FMO DATABASE

FMODB ID: N214Q

Calculation Name: 3VLD-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3VLD

Chain ID: A

ChEMBL ID:

UniProt ID: P38348

Base Structure: X-ray

Registration Date: 2023-09-26

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	457
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-8203363.616863
FMO2-HF: Nuclear repulsion	8018948.57055
FMO2-HF: Total energy	-184415.046313
FMO2-MP2: Total energy	-184957.267114

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:9:VAL)

Summations of interaction energy for fragment #1(A:9: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.
-6.89	-1.389	0.528	-2.044	-3.986	-0.004

Interaction energy analysis for fragmet #1(A:9:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.007 / q_NPA : -0.013

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	11	ASN	0	0.051	-0.003	3.512	-1.572	0.543	0.013	-0.813	-1.316	0.001
4	A	12	LEU	0	-0.033	0.000	2.698	-1.307	-0.250	0.433	-0.313	-1.177	-0.001
5	A	13	LEU	0	-0.041	-0.031	3.390	-1.077	-0.110	0.016	-0.333	-0.649	0.000
6	A	14	THR	0	0.053	0.024	5.734	0.279	0.279	0.000	0.000	0.000	0.000
7	A	15	GLN	0	-0.029	-0.011	7.862	0.009	0.009	0.000	0.000	0.000	0.000
8	A	16	LEU	0	-0.020	0.014	7.847	-0.040	-0.040	0.000	0.000	0.000	0.000
9	A	17	GLU	-1	-0.879	-0.982	9.759	-0.310	-0.310	0.000	0.000	0.000	0.000
10	A	18	ASN	0	0.002	-0.008	11.774	-0.018	-0.018	0.000	0.000	0.000	0.000
11	A	19	GLU	-1	-0.879	-0.945	12.903	0.235	0.235	0.000	0.000	0.000	0.000
12	A	20	LEU	0	-0.008	-0.005	12.946	-0.024	-0.024	0.000	0.000	0.000	0.000
13	A	21	ASN	0	-0.091	-0.047	15.671	-0.002	-0.002	0.000	0.000	0.000	0.000
14	A	22	GLU	-1	-0.931	-0.969	17.584	0.062	0.062	0.000	0.000	0.000	0.000
15	A	23	ASP	-1	-0.935	-0.940	17.939	0.059	0.059	0.000	0.000	0.000	0.000
16	A	24	ASN	0	-0.133	-0.082	20.694	-0.014	-0.014	0.000	0.000	0.000	0.000
17	A	25	LEU	0	-0.003	-0.014	20.063	0.000	0.000	0.000	0.000	0.000	0.000
18	A	26	PRO	0	0.056	0.046	16.726	-0.001	-0.001	0.000	0.000	0.000	0.000
19	A	27	GLU	-1	-0.951	-0.987	19.230	-0.112	-0.112	0.000	0.000	0.000	0.000
20	A	28	ASP	-1	-0.955	-0.984	13.299	-0.296	-0.296	0.000	0.000	0.000	0.000
21	A	29	ILE	0	0.065	0.049	14.678	-0.070	-0.070	0.000	0.000	0.000	0.000
22	A	30	ASN	0	0.059	0.012	14.734	-0.053	-0.053	0.000	0.000	0.000	0.000
23	A	31	THR	0	-0.059	-0.038	12.335	-0.051	-0.051	0.000	0.000	0.000	0.000
24	A	32	LEU	0	0.069	0.042	8.822	-0.156	-0.156	0.000	0.000	0.000	0.000
25	A	33	LEU	0	0.051	0.036	10.001	-0.164	-0.164	0.000	0.000	0.000	0.000
26	A	34	ARG	1	0.893	0.954	11.532	0.380	0.380	0.000	0.000	0.000	0.000
27	A	35	LYS	1	0.842	0.925	7.083	0.729	0.729	0.000	0.000	0.000	0.000
28	A	36	CYS	0	0.031	0.028	7.094	-0.402	-0.402	0.000	0.000	0.000	0.000
29	A	37	SER	0	0.039	0.008	8.111	-0.106	-0.106	0.000	0.000	0.000	0.000
30	A	38	LEU	0	-0.071	-0.036	8.442	0.023	0.023	0.000	0.000	0.000	0.000
31	A	39	ASN	0	-0.086	-0.069	3.372	-2.606	-1.476	0.056	-0.538	-0.649	-0.004
32	A	40	LEU	0	0.041	0.033	5.910	-0.036	-0.036	0.000	0.000	0.000	0.000
33	A	41	VAL	0	-0.039	-0.007	7.800	0.154	0.154	0.000	0.000	0.000	0.000
34	A	42	THR	0	-0.110	-0.042	6.438	-0.065	-0.065	0.000	0.000	0.000	0.000
35	A	43	VAL	0	-0.033	-0.007	3.469	-0.109	0.123	0.010	-0.047	-0.195	0.000
36	A	44	VAL	0	0.040	0.019	6.802	0.082	0.082	0.000	0.000	0.000	0.000
37	A	45	SER	0	-0.025	-0.019	9.207	0.056	0.056	0.000	0.000	0.000	0.000
38	A	46	LEU	0	0.032	0.019	7.956	-0.049	-0.049	0.000	0.000	0.000	0.000
39	A	47	PRO	0	-0.107	-0.048	6.736	0.148	0.148	0.000	0.000	0.000	0.000
40	A	48	ASP	-1	-0.921	-0.959	8.990	0.306	0.306	0.000	0.000	0.000	0.000
41	A	49	MET	0	-0.071	-0.028	8.985	0.159	0.159	0.000	0.000	0.000	0.000
42	A	50	ASP	-1	-0.810	-0.906	12.076	0.107	0.107	0.000	0.000	0.000	0.000
43	A	51	VAL	0	0.040	0.010	12.362	0.010	0.010	0.000	0.000	0.000	0.000
44	A	52	LYS	1	0.884	0.949	14.902	-0.209	-0.209	0.000	0.000	0.000	0.000
45	A	53	PRO	0	-0.028	0.000	16.390	-0.036	-0.036	0.000	0.000	0.000	0.000
46	A	54	LEU	0	0.094	0.063	12.331	-0.017	-0.017	0.000	0.000	0.000	0.000
47	A	55	LEU	0	-0.004	-0.002	16.072	-0.041	-0.041	0.000	0.000	0.000	0.000
48	A	56	ALA	0	-0.031	-0.032	18.411	-0.016	-0.016	0.000	0.000	0.000	0.000
49	A	57	THR	0	-0.081	-0.052	18.165	-0.009	-0.009	0.000	0.000	0.000	0.000
50	A	58	ILE	0	0.029	0.006	15.463	-0.010	-0.010	0.000	0.000	0.000	0.000
