FMO DATABASE

FMODB ID: 8JZ8Y

Calculation Name: 1BPO-A-Xray308

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1BPO

Chain ID: A

ChEMBL ID:

UniProt ID: P11442

Base Structure: X-ray

Registration Date: 2021-09-06

Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.

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. 1.20200116

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	488
LigandCharge
Software	ABINIT-MP - Open Ver.1 Rev. 15 / 20190524

Total energy (hartree)

FMO2-HF: Electronic energy	-8844009.743934
FMO2-HF: Nuclear repulsion	8652664.736067
FMO2-HF: Total energy	-191345.007867
FMO2-MP2: Total energy	-191900.74815

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:1:MET )

Summations of interaction energy for fragment #1(A:1: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.
2.358	4.492	1.266	0.374	-3.774	-0.01

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.019 / q_NPA : 0.018

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	3	GLN	0	-0.015	-0.011	2.697	2.780	4.738	1.266	0.407	-3.631	-0.010
4	A	4	ILE	0	0.026	0.032	6.058	0.054	0.054	0.000	0.000	0.000	0.000
5	A	5	LEU	0	0.002	0.000	5.649	0.288	0.288	0.000	0.000	0.000	0.000
6	A	6	PRO	0	0.019	0.006	7.714	-0.157	-0.157	0.000	0.000	0.000	0.000
7	A	7	ILE	0	-0.018	-0.003	9.116	-0.073	-0.073	0.000	0.000	0.000	0.000
8	A	8	ARG	1	0.909	0.947	11.201	-0.022	-0.022	0.000	0.000	0.000	0.000
9	A	9	PHE	0	-0.050	-0.045	10.987	-0.023	-0.023	0.000	0.000	0.000	0.000
10	A	10	GLN	0	0.017	0.008	13.479	0.018	0.018	0.000	0.000	0.000	0.000
11	A	11	GLU	-1	-0.879	-0.947	16.561	-0.040	-0.040	0.000	0.000	0.000	0.000
12	A	12	HIS	0	-0.031	-0.026	19.089	0.008	0.008	0.000	0.000	0.000	0.000
13	A	13	LEU	0	0.020	-0.005	22.552	0.004	0.004	0.000	0.000	0.000	0.000
14	A	14	GLN	0	0.012	0.015	22.052	-0.002	-0.002	0.000	0.000	0.000	0.000
15	A	15	LEU	0	0.036	-0.001	25.083	0.003	0.003	0.000	0.000	0.000	0.000
16	A	16	GLN	0	0.049	0.015	27.001	0.000	0.000	0.000	0.000	0.000	0.000
17	A	17	ASN	0	0.008	0.032	25.672	0.001	0.001	0.000	0.000	0.000	0.000
18	A	18	LEU	0	-0.074	-0.029	29.596	0.002	0.002	0.000	0.000	0.000	0.000
19	A	19	GLY	0	-0.039	-0.032	32.074	0.000	0.000	0.000	0.000	0.000	0.000
20	A	20	ILE	0	-0.066	-0.019	31.663	0.000	0.000	0.000	0.000	0.000	0.000
21	A	21	ASN	0	-0.003	-0.017	32.313	-0.002	-0.002	0.000	0.000	0.000	0.000
22	A	22	PRO	0	0.037	-0.001	29.290	-0.001	-0.001	0.000	0.000	0.000	0.000
23	A	23	ALA	0	-0.062	-0.020	30.802	-0.003	-0.003	0.000	0.000	0.000	0.000
24	A	24	ASN	0	-0.091	-0.062	33.493	0.001	0.001	0.000	0.000	0.000	0.000
25	A	25	ILE	0	0.033	0.047	27.060	0.000	0.000	0.000	0.000	0.000	0.000
26	A	26	GLY	0	0.038	0.003	28.914	-0.004	-0.004	0.000	0.000	0.000	0.000
27	A	27	PHE	0	-0.001	0.003	29.667	0.002	0.002	0.000	0.000	0.000	0.000
28	A	28	SER	0	0.013	0.013	31.026	0.002	0.002	0.000	0.000	0.000	0.000
29	A	29	THR	0	0.002	0.018	33.542	0.002	0.002	0.000	0.000	0.000	0.000
30	A	30	LEU	0	-0.025	0.010	28.810	0.002	0.002	0.000	0.000	0.000	0.000
31	A	31	THR	0	-0.032	-0.011	31.500	-0.002	-0.002	0.000	0.000	0.000	0.000
32	A	32	MET	0	0.028	0.011	24.626	0.002	0.002	0.000	0.000	0.000	0.000
33	A	33	GLU	-1	-0.878	-0.939	29.592	-0.032	-0.032	0.000	0.000	0.000	0.000
34	A	34	SER	0	-0.044	-0.039	29.815	0.000	0.000	0.000	0.000	0.000	0.000
35	A	35	ASP	-1	-0.845	-0.916	26.594	-0.016	-0.016	0.000	0.000	0.000	0.000
36	A	36	LYS	1	0.965	0.979	28.251	0.017	0.017	0.000	0.000	0.000	0.000
37	A	37	PHE	0	-0.008	-0.005	31.595	0.002	0.002	0.000	0.000	0.000	0.000
38	A	38	ILE	0	0.003	0.010	27.344	-0.003	-0.003	0.000	0.000	0.000	0.000
39	A	39	CYS	0	-0.087	-0.037	31.631	0.003	0.003	0.000	0.000	0.000	0.000
40	A	40	ILE	0	0.035	0.021	31.879	-0.002	-0.002	0.000	0.000	0.000	0.000
41	A	41	ARG	1	0.843	0.921	35.172	0.027	0.027	0.000	0.000	0.000	0.000
42	A	42	GLU	-1	-0.737	-0.877	35.737	-0.020	-0.020	0.000	0.000	0.000	0.000
43	A	43	LYS	1	0.866	0.931	39.226	0.017	0.017	0.000	0.000	0.000	0.000
44	A	44	VAL	0	-0.003	0.007	40.714	0.000	0.000	0.000	0.000	0.000	0.000
45	A	45	GLY	0	0.041	0.031	42.978	0.001	0.001	0.000	0.000	0.000	0.000
46	A	46	GLU	-1	-0.882	-0.955	45.464	-0.015	-0.015	0.000	0.000	0.000	0.000
47	A	47	GLN	0	-0.003	-0.017	45.972	-0.001	-0.001	0.000	0.000	0.000	0.000
48	A	48	ALA	0	-0.005	0.011	43.945	-0.001	-0.001	0.000	0.000	0.000	0.000
49	A	49	GLN	0	0.018	-0.002	42.092	0.001	0.001	0.000	0.000	0.000	0.000
50	A	50	VAL	0	-0.025	-0.005	39.205	-0.001	-0.001	0.000	0.000	0.000	0.000
51	A	51	VAL	0	-0.013	-0.016	35.968	0.002	0.002	0.000	0.000	0.000	0.000
52	A	52	ILE	0	-0.025	-0.027	36.158	-0.002	-0.002	0.000	0.000	0.000	0.000
53	A	53	ILE	0	0.012	-0.002	30.736	0.002	0.002	0.000	0.000	0.000	0.000
