FMO DATABASE

FMODB ID: 7MGMK

Calculation Name: 2ZVI-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2ZVI

Chain ID: A

ChEMBL ID:

UniProt ID: O31666

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	OptHSide
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	400
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6563565.290469
FMO2-HF: Nuclear repulsion	6412280.389998
FMO2-HF: Total energy	-151284.900471
FMO2-MP2: Total energy	-151732.027796

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:11:SER)

Summations of interaction energy for fragment #1(A:11:SER)

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.
-12.895	-7.75	7.084	-5.29	-6.938	-0.039

Interaction energy analysis for fragmet #1(A:11:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.059 / q_NPA : -0.037

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	13	LEU	0	0.017	0.040	3.787	-0.778	1.380	-0.032	-1.110	-1.016	-0.002
4	A	14	LEU	0	-0.007	-0.006	6.513	0.442	0.442	0.000	0.000	0.000	0.000
5	A	15	ALA	0	0.020	0.008	9.851	-0.015	-0.015	0.000	0.000	0.000	0.000
6	A	16	THR	0	0.016	0.010	13.041	0.094	0.094	0.000	0.000	0.000	0.000
7	A	17	TYR	0	-0.037	-0.040	15.676	-0.044	-0.044	0.000	0.000	0.000	0.000
8	A	18	LEU	0	0.004	0.010	19.613	0.042	0.042	0.000	0.000	0.000	0.000
9	A	19	LEU	0	-0.022	-0.017	21.849	-0.014	-0.014	0.000	0.000	0.000	0.000
10	A	20	THR	0	-0.003	-0.022	25.522	0.021	0.021	0.000	0.000	0.000	0.000
11	A	21	GLU	-1	-0.779	-0.877	29.084	-0.109	-0.109	0.000	0.000	0.000	0.000
12	A	22	PRO	0	-0.062	-0.012	28.476	0.007	0.007	0.000	0.000	0.000	0.000
13	A	23	GLY	0	-0.014	-0.011	31.377	0.001	0.001	0.000	0.000	0.000	0.000
14	A	24	ALA	0	0.002	0.010	31.095	0.008	0.008	0.000	0.000	0.000	0.000
15	A	25	ASP	-1	-0.902	-0.950	28.772	-0.092	-0.092	0.000	0.000	0.000	0.000
16	A	26	THR	0	0.038	0.007	24.956	-0.007	-0.007	0.000	0.000	0.000	0.000
17	A	27	GLU	-1	-0.843	-0.928	22.238	-0.035	-0.035	0.000	0.000	0.000	0.000
18	A	28	LYS	1	0.828	0.918	22.673	0.105	0.105	0.000	0.000	0.000	0.000
19	A	29	LYS	1	0.818	0.889	23.189	0.209	0.209	0.000	0.000	0.000	0.000
20	A	30	ALA	0	0.042	0.030	19.347	-0.037	-0.037	0.000	0.000	0.000	0.000
21	A	31	GLU	-1	-0.766	-0.911	17.348	-0.113	-0.113	0.000	0.000	0.000	0.000
22	A	32	GLN	0	-0.062	-0.018	18.640	-0.025	-0.025	0.000	0.000	0.000	0.000
23	A	33	ILE	0	-0.019	-0.008	16.936	-0.026	-0.026	0.000	0.000	0.000	0.000
24	A	34	ALA	0	0.017	0.018	14.737	-0.081	-0.081	0.000	0.000	0.000	0.000
25	A	35	THR	0	-0.005	-0.025	14.490	-0.060	-0.060	0.000	0.000	0.000	0.000
26	A	36	GLY	0	0.074	0.034	16.619	-0.051	-0.051	0.000	0.000	0.000	0.000
27	A	37	LEU	0	-0.088	-0.033	16.556	0.014	0.014	0.000	0.000	0.000	0.000
28	A	38	THR	0	0.004	-0.002	11.863	-0.176	-0.176	0.000	0.000	0.000	0.000
29	A	39	VAL	0	-0.159	-0.061	13.527	-0.029	-0.029	0.000	0.000	0.000	0.000
30	A	40	GLY	0	-0.013	0.009	16.104	0.042	0.042	0.000	0.000	0.000	0.000
31	A	41	SER	0	-0.083	-0.090	19.613	0.021	0.021	0.000	0.000	0.000	0.000
32	A	42	TRP	0	0.058	0.014	14.944	-0.013	-0.013	0.000	0.000	0.000	0.000