51	A	59	LYS	1	0.856	0.950	19.940	0.008	0.008	0.000	0.000	0.000	0.000
52	A	60	ARG	1	0.926	0.972	21.989	-0.018	-0.018	0.000	0.000	0.000	0.000
53	A	61	PHE	0	0.004	-0.006	21.052	-0.005	-0.005	0.000	0.000	0.000	0.000
54	A	62	LEU	0	-0.057	-0.022	21.948	-0.003	-0.003	0.000	0.000	0.000	0.000
55	A	63	THR	0	-0.079	-0.048	25.281	0.005	0.005	0.000	0.000	0.000	0.000
56	A	64	SER	0	-0.017	0.017	27.229	0.011	0.011	0.000	0.000	0.000	0.000
57	A	65	ASN	0	-0.044	-0.033	28.947	-0.007	-0.007	0.000	0.000	0.000	0.000
58	A	66	VAL	0	-0.067	-0.030	29.309	0.001	0.001	0.000	0.000	0.000	0.000
59	A	67	SER	0	0.039	0.023	28.148	-0.006	-0.006	0.000	0.000	0.000	0.000
60	A	68	TYR	0	-0.001	-0.011	24.569	0.008	0.008	0.000	0.000	0.000	0.000
61	A	69	ASP	-1	-0.881	-0.948	25.561	-0.089	-0.089	0.000	0.000	0.000	0.000
62	A	70	SER	0	-0.071	-0.041	22.736	-0.008	-0.008	0.000	0.000	0.000	0.000
63	A	71	LEU	0	-0.001	0.016	18.785	-0.017	-0.017	0.000	0.000	0.000	0.000
64	A	72	ASN	0	-0.015	-0.002	19.151	0.012	0.012	0.000	0.000	0.000	0.000
65	A	73	TYR	0	0.107	0.033	19.650	-0.022	-0.022	0.000	0.000	0.000	0.000
66	A	74	ASP	-1	-0.893	-0.935	20.901	-0.196	-0.196	0.000	0.000	0.000	0.000
67	A	75	TYR	0	-0.092	-0.068	15.902	-0.030	-0.030	0.000	0.000	0.000	0.000
68	A	76	LEU	0	0.051	0.039	15.969	-0.038	-0.038	0.000	0.000	0.000	0.000
69	A	77	LEU	0	-0.004	-0.012	17.198	-0.005	-0.005	0.000	0.000	0.000	0.000
70	A	78	ASP	-1	-0.901	-0.936	15.102	-0.436	-0.436	0.000	0.000	0.000	0.000
71	A	79	VAL	0	0.039	0.030	11.976	-0.032	-0.032	0.000	0.000	0.000	0.000
72	A	80	VAL	0	-0.023	-0.010	14.134	0.011	0.011	0.000	0.000	0.000	0.000
73	A	81	ASP	-1	-0.953	-0.993	16.774	-0.245	-0.245	0.000	0.000	0.000	0.000
74	A	82	LYS	1	0.821	0.913	12.141	0.421	0.421	0.000	0.000	0.000	0.000
75	A	83	LEU	0	0.039	0.015	10.912	0.003	0.003	0.000	0.000	0.000	0.000
76	A	84	VAL	0	-0.033	-0.017	13.317	0.051	0.051	0.000	0.000	0.000	0.000
77	A	85	PRO	0	-0.054	-0.017	15.184	0.033	0.033	0.000	0.000	0.000	0.000
78	A	86	MET	0	-0.071	-0.023	10.910	-0.007	-0.007	0.000	0.000	0.000	0.000
79	A	87	ALA	0	-0.013	0.008	13.371	0.043	0.043	0.000	0.000	0.000	0.000
80	A	88	ASP	-1	-0.846	-0.899	15.396	0.046	0.046	0.000	0.000	0.000	0.000
81	A	89	PHE	0	0.026	-0.020	18.525	-0.001	-0.001	0.000	0.000	0.000	0.000
82	A	90	ASP	-1	-0.911	-0.962	21.369	0.032	0.032	0.000	0.000	0.000	0.000
83	A	91	ASP	-1	-0.837	-0.929	18.930	0.126	0.126	0.000	0.000	0.000	0.000
84	A	92	VAL	0	-0.069	-0.038	18.691	-0.007	-0.007	0.000	0.000	0.000	0.000
85	A	93	LEU	0	-0.063	-0.022	21.142	-0.006	-0.006	0.000	0.000	0.000	0.000
86	A	94	GLU	-1	-0.981	-0.991	23.571	0.085	0.085	0.000	0.000	0.000	0.000
87	A	95	VAL	0	-0.089	-0.017	20.858	0.001	0.001	0.000	0.000	0.000	0.000
88	A	96	TYR	0	-0.051	-0.047	21.388	-0.010	-0.010	0.000	0.000	0.000	0.000
89	A	97	SER	0	0.044	0.025	25.815	-0.002	-0.002	0.000	0.000	0.000	0.000
90	A	98	ALA	0	0.052	-0.006	28.996	-0.007	-0.007	0.000	0.000	0.000	0.000
91	A	99	GLU	-1	-0.934	-0.977	31.512	-0.018	-0.018	0.000	0.000	0.000	0.000
92	A	100	ASP	-1	-0.825	-0.913	28.865	-0.008	-0.008	0.000	0.000	0.000	0.000
93	A	101	LEU	0	0.008	0.010	26.374	-0.007	-0.007	0.000	0.000	0.000	0.000
94	A	102	VAL	0	0.013	0.020	30.272	-0.006	-0.006	0.000	0.000	0.000	0.000
95	A	103	LYS	1	0.891	0.941	32.942	0.007	0.007	0.000	0.000	0.000	0.000
96	A	104	ALA	0	0.007	0.005	29.338	-0.002	-0.002	0.000	0.000	0.000	0.000
97	A	105	LEU	0	0.005	0.004	30.356	-0.006	-0.006	0.000	0.000	0.000	0.000
98	A	106	ARG	1	0.881	0.938	33.057	0.031	0.031	0.000	0.000	0.000	0.000
99	A	107	SER	0	-0.020	0.009	32.299	0.002	0.002	0.000	0.000	0.000	0.000
100	A	108	GLU	-1	-0.921	-0.974	34.779	-0.049	-0.049	0.000	0.000	0.000	0.000
101	A	109	ILE	0	-0.027	-0.008	28.833	-0.004	-0.004	0.000	0.000	0.000	0.000
102	A	110	ASP	-1	-0.792	-0.907	29.889	-0.087	-0.087	0.000	0.000	0.000	0.000
103	A	111	PRO	0	-0.014	-0.021	24.871	-0.005	-0.005	0.000	0.000	0.000	0.000
104	A	112	LEU	0	0.028	0.018	25.309	-0.006	-0.006	0.000	0.000	0.000	0.000
105	A	113	LYS	1	0.923	0.985	26.982	0.065	0.065	0.000	0.000	0.000	0.000
106	A	114	VAL	0	0.020	0.007	23.526	-0.002	-0.002	0.000	0.000	0.000	0.000
107	A	115	ALA	0	0.009	0.009	22.702	-0.008	-0.008	0.000	0.000	0.000	0.000
108	A	116	ALA	0	0.030	-0.001	23.621	0.002	0.002	0.000	0.000	0.000	0.000
109	A	117	CYS	0	-0.028	-0.014	26.185	0.006	0.006	0.000	0.000	0.000	0.000
