYS	1	0.775	0.880	12.526	0.163	0.163	0.000	0.000	0.000	0.000
93	A	116	ILE	0	-0.050	-0.012	8.509	-0.024	-0.024	0.000	0.000	0.000	0.000
94	A	117	ALA	0	0.012	0.019	8.073	-0.122	-0.122	0.000	0.000	0.000	0.000
95	A	118	ALA	0	-0.042	-0.007	9.077	-0.124	-0.124	0.000	0.000	0.000	0.000
96	A	119	GLY	0	-0.004	-0.014	11.798	-0.114	-0.114	0.000	0.000	0.000	0.000
97	A	120	GLU	-1	-0.935	-0.949	14.054	-0.220	-0.220	0.000	0.000	0.000	0.000
98	A	121	ASN	0	-0.065	-0.055	14.377	0.046	0.046	0.000	0.000	0.000	0.000
99	A	122	ASP	-1	-0.814	-0.867	11.511	-0.660	-0.660	0.000	0.000	0.000	0.000
100	A	123	VAL	0	-0.002	0.000	12.121	-0.009	-0.009	0.000	0.000	0.000	0.000
101	A	124	VAL	0	0.009	0.002	14.754	0.026	0.026	0.000	0.000	0.000	0.000
102	A	125	LEU	0	-0.010	0.003	16.355	0.015	0.015	0.000	0.000	0.000	0.000
103	A	126	ILE	0	0.009	0.008	16.963	0.002	0.002	0.000	0.000	0.000	0.000
104	A	127	PHE	0	0.023	0.002	20.322	0.012	0.012	0.000	0.000	0.000	0.000
105	A	128	GLY	0	0.024	0.009	23.540	-0.005	-0.005	0.000	0.000	0.000	0.000
106	A	129	SER	0	-0.063	-0.051	26.875	0.005	0.005	0.000	0.000	0.000	0.000
107	A	130	GLU	-1	-0.808	-0.896	30.130	-0.011	-0.011	0.000	0.000	0.000	0.000
108	A	131	ASN	0	-0.029	-0.026	33.455	0.001	0.001	0.000	0.000	0.000	0.000
109	A	132	THR	0	0.021	0.008	36.990	0.000	0.000	0.000	0.000	0.000	0.000
110	A	133	SER	0	-0.099	-0.040	40.408	0.000	0.000	0.000	0.000	0.000	0.000
111	A	168	GLU	-1	-0.771	-0.863	43.066	-0.020	-0.020	0.000	0.000	0.000	0.000
112	A	169	TYR	0	0.000	0.008	46.363	0.001	0.001	0.000	0.000	0.000	0.000
113	A	170	THR	0	0.048	-0.010	43.292	0.002	0.002	0.000	0.000	0.000	0.000
114	A	171	ILE	0	0.040	0.017	43.466	0.002	0.002	0.000	0.000	0.000	0.000
115	A	172	ARG	1	0.806	0.906	47.064	0.014	0.014	0.000	0.000	0.000	0.000
116	A	173	HIS	0	0.018	-0.002	49.575	0.002	0.002	0.000	0.000	0.000	0.000
117	A	174	GLY	0	0.006	-0.001	49.478	0.002	0.002	0.000	0.000	0.000	0.000
118	A	175	LEU	0	-0.041	-0.008	44.291	0.001	0.001	0.000	0.000	0.000	0.000
119	A	176	ILE	0	-0.013	-0.013	43.941	-0.001	-0.001	0.000	0.000	0.000	0.000
120	A	177	GLY	0	0.018	0.012	42.208	-0.001	-0.001	0.000	0.000	0.000	0.000
121	A	178	ALA	0	0.041	0.021	38.216	0.001	0.001	0.000	0.000	0.000	0.000
122	A	179	PRO	0	0.041	0.013	40.167	0.001	0.001	0.000	0.000	0.000	0.000
123	A	180	VAL	0	-0.002	0.003	42.279	0.001	0.001	0.000	0.000	0.000	0.000
124	A	181	GLN	0	-0.008	-0.014	40.846	-0.001	-0.001	0.000	0.000	0.000	0.000
125	A	182	TYR	0	0.030	-0.011	34.145	0.001	0.001	0.000	0.000	0.000	0.000
126	A	183	GLY	0	0.050	0.035	40.189	0.002	0.002	0.000	0.000	0.000	0.000
127	A	184	LEU	0	-0.057	-0.017	43.595	0.001	0.001	0.000	0.000	0.000	0.000
128	A	185	LEU	0	0.000	0.015	36.821	0.000	0.000	0.000	0.000	0.000	0.000
129	A	186	GLU	-1	-0.729	-0.824	39.448	0.024	0.024	0.000	0.000	0.000	0.000
130	A	187	ASN	0	0.005	-0.014	41.520	0.004	0.004	0.000	0.000	0.000	0.000
131	A	188	ALA	0	-0.014	0.005	42.155	0.000	0.000	0.000	0.000	0.000	0.000
132	A	189	ARG	1	0.813	0.866	37.286	-0.032	-0.032	0.000	0.000	0.000	0.000
133	A	190	ARG	1	0.719	0.827	41.423	-0.015	-0.015	0.000	0.000	0.000	0.000
134	A	191	ALA	0	-0.015	-0.010	44.482	0.001	0.001	0.000	0.000	0.000	0.000
135	A	192	ARG	1	0.782	0.883	38.044	-0.023	-0.023	0.000	0.000	0.000	0.000
136	A	193	LEU	0	-0.026	-0.013	39.723	0.001	0.001	0.000	0.000	0.000	0.000