33	A	43	THR	0	-0.028	-0.023	20.543	0.022	0.022	0.000	0.000	0.000	0.000
34	A	44	ASP	-1	-0.856	-0.891	23.765	-0.101	-0.101	0.000	0.000	0.000	0.000
35	A	45	LEU	0	-0.043	-0.004	18.599	-0.002	-0.002	0.000	0.000	0.000	0.000
36	A	46	PRO	0	0.007	-0.002	22.762	0.025	0.025	0.000	0.000	0.000	0.000
37	A	47	LEU	0	0.083	0.038	22.147	-0.006	-0.006	0.000	0.000	0.000	0.000
38	A	48	VAL	0	0.024	0.015	21.000	0.010	0.010	0.000	0.000	0.000	0.000
39	A	49	LYS	1	0.906	0.934	18.983	0.177	0.177	0.000	0.000	0.000	0.000
40	A	50	GLN	0	-0.016	-0.019	17.730	-0.008	-0.008	0.000	0.000	0.000	0.000
41	A	51	GLU	-1	-0.854	-0.918	16.901	0.195	0.195	0.000	0.000	0.000	0.000
42	A	52	GLN	0	-0.021	0.000	14.760	-0.003	-0.003	0.000	0.000	0.000	0.000
43	A	53	MET	0	-0.046	-0.019	13.269	-0.025	-0.025	0.000	0.000	0.000	0.000
44	A	54	GLN	0	0.032	0.004	12.536	-0.097	-0.097	0.000	0.000	0.000	0.000
45	A	55	LYS	1	0.812	0.911	7.814	0.320	0.320	0.000	0.000	0.000	0.000
46	A	56	HIS	0	0.018	0.009	7.591	0.039	0.039	0.000	0.000	0.000	0.000
47	A	57	LYS	1	0.885	0.974	9.896	-0.095	-0.095	0.000	0.000	0.000	0.000
48	A	58	GLY	0	0.043	0.033	10.117	0.000	0.000	0.000	0.000	0.000	0.000
49	A	59	ARG	1	0.776	0.852	7.811	-0.468	-0.468	0.000	0.000	0.000	0.000
50	A	60	VAL	0	0.048	0.026	12.823	-0.091	-0.091	0.000	0.000	0.000	0.000
51	A	61	ILE	0	-0.072	-0.027	10.504	0.105	0.105	0.000	0.000	0.000	0.000
52	A	62	LYS	1	0.850	0.889	14.418	0.013	0.013	0.000	0.000	0.000	0.000
53	A	63	VAL	0	0.025	0.014	17.796	-0.060	-0.060	0.000	0.000	0.000	0.000
54	A	64	GLU	-1	-0.857	-0.889	20.970	0.011	0.011	0.000	0.000	0.000	0.000
55	A	65	GLU	-1	-0.757	-0.882	23.491	-0.087	-0.087	0.000	0.000	0.000	0.000
56	A	66	ARG	1	0.897	0.947	24.580	0.065	0.065	0.000	0.000	0.000	0.000
57	A	67	GLU	-1	-0.907	-0.964	22.855	-0.193	-0.193	0.000	0.000	0.000	0.000
58	A	68	GLY	0	0.062	0.039	25.998	0.012	0.012	0.000	0.000	0.000	0.000
59	A	69	THR	0	0.002	0.017	28.569	0.002	0.002	0.000	0.000	0.000	0.000
60	A	70	ALA	0	-0.119	-0.050	30.526	0.011	0.011	0.000	0.000	0.000	0.000
61	A	71	ALA	0	0.016	0.010	32.932	0.003	0.003	0.000	0.000	0.000	0.000
62	A	72	SER	0	-0.019	-0.012	34.787	0.009	0.009	0.000	0.000	0.000	0.000
63	A	73	GLU	-1	-0.918	-0.961	33.229	-0.098	-0.098	0.000	0.000	0.000	0.000
64	A	74	LYS	1	0.847	0.915	29.716	0.070	0.070	0.000	0.000	0.000	0.000
65	A	75	GLN	0	0.017	-0.012	27.950	-0.008	-0.008	0.000	0.000	0.000	0.000
66	A	76	ALA	0	-0.042	-0.021	24.877	0.017	0.017	0.000	0.000	0.000	0.000
67	A	77	VAL	0	-0.030	-0.012	19.985	-0.025	-0.025	0.000	0.000	0.000	0.000
68	A	78	ILE	0	-0.002	-0.008	17.860	0.032	0.032	0.000	0.000	0.000	0.000
69	A	79	THR	0	0.003	0.003	12.963	-0.031	-0.031	0.000	0.000	0.000	0.000
70	A	80	ILE	0	-0.030	-0.011	12.534	0.105	0.105	0.000	0.000	0.000	0.000
71	A	81	ALA	0	0.006	0.015	7.980	-0.140	-0.140	0.000	0.000	0.000	0.000
72	A	82	TYR	0	0.004	-0.026	8.375	0.274	0.274	0.000	0.000	0.000	0.000
73	A	83	PRO	0	0.009	0.005	5.050	-1.134	-1.134	0.000	0.000	0.000	0.000
74	A	84	GLU	-1	-0.698	-0.848	2.198	-12.365	-11.463	5.112	-2.538	-3.476	-0.029