54	A	54	ASP	-1	-0.742	-0.867	32.966	-0.009	-0.009	0.000	0.000	0.000	0.000
55	A	55	MET	0	-0.026	-0.031	26.583	0.001	0.001	0.000	0.000	0.000	0.000
56	A	56	ASN	0	-0.111	-0.059	29.694	0.004	0.004	0.000	0.000	0.000	0.000
57	A	57	ASP	-1	-0.815	-0.902	32.033	0.003	0.003	0.000	0.000	0.000	0.000
58	A	58	PRO	0	-0.038	-0.014	28.369	-0.001	-0.001	0.000	0.000	0.000	0.000
59	A	59	SER	0	-0.041	-0.018	31.338	-0.001	-0.001	0.000	0.000	0.000	0.000
60	A	60	ASN	0	-0.097	-0.062	32.604	0.000	0.000	0.000	0.000	0.000	0.000
61	A	61	PRO	0	-0.021	-0.003	34.119	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	62	ILE	0	0.021	0.040	36.481	0.001	0.001	0.000	0.000	0.000	0.000
63	A	63	ARG	1	0.884	0.922	37.174	0.012	0.012	0.000	0.000	0.000	0.000
64	A	64	ARG	1	0.866	0.926	41.537	0.010	0.010	0.000	0.000	0.000	0.000
65	A	65	PRO	0	0.010	0.039	43.915	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	66	ILE	0	-0.015	-0.036	43.854	0.000	0.000	0.000	0.000	0.000	0.000
67	A	67	SER	0	0.018	0.015	44.581	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	68	ALA	0	-0.024	-0.015	43.126	0.000	0.000	0.000	0.000	0.000	0.000
69	A	69	ASP	-1	-0.831	-0.904	43.049	-0.022	-0.022	0.000	0.000	0.000	0.000
70	A	70	SER	0	-0.056	-0.028	38.598	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	71	ALA	0	0.056	0.015	38.782	0.002	0.002	0.000	0.000	0.000	0.000
72	A	72	ILE	0	-0.031	0.029	36.154	-0.001	-0.001	0.000	0.000	0.000	0.000
73	A	73	MET	0	0.043	0.005	35.874	0.002	0.002	0.000	0.000	0.000	0.000
74	A	74	ASN	0	0.046	0.042	36.753	-0.001	-0.001	0.000	0.000	0.000	0.000
75	A	75	PRO	0	-0.021	-0.008	34.053	0.000	0.000	0.000	0.000	0.000	0.000
76	A	76	ALA	0	-0.001	-0.014	34.448	0.001	0.001	0.000	0.000	0.000	0.000
77	A	77	SER	0	0.020	0.030	36.869	0.002	0.002	0.000	0.000	0.000	0.000
78	A	78	LYS	1	0.947	0.985	38.642	0.008	0.008	0.000	0.000	0.000	0.000
79	A	79	VAL	0	-0.002	-0.006	40.885	0.001	0.001	0.000	0.000	0.000	0.000
80	A	80	ILE	0	-0.038	-0.030	39.949	-0.001	-0.001	0.000	0.000	0.000	0.000
81	A	81	ALA	0	0.017	0.010	41.078	0.001	0.001	0.000	0.000	0.000	0.000
82	A	82	LEU	0	-0.031	-0.018	41.902	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	83	LYS	1	0.920	0.970	42.579	0.023	0.023	0.000	0.000	0.000	0.000
84	A	84	ALA	0	0.013	0.005	45.062	-0.001	-0.001	0.000	0.000	0.000	0.000
85	A	85	GLY	0	0.052	0.010	46.861	0.001	0.001	0.000	0.000	0.000	0.000
86	A	86	LYS	1	0.880	0.940	47.692	0.019	0.019	0.000	0.000	0.000	0.000
87	A	87	THR	0	-0.052	-0.002	49.661	0.000	0.000	0.000	0.000	0.000	0.000
88	A	88	LEU	0	-0.032	0.000	45.506	0.000	0.000	0.000	0.000	0.000	0.000
89	A	89	GLN	0	0.037	-0.013	46.812	0.002	0.002	0.000	0.000	0.000	0.000
90	A	90	ILE	0	0.018	0.012	45.000	-0.001	-0.001	0.000	0.000	0.000	0.000
91	A	91	PHE	0	-0.094	-0.004	45.812	0.001	0.001	0.000	0.000	0.000	0.000
92	A	92	ASN	0	0.127	0.071	45.368	0.000	0.000	0.000	0.000	0.000	0.000
93	A	93	ILE	0	-0.031	-0.029	41.737	0.001	0.001	0.000	0.000	0.000	0.000
94	A	94	GLU	-1	-0.892	-0.962	44.370	-0.005	-0.005	0.000	0.000	0.000	0.000
95	A	95	MET	0	0.001	0.008	45.482	0.001	0.001	0.000	0.000	0.000	0.000
96	A	96	LYS	1	0.836	0.895	47.085	0.010	0.010	0.000	0.000	0.000	0.000
97	A	97	SER	0	0.086	0.050	49.627	0.000	0.000	0.000	0.000	0.000	0.000
98	A	98	LYS	1	0.850	0.913	49.903	0.011	0.011	0.000	0.000	0.000	0.000
99	A	99	MET	0	0.018	0.014	46.255	0.000	0.000	0.000	0.000	0.000	0.000
100	A	100	LYS	1	0.873	0.955	49.483	0.015	0.015	0.000	0.000	0.000	0.000
101	A	101	ALA	0	-0.035	-0.031	49.855	-0.001	-0.001	0.000	0.000	0.000	0.000
102	A	102	HIS	0	0.044	0.002	50.492	0.001	0.001	0.000	0.000	0.000	0.000
103	A	103	THR	0	-0.028	-0.009	50.883	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	104	MET	0	-0.029	0.007	47.036	0.000	0.000	0.000	0.000	0.000	0.000
105	A	105	THR	0	0.008	0.012	51.309	0.001	0.001	0.000	0.000	0.000	0.000
106	A	106	ASP	-1	-0.842	-0.952	49.108	-0.022	-0.022	0.000	0.000	0.000	0.000
107	A	107	ASP	-1	-0.917	-0.975	46.633	-0.021	-0.021	0.000	0.000	0.000	0.000
108	A	108	VAL	0	-0.086	-0.036	42.170	-0.001	-0.001	0.000	0.000	0.000	0.000
109	A	109	THR	0	0.012	-0.016	40.412	0.000	0.000	0.000	0.000	0.000	0.000
110	A	110	PHE	0	-0.052	-0.005	33.426	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	111	TRP	0	-0.053	-0.044	37.806	0.002	0.002	0.000	0.000	0.000	0.000
112	A	112	LYS	1	0.949	0.962	31.421	0.035	0.035	0.000	0.000	0.000	0.000
113	A	113	TRP	0	-0.050	-0.004	36.273	0.001	0.001	0.000	0.000	0.000	0.000
114	A	114	ILE	0	-0.037	-0.018	35.483	-0.002	-0.002	0.000	0.000	0.000	0.000
115	A	115	SER	0	0.008	-0.020	36.852	0.000	0.000	0.000	0.000	0.000	0.000