137	A	194	GLY	0	-0.020	0.003	44.009	0.001	0.001	0.000	0.000	0.000	0.000
138	A	195	LEU	0	-0.024	0.005	43.656	0.000	0.000	0.000	0.000	0.000	0.000
139	A	196	SER	0	0.012	-0.029	47.725	-0.002	-0.002	0.000	0.000	0.000	0.000
140	A	197	VAL	0	0.006	-0.013	48.794	0.001	0.001	0.000	0.000	0.000	0.000
141	A	198	ALA	0	-0.042	-0.014	49.049	0.001	0.001	0.000	0.000	0.000	0.000
142	A	199	ASP	-1	-0.810	-0.874	47.466	0.028	0.028	0.000	0.000	0.000	0.000
143	A	200	TYR	0	-0.003	-0.029	40.143	0.003	0.003	0.000	0.000	0.000	0.000
144	A	201	ARG	1	0.865	0.927	43.940	-0.019	-0.019	0.000	0.000	0.000	0.000
145	A	202	LEU	0	0.015	0.016	44.834	0.000	0.000	0.000	0.000	0.000	0.000
146	A	203	ALA	0	0.070	0.037	41.246	0.002	0.002	0.000	0.000	0.000	0.000
147	A	204	MET	0	-0.079	-0.033	40.010	0.001	0.001	0.000	0.000	0.000	0.000
148	A	205	ALA	0	-0.031	-0.010	39.930	0.001	0.001	0.000	0.000	0.000	0.000
149	A	206	GLU	-1	-0.937	-0.988	40.389	0.045	0.045	0.000	0.000	0.000	0.000
150	A	207	LEU	0	-0.003	0.014	33.868	0.003	0.003	0.000	0.000	0.000	0.000
151	A	208	PHE	0	-0.004	-0.020	34.432	0.002	0.002	0.000	0.000	0.000	0.000
152	A	209	ALA	0	0.017	0.021	37.108	0.000	0.000	0.000	0.000	0.000	0.000
153	A	210	PRO	0	-0.026	-0.014	34.209	0.001	0.001	0.000	0.000	0.000	0.000
154	A	211	PHE	0	0.029	0.011	30.166	0.002	0.002	0.000	0.000	0.000	0.000
155	A	212	SER	0	0.007	0.002	33.725	0.000	0.000	0.000	0.000	0.000	0.000
156	A	213	LYS	1	0.858	0.922	34.882	-0.058	-0.058	0.000	0.000	0.000	0.000
157	A	214	VAL	0	0.004	0.015	28.959	0.001	0.001	0.000	0.000	0.000	0.000
158	A	215	ALA	0	0.046	0.028	32.071	0.000	0.000	0.000	0.000	0.000	0.000
159	A	216	ALA	0	-0.084	-0.032	33.432	-0.002	-0.002	0.000	0.000	0.000	0.000
160	A	217	LYS	1	0.833	0.913	32.842	-0.055	-0.055	0.000	0.000	0.000	0.000
161	A	218	ASN	0	0.006	0.021	27.094	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	219	PRO	0	-0.018	-0.026	29.412	-0.005	-0.005	0.000	0.000	0.000	0.000
163	A	220	TYR	0	-0.028	-0.004	26.443	-0.004	-0.004	0.000	0.000	0.000	0.000
164	A	221	SER	0	-0.016	-0.010	30.922	-0.005	-0.005	0.000	0.000	0.000	0.000
165	A	222	SER	0	-0.079	-0.055	33.365	-0.001	-0.001	0.000	0.000	0.000	0.000
166	A	223	ALA	0	-0.037	-0.021	36.495	0.001	0.001	0.000	0.000	0.000	0.000
167	A	224	PRO	0	0.042	0.049	36.160	0.000	0.000	0.000	0.000	0.000	0.000
168	A	225	THR	0	-0.038	-0.039	38.573	0.000	0.000	0.000	0.000	0.000	0.000
169	A	226	GLU	-1	-0.815	-0.900	38.785	0.051	0.051	0.000	0.000	0.000	0.000
170	A	227	ARG	1	0.782	0.878	40.283	-0.029	-0.029	0.000	0.000	0.000	0.000
171	A	228	SER	0	-0.013	-0.017	41.413	0.003	0.003	0.000	0.000	0.000	0.000
172	A	229	VAL	0	0.069	0.018	42.028	-0.002	-0.002	0.000	0.000	0.000	0.000
173	A	230	GLU	-1	-0.865	-0.937	44.296	0.029	0.029	0.000	0.000	0.000	0.000
174	A	231	GLU	-1	-0.855	-0.890	45.842	0.027	0.027	0.000	0.000	0.000	0.000
175	A	232	LEU	0	-0.009	-0.006	40.958	-0.003	-0.003	0.000	0.000	0.000	0.000
176	A	233	LEU	0	0.019	0.026	45.442	-0.002	-0.002	0.000	0.000	0.000	0.000
177	A	234	THR	0	-0.029	-0.035	47.764	-0.002	-0.002	0.000	0.000	0.000	0.000
178	A	235	VAL	0	0.006	0.008	50.693	-0.001	-0.001	0.000	0.000	0.000	0.000
179	A	236	THR	0	0.002	0.001	52.100	0.000	0.000	0.000	0.000	0.000	0.000
180	A	237	ALA	0	0.033	0.002	53.619	-0.001	-0.001	0.000	0.000	0.000	0.000
181	A	238	SER	0	-0.021	-0.005	50.638	-0.001	-0.001	0.000	0.000	0.000	0.000