75	A	85	ILE	0	-0.107	-0.041	4.306	0.949	1.181	-0.001	-0.014	-0.217	0.000
76	A	86	ASN	0	-0.047	-0.037	6.255	0.696	0.696	0.000	0.000	0.000	0.000
77	A	87	PHE	0	-0.032	-0.004	6.984	0.319	0.319	0.000	0.000	0.000	0.000
78	A	88	SER	0	-0.044	-0.035	8.103	-0.392	-0.392	0.000	0.000	0.000	0.000
79	A	89	GLN	0	-0.008	-0.020	5.496	-1.045	-1.045	0.000	0.000	0.000	0.000
80	A	90	ASP	-1	-0.742	-0.841	9.487	-0.967	-0.967	0.000	0.000	0.000	0.000
81	A	91	ILE	0	0.062	0.013	12.433	-0.086	-0.086	0.000	0.000	0.000	0.000
82	A	92	PRO	0	0.011	0.006	14.303	0.016	0.016	0.000	0.000	0.000	0.000
83	A	93	ALA	0	0.014	0.028	12.390	0.063	0.063	0.000	0.000	0.000	0.000
84	A	94	LEU	0	0.017	0.026	9.888	0.028	0.028	0.000	0.000	0.000	0.000
85	A	95	LEU	0	0.006	-0.003	12.363	0.070	0.070	0.000	0.000	0.000	0.000
86	A	96	THR	0	-0.061	-0.039	15.679	0.125	0.125	0.000	0.000	0.000	0.000
87	A	97	THR	0	-0.068	-0.041	11.478	0.077	0.077	0.000	0.000	0.000	0.000
88	A	98	VAL	0	-0.016	-0.003	11.574	0.090	0.090	0.000	0.000	0.000	0.000
89	A	99	PHE	0	-0.030	-0.016	14.685	0.124	0.124	0.000	0.000	0.000	0.000
90	A	100	GLY	0	0.116	0.076	18.169	0.040	0.040	0.000	0.000	0.000	0.000
91	A	101	LYS	1	0.933	0.966	19.979	0.383	0.383	0.000	0.000	0.000	0.000
92	A	102	LEU	0	0.034	0.008	18.565	0.042	0.042	0.000	0.000	0.000	0.000
93	A	103	SER	0	-0.041	-0.001	21.679	0.047	0.047	0.000	0.000	0.000	0.000
94	A	104	LEU	0	-0.034	-0.022	23.209	0.031	0.031	0.000	0.000	0.000	0.000
95	A	105	ASP	-1	-0.901	-0.926	24.462	-0.221	-0.221	0.000	0.000	0.000	0.000
96	A	106	GLY	0	0.015	0.003	26.377	0.006	0.006	0.000	0.000	0.000	0.000
97	A	107	LYS	1	0.806	0.889	27.704	0.128	0.128	0.000	0.000	0.000	0.000
98	A	108	ILE	0	0.026	0.014	21.757	0.011	0.011	0.000	0.000	0.000	0.000
99	A	109	LYS	1	0.836	0.931	23.110	0.228	0.228	0.000	0.000	0.000	0.000
100	A	110	LEU	0	0.005	0.008	15.442	0.005	0.005	0.000	0.000	0.000	0.000
101	A	111	ILE	0	-0.019	-0.026	19.072	-0.001	-0.001	0.000	0.000	0.000	0.000
102	A	112	ASP	-1	-0.761	-0.876	15.840	-0.402	-0.402	0.000	0.000	0.000	0.000
103	A	113	LEU	0	-0.022	-0.008	11.447	-0.051	-0.051	0.000	0.000	0.000	0.000
104	A	114	HIS	0	-0.033	-0.013	10.113	0.105	0.105	0.000	0.000	0.000	0.000
105	A	115	PHE	0	0.024	0.001	6.880	-0.257	-0.257	0.000	0.000	0.000	0.000
106	A	116	SER	0	-0.017	-0.036	2.245	0.616	1.678	1.696	-1.260	-1.498	-0.007
107	A	117	GLU	-1	-0.807	-0.928	4.412	-0.255	-0.187	-0.001	-0.019	-0.048	0.000
108	A	118	ALA	0	-0.088	-0.047	2.515	-0.562	0.081	0.311	-0.332	-0.622	-0.001
109	A	119	PHE	0	0.041	0.021	4.441	0.653	0.733	-0.001	-0.017	-0.061	0.000
110	A	120	LYS	1	0.848	0.910	6.237	0.919	0.919	0.000	0.000	0.000	0.000
111	A	121	ARG	1	0.889	0.955	5.181	0.538	0.538	0.000	0.000	0.000	0.000
112	A	122	ALA	0	-0.082	-0.032	8.971	0.160	0.160	0.000	0.000	0.000	0.000
113	A	123	LEU	0	-0.056	-0.012	10.500	0.084	0.084	0.000	0.000	0.000	0.000
114	A	124	PRO	0	-0.028	0.007	13.065	0.054	0.054	0.000	0.000	0.000	0.000
115	A	125	GLY	0	0.035	0.020	16.363	0.055	0.055	0.000	0.000	0.000	0.000