110	A	118	ARG	1	0.946	0.989	20.763	0.185	0.185	0.000	0.000	0.000	0.000
111	A	119	VAL	0	0.011	0.016	22.054	0.000	0.000	0.000	0.000	0.000	0.000
112	A	120	ILE	0	-0.020	-0.008	23.326	0.007	0.007	0.000	0.000	0.000	0.000
113	A	121	GLU	-1	-0.893	-0.952	22.959	-0.145	-0.145	0.000	0.000	0.000	0.000
114	A	122	ASN	0	-0.076	-0.058	20.197	-0.004	-0.004	0.000	0.000	0.000	0.000
115	A	123	SER	0	-0.033	-0.010	22.862	0.013	0.013	0.000	0.000	0.000	0.000
116	A	124	GLN	0	-0.039	0.000	22.858	0.006	0.006	0.000	0.000	0.000	0.000
117	A	125	PRO	0	0.050	0.010	25.823	0.008	0.008	0.000	0.000	0.000	0.000
118	A	126	LYS	1	0.902	0.938	26.430	0.073	0.073	0.000	0.000	0.000	0.000
119	A	127	GLY	0	0.045	0.026	29.146	-0.002	-0.002	0.000	0.000	0.000	0.000
120	A	128	LEU	0	-0.077	-0.019	27.961	0.003	0.003	0.000	0.000	0.000	0.000
121	A	129	PHE	0	0.055	0.009	27.374	0.005	0.005	0.000	0.000	0.000	0.000
122	A	130	ALA	0	0.021	0.018	32.741	-0.001	-0.001	0.000	0.000	0.000	0.000
123	A	131	THR	0	-0.063	-0.033	35.704	0.000	0.000	0.000	0.000	0.000	0.000
124	A	132	SER	0	-0.040	-0.014	34.999	0.002	0.002	0.000	0.000	0.000	0.000
125	A	133	ASN	0	0.007	-0.020	37.405	-0.001	-0.001	0.000	0.000	0.000	0.000
126	A	134	ILE	0	0.021	0.017	31.267	-0.002	-0.002	0.000	0.000	0.000	0.000
127	A	135	ILE	0	0.035	0.013	32.949	-0.004	-0.004	0.000	0.000	0.000	0.000
128	A	136	ASP	-1	-0.726	-0.834	35.652	-0.033	-0.033	0.000	0.000	0.000	0.000
129	A	137	ILE	0	-0.027	-0.009	35.598	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	138	LEU	0	0.002	0.005	30.982	-0.003	-0.003	0.000	0.000	0.000	0.000
131	A	139	LEU	0	0.019	0.008	34.962	-0.003	-0.003	0.000	0.000	0.000	0.000
132	A	140	ASP	-1	-0.955	-0.977	38.075	-0.040	-0.040	0.000	0.000	0.000	0.000
133	A	141	ILE	0	-0.077	-0.027	33.968	-0.001	-0.001	0.000	0.000	0.000	0.000
134	A	142	LEU	0	0.001	0.006	34.450	-0.002	-0.002	0.000	0.000	0.000	0.000
135	A	143	PHE	0	-0.022	-0.015	36.832	-0.002	-0.002	0.000	0.000	0.000	0.000
136	A	144	ASP	-1	-0.832	-0.908	39.460	-0.049	-0.049	0.000	0.000	0.000	0.000
137	A	145	GLU	-1	-0.908	-0.969	40.065	-0.053	-0.053	0.000	0.000	0.000	0.000
138	A	146	LYS	1	0.860	0.925	41.386	0.045	0.045	0.000	0.000	0.000	0.000
139	A	147	VAL	0	-0.046	-0.001	35.382	-0.003	-0.003	0.000	0.000	0.000	0.000
140	A	148	GLU	-1	-0.899	-0.948	36.041	-0.078	-0.078	0.000	0.000	0.000	0.000
141	A	149	ASN	0	-0.083	-0.038	29.332	-0.012	-0.012	0.000	0.000	0.000	0.000
142	A	150	ASP	-1	-0.824	-0.924	30.698	-0.116	-0.116	0.000	0.000	0.000	0.000
143	A	151	LYS	1	0.882	0.953	22.182	0.188	0.188	0.000	0.000	0.000	0.000
144	A	152	LEU	0	-0.028	-0.015	27.668	-0.004	-0.004	0.000	0.000	0.000	0.000
145	A	153	ILE	0	0.016	0.021	29.738	0.002	0.002	0.000	0.000	0.000	0.000
146	A	154	THR	0	0.040	0.014	27.781	-0.004	-0.004	0.000	0.000	0.000	0.000
147	A	155	ALA	0	-0.084	-0.045	26.118	-0.004	-0.004	0.000	0.000	0.000	0.000
148	A	156	ILE	0	0.023	0.003	27.166	0.003	0.003	0.000	0.000	0.000	0.000
149	A	157	GLU	-1	-0.898	-0.950	30.230	-0.093	-0.093	0.000	0.000	0.000	0.000
150	A	158	LYS	1	0.917	0.964	23.126	0.175	0.175	0.000	0.000	0.000	0.000
151	A	159	ALA	0	-0.003	-0.009	26.868	0.002	0.002	0.000	0.000	0.000	0.000
152	A	160	LEU	0	-0.032	-0.029	27.741	0.007	0.007	0.000	0.000	0.000	0.000
153	A	161	GLU	-1	-0.884	-0.932	29.113	-0.101	-0.101	0.000	0.000	0.000	0.000
154	A	162	ARG	1	0.852	0.953	21.730	0.137	0.137	0.000	0.000	0.000	0.000
155	A	163	LEU	0	0.018	-0.002	27.523	0.007	0.007	0.000	0.000	0.000	0.000
156	A	164	SER	0	-0.009	-0.026	29.982	0.008	0.008	0.000	0.000	0.000	0.000
157	A	165	THR	0	-0.001	0.001	30.064	0.001	0.001	0.000	0.000	0.000	0.000
158	A	166	ASP	-1	-0.889	-0.958	32.002	-0.027	-0.027	0.000	0.000	0.000	0.000
159	A	167	GLU	-1	-0.873	-0.950	33.784	-0.034	-0.034	0.000	0.000	0.000	0.000
160	A	168	LEU	0	-0.055	-0.032	35.737	0.002	0.002	0.000	0.000	0.000	0.000
161	A	169	ILE	0	0.015	0.012	32.361	0.002	0.002	0.000	0.000	0.000	0.000
162	A	170	ARG	1	0.861	0.930	35.821	0.042	0.042	0.000	0.000	0.000	0.000
163	A	171	ARG	1	0.923	0.968	38.359	0.022	0.022	0.000	0.000	0.000	0.000
164	A	172	ARG	1	0.783	0.882	37.740	0.027	0.027	0.000	0.000	0.000	0.000
165	A	173	LEU	0	0.004	0.011	35.785	0.001	0.001	0.000	0.000	0.000	0.000
166	A	174	PHE	0	-0.017	-0.023	39.403	0.002	0.002	0.000	0.000	0.000	0.000
167	A	175	ASP	-1	-0.920	-0.963	43.174	-0.024	-0.024	0.000	0.000	0.000	0.000
168	A	176	ASN	0	-0.094	-0.060	42.308	0.001	0.001	0.000	0.000	0.000	0.000