182	A	239	ASN	0	0.018	0.014	47.224	-0.002	-0.002	0.000	0.000	0.000	0.000
183	A	240	ARG	1	0.969	0.993	49.810	-0.008	-0.008	0.000	0.000	0.000	0.000
184	A	241	MET	0	0.042	0.028	49.109	0.001	0.001	0.000	0.000	0.000	0.000
185	A	242	ILE	0	-0.050	-0.019	47.111	-0.001	-0.001	0.000	0.000	0.000	0.000
186	A	243	VAL	0	-0.011	-0.016	45.811	-0.002	-0.002	0.000	0.000	0.000	0.000
187	A	244	ASP	-1	-0.822	-0.848	46.757	0.013	0.013	0.000	0.000	0.000	0.000
188	A	245	PRO	0	0.040	0.033	44.227	-0.002	-0.002	0.000	0.000	0.000	0.000
189	A	246	TYR	0	-0.003	-0.070	39.971	0.001	0.001	0.000	0.000	0.000	0.000
190	A	247	PRO	0	0.028	0.007	45.191	-0.002	-0.002	0.000	0.000	0.000	0.000
191	A	248	ARG	1	0.887	0.927	44.960	-0.012	-0.012	0.000	0.000	0.000	0.000
192	A	249	LEU	0	-0.050	-0.033	43.931	-0.001	-0.001	0.000	0.000	0.000	0.000
193	A	250	MET	0	-0.010	0.017	40.547	0.001	0.001	0.000	0.000	0.000	0.000
194	A	251	VAL	0	-0.019	-0.016	39.650	0.000	0.000	0.000	0.000	0.000	0.000
195	A	252	ALA	0	-0.028	-0.005	40.844	-0.003	-0.003	0.000	0.000	0.000	0.000
196	A	253	ARG	1	0.862	0.905	36.046	-0.004	-0.004	0.000	0.000	0.000	0.000
197	A	254	ASP	-1	-0.826	-0.871	37.811	0.011	0.011	0.000	0.000	0.000	0.000
198	A	255	GLN	0	-0.097	-0.057	38.667	-0.004	-0.004	0.000	0.000	0.000	0.000
199	A	256	VAL	0	0.040	0.024	34.218	0.001	0.001	0.000	0.000	0.000	0.000
200	A	257	ASN	0	0.008	0.015	35.748	-0.003	-0.003	0.000	0.000	0.000	0.000
201	A	258	GLN	0	-0.006	0.000	30.815	0.002	0.002	0.000	0.000	0.000	0.000
202	A	259	GLY	0	0.008	-0.008	28.676	-0.006	-0.006	0.000	0.000	0.000	0.000
203	A	260	ALA	0	-0.017	-0.001	23.552	0.007	0.007	0.000	0.000	0.000	0.000
204	A	261	ALA	0	-0.024	-0.019	21.836	-0.010	-0.010	0.000	0.000	0.000	0.000
205	A	262	LEU	0	0.019	0.008	16.558	0.014	0.014	0.000	0.000	0.000	0.000
206	A	263	LEU	0	0.003	0.010	15.181	-0.020	-0.020	0.000	0.000	0.000	0.000
207	A	264	MET	0	-0.035	-0.015	11.149	0.026	0.026	0.000	0.000	0.000	0.000
208	A	265	MET	0	-0.004	0.011	10.739	0.003	0.003	0.000	0.000	0.000	0.000
209	A	266	SER	0	0.052	0.014	7.418	-0.015	-0.015	0.000	0.000	0.000	0.000
210	A	267	VAL	0	0.020	0.011	2.353	-0.724	-0.107	1.437	-0.400	-1.655	0.002
211	A	268	GLU	-1	-0.926	-0.961	5.701	-0.684	-0.684	0.000	0.000	0.000	0.000
212	A	269	SER	0	-0.015	-0.054	7.638	0.197	0.197	0.000	0.000	0.000	0.000
213	A	270	ALA	0	0.000	0.004	7.974	0.092	0.092	0.000	0.000	0.000	0.000
214	A	271	ARG	1	0.813	0.883	3.424	-1.054	-0.604	0.013	-0.131	-0.332	0.001
215	A	272	LYS	1	0.739	0.882	9.951	0.608	0.608	0.000	0.000	0.000	0.000
216	A	273	LEU	0	-0.032	-0.022	12.602	0.035	0.035	0.000	0.000	0.000	0.000
217	A	274	GLY	0	-0.028	-0.010	13.407	0.029	0.029	0.000	0.000	0.000	0.000
218	A	275	VAL	0	-0.028	-0.009	11.323	0.033	0.033	0.000	0.000	0.000	0.000
219	A	276	PRO	0	-0.010	0.006	11.130	0.019	0.019	0.000	0.000	0.000	0.000
220	A	277	GLU	-1	-0.797	-0.885	5.403	0.808	0.808	0.000	0.000	0.000	0.000
221	A	278	GLU	-1	-0.916	-0.968	9.267	0.272	0.272	0.000	0.000	0.000	0.000
222	A	279	LYS	1	0.824	0.912	11.894	-0.098	-0.098	0.000	0.000	0.000	0.000
223	A	280	TRP	0	-0.031	-0.004	3.745	-0.227	-0.050	0.001	-0.022	-0.155	0.000
224	A	281	VAL	0	-0.017	-0.001	9.415	0.087	0.087	0.000	0.000	0.000	0.000
225	A	282	TYR	0	0.040	0.025	2.364	-1.248	-0.368	0.641	-0.406	-1.116	-0.002
226	A	283	LEU	0	-0.046	-0.013	7.723	0.050	0.050	0.000	0.000	0.000	0.000