116	A	126	PRO	0	-0.067	-0.026	17.719	0.012	0.012	0.000	0.000	0.000	0.000
117	A	127	LYS	1	0.853	0.947	21.549	0.308	0.308	0.000	0.000	0.000	0.000
118	A	128	PHE	0	-0.081	-0.044	23.421	0.027	0.027	0.000	0.000	0.000	0.000
119	A	129	GLY	0	0.035	0.001	24.188	0.014	0.014	0.000	0.000	0.000	0.000
120	A	130	VAL	0	-0.026	-0.018	24.964	0.015	0.015	0.000	0.000	0.000	0.000
121	A	131	TYR	0	0.041	0.016	26.385	0.012	0.012	0.000	0.000	0.000	0.000
122	A	132	GLY	0	0.029	0.008	27.317	0.011	0.011	0.000	0.000	0.000	0.000
123	A	133	ILE	0	-0.026	-0.017	28.925	0.008	0.008	0.000	0.000	0.000	0.000
124	A	134	ARG	1	0.797	0.861	31.034	0.088	0.088	0.000	0.000	0.000	0.000
125	A	135	LYS	1	0.908	0.952	30.420	0.091	0.091	0.000	0.000	0.000	0.000
126	A	136	LEU	0	-0.078	-0.030	33.271	0.006	0.006	0.000	0.000	0.000	0.000
127	A	137	LEU	0	-0.039	-0.029	35.049	0.003	0.003	0.000	0.000	0.000	0.000
128	A	138	GLY	0	-0.020	0.012	36.692	0.005	0.005	0.000	0.000	0.000	0.000
129	A	139	GLU	-1	-0.834	-0.904	36.779	-0.052	-0.052	0.000	0.000	0.000	0.000
130	A	140	PHE	0	-0.027	-0.032	31.457	-0.009	-0.009	0.000	0.000	0.000	0.000
131	A	141	GLU	-1	-0.951	-0.951	35.246	-0.027	-0.027	0.000	0.000	0.000	0.000
132	A	142	ARG	1	0.814	0.878	36.646	0.071	0.071	0.000	0.000	0.000	0.000
133	A	143	PRO	0	-0.013	0.022	34.914	-0.006	-0.006	0.000	0.000	0.000	0.000
134	A	144	LEU	0	-0.029	-0.011	33.377	0.002	0.002	0.000	0.000	0.000	0.000
135	A	145	LEU	0	-0.020	-0.008	36.560	-0.002	-0.002	0.000	0.000	0.000	0.000
136	A	146	MET	0	-0.022	0.002	33.032	-0.004	-0.004	0.000	0.000	0.000	0.000
137	A	147	SER	0	-0.015	-0.032	38.280	0.006	0.006	0.000	0.000	0.000	0.000
138	A	148	ILE	0	-0.051	-0.007	37.709	-0.007	-0.007	0.000	0.000	0.000	0.000
139	A	149	PHE	0	-0.001	0.007	41.289	0.007	0.007	0.000	0.000	0.000	0.000
140	A	150	LYS	1	0.915	0.973	43.836	0.077	0.077	0.000	0.000	0.000	0.000
141	A	151	GLY	0	0.024	-0.002	45.508	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	152	VAL	0	-0.011	0.006	42.962	0.004	0.004	0.000	0.000	0.000	0.000
143	A	153	ILE	0	0.026	-0.005	43.575	0.003	0.003	0.000	0.000	0.000	0.000
144	A	154	GLY	0	-0.005	0.001	47.227	0.004	0.004	0.000	0.000	0.000	0.000
145	A	155	ARG	1	0.815	0.911	49.024	0.090	0.090	0.000	0.000	0.000	0.000
146	A	156	ASP	-1	-0.830	-0.919	49.967	-0.081	-0.081	0.000	0.000	0.000	0.000
147	A	157	LEU	0	0.065	0.003	47.771	0.000	0.000	0.000	0.000	0.000	0.000
148	A	158	SER	0	-0.002	0.010	50.616	0.000	0.000	0.000	0.000	0.000	0.000
149	A	159	ASP	-1	-0.854	-0.890	51.407	-0.081	-0.081	0.000	0.000	0.000	0.000
150	A	160	ILE	0	0.005	-0.005	45.722	0.000	0.000	0.000	0.000	0.000	0.000
151	A	161	LYS	1	0.858	0.910	47.965	0.077	0.077	0.000	0.000	0.000	0.000
152	A	162	GLU	-1	-0.801	-0.883	49.532	-0.066	-0.066	0.000	0.000	0.000	0.000
153	A	163	GLN	0	-0.074	-0.059	47.489	-0.001	-0.001	0.000	0.000	0.000	0.000
154	A	164	LEU	0	-0.019	0.006	43.724	0.000	0.000	0.000	0.000	0.000	0.000
155	A	165	ARG	1	0.888	0.938	46.694	0.069	0.069	0.000	0.000	0.000	0.000
156	A	166	GLN	0	-0.031	-0.026	49.173	0.003	0.003	0.000	0.000	0.000	0.000