169	A	177	ASN	0	-0.007	-0.012	40.758	0.001	0.001	0.000	0.000	0.000	0.000
170	A	178	LEU	0	-0.005	0.019	44.104	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	179	PRO	0	-0.013	-0.024	46.581	-0.001	-0.001	0.000	0.000	0.000	0.000
172	A	180	TYR	0	0.028	0.024	41.577	0.001	0.001	0.000	0.000	0.000	0.000
173	A	181	LEU	0	0.071	0.042	41.196	-0.001	-0.001	0.000	0.000	0.000	0.000
174	A	182	VAL	0	-0.013	-0.013	45.280	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	183	SER	0	-0.113	-0.064	47.887	0.000	0.000	0.000	0.000	0.000	0.000
176	A	184	VAL	0	0.019	0.007	43.464	0.000	0.000	0.000	0.000	0.000	0.000
177	A	185	LYS	1	0.807	0.904	46.804	0.037	0.037	0.000	0.000	0.000	0.000
178	A	186	GLY	0	-0.038	-0.018	48.036	0.000	0.000	0.000	0.000	0.000	0.000
179	A	187	ARG	1	0.839	0.927	44.381	0.046	0.046	0.000	0.000	0.000	0.000
180	A	188	MET	0	-0.086	-0.038	48.651	0.001	0.001	0.000	0.000	0.000	0.000
181	A	189	GLU	-1	-0.753	-0.852	45.211	-0.055	-0.055	0.000	0.000	0.000	0.000
182	A	190	THR	0	0.024	0.004	44.258	-0.001	-0.001	0.000	0.000	0.000	0.000
183	A	191	VAL	0	-0.010	0.002	40.369	-0.003	-0.003	0.000	0.000	0.000	0.000
184	A	192	SER	0	-0.050	-0.038	41.247	-0.002	-0.002	0.000	0.000	0.000	0.000
185	A	193	PHE	0	-0.008	-0.019	42.118	0.000	0.000	0.000	0.000	0.000	0.000
186	A	194	VAL	0	0.041	0.016	39.020	0.001	0.001	0.000	0.000	0.000	0.000
187	A	195	ARG	1	0.902	0.958	37.033	0.072	0.072	0.000	0.000	0.000	0.000
188	A	196	LEU	0	-0.026	-0.009	38.558	0.000	0.000	0.000	0.000	0.000	0.000
189	A	197	ILE	0	-0.040	-0.021	40.819	0.001	0.001	0.000	0.000	0.000	0.000
190	A	198	ASP	-1	-0.847	-0.917	35.927	-0.081	-0.081	0.000	0.000	0.000	0.000
191	A	199	PHE	0	-0.006	-0.016	36.123	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	200	LEU	0	-0.034	-0.021	37.516	0.001	0.001	0.000	0.000	0.000	0.000
193	A	201	THR	0	-0.046	-0.031	37.455	0.002	0.002	0.000	0.000	0.000	0.000
194	A	202	ILE	0	0.005	0.014	32.887	0.001	0.001	0.000	0.000	0.000	0.000
195	A	203	GLU	-1	-0.799	-0.894	35.576	-0.058	-0.058	0.000	0.000	0.000	0.000
196	A	204	PHE	0	-0.045	-0.024	37.571	0.004	0.004	0.000	0.000	0.000	0.000
197	A	205	GLN	0	-0.022	-0.002	32.901	0.001	0.001	0.000	0.000	0.000	0.000
198	A	206	PHE	0	-0.041	-0.032	31.666	0.002	0.002	0.000	0.000	0.000	0.000
199	A	207	ILE	0	-0.046	0.009	37.238	0.004	0.004	0.000	0.000	0.000	0.000
200	A	208	SER	0	-0.039	-0.026	40.820	0.001	0.001	0.000	0.000	0.000	0.000
201	A	209	GLY	0	0.026	-0.010	43.235	0.000	0.000	0.000	0.000	0.000	0.000
202	A	210	PRO	0	-0.059	-0.058	45.876	0.001	0.001	0.000	0.000	0.000	0.000
203	A	211	GLU	-1	-0.819	-0.891	41.180	-0.034	-0.034	0.000	0.000	0.000	0.000
204	A	212	PHE	0	-0.027	0.001	45.223	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	213	LYS	1	0.899	0.965	45.626	0.032	0.032	0.000	0.000	0.000	0.000
206	A	214	ASP	-1	-0.776	-0.886	48.227	-0.032	-0.032	0.000	0.000	0.000	0.000
207	A	215	ILE	0	-0.055	-0.028	49.950	-0.001	-0.001	0.000	0.000	0.000	0.000
208	A	216	ILE	0	-0.003	-0.003	44.928	0.000	0.000	0.000	0.000	0.000	0.000
209	A	217	PHE	0	0.044	0.033	41.560	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	218	CYS	0	-0.052	0.004	46.723	-0.002	-0.002	0.000	0.000	0.000	0.000
211	A	219	PHE	0	0.055	0.027	47.090	0.001	0.001	0.000	0.000	0.000	0.000
212	A	220	THR	0	-0.025	-0.019	52.254	0.001	0.001	0.000	0.000	0.000	0.000
213	A	221	LYS	1	0.995	0.987	55.936	0.028	0.028	0.000	0.000	0.000	0.000
214	A	222	GLU	-1	-0.944	-0.978	58.348	-0.029	-0.029	0.000	0.000	0.000	0.000
215	A	223	GLU	-1	-0.784	-0.882	52.455	-0.036	-0.036	0.000	0.000	0.000	0.000
216	A	224	ILE	0	0.017	0.014	53.150	-0.001	-0.001	0.000	0.000	0.000	0.000
217	A	225	LEU	0	-0.018	0.000	54.984	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	226	LYS	1	0.956	0.989	53.554	0.038	0.038	0.000	0.000	0.000	0.000
219	A	227	SER	0	-0.013	-0.043	51.617	-0.001	-0.001	0.000	0.000	0.000	0.000
220	A	228	VAL	0	-0.025	-0.012	53.219	-0.001	-0.001	0.000	0.000	0.000	0.000
221	A	229	GLU	-1	-1.014	-0.998	55.484	-0.035	-0.035	0.000	0.000	0.000	0.000
222	A	230	ASP	-1	-0.887	-0.941	50.564	-0.049	-0.049	0.000	0.000	0.000	0.000
223	A	231	ILE	0	0.034	0.007	50.937	-0.001	-0.001	0.000	0.000	0.000	0.000
224	A	232	LEU	0	0.001	0.012	44.572	-0.001	-0.001	0.000	0.000	0.000	0.000
225	A	233	VAL	0	0.035	0.022	47.171	-0.002	-0.002	0.000	0.000	0.000	0.000