227	A	284	ARG	1	0.789	0.854	7.095	-0.869	-0.869	0.000	0.000	0.000	0.000
228	A	285	GLY	0	0.043	0.033	9.738	-0.014	-0.014	0.000	0.000	0.000	0.000
229	A	286	HIS	1	0.818	0.902	10.980	0.115	0.115	0.000	0.000	0.000	0.000
230	A	287	ALA	0	0.015	0.018	15.375	-0.006	-0.006	0.000	0.000	0.000	0.000
231	A	288	ASP	-1	-0.782	-0.869	18.782	-0.057	-0.057	0.000	0.000	0.000	0.000
232	A	289	MET	0	-0.030	0.011	21.752	-0.009	-0.009	0.000	0.000	0.000	0.000
233	A	290	LYS	1	0.758	0.852	25.297	0.042	0.042	0.000	0.000	0.000	0.000
234	A	291	GLU	-1	-0.729	-0.802	29.014	-0.003	-0.003	0.000	0.000	0.000	0.000
235	A	292	PRO	0	-0.021	-0.002	32.570	-0.004	-0.004	0.000	0.000	0.000	0.000
236	A	293	LYS	1	0.876	0.917	35.863	0.028	0.028	0.000	0.000	0.000	0.000
237	A	294	LEU	0	0.026	0.005	38.472	0.001	0.001	0.000	0.000	0.000	0.000
238	A	295	LEU	0	0.011	-0.008	40.278	0.002	0.002	0.000	0.000	0.000	0.000
239	A	296	GLU	-1	-0.832	-0.910	39.230	-0.021	-0.021	0.000	0.000	0.000	0.000
240	A	297	ARG	1	0.849	0.938	35.406	0.008	0.008	0.000	0.000	0.000	0.000
241	A	298	ALA	0	0.050	0.026	38.234	0.001	0.001	0.000	0.000	0.000	0.000
242	A	299	ASP	-1	-0.784	-0.887	38.729	0.014	0.014	0.000	0.000	0.000	0.000
243	A	300	ILE	0	-0.058	-0.025	38.736	-0.002	-0.002	0.000	0.000	0.000	0.000
244	A	301	GLY	0	0.023	0.000	39.456	0.000	0.000	0.000	0.000	0.000	0.000
245	A	302	ALA	0	-0.007	-0.012	35.217	0.004	0.004	0.000	0.000	0.000	0.000
246	A	303	SER	0	-0.093	-0.064	31.345	-0.004	-0.004	0.000	0.000	0.000	0.000
247	A	304	PRO	0	0.080	0.025	30.959	0.004	0.004	0.000	0.000	0.000	0.000
248	A	305	ALA	0	0.020	0.034	28.309	0.003	0.003	0.000	0.000	0.000	0.000
249	A	306	SER	0	0.006	-0.031	26.553	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	307	VAL	0	0.005	0.015	25.718	0.004	0.004	0.000	0.000	0.000	0.000
251	A	308	THR	0	-0.025	-0.019	24.463	0.008	0.008	0.000	0.000	0.000	0.000
252	A	309	ALA	0	0.001	-0.002	22.089	0.003	0.003	0.000	0.000	0.000	0.000
253	A	310	VAL	0	0.016	0.003	20.823	0.005	0.005	0.000	0.000	0.000	0.000
254	A	311	ASN	0	-0.032	-0.022	20.768	0.023	0.023	0.000	0.000	0.000	0.000
255	A	312	GLU	-1	-0.722	-0.822	18.184	0.000	0.000	0.000	0.000	0.000	0.000
256	A	313	ALA	0	-0.017	-0.012	16.477	0.004	0.004	0.000	0.000	0.000	0.000
257	A	314	LEU	0	0.021	0.001	15.607	0.021	0.021	0.000	0.000	0.000	0.000
258	A	315	ARG	1	0.808	0.875	15.797	0.025	0.025	0.000	0.000	0.000	0.000
259	A	316	VAL	0	-0.103	-0.050	12.032	0.023	0.023	0.000	0.000	0.000	0.000
260	A	317	ALA	0	0.035	0.020	11.500	0.015	0.015	0.000	0.000	0.000	0.000
261	A	318	GLY	0	-0.058	-0.011	11.871	0.110	0.110	0.000	0.000	0.000	0.000
262	A	319	ILE	0	-0.050	-0.019	14.008	0.033	0.033	0.000	0.000	0.000	0.000
263	A	320	GLY	0	0.000	-0.007	16.915	-0.041	-0.041	0.000	0.000	0.000	0.000
264	A	321	LEU	0	-0.021	-0.027	20.269	0.009	0.009	0.000	0.000	0.000	0.000
265	A	322	ASP	-1	-0.896	-0.955	22.894	0.145	0.145	0.000	0.000	0.000	0.000
266	A	323	ASP	-1	-0.851	-0.910	18.020	0.292	0.292	0.000	0.000	0.000	0.000
267	A	324	VAL	0	-0.086	-0.026	18.451	0.023	0.023	0.000	0.000	0.000	0.000
268	A	325	ALA	0	0.015	0.015	19.382	-0.019	-0.019	0.000	0.000	0.000	0.000
269	A	326	ALA	0	0.007	0.002	20.578	-0.017	-0.017	0.000	0.000	0.000	0.000
270	A	327	PHE	0	0.031	0.001	20.987	0.003	0.003	0.000	0.000	0.000	0.000
271	A	328	ASP	-1	-0.777	-0.829	22.723	0.046	0.046	0.000	0.000	0.000	0.000