157	A	167	GLN	0	0.021	0.011	43.470	-0.002	-0.002	0.000	0.000	0.000	0.000
158	A	168	ALA	0	0.027	0.022	45.121	0.001	0.001	0.000	0.000	0.000	0.000
159	A	169	LEU	0	-0.019	-0.003	46.122	0.002	0.002	0.000	0.000	0.000	0.000
160	A	170	GLY	0	-0.036	-0.013	47.955	0.003	0.003	0.000	0.000	0.000	0.000
161	A	171	GLY	0	-0.035	-0.006	45.826	0.002	0.002	0.000	0.000	0.000	0.000
162	A	172	VAL	0	-0.032	-0.010	41.449	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	173	ASP	-1	-0.727	-0.827	37.909	-0.080	-0.080	0.000	0.000	0.000	0.000
164	A	174	LEU	0	-0.011	-0.004	33.911	-0.005	-0.005	0.000	0.000	0.000	0.000
165	A	175	ILE	0	0.003	0.014	38.245	0.002	0.002	0.000	0.000	0.000	0.000
166	A	176	LYS	1	0.814	0.912	34.774	0.151	0.151	0.000	0.000	0.000	0.000
167	A	177	ASP	-1	-0.687	-0.827	37.694	-0.130	-0.130	0.000	0.000	0.000	0.000
168	A	178	ASP	-1	-0.871	-0.937	37.923	-0.138	-0.138	0.000	0.000	0.000	0.000
169	A	179	GLU	-1	-0.814	-0.918	34.420	-0.160	-0.160	0.000	0.000	0.000	0.000
170	A	180	ILE	0	-0.059	-0.028	36.659	-0.008	-0.008	0.000	0.000	0.000	0.000
171	A	181	PHE	0	-0.022	0.004	39.199	0.008	0.008	0.000	0.000	0.000	0.000
172	A	182	PHE	0	0.014	0.002	36.184	-0.008	-0.008	0.000	0.000	0.000	0.000
173	A	183	GLU	-1	-0.804	-0.907	39.420	-0.142	-0.142	0.000	0.000	0.000	0.000
174	A	184	THR	0	-0.014	-0.018	42.309	0.001	0.001	0.000	0.000	0.000	0.000
175	A	185	GLY	0	0.008	0.005	45.670	0.004	0.004	0.000	0.000	0.000	0.000
176	A	186	LEU	0	-0.042	-0.004	47.631	0.004	0.004	0.000	0.000	0.000	0.000
177	A	187	ALA	0	0.026	-0.004	46.090	0.004	0.004	0.000	0.000	0.000	0.000
178	A	188	PRO	0	-0.009	0.009	44.056	-0.006	-0.006	0.000	0.000	0.000	0.000
179	A	189	PHE	0	0.061	0.021	35.078	0.004	0.004	0.000	0.000	0.000	0.000
180	A	190	GLU	-1	-0.804	-0.901	40.258	-0.129	-0.129	0.000	0.000	0.000	0.000
181	A	191	THR	0	-0.016	-0.007	42.010	0.003	0.003	0.000	0.000	0.000	0.000
182	A	192	ARG	1	0.820	0.909	39.291	0.141	0.141	0.000	0.000	0.000	0.000
183	A	193	ILE	0	0.034	0.029	37.718	0.004	0.004	0.000	0.000	0.000	0.000
184	A	194	ALA	0	-0.018	0.003	41.540	0.004	0.004	0.000	0.000	0.000	0.000
185	A	195	GLU	-1	-0.794	-0.902	44.628	-0.077	-0.077	0.000	0.000	0.000	0.000
186	A	196	GLY	0	0.005	-0.003	43.594	0.004	0.004	0.000	0.000	0.000	0.000
187	A	197	LYS	1	0.867	0.951	39.361	0.113	0.113	0.000	0.000	0.000	0.000
188	A	198	GLN	0	-0.093	-0.062	43.846	0.003	0.003	0.000	0.000	0.000	0.000
189	A	199	ILE	0	0.009	0.001	47.170	0.004	0.004	0.000	0.000	0.000	0.000
190	A	200	LEU	0	0.021	0.006	41.842	0.003	0.003	0.000	0.000	0.000	0.000
191	A	201	LYS	1	0.912	0.971	45.172	0.081	0.081	0.000	0.000	0.000	0.000
192	A	202	GLU	-1	-0.815	-0.891	47.210	-0.064	-0.064	0.000	0.000	0.000	0.000
193	A	203	THR	0	0.032	-0.006	47.008	0.002	0.002	0.000	0.000	0.000	0.000
194	A	204	TYR	0	-0.059	0.006	45.098	0.002	0.002	0.000	0.000	0.000	0.000
195	A	205	GLU	-1	-0.923	-0.965	47.946	-0.050	-0.050	0.000	0.000	0.000	0.000
196	A	206	GLN	0	-0.083	-0.025	51.176	0.002	0.002	0.000	0.000	0.000	0.000
197	A	207	THR	0	-0.062	-0.065	48.868	0.002	0.002	0.000	0.000	0.000	0.000