226	A	234	PHE	0	0.006	-0.002	48.458	0.000	0.000	0.000	0.000	0.000	0.000
227	A	235	ILE	0	-0.011	-0.025	45.864	0.000	0.000	0.000	0.000	0.000	0.000
228	A	236	GLU	-1	-0.885	-0.943	41.454	-0.070	-0.070	0.000	0.000	0.000	0.000
229	A	237	LEU	0	-0.006	-0.002	45.130	0.000	0.000	0.000	0.000	0.000	0.000
230	A	238	VAL	0	-0.019	-0.012	47.712	0.001	0.001	0.000	0.000	0.000	0.000
231	A	239	ASN	0	0.003	-0.016	42.992	0.001	0.001	0.000	0.000	0.000	0.000
232	A	240	TYR	0	-0.028	-0.012	42.589	-0.001	-0.001	0.000	0.000	0.000	0.000
233	A	241	TYR	0	0.051	0.009	44.277	0.001	0.001	0.000	0.000	0.000	0.000
234	A	242	THR	0	-0.033	-0.018	44.659	0.001	0.001	0.000	0.000	0.000	0.000
235	A	243	LYS	1	0.968	0.986	38.726	0.074	0.074	0.000	0.000	0.000	0.000
236	A	244	PHE	0	-0.014	0.008	42.302	0.001	0.001	0.000	0.000	0.000	0.000
237	A	245	LEU	0	-0.034	-0.034	44.213	0.002	0.002	0.000	0.000	0.000	0.000
238	A	246	LEU	0	0.010	0.016	40.023	0.001	0.001	0.000	0.000	0.000	0.000
239	A	247	GLU	-1	-0.820	-0.921	38.211	-0.066	-0.066	0.000	0.000	0.000	0.000
240	A	248	ILE	0	-0.095	-0.044	41.489	0.002	0.002	0.000	0.000	0.000	0.000
241	A	249	ARG	1	0.780	0.852	44.589	0.055	0.055	0.000	0.000	0.000	0.000
242	A	250	ASN	0	-0.051	-0.026	39.275	0.002	0.002	0.000	0.000	0.000	0.000
243	A	251	GLN	0	-0.013	0.000	37.454	0.001	0.001	0.000	0.000	0.000	0.000
244	A	252	ASP	-1	-0.877	-0.901	40.955	-0.043	-0.043	0.000	0.000	0.000	0.000
245	A	253	LYS	1	0.818	0.924	39.357	0.053	0.053	0.000	0.000	0.000	0.000
246	A	254	TYR	0	0.005	-0.037	45.401	0.001	0.001	0.000	0.000	0.000	0.000
247	A	255	TRP	0	-0.059	-0.014	44.178	0.002	0.002	0.000	0.000	0.000	0.000
248	A	256	ALA	0	0.059	0.019	46.962	0.002	0.002	0.000	0.000	0.000	0.000
249	A	257	LEU	0	0.075	0.039	49.088	0.000	0.000	0.000	0.000	0.000	0.000
250	A	258	ARG	1	0.870	0.943	51.620	0.028	0.028	0.000	0.000	0.000	0.000
251	A	259	HIS	0	-0.137	-0.108	50.869	0.002	0.002	0.000	0.000	0.000	0.000
252	A	260	VAL	0	0.065	0.051	48.938	0.000	0.000	0.000	0.000	0.000	0.000
253	A	261	LYS	1	0.973	0.974	52.399	0.030	0.030	0.000	0.000	0.000	0.000
254	A	262	LYS	1	0.876	0.927	54.907	0.028	0.028	0.000	0.000	0.000	0.000
255	A	263	ILE	0	0.017	0.022	52.572	0.001	0.001	0.000	0.000	0.000	0.000
256	A	264	LEU	0	0.021	0.028	51.767	-0.001	-0.001	0.000	0.000	0.000	0.000
257	A	265	PRO	0	-0.005	-0.023	55.670	-0.001	-0.001	0.000	0.000	0.000	0.000
258	A	266	VAL	0	-0.012	0.003	57.257	0.001	0.001	0.000	0.000	0.000	0.000
259	A	267	PHE	0	0.043	0.022	51.450	0.000	0.000	0.000	0.000	0.000	0.000
260	A	268	ALA	0	-0.002	-0.003	56.183	0.000	0.000	0.000	0.000	0.000	0.000
261	A	269	GLN	0	-0.018	-0.019	58.641	0.000	0.000	0.000	0.000	0.000	0.000
262	A	270	LEU	0	0.000	0.009	56.805	0.000	0.000	0.000	0.000	0.000	0.000
263	A	271	PHE	0	-0.043	-0.024	55.891	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	272	GLU	-1	-0.989	-0.992	58.779	-0.030	-0.030	0.000	0.000	0.000	0.000
265	A	273	ASP	-1	-0.805	-0.890	62.466	-0.030	-0.030	0.000	0.000	0.000	0.000
266	A	274	THR	0	-0.019	-0.034	61.829	0.000	0.000	0.000	0.000	0.000	0.000
267	A	275	GLU	-1	-0.964	-0.986	63.302	-0.031	-0.031	0.000	0.000	0.000	0.000
268	A	276	ASN	0	-0.113	-0.056	65.139	0.001	0.001	0.000	0.000	0.000	0.000
269	A	277	TYR	0	-0.038	-0.016	59.642	0.000	0.000	0.000	0.000	0.000	0.000
270	A	278	PRO	0	0.030	0.029	59.940	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	279	ASP	-1	-0.873	-0.955	55.727	-0.043	-0.043	0.000	0.000	0.000	0.000
272	A	280	VAL	0	-0.013	-0.002	55.325	-0.002	-0.002	0.000	0.000	0.000	0.000
273	A	281	ARG	1	0.817	0.894	55.093	0.038	0.038	0.000	0.000	0.000	0.000
274	A	282	ALA	0	-0.038	0.016	56.098	-0.001	-0.001	0.000	0.000	0.000	0.000
275	A	283	PHE	0	-0.034	-0.027	51.372	-0.002	-0.002	0.000	0.000	0.000	0.000
276	A	284	SER	0	0.010	-0.012	50.661	-0.003	-0.003	0.000	0.000	0.000	0.000
277	A	285	THR	0	-0.013	0.002	51.890	0.001	0.001	0.000	0.000	0.000	0.000
278	A	286	ASN	0	0.036	0.000	48.310	0.002	0.002	0.000	0.000	0.000	0.000
279	A	287	CYS	0	-0.004	0.014	47.049	0.000	0.000	0.000	0.000	0.000	0.000
280	A	288	LEU	0	0.037	0.026	48.416	0.001	0.001	0.000	0.000	0.000	0.000
281	A	289	LEU	0	-0.028	-0.006	51.120	0.001	0.001	0.000	0.000	0.000	0.000
282	A	290	GLN	0	-0.014	-0.007	45.672	0.000	0.000	0.000	0.000	0.000	0.000
283	A	291	LEU	0	0.028	0.034	48.538	0.000	0.000	0.000	0.000	0.000	0.000