272	A	329	LEU	0	0.052	0.033	23.900	-0.007	-0.007	0.000	0.000	0.000	0.000
273	A	330	TYR	0	-0.048	-0.041	26.582	-0.002	-0.002	0.000	0.000	0.000	0.000
274	A	331	SER	0	0.037	0.003	28.426	-0.002	-0.002	0.000	0.000	0.000	0.000
275	A	332	CYS	0	-0.095	-0.026	31.894	-0.002	-0.002	0.000	0.000	0.000	0.000
276	A	333	PHE	0	-0.018	-0.013	34.441	-0.003	-0.003	0.000	0.000	0.000	0.000
277	A	334	PRO	0	0.064	0.032	34.890	0.001	0.001	0.000	0.000	0.000	0.000
278	A	335	PHE	0	0.005	0.016	34.814	0.002	0.002	0.000	0.000	0.000	0.000
279	A	336	PRO	0	-0.049	-0.033	31.000	0.001	0.001	0.000	0.000	0.000	0.000
280	A	337	VAL	0	0.014	0.025	30.357	0.002	0.002	0.000	0.000	0.000	0.000
281	A	338	PHE	0	0.045	0.000	31.363	0.004	0.004	0.000	0.000	0.000	0.000
282	A	339	ASN	0	-0.007	-0.001	30.731	0.002	0.002	0.000	0.000	0.000	0.000
283	A	340	ILE	0	-0.023	-0.003	26.410	0.000	0.000	0.000	0.000	0.000	0.000
284	A	341	CYS	0	-0.019	-0.006	29.543	0.003	0.003	0.000	0.000	0.000	0.000
285	A	342	ASP	-1	-0.811	-0.875	31.638	0.038	0.038	0.000	0.000	0.000	0.000
286	A	343	GLY	0	-0.044	-0.020	31.065	0.000	0.000	0.000	0.000	0.000	0.000
287	A	344	THR	0	-0.026	-0.019	26.398	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	345	GLY	0	-0.011	0.003	28.587	0.008	0.008	0.000	0.000	0.000	0.000
289	A	346	LEU	0	-0.014	0.004	26.186	0.002	0.002	0.000	0.000	0.000	0.000
290	A	347	ALA	0	0.042	0.023	29.636	-0.008	-0.008	0.000	0.000	0.000	0.000
291	A	348	THR	0	-0.047	-0.052	31.854	0.001	0.001	0.000	0.000	0.000	0.000
292	A	349	ASP	-1	-0.904	-0.948	34.169	0.067	0.067	0.000	0.000	0.000	0.000
293	A	350	ASP	-1	-0.802	-0.870	28.567	0.124	0.124	0.000	0.000	0.000	0.000
294	A	351	PRO	0	-0.032	-0.024	29.935	-0.002	-0.002	0.000	0.000	0.000	0.000
295	A	352	ARG	1	0.741	0.845	23.670	-0.147	-0.147	0.000	0.000	0.000	0.000
296	A	353	GLY	0	-0.036	-0.002	26.502	-0.001	-0.001	0.000	0.000	0.000	0.000
297	A	354	LEU	0	0.007	-0.017	27.260	0.003	0.003	0.000	0.000	0.000	0.000
298	A	355	THR	0	-0.069	-0.054	26.616	-0.010	-0.010	0.000	0.000	0.000	0.000
299	A	356	LEU	0	0.062	0.036	21.268	0.004	0.004	0.000	0.000	0.000	0.000
300	A	357	THR	0	-0.045	-0.036	25.630	-0.002	-0.002	0.000	0.000	0.000	0.000
301	A	358	GLY	0	0.017	-0.014	27.372	-0.003	-0.003	0.000	0.000	0.000	0.000
302	A	359	GLY	0	0.045	0.025	29.871	-0.002	-0.002	0.000	0.000	0.000	0.000
303	A	360	LEU	0	-0.038	-0.003	31.241	-0.003	-0.003	0.000	0.000	0.000	0.000
304	A	361	PRO	0	-0.080	-0.038	33.132	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	362	PHE	0	-0.038	-0.019	35.182	-0.002	-0.002	0.000	0.000	0.000	0.000
306	A	363	PHE	0	0.009	0.022	28.673	0.000	0.000	0.000	0.000	0.000	0.000
307	A	364	GLY	0	0.036	0.028	33.403	-0.002	-0.002	0.000	0.000	0.000	0.000
308	A	365	GLY	0	0.042	0.008	33.090	0.000	0.000	0.000	0.000	0.000	0.000
309	A	366	LEU	0	-0.067	-0.047	34.426	0.001	0.001	0.000	0.000	0.000	0.000
310	A	367	GLY	0	0.027	0.003	32.162	0.001	0.001	0.000	0.000	0.000	0.000
311	A	368	ASN	0	-0.029	-0.014	30.008	0.001	0.001	0.000	0.000	0.000	0.000
312	A	369	ASN	0	0.082	0.026	26.339	-0.009	-0.009	0.000	0.000	0.000	0.000
313	A	370	TYR	0	-0.005	-0.021	26.377	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	371	SER	0	0.074	0.009	23.110	0.003	0.003	0.000	0.000	0.000	0.000
315	A	372	MET	0	-0.041	0.007	21.787	0.002	0.002	0.000	0.000	0.000	0.000
316	A	373	HIS	0	-0.019	-0.022	21.848	-0.003	-0.003	0.000	0.000	0.000	0.000