198	A	208	GLY	0	-0.010	0.011	48.674	0.002	0.002	0.000	0.000	0.000	0.000
199	A	209	HIS	0	-0.033	-0.027	42.194	0.004	0.004	0.000	0.000	0.000	0.000
200	A	210	LYS	1	0.873	0.954	38.799	0.094	0.094	0.000	0.000	0.000	0.000
201	A	211	THR	0	-0.019	-0.021	40.751	0.000	0.000	0.000	0.000	0.000	0.000
202	A	212	LEU	0	-0.026	-0.015	34.638	-0.001	-0.001	0.000	0.000	0.000	0.000
203	A	213	TYR	0	-0.055	-0.068	38.467	0.002	0.002	0.000	0.000	0.000	0.000
204	A	214	ALA	0	-0.015	-0.015	33.970	-0.004	-0.004	0.000	0.000	0.000	0.000
205	A	215	VAL	0	0.007	0.000	35.745	0.002	0.002	0.000	0.000	0.000	0.000
206	A	216	ASN	0	-0.080	-0.053	34.668	-0.021	-0.021	0.000	0.000	0.000	0.000
207	A	217	LEU	0	-0.014	0.007	29.921	0.008	0.008	0.000	0.000	0.000	0.000
208	A	218	THR	0	-0.001	-0.008	32.624	-0.010	-0.010	0.000	0.000	0.000	0.000
209	A	219	GLY	0	0.054	0.026	34.607	0.004	0.004	0.000	0.000	0.000	0.000
210	A	220	ARG	1	0.974	0.987	33.389	0.203	0.203	0.000	0.000	0.000	0.000
211	A	221	THR	0	0.091	0.025	26.930	0.011	0.011	0.000	0.000	0.000	0.000
212	A	222	ALA	0	-0.044	-0.022	29.489	-0.009	-0.009	0.000	0.000	0.000	0.000
213	A	223	ASP	-1	-0.861	-0.921	30.839	-0.202	-0.202	0.000	0.000	0.000	0.000
214	A	224	LEU	0	-0.063	-0.020	28.183	0.008	0.008	0.000	0.000	0.000	0.000
215	A	225	LYS	1	0.844	0.926	24.164	0.351	0.351	0.000	0.000	0.000	0.000
216	A	226	ASP	-1	-0.827	-0.930	29.530	-0.201	-0.201	0.000	0.000	0.000	0.000
217	A	227	LYS	1	0.797	0.922	33.026	0.191	0.191	0.000	0.000	0.000	0.000
218	A	228	ALA	0	0.008	-0.015	29.982	0.011	0.011	0.000	0.000	0.000	0.000
219	A	229	ARG	1	0.883	0.923	27.135	0.247	0.247	0.000	0.000	0.000	0.000
220	A	230	ARG	1	0.793	0.890	32.445	0.139	0.139	0.000	0.000	0.000	0.000
221	A	231	ALA	0	0.003	-0.023	34.014	0.010	0.010	0.000	0.000	0.000	0.000
222	A	232	ALA	0	-0.001	0.004	32.075	0.009	0.009	0.000	0.000	0.000	0.000
223	A	233	GLU	-1	-0.873	-0.906	34.196	-0.123	-0.123	0.000	0.000	0.000	0.000
224	A	234	LEU	0	-0.091	-0.038	36.930	0.010	0.010	0.000	0.000	0.000	0.000
225	A	235	GLY	0	-0.030	-0.017	37.320	0.008	0.008	0.000	0.000	0.000	0.000
226	A	236	ALA	0	-0.037	-0.029	35.382	0.006	0.006	0.000	0.000	0.000	0.000
227	A	237	ASP	-1	-0.882	-0.954	35.359	-0.115	-0.115	0.000	0.000	0.000	0.000
228	A	238	ALA	0	0.017	0.004	32.053	-0.006	-0.006	0.000	0.000	0.000	0.000
229	A	239	LEU	0	-0.003	0.002	30.057	0.007	0.007	0.000	0.000	0.000	0.000
230	A	240	LEU	0	-0.045	-0.016	30.282	-0.013	-0.013	0.000	0.000	0.000	0.000
231	A	241	PHE	0	0.040	0.001	25.238	0.002	0.002	0.000	0.000	0.000	0.000
232	A	242	ASN	0	0.032	0.012	28.535	-0.003	-0.003	0.000	0.000	0.000	0.000
233	A	243	VAL	0	0.138	0.057	22.605	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	244	PHE	0	-0.007	0.007	22.380	-0.014	-0.014	0.000	0.000	0.000	0.000
235	A	245	ALA	0	-0.029	-0.005	26.409	0.012	0.012	0.000	0.000	0.000	0.000
236	A	246	TYR	0	-0.115	-0.084	26.734	0.015	0.015	0.000	0.000	0.000	0.000
237	A	247	GLY	0	-0.028	-0.011	23.130	-0.017	-0.017	0.000	0.000	0.000	0.000
238	A	248	LEU	0	0.013	-0.022	18.103	0.015	0.015	0.000	0.000	0.000	0.000