284	A	292	PHE	0	-0.001	-0.031	49.819	0.002	0.002	0.000	0.000	0.000	0.000
285	A	293	ALA	0	0.001	0.006	49.095	0.002	0.002	0.000	0.000	0.000	0.000
286	A	294	GLU	-1	-0.752	-0.841	45.644	-0.053	-0.053	0.000	0.000	0.000	0.000
287	A	295	VAL	0	-0.010	-0.001	49.391	0.002	0.002	0.000	0.000	0.000	0.000
288	A	296	SER	0	-0.102	-0.046	52.671	0.002	0.002	0.000	0.000	0.000	0.000
289	A	297	ARG	1	0.836	0.883	48.994	0.048	0.048	0.000	0.000	0.000	0.000
290	A	298	ILE	0	-0.011	0.026	50.693	0.000	0.000	0.000	0.000	0.000	0.000
291	A	299	GLU	-1	-0.896	-0.946	50.535	-0.035	-0.035	0.000	0.000	0.000	0.000
292	A	300	GLU	-1	-0.913	-0.968	53.171	-0.031	-0.031	0.000	0.000	0.000	0.000
293	A	301	ASP	-1	-0.912	-0.966	56.820	-0.025	-0.025	0.000	0.000	0.000	0.000
294	A	302	GLU	-1	-0.952	-0.975	59.934	-0.024	-0.024	0.000	0.000	0.000	0.000
295	A	303	TYR	0	-0.043	-0.047	56.314	0.000	0.000	0.000	0.000	0.000	0.000
296	A	304	SER	0	-0.054	-0.006	60.053	0.000	0.000	0.000	0.000	0.000	0.000
297	A	305	LEU	0	-0.005	-0.019	56.758	0.001	0.001	0.000	0.000	0.000	0.000
298	A	306	PHE	0	0.047	0.007	56.161	0.000	0.000	0.000	0.000	0.000	0.000
299	A	307	LYS	1	0.948	0.967	59.315	0.026	0.026	0.000	0.000	0.000	0.000
300	A	308	THR	0	-0.066	-0.017	62.779	0.001	0.001	0.000	0.000	0.000	0.000
301	A	309	MET	0	0.000	0.022	56.093	0.000	0.000	0.000	0.000	0.000	0.000
302	A	310	ASP	-1	-0.733	-0.804	61.103	-0.033	-0.033	0.000	0.000	0.000	0.000
303	A	311	LYS	1	0.917	0.956	62.434	0.025	0.025	0.000	0.000	0.000	0.000
304	A	312	ASP	-1	-0.937	-0.978	64.977	-0.026	-0.026	0.000	0.000	0.000	0.000
305	A	313	SER	0	-0.084	-0.045	61.944	0.000	0.000	0.000	0.000	0.000	0.000
306	A	314	LEU	0	-0.012	0.006	57.799	0.000	0.000	0.000	0.000	0.000	0.000
307	A	315	LYS	1	0.888	0.966	61.430	0.028	0.028	0.000	0.000	0.000	0.000
308	A	316	ILE	0	0.029	0.016	58.720	0.000	0.000	0.000	0.000	0.000	0.000
309	A	317	GLY	0	-0.022	-0.021	62.253	0.001	0.001	0.000	0.000	0.000	0.000
310	A	318	SER	0	-0.101	-0.053	64.334	0.000	0.000	0.000	0.000	0.000	0.000
311	A	319	GLU	-1	-0.768	-0.864	61.236	-0.037	-0.037	0.000	0.000	0.000	0.000
312	A	320	ALA	0	-0.017	-0.035	62.175	-0.001	-0.001	0.000	0.000	0.000	0.000
313	A	321	LYS	1	0.894	0.927	59.634	0.035	0.035	0.000	0.000	0.000	0.000
314	A	322	LEU	0	0.081	0.069	56.286	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	323	ILE	0	-0.043	-0.006	57.557	0.000	0.000	0.000	0.000	0.000	0.000
316	A	324	THR	0	0.051	0.017	53.981	0.001	0.001	0.000	0.000	0.000	0.000
317	A	325	GLU	-1	-0.799	-0.897	52.520	-0.047	-0.047	0.000	0.000	0.000	0.000
318	A	326	TRP	0	0.024	0.002	53.602	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	327	LEU	0	-0.039	-0.041	55.454	0.000	0.000	0.000	0.000	0.000	0.000
320	A	328	GLU	-1	-0.959	-0.967	50.642	-0.053	-0.053	0.000	0.000	0.000	0.000
321	A	329	LEU	0	-0.020	0.000	48.698	-0.002	-0.002	0.000	0.000	0.000	0.000
322	A	330	ILE	0	-0.022	-0.001	51.466	0.000	0.000	0.000	0.000	0.000	0.000
323	A	331	ASN	0	0.021	0.009	53.357	0.000	0.000	0.000	0.000	0.000	0.000
324	A	332	PRO	0	0.069	0.024	53.281	0.002	0.002	0.000	0.000	0.000	0.000
325	A	333	GLN	0	0.057	0.058	56.214	0.001	0.001	0.000	0.000	0.000	0.000
326	A	334	TYR	0	-0.068	-0.074	57.614	0.002	0.002	0.000	0.000	0.000	0.000
327	A	335	LEU	0	-0.011	-0.010	56.582	0.001	0.001	0.000	0.000	0.000	0.000
328	A	336	VAL	0	-0.017	-0.002	60.158	0.001	0.001	0.000	0.000	0.000	0.000
329	A	337	LYS	1	0.912	0.963	61.784	0.029	0.029	0.000	0.000	0.000	0.000
330	A	338	TYR	0	-0.050	-0.023	62.810	0.002	0.002	0.000	0.000	0.000	0.000
331	A	339	HIS	1	0.807	0.892	62.251	0.032	0.032	0.000	0.000	0.000	0.000
332	A	340	LYS	1	0.982	1.002	64.269	0.026	0.026	0.000	0.000	0.000	0.000
333	A	341	ASP	-1	-0.865	-0.925	65.617	-0.029	-0.029	0.000	0.000	0.000	0.000
334	A	342	VAL	0	-0.004	-0.009	62.396	0.000	0.000	0.000	0.000	0.000	0.000
335	A	343	VAL	0	0.003	0.004	60.486	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	344	GLU	-1	-0.915	-0.962	62.640	-0.028	-0.028	0.000	0.000	0.000	0.000
337	A	345	ASN	0	-0.112	-0.059	65.389	0.001	0.001	0.000	0.000	0.000	0.000
338	A	346	TYR	0	-0.049	-0.056	58.653	0.000	0.000	0.000	0.000	0.000	0.000
339	A	347	PHE	0	0.024	0.013	55.839	-0.001	-0.001	0.000	0.000	0.000	0.000
340	A	348	HIS	0	-0.005	-0.011	59.872	0.002	0.002	0.000	0.000	0.000	0.000
341	A	349	VAL	0	-0.005	0.021	56.328	-0.002	-0.002	0.000	0.000	0.000	0.000