116	A	116	LEU	0	0.056	0.016	36.834	0.000	0.000	0.000	0.000	0.000	0.000
117	A	117	ASN	0	0.015	0.001	39.344	0.000	0.000	0.000	0.000	0.000	0.000
118	A	118	THR	0	0.026	0.037	41.040	0.001	0.001	0.000	0.000	0.000	0.000
119	A	119	VAL	0	-0.024	0.000	40.289	-0.001	-0.001	0.000	0.000	0.000	0.000
120	A	120	ALA	0	0.047	0.029	38.881	0.000	0.000	0.000	0.000	0.000	0.000
121	A	121	LEU	0	-0.047	-0.031	40.419	-0.001	-0.001	0.000	0.000	0.000	0.000
122	A	122	VAL	0	0.043	0.021	38.762	0.000	0.000	0.000	0.000	0.000	0.000
123	A	123	THR	0	-0.037	0.016	41.944	0.000	0.000	0.000	0.000	0.000	0.000
124	A	124	ASP	-1	-0.936	-0.973	43.731	-0.031	-0.031	0.000	0.000	0.000	0.000
125	A	125	ASN	0	0.039	0.005	45.252	-0.001	-0.001	0.000	0.000	0.000	0.000
126	A	126	ALA	0	0.044	0.023	45.543	-0.001	-0.001	0.000	0.000	0.000	0.000
127	A	127	VAL	0	0.053	0.048	40.750	0.000	0.000	0.000	0.000	0.000	0.000
128	A	128	TYR	0	0.012	-0.001	43.704	0.001	0.001	0.000	0.000	0.000	0.000
129	A	129	HIS	0	0.079	0.088	41.250	-0.002	-0.002	0.000	0.000	0.000	0.000
130	A	130	TRP	0	-0.028	-0.009	44.409	0.001	0.001	0.000	0.000	0.000	0.000
131	A	131	SER	0	0.066	0.051	45.004	0.000	0.000	0.000	0.000	0.000	0.000
132	A	132	MET	0	-0.070	-0.027	43.247	0.000	0.000	0.000	0.000	0.000	0.000
133	A	133	GLU	-1	-0.814	-0.929	46.817	-0.013	-0.013	0.000	0.000	0.000	0.000
134	A	134	GLY	0	-0.033	-0.021	49.460	0.000	0.000	0.000	0.000	0.000	0.000
135	A	135	GLU	-1	-0.860	-0.938	52.997	-0.012	-0.012	0.000	0.000	0.000	0.000
136	A	136	SER	0	-0.104	-0.024	51.095	0.000	0.000	0.000	0.000	0.000	0.000
137	A	137	GLN	0	0.071	0.017	52.144	0.000	0.000	0.000	0.000	0.000	0.000
138	A	138	PRO	0	-0.046	-0.029	48.266	-0.001	-0.001	0.000	0.000	0.000	0.000
139	A	139	VAL	0	0.024	0.018	48.323	0.000	0.000	0.000	0.000	0.000	0.000
140	A	140	LYS	1	0.783	0.889	47.805	0.024	0.024	0.000	0.000	0.000	0.000
141	A	141	MET	0	-0.027	-0.008	43.829	0.001	0.001	0.000	0.000	0.000	0.000
142	A	142	PHE	0	-0.062	-0.053	40.081	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	143	ASP	-1	-0.779	-0.882	46.208	-0.025	-0.025	0.000	0.000	0.000	0.000
144	A	144	ARG	1	0.852	0.923	40.972	0.033	0.033	0.000	0.000	0.000	0.000
145	A	145	HIS	0	0.068	0.095	41.422	0.001	0.001	0.000	0.000	0.000	0.000
146	A	146	SER	0	0.052	0.011	42.842	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	147	SER	0	-0.049	-0.090	38.947	-0.001	-0.001	0.000	0.000	0.000	0.000
148	A	148	LEU	0	-0.050	-0.029	37.084	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	149	ALA	0	0.015	0.007	39.743	0.001	0.001	0.000	0.000	0.000	0.000
150	A	150	GLY	0	0.016	0.011	41.336	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	151	CYS	0	-0.073	-0.014	36.528	-0.002	-0.002	0.000	0.000	0.000	0.000
152	A	152	GLN	0	-0.040	-0.015	33.440	0.002	0.002	0.000	0.000	0.000	0.000
153	A	153	ILE	0	0.050	0.016	34.521	-0.003	-0.003	0.000	0.000	0.000	0.000
154	A	154	ILE	0	-0.004	-0.012	29.239	0.001	0.001	0.000	0.000	0.000	0.000
155	A	155	ASN	0	0.009	-0.013	29.356	0.003	0.003	0.000	0.000	0.000	0.000
156	A	156	TYR	0	-0.021	-0.065	32.366	-0.001	-0.001	0.000	0.000	0.000	0.000
157	A	157	ARG	1	0.836	0.910	26.395	0.050	0.050	0.000	0.000	0.000	0.000
158	A	158	THR	0	0.009	0.020	33.622	0.001	0.001	0.000	0.000	0.000	0.000
159	A	159	ASP	-1	-0.722	-0.849	33.912	-0.035	-0.035	0.000	0.000	0.000	0.000
160	A	160	ALA	0	0.066	0.024	34.732	0.002	0.002	0.000	0.000	0.000	0.000
161	A	161	LYS	1	0.921	0.956	36.114	0.032	0.032	0.000	0.000	0.000	0.000
162	A	162	GLN	0	-0.003	-0.012	38.454	0.001	0.001	0.000	0.000	0.000	0.000
163	A	163	LYS	1	0.807	0.884	39.701	0.027	0.027	0.000	0.000	0.000	0.000
164	A	164	TRP	0	-0.025	0.019	37.085	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	165	LEU	0	-0.035	-0.016	37.382	0.000	0.000	0.000	0.000	0.000	0.000
166	A	166	LEU	0	-0.009	-0.003	31.280	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	167	LEU	0	0.003	0.012	35.350	0.001	0.001	0.000	0.000	0.000	0.000
168	A	168	THR	0	0.008	0.000	30.296	-0.003	-0.003	0.000	0.000	0.000	0.000
169	A	169	GLY	0	0.021	0.009	33.509	0.002	0.002	0.000	0.000	0.000	0.000
170	A	170	ILE	0	-0.006	0.010	29.389	-0.004	-0.004	0.000	0.000	0.000	0.000
171	A	171	SER	0	0.010	0.005	32.861	0.004	0.004	0.000	0.000	0.000	0.000
172	A	172	ALA	0	-0.006	0.000	33.414	-0.003	-0.003	0.000	0.000	0.000	0.000
173	A	173	GLN	0	0.041	0.013	34.093	0.002	0.002	0.000	0.000	0.000	0.000
174	A	174	GLN	0	0.049	0.029	34.589	-0.002	-0.002	0.000	0.000	0.000	0.000
175	A	175	ASN	0	-0.013	0.000	29.737	0.004	0.004	0.000	0.000	0.000	0.000
176	A	176	ARG	1	0.890	0.949	24.165	0.090	0.090	0.000	0.000	0.000	0.000
177	A	177	VAL	0	-0.008	0.002	27.739	0.003	0.003	0.000	0.000	0.000	0.000