317	A	374	GLY	0	0.037	0.032	22.729	0.008	0.008	0.000	0.000	0.000	0.000
318	A	375	ILE	0	-0.024	-0.018	16.714	0.013	0.013	0.000	0.000	0.000	0.000
319	A	376	ALA	0	0.016	0.014	17.971	0.013	0.013	0.000	0.000	0.000	0.000
320	A	377	GLU	-1	-0.812	-0.900	19.282	0.074	0.074	0.000	0.000	0.000	0.000
321	A	378	ALA	0	-0.013	-0.013	17.709	0.018	0.018	0.000	0.000	0.000	0.000
322	A	379	VAL	0	-0.024	-0.019	13.817	0.028	0.028	0.000	0.000	0.000	0.000
323	A	380	ASN	0	0.029	0.008	15.551	0.030	0.030	0.000	0.000	0.000	0.000
324	A	381	GLU	-1	-0.767	-0.864	18.152	0.183	0.183	0.000	0.000	0.000	0.000
325	A	382	MET	0	-0.076	-0.024	13.746	0.036	0.036	0.000	0.000	0.000	0.000
326	A	383	ARG	1	0.758	0.876	13.937	-0.058	-0.058	0.000	0.000	0.000	0.000
327	A	384	ASP	-1	-0.925	-0.969	15.477	0.196	0.196	0.000	0.000	0.000	0.000
328	A	385	LYS	1	0.718	0.849	17.748	-0.180	-0.180	0.000	0.000	0.000	0.000
329	A	386	PRO	0	0.002	-0.005	13.662	0.027	0.027	0.000	0.000	0.000	0.000
330	A	387	GLY	0	-0.050	-0.022	12.182	0.006	0.006	0.000	0.000	0.000	0.000
331	A	388	GLN	0	-0.011	0.007	13.223	-0.022	-0.022	0.000	0.000	0.000	0.000
332	A	389	PHE	0	0.036	0.018	11.518	0.004	0.004	0.000	0.000	0.000	0.000
333	A	390	ALA	0	0.026	0.013	15.673	-0.026	-0.026	0.000	0.000	0.000	0.000
334	A	391	LEU	0	-0.023	0.002	16.618	-0.005	-0.005	0.000	0.000	0.000	0.000
335	A	392	VAL	0	0.013	-0.001	18.864	-0.006	-0.006	0.000	0.000	0.000	0.000
336	A	393	GLY	0	0.032	0.019	20.522	-0.008	-0.008	0.000	0.000	0.000	0.000
337	A	394	ALA	0	-0.018	-0.001	23.154	0.000	0.000	0.000	0.000	0.000	0.000
338	A	395	ASN	0	0.008	-0.007	24.879	-0.006	-0.006	0.000	0.000	0.000	0.000
339	A	396	GLY	0	0.089	0.022	28.220	0.000	0.000	0.000	0.000	0.000	0.000
340	A	397	GLY	0	-0.078	-0.023	29.989	-0.001	-0.001	0.000	0.000	0.000	0.000
341	A	398	ILE	0	-0.043	-0.001	33.609	0.004	0.004	0.000	0.000	0.000	0.000
342	A	399	ALA	0	0.087	0.046	32.015	0.000	0.000	0.000	0.000	0.000	0.000
343	A	400	SER	0	-0.032	-0.020	32.486	0.001	0.001	0.000	0.000	0.000	0.000
344	A	401	LYS	1	0.887	0.941	25.938	0.055	0.055	0.000	0.000	0.000	0.000
345	A	402	TYR	0	0.010	0.013	24.582	0.007	0.007	0.000	0.000	0.000	0.000
346	A	403	SER	0	-0.033	-0.030	21.353	-0.004	-0.004	0.000	0.000	0.000	0.000
347	A	404	VAL	0	-0.041	-0.022	18.978	0.008	0.008	0.000	0.000	0.000	0.000
348	A	405	GLY	0	0.007	0.009	16.160	-0.019	-0.019	0.000	0.000	0.000	0.000
349	A	406	ILE	0	-0.039	-0.016	14.362	0.013	0.013	0.000	0.000	0.000	0.000
350	A	407	TYR	0	-0.022	-0.037	12.166	-0.015	-0.015	0.000	0.000	0.000	0.000
351	A	408	SER	0	0.075	0.011	10.405	0.059	0.059	0.000	0.000	0.000	0.000
352	A	409	THR	0	0.067	0.027	9.227	-0.007	-0.007	0.000	0.000	0.000	0.000
353	A	410	GLU	-1	-0.868	-0.907	8.086	1.129	1.129	0.000	0.000	0.000	0.000
354	A	411	PRO	0	-0.027	-0.014	3.257	-0.586	-0.124	0.029	-0.090	-0.402	0.000
355	A	412	ALA	0	-0.024	-0.011	4.100	0.481	0.740	0.001	-0.044	-0.217	0.000
356	A	413	ASP	-1	-0.796	-0.875	2.586	-9.548	-5.943	2.542	-2.866	-3.281	-0.033
357	A	414	TRP	0	0.001	-0.004	3.865	0.417	0.495	0.003	-0.012	-0.070	0.000
358	A	415	VAL	0	-0.009	0.013	7.094	-0.072	-0.072	0.000	0.000	0.000	0.000
359	A	416	ALA	0	-0.017	-0.011	9.892	0.015	0.015	0.000	0.000	0.000	0.000
360	A	417	ASP	-1	-0.788	-0.870	13.080	-0.066	-0.066	0.000	0.000	0.000	0.000
361	A	418	ASN	0	-0.002	-0.016	16.134	-0.033	-0.033	0.000	0.000	0.000	0.000