342	A	350	SER	0	-0.020	-0.010	56.072	0.000	0.000	0.000	0.000	0.000	0.000
343	A	351	GLY	0	0.067	0.021	52.144	-0.001	-0.001	0.000	0.000	0.000	0.000
344	A	352	TYR	0	0.014	0.024	51.519	-0.001	-0.001	0.000	0.000	0.000	0.000
345	A	353	SER	0	-0.017	-0.016	52.805	-0.001	-0.001	0.000	0.000	0.000	0.000
346	A	354	ILE	0	0.041	0.021	47.697	0.001	0.001	0.000	0.000	0.000	0.000
347	A	355	GLY	0	0.039	0.019	49.128	0.000	0.000	0.000	0.000	0.000	0.000
348	A	356	MET	0	0.024	0.023	50.108	0.001	0.001	0.000	0.000	0.000	0.000
349	A	357	LEU	0	-0.030	-0.001	52.219	0.001	0.001	0.000	0.000	0.000	0.000
350	A	358	ARG	1	0.894	0.948	44.774	0.063	0.063	0.000	0.000	0.000	0.000
351	A	359	ASN	0	-0.020	-0.007	50.177	-0.001	-0.001	0.000	0.000	0.000	0.000
352	A	360	LEU	0	0.019	-0.016	51.631	0.002	0.002	0.000	0.000	0.000	0.000
353	A	361	SER	0	-0.079	-0.047	52.337	0.001	0.001	0.000	0.000	0.000	0.000
354	A	362	ALA	0	0.006	0.019	50.731	0.001	0.001	0.000	0.000	0.000	0.000
355	A	363	ASP	-1	-0.799	-0.909	52.571	-0.033	-0.033	0.000	0.000	0.000	0.000
356	A	364	GLU	-1	-0.948	-0.971	55.929	-0.030	-0.030	0.000	0.000	0.000	0.000
357	A	365	GLU	-1	-0.946	-0.980	58.423	-0.028	-0.028	0.000	0.000	0.000	0.000
358	A	366	CYS	0	-0.032	-0.019	57.867	0.000	0.000	0.000	0.000	0.000	0.000
359	A	367	PHE	0	0.009	0.005	57.011	0.000	0.000	0.000	0.000	0.000	0.000
360	A	368	ASN	0	-0.041	-0.035	58.981	0.000	0.000	0.000	0.000	0.000	0.000
361	A	369	ALA	0	-0.026	0.000	62.362	0.001	0.001	0.000	0.000	0.000	0.000
362	A	370	ILE	0	0.012	0.011	57.206	0.000	0.000	0.000	0.000	0.000	0.000
363	A	371	ARG	1	0.864	0.932	61.221	0.029	0.029	0.000	0.000	0.000	0.000
364	A	372	ASN	0	-0.056	-0.037	62.202	-0.001	-0.001	0.000	0.000	0.000	0.000
365	A	373	LYS	1	0.854	0.939	61.661	0.032	0.032	0.000	0.000	0.000	0.000
366	A	374	PHE	0	-0.012	-0.004	55.957	-0.001	-0.001	0.000	0.000	0.000	0.000
367	A	375	SER	0	0.044	0.012	61.362	0.001	0.001	0.000	0.000	0.000	0.000
368	A	376	ALA	0	0.024	-0.006	60.146	-0.001	-0.001	0.000	0.000	0.000	0.000
369	A	377	GLU	-1	-0.970	-0.983	60.250	-0.032	-0.032	0.000	0.000	0.000	0.000
370	A	378	ILE	0	0.019	0.015	59.491	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	379	VAL	0	0.012	-0.001	55.181	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	380	LEU	0	-0.034	-0.029	56.249	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	381	ARG	1	0.908	0.966	57.466	0.040	0.040	0.000	0.000	0.000	0.000
374	A	382	LEU	0	-0.053	-0.006	53.499	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	383	PRO	0	-0.004	0.005	50.689	0.001	0.001	0.000	0.000	0.000	0.000
376	A	384	TYR	0	0.000	-0.029	47.369	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	385	LEU	0	0.040	0.040	44.003	0.000	0.000	0.000	0.000	0.000	0.000
378	A	386	GLU	-1	-0.808	-0.940	47.355	-0.057	-0.057	0.000	0.000	0.000	0.000
379	A	387	GLN	0	-0.043	0.007	49.869	0.002	0.002	0.000	0.000	0.000	0.000
380	A	388	MET	0	-0.011	0.005	46.289	0.001	0.001	0.000	0.000	0.000	0.000
381	A	389	GLN	0	0.007	0.019	44.950	0.002	0.002	0.000	0.000	0.000	0.000
382	A	390	VAL	0	-0.014	-0.006	47.663	0.001	0.001	0.000	0.000	0.000	0.000
383	A	391	VAL	0	-0.017	-0.032	49.648	0.001	0.001	0.000	0.000	0.000	0.000
384	A	392	GLU	-1	-0.824	-0.900	44.070	-0.059	-0.059	0.000	0.000	0.000	0.000
385	A	393	THR	0	0.025	0.026	47.577	0.000	0.000	0.000	0.000	0.000	0.000
386	A	394	LEU	0	-0.025	-0.020	49.191	0.001	0.001	0.000	0.000	0.000	0.000
387	A	395	THR	0	-0.069	-0.018	47.801	0.001	0.001	0.000	0.000	0.000	0.000
388	A	396	ARG	1	0.890	0.962	44.622	0.058	0.058	0.000	0.000	0.000	0.000
389	A	397	TYR	0	0.058	0.041	48.574	0.000	0.000	0.000	0.000	0.000	0.000
390	A	398	GLU	-1	-0.866	-0.947	51.755	-0.033	-0.033	0.000	0.000	0.000	0.000
391	A	399	TYR	0	-0.010	-0.014	54.313	0.001	0.001	0.000	0.000	0.000	0.000
392	A	400	THR	0	-0.045	-0.050	53.067	0.001	0.001	0.000	0.000	0.000	0.000
393	A	401	SER	0	0.046	0.012	52.357	0.000	0.000	0.000	0.000	0.000	0.000
394	A	402	LYS	1	0.924	0.968	54.633	0.028	0.028	0.000	0.000	0.000	0.000
395	A	403	PHE	0	-0.013	-0.001	58.156	0.001	0.001	0.000	0.000	0.000	0.000
396	A	404	LEU	0	0.008	0.000	53.066	0.001	0.001	0.000	0.000	0.000	0.000
397	A	405	LEU	0	-0.037	-0.028	54.787	0.001	0.001	0.000	0.000	0.000	0.000
398	A	406	ASN	0	-0.041	-0.023	58.256	0.001	0.001	0.000	0.000	0.000	0.000
399	A	407	GLU	-1	-0.837	-0.905	61.228	-0.028	-0.028	0.000	0.000	0.000	0.000