178	A	178	VAL	0	-0.023	0.001	29.363	-0.005	-0.005	0.000	0.000	0.000	0.000
179	A	179	GLY	0	0.009	0.000	30.231	0.003	0.003	0.000	0.000	0.000	0.000
180	A	180	ALA	0	0.007	-0.009	31.154	-0.001	-0.001	0.000	0.000	0.000	0.000
181	A	181	MET	0	-0.018	0.014	29.635	0.001	0.001	0.000	0.000	0.000	0.000
182	A	182	GLN	0	0.017	0.024	34.464	0.000	0.000	0.000	0.000	0.000	0.000
183	A	183	LEU	0	-0.009	-0.002	35.020	0.001	0.001	0.000	0.000	0.000	0.000
184	A	184	TYR	0	0.042	-0.009	37.569	0.001	0.001	0.000	0.000	0.000	0.000
185	A	185	SER	0	-0.055	-0.020	40.653	0.001	0.001	0.000	0.000	0.000	0.000
186	A	186	VAL	0	0.035	0.011	42.464	0.001	0.001	0.000	0.000	0.000	0.000
187	A	187	ASP	-1	-0.802	-0.885	44.612	-0.026	-0.026	0.000	0.000	0.000	0.000
188	A	188	ARG	1	0.891	0.942	41.818	0.036	0.036	0.000	0.000	0.000	0.000
189	A	189	LYS	1	0.950	0.969	46.846	0.024	0.024	0.000	0.000	0.000	0.000
190	A	190	VAL	0	0.057	0.055	43.588	0.000	0.000	0.000	0.000	0.000	0.000
191	A	191	SER	0	-0.055	-0.030	42.161	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	192	GLN	0	-0.042	-0.004	37.973	0.002	0.002	0.000	0.000	0.000	0.000
193	A	193	PRO	0	0.010	-0.002	38.075	-0.001	-0.001	0.000	0.000	0.000	0.000
194	A	194	ILE	0	-0.007	-0.007	32.149	-0.001	-0.001	0.000	0.000	0.000	0.000
195	A	195	GLU	-1	-0.870	-0.916	30.824	-0.072	-0.072	0.000	0.000	0.000	0.000
196	A	196	GLY	0	-0.026	-0.069	28.788	-0.005	-0.005	0.000	0.000	0.000	0.000
197	A	197	HIS	0	-0.048	-0.031	25.308	-0.002	-0.002	0.000	0.000	0.000	0.000
198	A	198	ALA	0	-0.007	0.004	23.874	0.004	0.004	0.000	0.000	0.000	0.000
199	A	199	ALA	0	0.039	0.005	25.988	-0.004	-0.004	0.000	0.000	0.000	0.000
200	A	200	SER	0	-0.056	-0.024	26.025	0.005	0.005	0.000	0.000	0.000	0.000
201	A	201	PHE	0	-0.008	0.010	28.010	-0.003	-0.003	0.000	0.000	0.000	0.000
202	A	202	ALA	0	0.023	0.010	27.494	0.000	0.000	0.000	0.000	0.000	0.000
203	A	203	GLN	0	-0.021	0.017	29.625	-0.002	-0.002	0.000	0.000	0.000	0.000
204	A	204	PHE	0	0.022	-0.004	26.336	-0.002	-0.002	0.000	0.000	0.000	0.000
205	A	205	LYS	1	0.886	0.954	30.746	0.028	0.028	0.000	0.000	0.000	0.000
206	A	206	MET	0	-0.048	0.008	30.530	-0.002	-0.002	0.000	0.000	0.000	0.000
207	A	207	GLU	-1	-0.941	-0.975	28.349	-0.053	-0.053	0.000	0.000	0.000	0.000
208	A	208	GLY	0	0.016	0.013	31.471	-0.001	-0.001	0.000	0.000	0.000	0.000
209	A	209	ASN	0	-0.030	-0.002	34.959	0.001	0.001	0.000	0.000	0.000	0.000
210	A	210	ALA	0	0.078	0.012	36.512	0.001	0.001	0.000	0.000	0.000	0.000
211	A	211	GLU	-1	-0.957	-0.946	38.039	-0.024	-0.024	0.000	0.000	0.000	0.000
212	A	212	GLU	-1	-0.934	-0.973	33.904	-0.032	-0.032	0.000	0.000	0.000	0.000
213	A	213	SER	0	0.042	0.011	32.653	0.001	0.001	0.000	0.000	0.000	0.000
214	A	214	THR	0	-0.030	-0.013	33.722	0.001	0.001	0.000	0.000	0.000	0.000
215	A	215	LEU	0	-0.042	-0.027	28.034	-0.002	-0.002	0.000	0.000	0.000	0.000
216	A	216	PHE	0	0.002	0.001	30.540	0.002	0.002	0.000	0.000	0.000	0.000
217	A	217	CYS	0	-0.020	-0.002	23.757	-0.006	-0.006	0.000	0.000	0.000	0.000
218	A	218	PHE	0	0.037	-0.004	26.349	0.004	0.004	0.000	0.000	0.000	0.000
219	A	219	ALA	0	0.030	0.007	22.430	-0.007	-0.007	0.000	0.000	0.000	0.000
220	A	220	VAL	0	0.011	0.023	24.186	0.007	0.007	0.000	0.000	0.000	0.000
221	A	221	ARG	1	0.841	0.919	20.178	0.123	0.123	0.000	0.000	0.000	0.000
222	A	222	GLY	0	0.035	0.043	24.444	0.000	0.000	0.000	0.000	0.000	0.000
223	A	223	GLN	0	0.037	0.013	27.961	-0.003	-0.003	0.000	0.000	0.000	0.000
224	A	224	ALA	0	-0.017	-0.012	26.806	0.000	0.000	0.000	0.000	0.000	0.000
225	A	225	GLY	0	-0.048	-0.028	23.756	-0.009	-0.009	0.000	0.000	0.000	0.000
226	A	226	GLY	0	-0.010	-0.018	21.165	0.006	0.006	0.000	0.000	0.000	0.000
227	A	227	LYS	1	0.871	0.941	21.500	0.123	0.123	0.000	0.000	0.000	0.000
228	A	228	LEU	0	0.000	0.000	20.022	0.008	0.008	0.000	0.000	0.000	0.000
229	A	229	HIS	0	0.021	0.007	22.985	-0.003	-0.003	0.000	0.000	0.000	0.000
230	A	230	ILE	0	0.054	0.036	22.497	0.004	0.004	0.000	0.000	0.000	0.000
231	A	231	ILE	0	-0.047	-0.027	26.881	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	232	GLU	-1	-0.790	-0.887	30.576	-0.046	-0.046	0.000	0.000	0.000	0.000
233	A	233	VAL	0	-0.030	-0.024	33.376	0.000	0.000	0.000	0.000	0.000	0.000
234	A	234	GLY	0	-0.028	-0.042	36.135	0.003	0.003	0.000	0.000	0.000	0.000
235	A	235	THR	0	-0.071	-0.048	39.278	-0.002	-0.002	0.000	0.000	0.000	0.000
236	A	236	PRO	0	0.023	0.021	38.138	0.001	0.001	0.000	0.000	0.000	0.000
237	A	237	PRO	0	0.056	0.045	38.579	0.002	0.002	0.000	0.000	0.000	0.000
238	A	238	THR	0	-0.002	-0.027	41.658	-0.001	-0.001	0.000	0.000	0.000	0.000
239	A	239	GLY	0	0.006	0.010	43.069	0.001	0.001	0.000	0.000	0.000	0.000