239	A	249	ASP	-1	-0.868	-0.933	17.375	-0.730	-0.730	0.000	0.000	0.000	0.000
240	A	250	VAL	0	0.002	0.007	19.426	0.019	0.019	0.000	0.000	0.000	0.000
241	A	251	MET	0	-0.071	-0.018	21.097	0.042	0.042	0.000	0.000	0.000	0.000
242	A	252	GLN	0	0.029	0.014	14.324	0.008	0.008	0.000	0.000	0.000	0.000
243	A	253	GLY	0	0.069	0.036	19.624	0.013	0.013	0.000	0.000	0.000	0.000
244	A	254	LEU	0	-0.049	-0.030	21.436	0.038	0.038	0.000	0.000	0.000	0.000
245	A	255	ALA	0	0.004	-0.001	20.571	0.032	0.032	0.000	0.000	0.000	0.000
246	A	256	GLU	-1	-0.837	-0.917	16.436	-0.659	-0.659	0.000	0.000	0.000	0.000
247	A	257	ASP	-1	-0.801	-0.881	20.506	-0.262	-0.262	0.000	0.000	0.000	0.000
248	A	258	PRO	0	0.000	0.007	23.066	0.016	0.016	0.000	0.000	0.000	0.000
249	A	259	GLU	-1	-0.930	-0.966	25.452	-0.170	-0.170	0.000	0.000	0.000	0.000
250	A	260	ILE	0	-0.061	-0.034	26.682	0.012	0.012	0.000	0.000	0.000	0.000
251	A	261	PRO	0	-0.022	0.009	27.433	-0.015	-0.015	0.000	0.000	0.000	0.000
252	A	262	VAL	0	-0.015	-0.022	28.631	0.017	0.017	0.000	0.000	0.000	0.000
253	A	263	PRO	0	-0.034	-0.002	27.634	-0.019	-0.019	0.000	0.000	0.000	0.000
254	A	264	ILE	0	0.011	0.004	24.224	0.007	0.007	0.000	0.000	0.000	0.000
255	A	265	MET	0	-0.025	-0.015	26.932	0.002	0.002	0.000	0.000	0.000	0.000
256	A	266	ALA	0	0.034	0.021	25.121	0.001	0.001	0.000	0.000	0.000	0.000
257	A	267	HIS	0	0.010	0.002	27.233	0.005	0.005	0.000	0.000	0.000	0.000
258	A	268	PRO	0	0.015	0.001	28.260	-0.017	-0.017	0.000	0.000	0.000	0.000
259	A	269	ALA	0	0.055	0.048	29.315	-0.001	-0.001	0.000	0.000	0.000	0.000
260	A	270	VAL	0	-0.004	-0.016	29.984	-0.013	-0.013	0.000	0.000	0.000	0.000
261	A	271	SER	0	0.006	-0.001	26.595	-0.001	-0.001	0.000	0.000	0.000	0.000
262	A	272	GLY	0	0.005	0.019	28.015	-0.005	-0.005	0.000	0.000	0.000	0.000
263	A	273	ALA	0	-0.029	-0.015	29.732	0.007	0.007	0.000	0.000	0.000	0.000
264	A	274	PHE	0	-0.006	-0.009	23.970	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	275	THR	0	0.014	0.004	24.635	-0.012	-0.012	0.000	0.000	0.000	0.000
266	A	276	SER	0	-0.041	-0.038	27.109	0.014	0.014	0.000	0.000	0.000	0.000
267	A	277	SER	0	-0.012	0.014	29.321	0.014	0.014	0.000	0.000	0.000	0.000
268	A	278	PRO	0	0.039	0.026	28.788	-0.015	-0.015	0.000	0.000	0.000	0.000
269	A	279	PHE	0	-0.008	-0.021	28.506	-0.002	-0.002	0.000	0.000	0.000	0.000
270	A	280	TYR	0	0.014	0.011	26.419	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	281	GLY	0	0.000	0.004	24.373	0.005	0.005	0.000	0.000	0.000	0.000
272	A	282	PHE	0	0.024	0.001	18.489	-0.015	-0.015	0.000	0.000	0.000	0.000
273	A	283	SER	0	0.004	-0.003	20.627	0.033	0.033	0.000	0.000	0.000	0.000
274	A	284	HIS	0	0.047	0.002	22.482	-0.028	-0.028	0.000	0.000	0.000	0.000
275	A	285	ALA	0	0.055	0.019	21.547	-0.014	-0.014	0.000	0.000	0.000	0.000
276	A	286	LEU	0	0.016	0.043	15.835	-0.018	-0.018	0.000	0.000	0.000	0.000
277	A	287	LEU	0	-0.013	0.001	18.679	-0.038	-0.038	0.000	0.000	0.000	0.000
278	A	288	LEU	0	-0.007	-0.015	20.918	-0.009	-0.009	0.000	0.000	0.000	0.000