400	A	408	MET	0	-0.069	-0.011	57.332	0.000	0.000	0.000	0.000	0.000	0.000
401	A	409	PRO	0	0.081	0.045	58.670	-0.001	-0.001	0.000	0.000	0.000	0.000
402	A	410	LYS	1	0.942	0.947	58.576	0.032	0.032	0.000	0.000	0.000	0.000
403	A	411	VAL	0	0.028	0.022	54.709	-0.001	-0.001	0.000	0.000	0.000	0.000
404	A	412	MET	0	0.015	0.026	52.821	-0.002	-0.002	0.000	0.000	0.000	0.000
405	A	413	GLY	0	-0.016	-0.007	54.034	-0.001	-0.001	0.000	0.000	0.000	0.000
406	A	414	SER	0	-0.033	-0.028	53.809	-0.001	-0.001	0.000	0.000	0.000	0.000
407	A	415	LEU	0	0.021	0.028	47.851	-0.002	-0.002	0.000	0.000	0.000	0.000
408	A	416	ILE	0	-0.043	-0.026	49.668	-0.002	-0.002	0.000	0.000	0.000	0.000
409	A	417	GLY	0	0.027	0.016	50.321	-0.002	-0.002	0.000	0.000	0.000	0.000
410	A	418	ASP	-1	-0.893	-0.927	51.551	-0.044	-0.044	0.000	0.000	0.000	0.000
411	A	419	GLY	0	-0.033	-0.021	49.794	0.001	0.001	0.000	0.000	0.000	0.000
412	A	420	SER	0	-0.055	-0.056	47.915	-0.002	-0.002	0.000	0.000	0.000	0.000
413	A	421	ALA	0	0.036	0.006	45.067	-0.002	-0.002	0.000	0.000	0.000	0.000
414	A	422	GLY	0	-0.009	0.001	41.977	-0.003	-0.003	0.000	0.000	0.000	0.000
415	A	423	ALA	0	-0.038	-0.014	41.205	-0.003	-0.003	0.000	0.000	0.000	0.000
416	A	424	ILE	0	-0.058	-0.024	41.874	-0.002	-0.002	0.000	0.000	0.000	0.000
417	A	425	ILE	0	0.041	0.011	38.221	-0.002	-0.002	0.000	0.000	0.000	0.000
418	A	426	ASP	-1	-0.865	-0.897	38.242	-0.080	-0.080	0.000	0.000	0.000	0.000
419	A	427	LEU	0	0.029	0.011	34.394	0.002	0.002	0.000	0.000	0.000	0.000
420	A	428	GLU	-1	-0.825	-0.928	37.927	-0.086	-0.086	0.000	0.000	0.000	0.000
421	A	429	THR	0	-0.078	-0.068	40.463	0.005	0.005	0.000	0.000	0.000	0.000
422	A	430	VAL	0	-0.032	-0.011	38.227	0.004	0.004	0.000	0.000	0.000	0.000
423	A	431	HIS	0	-0.006	0.012	37.130	0.001	0.001	0.000	0.000	0.000	0.000
424	A	432	TYR	0	0.004	-0.024	39.422	0.003	0.003	0.000	0.000	0.000	0.000
425	A	433	ARG	1	0.884	0.935	43.021	0.057	0.057	0.000	0.000	0.000	0.000
426	A	434	ASN	0	-0.013	-0.024	38.242	0.006	0.006	0.000	0.000	0.000	0.000
427	A	435	SER	0	-0.035	-0.017	40.971	0.002	0.002	0.000	0.000	0.000	0.000
428	A	436	ALA	0	0.031	0.015	42.320	0.003	0.003	0.000	0.000	0.000	0.000
429	A	437	LEU	0	-0.071	-0.041	43.799	0.003	0.003	0.000	0.000	0.000	0.000
430	A	438	ARG	1	0.959	0.982	38.006	0.071	0.071	0.000	0.000	0.000	0.000
431	A	439	ASN	0	0.041	0.025	43.736	0.001	0.001	0.000	0.000	0.000	0.000
432	A	440	LEU	0	-0.048	-0.034	45.868	0.003	0.003	0.000	0.000	0.000	0.000
433	A	441	LEU	0	-0.058	-0.035	45.048	0.002	0.002	0.000	0.000	0.000	0.000
434	A	442	ASP	-1	-0.886	-0.927	43.871	-0.049	-0.049	0.000	0.000	0.000	0.000
435	A	443	LYS	1	0.798	0.911	46.846	0.038	0.038	0.000	0.000	0.000	0.000
436	A	444	GLY	0	-0.003	0.003	49.892	0.002	0.002	0.000	0.000	0.000	0.000
437	A	445	GLU	-1	-0.929	-0.991	51.228	-0.028	-0.028	0.000	0.000	0.000	0.000
438	A	446	GLU	-1	-0.943	-0.969	53.575	-0.024	-0.024	0.000	0.000	0.000	0.000
439	A	447	LYS	1	0.875	0.940	54.299	0.030	0.030	0.000	0.000	0.000	0.000
440	A	448	LEU	0	-0.026	-0.001	50.812	0.000	0.000	0.000	0.000	0.000	0.000
441	A	449	SER	0	-0.005	0.018	55.494	0.000	0.000	0.000	0.000	0.000	0.000
442	A	450	VAL	0	0.011	-0.020	56.998	0.000	0.000	0.000	0.000	0.000	0.000
443	A	451	TRP	0	-0.013	-0.015	54.097	-0.001	-0.001	0.000	0.000	0.000	0.000
444	A	452	TYR	0	0.029	0.029	49.506	-0.003	-0.003	0.000	0.000	0.000	0.000
445	A	453	GLU	-1	-0.843	-0.937	51.126	-0.034	-0.034	0.000	0.000	0.000	0.000
446	A	454	PRO	0	-0.076	-0.046	50.883	-0.002	-0.002	0.000	0.000	0.000	0.000
447	A	455	LEU	0	0.061	0.029	48.914	-0.002	-0.002	0.000	0.000	0.000	0.000
448	A	456	LEU	0	0.041	0.043	45.989	-0.003	-0.003	0.000	0.000	0.000	0.000
449	A	457	ARG	1	0.872	0.946	45.940	0.037	0.037	0.000	0.000	0.000	0.000
450	A	458	GLU	-1	-0.816	-0.910	46.023	-0.049	-0.049	0.000	0.000	0.000	0.000
451	A	459	TYR	0	0.055	0.039	39.124	-0.004	-0.004	0.000	0.000	0.000	0.000
452	A	460	SER	0	-0.002	0.002	41.666	-0.004	-0.004	0.000	0.000	0.000	0.000
453	A	461	LYS	1	0.852	0.907	41.052	0.045	0.045	0.000	0.000	0.000	0.000
454	A	462	ALA	0	-0.036	-0.008	40.792	-0.003	-0.003	0.000	0.000	0.000	0.000
455	A	463	VAL	0	-0.054	-0.029	36.903	-0.004	-0.004	0.000	0.000	0.000	0.000
456	A	464	ASN	0	-0.062	-0.026	36.146	-0.006	-0.006	0.000	0.000	0.000	0.000
457	A	465	GLY	0	-0.038	-0.001	37.664	0.001	0.001	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:9:VAL)