240	A	240	ASN	0	-0.064	-0.023	37.792	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	241	GLN	0	-0.027	-0.019	35.854	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	242	PRO	0	0.041	0.017	36.019	0.000	0.000	0.000	0.000	0.000	0.000
243	A	243	PHE	0	0.029	-0.013	26.515	-0.003	-0.003	0.000	0.000	0.000	0.000
244	A	244	PRO	0	-0.068	-0.029	29.185	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	245	LYS	1	0.913	0.961	27.906	0.079	0.079	0.000	0.000	0.000	0.000
246	A	246	LYS	1	0.875	0.942	24.007	0.084	0.084	0.000	0.000	0.000	0.000
247	A	247	ALA	0	-0.073	-0.056	24.576	0.006	0.006	0.000	0.000	0.000	0.000
248	A	248	VAL	0	0.019	0.050	18.106	-0.005	-0.005	0.000	0.000	0.000	0.000
249	A	249	ASP	-1	-0.867	-0.946	18.679	-0.164	-0.164	0.000	0.000	0.000	0.000
250	A	250	VAL	0	-0.098	-0.036	17.150	-0.014	-0.014	0.000	0.000	0.000	0.000
251	A	251	PHE	0	0.040	0.003	11.632	0.008	0.008	0.000	0.000	0.000	0.000
252	A	252	PHE	0	0.005	-0.030	15.731	0.013	0.013	0.000	0.000	0.000	0.000
253	A	253	PRO	0	0.005	0.028	12.688	0.002	0.002	0.000	0.000	0.000	0.000
254	A	254	PRO	0	0.049	0.008	14.658	0.019	0.019	0.000	0.000	0.000	0.000
255	A	255	GLU	-1	-0.850	-0.937	12.956	-0.241	-0.241	0.000	0.000	0.000	0.000
256	A	256	ALA	0	-0.048	0.007	15.554	0.014	0.014	0.000	0.000	0.000	0.000
257	A	257	GLN	0	0.019	-0.018	17.385	0.006	0.006	0.000	0.000	0.000	0.000
258	A	258	ASN	0	-0.026	-0.006	21.022	-0.004	-0.004	0.000	0.000	0.000	0.000
259	A	259	ASP	-1	-0.710	-0.839	17.447	-0.129	-0.129	0.000	0.000	0.000	0.000
260	A	260	PHE	0	-0.059	-0.039	20.770	0.002	0.002	0.000	0.000	0.000	0.000
261	A	261	PRO	0	-0.030	-0.013	20.897	0.000	0.000	0.000	0.000	0.000	0.000
262	A	262	VAL	0	0.000	-0.002	21.483	0.006	0.006	0.000	0.000	0.000	0.000
263	A	263	ALA	0	0.002	0.016	21.598	0.007	0.007	0.000	0.000	0.000	0.000
264	A	264	MET	0	-0.014	-0.005	21.261	-0.007	-0.007	0.000	0.000	0.000	0.000
265	A	265	GLN	0	0.009	0.010	21.656	0.008	0.008	0.000	0.000	0.000	0.000
266	A	266	ILE	0	0.015	0.006	21.536	-0.007	-0.007	0.000	0.000	0.000	0.000
267	A	267	SER	0	-0.017	0.010	21.257	0.005	0.005	0.000	0.000	0.000	0.000
268	A	268	GLU	-1	-0.810	-0.937	23.097	-0.043	-0.043	0.000	0.000	0.000	0.000
269	A	269	LYS	1	0.888	0.967	23.562	-0.004	-0.004	0.000	0.000	0.000	0.000
270	A	270	HIS	0	-0.055	-0.067	20.476	-0.003	-0.003	0.000	0.000	0.000	0.000
271	A	271	ASP	-1	-0.789	-0.890	21.926	-0.055	-0.055	0.000	0.000	0.000	0.000
272	A	272	VAL	0	-0.006	0.000	17.035	-0.012	-0.012	0.000	0.000	0.000	0.000
273	A	273	VAL	0	-0.031	-0.012	19.652	0.009	0.009	0.000	0.000	0.000	0.000
274	A	274	PHE	0	0.006	-0.005	15.752	-0.011	-0.011	0.000	0.000	0.000	0.000
275	A	275	LEU	0	-0.024	-0.019	17.033	0.004	0.004	0.000	0.000	0.000	0.000
276	A	276	ILE	0	0.032	0.011	16.417	-0.012	-0.012	0.000	0.000	0.000	0.000
277	A	277	THR	0	-0.067	-0.056	16.414	0.005	0.005	0.000	0.000	0.000	0.000
278	A	278	LYS	1	0.962	0.992	18.677	0.078	0.078	0.000	0.000	0.000	0.000
279	A	279	TYR	0	-0.047	-0.056	17.461	0.010	0.010	0.000	0.000	0.000	0.000
280	A	280	GLY	0	0.027	0.029	16.027	-0.011	-0.011	0.000	0.000	0.000	0.000
281	A	281	TYR	0	0.027	-0.003	11.175	-0.007	-0.007	0.000	0.000	0.000	0.000
282	A	282	ILE	0	0.005	0.003	11.220	0.020	0.020	0.000	0.000	0.000	0.000
283	A	283	HIS	1	0.846	0.924	11.832	0.163	0.163	0.000	0.000	0.000	0.000
284	A	284	LEU	0	0.021	0.028	12.665	0.018	0.018	0.000	0.000	0.000	0.000
285	A	285	TYR	0	0.033	0.007	14.457	-0.027	-0.027	0.000	0.000	0.000	0.000
286	A	286	ASP	-1	-0.727	-0.851	17.244	-0.089	-0.089	0.000	0.000	0.000	0.000
287	A	287	LEU	0	-0.034	-0.004	19.102	-0.006	-0.006	0.000	0.000	0.000	0.000
288	A	288	GLU	-1	-0.802	-0.914	22.748	-0.077	-0.077	0.000	0.000	0.000	0.000
289	A	289	THR	0	-0.041	-0.014	20.052	-0.008	-0.008	0.000	0.000	0.000	0.000
290	A	290	GLY	0	0.024	-0.006	20.453	-0.004	-0.004	0.000	0.000	0.000	0.000
291	A	291	THR	0	-0.019	-0.045	14.718	-0.017	-0.017	0.000	0.000	0.000	0.000
292	A	292	CYS	0	-0.074	-0.038	12.404	0.025	0.025	0.000	0.000	0.000	0.000
293	A	293	ILE	0	0.019	0.017	12.140	-0.047	-0.047	0.000	0.000	0.000	0.000
294	A	294	TYR	0	0.048	0.006	5.279	-0.147	-0.147	0.000	0.000	0.000	0.000
295	A	295	MET	0	-0.012	-0.011	8.565	0.009	0.009	0.000	0.000	0.000	0.000
296	A	296	ASN	0	0.027	0.031	4.704	-0.082	-0.039	0.000	-0.001	-0.042	0.000
297	A	297	ARG	1	0.832	0.930	8.195	0.236	0.236	0.000	0.000	0.000	0.000
298	A	298	ILE	0	0.014	0.019	9.659	-0.025	-0.025	0.000	0.000	0.000	0.000
299	A	299	SER	0	-0.016	-0.018	11.919	0.020	0.020	0.000	0.000	0.000	0.000
300	A	300	GLY	0	-0.008	-0.009	14.993	-0.015	-0.015	0.000	0.000	0.000	0.000
301	A	301	GLU	-1	-0.837	-0.935	16.730	-0.063	-0.063	0.000	0.000	0.000	0.000