362	A	419	SER	0	-0.002	-0.029	19.257	0.015	0.015	0.000	0.000	0.000	0.000
363	A	420	ALA	0	-0.016	-0.008	21.512	0.007	0.007	0.000	0.000	0.000	0.000
364	A	421	GLN	0	-0.066	-0.037	23.099	-0.004	-0.004	0.000	0.000	0.000	0.000
365	A	422	LEU	0	0.024	0.008	22.034	0.007	0.007	0.000	0.000	0.000	0.000
366	A	423	GLN	0	-0.015	-0.030	25.454	0.008	0.008	0.000	0.000	0.000	0.000
367	A	424	ALA	0	-0.004	0.000	27.385	0.004	0.004	0.000	0.000	0.000	0.000
368	A	425	GLU	-1	-0.874	-0.930	27.566	-0.023	-0.023	0.000	0.000	0.000	0.000
369	A	426	HIS	0	-0.055	-0.043	29.672	0.005	0.005	0.000	0.000	0.000	0.000
370	A	427	ASP	-1	-0.816	-0.891	31.294	-0.039	-0.039	0.000	0.000	0.000	0.000
371	A	428	ALA	0	-0.049	-0.023	33.202	0.001	0.001	0.000	0.000	0.000	0.000
372	A	429	GLN	0	-0.004	0.020	33.860	0.002	0.002	0.000	0.000	0.000	0.000
373	A	430	PRO	0	-0.033	-0.018	36.703	-0.002	-0.002	0.000	0.000	0.000	0.000
374	A	431	LYS	1	0.838	0.924	36.819	0.025	0.025	0.000	0.000	0.000	0.000
375	A	432	VAL	0	-0.057	-0.022	41.391	0.000	0.000	0.000	0.000	0.000	0.000
376	A	433	ALA	0	0.046	0.025	44.418	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	434	ILE	0	-0.006	-0.014	44.602	0.002	0.002	0.000	0.000	0.000	0.000
378	A	435	THR	0	0.015	0.012	49.029	-0.002	-0.002	0.000	0.000	0.000	0.000
379	A	436	GLU	-1	-0.818	-0.892	50.721	-0.014	-0.014	0.000	0.000	0.000	0.000
380	A	437	LYS	1	0.848	0.897	52.489	0.015	0.015	0.000	0.000	0.000	0.000
381	A	438	ALA	0	0.037	0.025	55.065	0.000	0.000	0.000	0.000	0.000	0.000
382	A	439	ASP	-1	-0.897	-0.967	56.968	-0.005	-0.005	0.000	0.000	0.000	0.000
383	A	440	GLY	0	0.019	0.037	60.655	0.000	0.000	0.000	0.000	0.000	0.000
384	A	441	THR	0	-0.074	-0.045	61.035	0.001	0.001	0.000	0.000	0.000	0.000
385	A	442	GLY	0	0.039	0.008	57.006	-0.001	-0.001	0.000	0.000	0.000	0.000
386	A	443	THR	0	-0.035	-0.007	54.224	0.001	0.001	0.000	0.000	0.000	0.000
387	A	444	ILE	0	-0.017	0.006	51.514	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	445	GLU	-1	-0.747	-0.814	46.137	0.003	0.003	0.000	0.000	0.000	0.000
389	A	446	THR	0	-0.029	-0.038	44.846	0.002	0.002	0.000	0.000	0.000	0.000
390	A	447	TYR	0	0.012	0.003	48.020	-0.002	-0.002	0.000	0.000	0.000	0.000
391	A	448	THR	0	-0.018	-0.021	47.179	0.001	0.001	0.000	0.000	0.000	0.000
392	A	449	VAL	0	0.023	0.012	49.352	-0.001	-0.001	0.000	0.000	0.000	0.000
393	A	450	ARG	1	0.816	0.878	48.039	0.003	0.003	0.000	0.000	0.000	0.000
394	A	451	TYR	0	0.045	-0.021	50.623	-0.001	-0.001	0.000	0.000	0.000	0.000
395	A	452	ASP	-1	-0.833	-0.880	50.484	0.000	0.000	0.000	0.000	0.000	0.000
396	A	453	TRP	0	-0.073	-0.029	51.030	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	454	THR	0	0.051	0.035	55.365	0.001	0.001	0.000	0.000	0.000	0.000
398	A	455	PRO	0	0.014	-0.020	59.196	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	456	HIS	0	0.004	0.015	56.341	0.000	0.000	0.000	0.000	0.000	0.000
400	A	457	THR	0	-0.052	-0.028	54.370	-0.001	-0.001	0.000	0.000	0.000	0.000
401	A	458	GLY	0	0.048	0.048	53.533	0.000	0.000	0.000	0.000	0.000	0.000
402	A	459	ILE	0	-0.086	-0.050	49.035	-0.002	-0.002	0.000	0.000	0.000	0.000
403	A	460	ILE	0	0.049	0.017	50.882	0.001	0.001	0.000	0.000	0.000	0.000
404	A	461	ILE	0	-0.006	0.005	44.990	-0.002	-0.002	0.000	0.000	0.000	0.000
405	A	462	GLY	0	0.045	0.020	49.213	0.002	0.002	0.000	0.000	0.000	0.000