302	A	302	THR	0	-0.043	-0.005	18.855	-0.005	-0.005	0.000	0.000	0.000	0.000
303	A	303	ILE	0	0.032	0.006	17.095	0.006	0.006	0.000	0.000	0.000	0.000
304	A	304	PHE	0	-0.064	-0.030	21.351	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	305	VAL	0	0.052	0.021	24.216	0.003	0.003	0.000	0.000	0.000	0.000
306	A	306	THR	0	-0.047	-0.033	21.783	-0.002	-0.002	0.000	0.000	0.000	0.000
307	A	307	ALA	0	0.013	0.016	24.030	0.002	0.002	0.000	0.000	0.000	0.000
308	A	308	PRO	0	0.030	0.029	23.969	-0.002	-0.002	0.000	0.000	0.000	0.000
309	A	309	HIS	0	-0.032	-0.046	21.497	0.002	0.002	0.000	0.000	0.000	0.000
310	A	310	GLU	-1	-0.838	-0.940	24.049	-0.020	-0.020	0.000	0.000	0.000	0.000
311	A	311	ALA	0	-0.033	-0.009	24.834	0.002	0.002	0.000	0.000	0.000	0.000
312	A	312	THR	0	-0.025	-0.015	20.276	0.004	0.004	0.000	0.000	0.000	0.000
313	A	313	ALA	0	-0.022	0.011	21.411	0.001	0.001	0.000	0.000	0.000	0.000
314	A	314	GLY	0	-0.005	-0.019	19.617	-0.002	-0.002	0.000	0.000	0.000	0.000
315	A	315	ILE	0	-0.076	-0.021	17.913	-0.004	-0.004	0.000	0.000	0.000	0.000
316	A	316	ILE	0	0.051	0.007	19.405	0.001	0.001	0.000	0.000	0.000	0.000
317	A	317	GLY	0	0.006	-0.020	21.133	-0.002	-0.002	0.000	0.000	0.000	0.000
318	A	318	VAL	0	0.009	0.019	22.136	0.002	0.002	0.000	0.000	0.000	0.000
319	A	319	ASN	0	-0.026	-0.020	18.928	0.003	0.003	0.000	0.000	0.000	0.000
320	A	320	ARG	1	0.937	0.946	22.491	0.059	0.059	0.000	0.000	0.000	0.000
321	A	321	LYS	1	0.869	0.957	20.906	0.067	0.067	0.000	0.000	0.000	0.000
322	A	322	GLY	0	0.069	0.038	24.059	0.005	0.005	0.000	0.000	0.000	0.000
323	A	323	GLN	0	-0.021	0.008	17.552	0.006	0.006	0.000	0.000	0.000	0.000
324	A	324	VAL	0	0.021	0.020	22.139	-0.005	-0.005	0.000	0.000	0.000	0.000
325	A	325	LEU	0	0.000	0.003	16.540	0.002	0.002	0.000	0.000	0.000	0.000
326	A	326	SER	0	0.013	0.010	17.690	0.003	0.003	0.000	0.000	0.000	0.000
327	A	327	VAL	0	-0.002	0.000	13.232	-0.002	-0.002	0.000	0.000	0.000	0.000
328	A	328	CYS	0	-0.042	-0.007	14.908	-0.003	-0.003	0.000	0.000	0.000	0.000
329	A	329	VAL	0	0.059	0.048	14.563	0.012	0.012	0.000	0.000	0.000	0.000
330	A	330	GLU	-1	-0.831	-0.906	13.344	0.099	0.099	0.000	0.000	0.000	0.000
331	A	331	GLU	-1	-0.888	-0.951	15.372	0.022	0.022	0.000	0.000	0.000	0.000
332	A	332	GLU	-1	-0.894	-0.940	17.226	0.065	0.065	0.000	0.000	0.000	0.000
333	A	333	ASN	0	-0.051	-0.024	11.486	0.000	0.000	0.000	0.000	0.000	0.000
334	A	334	ILE	0	-0.037	-0.023	13.030	-0.006	-0.006	0.000	0.000	0.000	0.000
335	A	335	ILE	0	0.061	0.043	13.932	-0.042	-0.042	0.000	0.000	0.000	0.000
336	A	336	PRO	0	0.042	0.016	13.181	-0.050	-0.050	0.000	0.000	0.000	0.000
337	A	337	TYR	0	-0.006	-0.018	6.385	-0.113	-0.113	0.000	0.000	0.000	0.000
338	A	338	ILE	0	-0.034	-0.016	9.599	-0.200	-0.200	0.000	0.000	0.000	0.000
339	A	339	THR	0	0.012	-0.012	11.457	-0.076	-0.076	0.000	0.000	0.000	0.000
340	A	340	ASN	0	-0.045	-0.016	9.258	-0.061	-0.061	0.000	0.000	0.000	0.000
341	A	341	VAL	0	-0.081	-0.023	4.361	-0.271	-0.138	0.000	-0.032	-0.101	0.000
342	A	342	LEU	0	-0.055	-0.023	6.438	-0.334	-0.334	0.000	0.000	0.000	0.000
343	A	343	GLN	0	-0.014	0.000	7.139	0.209	0.209	0.000	0.000	0.000	0.000
344	A	344	ASN	0	0.010	0.025	10.765	0.100	0.100	0.000	0.000	0.000	0.000
345	A	345	PRO	0	0.051	-0.015	13.932	0.033	0.033	0.000	0.000	0.000	0.000
346	A	346	ASP	-1	-0.904	-0.938	16.231	-0.109	-0.109	0.000	0.000	0.000	0.000
347	A	347	LEU	0	-0.026	-0.010	15.353	0.018	0.018	0.000	0.000	0.000	0.000
348	A	348	ALA	0	0.002	0.000	15.554	0.022	0.022	0.000	0.000	0.000	0.000
349	A	349	LEU	0	0.023	-0.005	17.489	0.026	0.026	0.000	0.000	0.000	0.000
350	A	350	ARG	1	0.908	0.974	20.936	0.075	0.075	0.000	0.000	0.000	0.000
351	A	351	MET	0	0.024	0.022	17.598	0.012	0.012	0.000	0.000	0.000	0.000
352	A	352	ALA	0	-0.006	-0.001	20.405	0.012	0.012	0.000	0.000	0.000	0.000
353	A	353	VAL	0	-0.001	-0.005	22.048	0.009	0.009	0.000	0.000	0.000	0.000
354	A	354	ARG	1	0.728	0.873	21.226	0.074	0.074	0.000	0.000	0.000	0.000
355	A	355	ASN	0	-0.024	-0.012	23.027	-0.004	-0.004	0.000	0.000	0.000	0.000
356	A	356	ASN	0	0.027	0.012	24.999	0.009	0.009	0.000	0.000	0.000	0.000
357	A	357	LEU	0	-0.026	-0.024	19.637	0.007	0.007	0.000	0.000	0.000	0.000
358	A	358	ALA	0	0.024	0.008	21.119	-0.008	-0.008	0.000	0.000	0.000	0.000
359	A	359	GLY	0	0.060	0.026	18.437	-0.002	-0.002	0.000	0.000	0.000	0.000
360	A	360	ALA	0	-0.002	0.000	17.984	-0.009	-0.009	0.000	0.000	0.000	0.000
361	A	361	GLU	-1	-0.844	-0.937	20.006	0.029	0.029	0.000	0.000	0.000	0.000
362	A	362	GLU	-1	-0.803	-0.901	19.455	0.010	0.010	0.000	0.000	0.000	0.000
363	A	363	LEU	0	-0.024	-0.019	17.351	-0.004	-0.004	0.000	0.000	0.000	0.000
364	A	364	PHE	0	0.042	0.011	21.706	-0.006	-0.006	0.000	0.000	0.000	0.000
365	A	365	ALA	0	0.019	0.027	24.968	0.000	0.000	0.000	0.000	0.000	0.000
366	A	366	ARG	1	0.841	0.912	19.957	0.012	0.012	0.000	0.000	0.000	0.000
367	A	367	LYS	1	0.982	1.005	25.077	0.048	0.048	0.000	0.000	0.000	0.000
368	A	368	PHE	0	0.030	0.025	26.793	-0.001	-0.001	0.000	0.000	0.000	0.000
369	A	369	ASN	0	-0.033	-0.035	28.463	0.001	0.001	0.000	0.000	0.000	0.000
370	A	370	ALA	0	-0.019	-0.008	28.161	0.001	0.001	0.000	0.000	0.000	0.000
371	A	371	LEU	0	0.014	0.010	30.174	0.000	0.000	0.000	0.000	0.000	0.000
372	A	372	PHE	0	0.002	-0.009	32.507	0.002	0.002	0.000	0.000	0.000	0.000
373	A	373	ALA	0	-0.036	-0.010	33.353	0.001	0.001	0.000	0.000	0.000	0.000
374	A	374	GLN	0	-0.066	-0.038	31.729	0.000	0.000	0.000	0.000	0.000	0.000
375	A	375	GLY	0	0.031	0.028	35.914	0.000	0.000	0.000	0.000	0.000	0.000
376	A	376	ASN	0	0.002	-0.003	34.715	0.002	0.002	0.000	0.000	0.000	0.000
377	A	377	TYR	0	0.017	-0.023	36.111	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	378	SER	0	0.065	0.044	37.982	0.001	0.001	0.000	0.000	0.000	0.000
379	A	379	GLU	-1	-0.876	-0.922	31.995	-0.034	-0.034	0.000	0.000	0.000	0.000
380	A	380	ALA	0	-0.039	-0.043	32.961	0.000	0.000	0.000	0.000	0.000	0.000
381	A	381	ALA	0	0.014	0.007	33.562	0.002	0.002	0.000	0.000	0.000	0.000
382	A	382	LYS	1	0.933	0.975	31.267	0.039	0.039	0.000	0.000	0.000	0.000
383	A	383	VAL	0	-0.046	-0.036	28.333	0.000	0.000	0.000	0.000	0.000	0.000
384	A	384	ALA	0	0.003	-0.008	30.366	0.002	0.002	0.000	0.000	0.000	0.000
385	A	385	ALA	0	-0.029	-0.007	32.427	0.003	0.003	0.000	0.000	0.000	0.000
386	A	386	ASN	0	-0.033	-0.019	30.193	0.001	0.001	0.000	0.000	0.000	0.000
387	A	387	ALA	0	-0.025	0.009	27.297	-0.002	-0.002	0.000	0.000	0.000	0.000
388	A	388	PRO	0	-0.009	-0.007	24.186	0.003	0.003	0.000	0.000	0.000	0.000
389	A	389	LYS	1	0.865	0.927	24.640	-0.012	-0.012	0.000	0.000	0.000	0.000
390	A	390	GLY	0	0.025	0.031	28.877	0.003	0.003	0.000	0.000	0.000	0.000
391	A	391	ILE	0	-0.004	0.011	26.042	0.002	0.002	0.000	0.000	0.000	0.000
392	A	392	LEU	0	-0.016	-0.005	28.753	0.002	0.002	0.000	0.000	0.000	0.000
393	A	393	ARG	1	0.795	0.934	31.640	0.000	0.000	0.000	0.000	0.000	0.000
394	A	394	THR	0	0.015	-0.006	33.071	0.001	0.001	0.000	0.000	0.000	0.000
395	A	395	PRO	0	0.047	-0.004	36.010	-0.002	-0.002	0.000	0.000	0.000	0.000
396	A	396	ASP	-1	-0.895	-0.949	35.436	0.015	0.015	0.000	0.000	0.000	0.000
397	A	397	THR	0	-0.023	-0.028	34.228	-0.002	-0.002	0.000	0.000	0.000	0.000
398	A	398	ILE	0	0.018	0.018	36.703	-0.002	-0.002	0.000	0.000	0.000	0.000
399	A	399	ARG	1	0.961	0.969	39.397	-0.014	-0.014	0.000	0.000	0.000	0.000
400	A	400	ARG	1	0.870	0.968	33.839	-0.001	-0.001	0.000	0.000	0.000	0.000
401	A	401	PHE	0	0.012	-0.009	36.540	-0.001	-0.001	0.000	0.000	0.000	0.000
402	A	402	GLN	0	-0.075	-0.046	41.040	0.000	0.000	0.000	0.000	0.000	0.000
403	A	403	SER	0	-0.035	-0.006	41.903	0.001	0.001	0.000	0.000	0.000	0.000
404	A	404	VAL	0	-0.081	-0.027	41.464	0.000	0.000	0.000	0.000	0.000	0.000
405	A	405	PRO	0	-0.002	0.005	44.165	0.000	0.000	0.000	0.000	0.000	0.000
406	A	406	ALA	0	-0.010	-0.007	47.455	-0.001	-0.001	0.000	0.000	0.000	0.000
407	A	407	GLN	0	-0.020	-0.057	49.116	0.001	0.001	0.000	0.000	0.000	0.000
408	A	408	PRO	0	0.019	0.014	50.951	-0.001	-0.001	0.000	0.000	0.000	0.000
409	A	409	GLY	0	0.041	0.047	53.227	-0.001	-0.001	0.000	0.000	0.000	0.000
410	A	410	GLN	0	-0.018	0.004	47.643	0.000	0.000	0.000	0.000	0.000	0.000
411	A	411	THR	0	0.007	0.008	46.912	0.001	0.001	0.000	0.000	0.000	0.000
412	A	412	SER	0	0.011	-0.005	45.998	-0.001	-0.001	0.000	0.000	0.000	0.000
413	A	413	PRO	0	0.091	0.032	41.103	-0.001	-0.001	0.000	0.000	0.000	0.000
414	A	414	LEU	0	-0.014	0.015	41.534	0.000	0.000	0.000	0.000	0.000	0.000
415	A	415	LEU	0	0.033	0.017	43.178	0.000	0.000	0.000	0.000	0.000	0.000
416	A	416	GLN	0	-0.021	-0.011	41.750	-0.002	-0.002	0.000	0.000	0.000	0.000
417	A	417	TYR	0	0.001	0.007	36.016	-0.001	-0.001	0.000	0.000	0.000	0.000
418	A	418	PHE	0	0.035	-0.019	40.344	0.000	0.000	0.000	0.000	0.000	0.000
419	A	419	GLY	0	-0.011	0.011	42.812	0.000	0.000	0.000	0.000	0.000	0.000
420	A	420	ILE	0	0.057	0.019	36.813	0.000	0.000	0.000	0.000	0.000	0.000
421	A	421	LEU	0	-0.093	-0.031	37.236	0.000	0.000	0.000	0.000	0.000	0.000
422	A	422	LEU	0	-0.024	-0.024	40.054	0.000	0.000	0.000	0.000	0.000	0.000
423	A	423	ASP	-1	-0.969	-0.963	41.041	-0.013	-0.013	0.000	0.000	0.000	0.000
424	A	424	GLN	0	-0.086	-0.055	34.555	0.002	0.002	0.000	0.000	0.000	0.000
425	A	425	GLY	0	0.002	0.008	39.148	0.000	0.000	0.000	0.000	0.000	0.000
426	A	426	GLN	0	-0.038	-0.021	40.821	0.001	0.001	0.000	0.000	0.000	0.000