406	A	463	ARG	1	0.789	0.866	45.752	-0.002	-0.002	0.000	0.000	0.000	0.000
407	A	464	LEU	0	0.034	0.008	52.348	0.001	0.001	0.000	0.000	0.000	0.000
408	A	465	ASP	-1	-0.833	-0.920	54.549	0.001	0.001	0.000	0.000	0.000	0.000
409	A	466	ASP	-1	-0.875	-0.908	53.813	-0.006	-0.006	0.000	0.000	0.000	0.000
410	A	467	GLY	0	0.014	0.020	51.804	0.000	0.000	0.000	0.000	0.000	0.000
411	A	468	SER	0	-0.074	-0.041	49.743	0.000	0.000	0.000	0.000	0.000	0.000
412	A	469	ARG	1	0.761	0.813	42.466	0.003	0.003	0.000	0.000	0.000	0.000
413	A	470	PHE	0	-0.035	-0.017	49.644	-0.002	-0.002	0.000	0.000	0.000	0.000
414	A	471	LEU	0	-0.012	0.002	46.984	0.001	0.001	0.000	0.000	0.000	0.000
415	A	472	ALA	0	0.008	-0.002	50.989	-0.001	-0.001	0.000	0.000	0.000	0.000
416	A	473	LYS	1	0.834	0.924	53.015	0.008	0.008	0.000	0.000	0.000	0.000
417	A	474	THR	0	-0.036	-0.039	55.037	0.000	0.000	0.000	0.000	0.000	0.000
418	A	475	LYS	1	0.868	0.920	57.370	0.002	0.002	0.000	0.000	0.000	0.000
419	A	476	ASP	-1	-0.824	-0.901	60.206	0.002	0.002	0.000	0.000	0.000	0.000
420	A	477	GLU	-1	-0.938	-0.960	61.513	0.004	0.004	0.000	0.000	0.000	0.000
421	A	478	ASP	-1	-0.870	-0.934	62.595	0.005	0.005	0.000	0.000	0.000	0.000
422	A	479	LEU	0	-0.063	-0.028	57.392	0.001	0.001	0.000	0.000	0.000	0.000
423	A	480	VAL	0	-0.010	-0.019	57.132	0.001	0.001	0.000	0.000	0.000	0.000
424	A	481	LYS	1	0.920	0.988	57.800	-0.007	-0.007	0.000	0.000	0.000	0.000
425	A	482	LEU	0	0.000	0.002	57.625	0.001	0.001	0.000	0.000	0.000	0.000
426	A	483	LEU	0	-0.098	-0.054	53.477	0.001	0.001	0.000	0.000	0.000	0.000
427	A	484	SER	0	-0.037	-0.033	53.853	0.000	0.000	0.000	0.000	0.000	0.000
428	A	485	GLU	-1	-0.936	-0.975	55.764	0.010	0.010	0.000	0.000	0.000	0.000
429	A	486	GLY	0	-0.022	-0.001	56.936	0.001	0.001	0.000	0.000	0.000	0.000
430	A	487	ASP	-1	-0.795	-0.892	52.051	0.016	0.016	0.000	0.000	0.000	0.000
431	A	488	PRO	0	-0.026	0.002	52.496	0.000	0.000	0.000	0.000	0.000	0.000
432	A	489	ILE	0	0.036	0.013	49.326	-0.001	-0.001	0.000	0.000	0.000	0.000
433	A	490	GLY	0	-0.002	0.000	52.325	0.001	0.001	0.000	0.000	0.000	0.000
434	A	491	ALA	0	-0.023	-0.004	54.182	0.000	0.000	0.000	0.000	0.000	0.000
435	A	492	LYS	1	0.823	0.892	56.917	-0.004	-0.004	0.000	0.000	0.000	0.000
436	A	493	ILE	0	-0.010	-0.002	55.858	0.000	0.000	0.000	0.000	0.000	0.000
437	A	494	VAL	0	-0.009	-0.003	60.193	0.000	0.000	0.000	0.000	0.000	0.000
438	A	495	VAL	0	-0.031	-0.006	56.518	0.000	0.000	0.000	0.000	0.000	0.000
439	A	496	THR	0	0.033	0.013	59.734	0.000	0.000	0.000	0.000	0.000	0.000
440	A	497	PRO	0	0.017	0.022	58.766	0.000	0.000	0.000	0.000	0.000	0.000
441	A	498	GLY	0	0.023	-0.007	58.333	0.000	0.000	0.000	0.000	0.000	0.000
442	A	499	GLU	-1	-0.925	-0.954	57.267	-0.014	-0.014	0.000	0.000	0.000	0.000
443	A	500	LYS	1	0.859	0.921	55.801	0.013	0.013	0.000	0.000	0.000	0.000
444	A	501	SER	0	-0.058	-0.042	54.574	0.000	0.000	0.000	0.000	0.000	0.000
445	A	502	ASN	0	-0.001	0.009	54.126	0.000	0.000	0.000	0.000	0.000	0.000
446	A	503	ARG	1	0.930	0.962	56.642	0.006	0.006	0.000	0.000	0.000	0.000
447	A	504	ALA	0	0.042	0.016	57.593	0.000	0.000	0.000	0.000	0.000	0.000
448	A	505	VAL	0	0.017	0.023	59.518	0.000	0.000	0.000	0.000	0.000	0.000
449	A	506	LEU	0	0.060	0.030	60.708	0.000	0.000	0.000	0.000	0.000	0.000
450	A	507	ALA	0	-0.018	0.005	62.853	0.000	0.000	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:2:VAL)