427	A	427	LEU	0	-0.043	-0.029	40.690	0.000	0.000	0.000	0.000	0.000	0.000
428	A	428	ASN	0	0.076	0.039	38.475	0.001	0.001	0.000	0.000	0.000	0.000
429	A	429	LYS	1	1.005	1.004	42.038	-0.012	-0.012	0.000	0.000	0.000	0.000
430	A	430	TYR	0	0.013	0.009	41.820	0.000	0.000	0.000	0.000	0.000	0.000
431	A	431	GLU	-1	-0.714	-0.853	38.609	0.001	0.001	0.000	0.000	0.000	0.000
432	A	432	SER	0	0.013	0.001	43.422	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	433	LEU	0	-0.004	0.030	46.537	-0.001	-0.001	0.000	0.000	0.000	0.000
434	A	434	GLU	-1	-0.881	-0.961	44.967	0.005	0.005	0.000	0.000	0.000	0.000
435	A	435	LEU	0	-0.080	-0.005	46.336	-0.001	-0.001	0.000	0.000	0.000	0.000
436	A	436	CYS	0	-0.006	-0.026	48.085	-0.001	-0.001	0.000	0.000	0.000	0.000
437	A	437	ARG	1	0.939	0.989	48.988	-0.006	-0.006	0.000	0.000	0.000	0.000
438	A	438	PRO	0	0.002	0.010	50.798	0.000	0.000	0.000	0.000	0.000	0.000
439	A	439	VAL	0	0.025	0.006	52.383	0.000	0.000	0.000	0.000	0.000	0.000
440	A	440	LEU	0	-0.006	-0.010	54.759	0.000	0.000	0.000	0.000	0.000	0.000
441	A	441	GLN	0	-0.034	-0.020	56.570	0.000	0.000	0.000	0.000	0.000	0.000
442	A	442	GLN	0	-0.079	-0.028	56.088	-0.001	-0.001	0.000	0.000	0.000	0.000
443	A	443	GLY	0	0.057	0.026	60.146	0.000	0.000	0.000	0.000	0.000	0.000
444	A	444	ARG	1	0.859	0.929	58.885	0.002	0.002	0.000	0.000	0.000	0.000
445	A	445	LYS	1	0.860	0.913	58.113	0.001	0.001	0.000	0.000	0.000	0.000
446	A	446	GLN	0	-0.016	0.000	58.347	0.000	0.000	0.000	0.000	0.000	0.000
447	A	447	LEU	0	0.009	0.018	52.625	0.000	0.000	0.000	0.000	0.000	0.000
448	A	448	LEU	0	0.061	0.023	53.364	0.000	0.000	0.000	0.000	0.000	0.000
449	A	449	GLU	-1	-0.784	-0.895	54.126	-0.001	-0.001	0.000	0.000	0.000	0.000
450	A	450	LYS	1	0.870	0.954	51.100	0.007	0.007	0.000	0.000	0.000	0.000
451	A	451	TRP	0	0.095	0.030	49.506	0.000	0.000	0.000	0.000	0.000	0.000
452	A	452	LEU	0	0.006	-0.001	50.169	0.000	0.000	0.000	0.000	0.000	0.000
453	A	453	LYS	1	0.868	0.939	51.622	0.003	0.003	0.000	0.000	0.000	0.000
454	A	454	GLU	-1	-0.857	-0.946	48.884	-0.006	-0.006	0.000	0.000	0.000	0.000
455	A	455	ASP	-1	-0.929	-0.926	46.810	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	456	LYS	1	0.799	0.894	44.851	0.006	0.006	0.000	0.000	0.000	0.000
457	A	457	LEU	0	-0.027	-0.011	45.072	0.000	0.000	0.000	0.000	0.000	0.000
458	A	458	GLU	-1	-0.833	-0.896	42.841	0.010	0.010	0.000	0.000	0.000	0.000
459	A	459	CYS	0	-0.099	-0.040	45.955	0.000	0.000	0.000	0.000	0.000	0.000
460	A	460	SER	0	0.013	-0.032	47.861	0.001	0.001	0.000	0.000	0.000	0.000
461	A	461	GLU	-1	-0.915	-0.960	49.828	0.009	0.009	0.000	0.000	0.000	0.000
462	A	462	GLU	-1	-0.837	-0.911	50.009	0.009	0.009	0.000	0.000	0.000	0.000
463	A	463	LEU	0	0.005	-0.029	49.599	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	464	GLY	0	-0.003	-0.002	52.482	-0.001	-0.001	0.000	0.000	0.000	0.000
465	A	465	ASP	-1	-0.794	-0.828	55.462	0.007	0.007	0.000	0.000	0.000	0.000
466	A	466	LEU	0	-0.087	-0.041	53.400	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	467	VAL	0	-0.025	-0.019	55.597	-0.001	-0.001	0.000	0.000	0.000	0.000
468	A	468	LYS	1	0.958	0.964	58.255	-0.006	-0.006	0.000	0.000	0.000	0.000
469	A	469	SER	0	-0.080	-0.026	60.716	0.000	0.000	0.000	0.000	0.000	0.000
470	A	470	VAL	0	-0.025	-0.006	59.966	0.000	0.000	0.000	0.000	0.000	0.000
471	A	471	ASP	-1	-0.849	-0.937	61.397	0.000	0.000	0.000	0.000	0.000	0.000
472	A	472	PRO	0	0.077	0.036	61.749	0.000	0.000	0.000	0.000	0.000	0.000
473	A	473	THR	0	0.026	0.001	62.218	0.000	0.000	0.000	0.000	0.000	0.000
474	A	474	LEU	0	-0.022	-0.017	57.636	0.000	0.000	0.000	0.000	0.000	0.000
475	A	475	ALA	0	0.017	0.027	57.575	0.000	0.000	0.000	0.000	0.000	0.000
476	A	476	LEU	0	0.007	0.014	57.792	0.001	0.001	0.000	0.000	0.000	0.000
477	A	477	SER	0	0.001	-0.003	56.589	0.000	0.000	0.000	0.000	0.000	0.000
478	A	478	VAL	0	0.067	0.038	52.768	0.000	0.000	0.000	0.000	0.000	0.000
479	A	479	TYR	0	-0.105	-0.135	53.049	0.000	0.000	0.000	0.000	0.000	0.000
480	A	480	LEU	0	-0.047	-0.024	53.736	0.001	0.001	0.000	0.000	0.000	0.000
481	A	481	ARG	1	0.866	0.919	50.336	0.000	0.000	0.000	0.000	0.000	0.000
482	A	482	ALA	0	-0.081	-0.026	49.245	0.001	0.001	0.000	0.000	0.000	0.000
483	A	483	ASN	0	-0.059	-0.024	48.904	0.001	0.001	0.000	0.000	0.000	0.000
484	A	484	VAL	0	0.009	0.007	51.499	0.001	0.001	0.000	0.000	0.000	0.000
485	A	485	PRO	0	-0.001	-0.007	52.982	0.000	0.000	0.000	0.000	0.000	0.000
486	A	486	ASN	0	0.014	0.013	55.839	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	487	LYS	1	0.924	0.949	54.408	-0.011	-0.011	0.000	0.000	0.000	0.000
488	A	488	NME	0	0.004	0.023	59.880	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:1:MET )