279	A	289	GLY	0	0.021	0.030	21.372	0.020	0.020	0.000	0.000	0.000	0.000
280	A	290	LYS	1	0.832	0.921	13.331	0.491	0.491	0.000	0.000	0.000	0.000
281	A	291	LEU	0	0.009	-0.003	14.436	-0.037	-0.037	0.000	0.000	0.000	0.000
282	A	292	ASN	0	0.009	-0.015	17.213	-0.034	-0.034	0.000	0.000	0.000	0.000
283	A	293	ARG	1	0.782	0.891	17.804	0.259	0.259	0.000	0.000	0.000	0.000
284	A	294	TYR	0	-0.040	-0.058	11.355	-0.034	-0.034	0.000	0.000	0.000	0.000
285	A	295	CYS	0	-0.046	-0.027	15.884	-0.044	-0.044	0.000	0.000	0.000	0.000
286	A	296	GLY	0	0.042	0.009	17.763	0.022	0.022	0.000	0.000	0.000	0.000
287	A	297	ALA	0	-0.056	-0.017	20.567	0.040	0.040	0.000	0.000	0.000	0.000
288	A	298	ASP	-1	-0.711	-0.835	22.868	-0.246	-0.246	0.000	0.000	0.000	0.000
289	A	299	PHE	0	-0.028	-0.021	25.297	0.023	0.023	0.000	0.000	0.000	0.000
290	A	300	SER	0	0.000	-0.011	24.388	-0.020	-0.020	0.000	0.000	0.000	0.000
291	A	301	LEU	0	-0.017	-0.005	26.720	0.017	0.017	0.000	0.000	0.000	0.000
292	A	302	PHE	0	0.033	0.011	27.829	-0.014	-0.014	0.000	0.000	0.000	0.000
293	A	303	PRO	0	-0.014	-0.001	30.406	0.013	0.013	0.000	0.000	0.000	0.000
294	A	304	SER	0	0.036	0.029	32.643	0.001	0.001	0.000	0.000	0.000	0.000
295	A	305	PRO	0	0.026	-0.002	33.422	-0.002	-0.002	0.000	0.000	0.000	0.000
296	A	306	TYR	0	-0.071	-0.063	35.592	0.008	0.008	0.000	0.000	0.000	0.000
297	A	307	GLY	0	0.028	0.033	38.392	0.005	0.005	0.000	0.000	0.000	0.000
298	A	308	SER	0	-0.044	-0.026	40.204	0.000	0.000	0.000	0.000	0.000	0.000
299	A	309	VAL	0	-0.002	0.008	35.921	0.001	0.001	0.000	0.000	0.000	0.000
300	A	310	ALA	0	-0.033	-0.019	35.846	0.000	0.000	0.000	0.000	0.000	0.000
301	A	311	LEU	0	0.031	0.016	28.797	-0.007	-0.007	0.000	0.000	0.000	0.000
302	A	312	PRO	0	0.037	0.020	31.144	0.013	0.013	0.000	0.000	0.000	0.000
303	A	313	ARG	1	0.862	0.889	31.386	0.063	0.063	0.000	0.000	0.000	0.000
304	A	314	ALA	0	-0.013	0.005	28.925	-0.004	-0.004	0.000	0.000	0.000	0.000
305	A	315	ASP	-1	-0.828	-0.922	26.946	-0.178	-0.178	0.000	0.000	0.000	0.000
306	A	316	ALA	0	-0.019	-0.014	26.879	-0.013	-0.013	0.000	0.000	0.000	0.000
307	A	317	LEU	0	-0.035	-0.033	27.841	-0.005	-0.005	0.000	0.000	0.000	0.000
308	A	318	ALA	0	0.052	0.039	23.392	0.000	0.000	0.000	0.000	0.000	0.000
309	A	319	ILE	0	-0.010	-0.003	23.078	-0.018	-0.018	0.000	0.000	0.000	0.000
310	A	320	HIS	0	-0.028	-0.012	23.561	-0.015	-0.015	0.000	0.000	0.000	0.000
311	A	321	GLU	-1	-0.847	-0.915	21.483	-0.107	-0.107	0.000	0.000	0.000	0.000
312	A	322	GLU	-1	-0.832	-0.896	17.532	-0.304	-0.304	0.000	0.000	0.000	0.000
313	A	323	CYS	0	-0.128	-0.053	19.573	-0.031	-0.031	0.000	0.000	0.000	0.000
314	A	324	VAL	0	0.033	0.004	22.147	-0.003	-0.003	0.000	0.000	0.000	0.000
315	A	325	ARG	1	0.780	0.878	16.448	0.215	0.215	0.000	0.000	0.000	0.000
316	A	326	GLU	-1	-0.908	-0.943	19.007	-0.002	-0.002	0.000	0.000	0.000	0.000
317	A	327	ASP	-1	-0.773	-0.878	13.082	-0.382	-0.382	0.000	0.000	0.000	0.000
318	A	328	ALA	0	-0.067	-0.007	12.228	0.034	0.034	0.000	0.000	0.000	0.000
319	A	329	PHE	0	0.002	-0.016	11.541	-0.080	-0.080	0.000	0.000	0.000	0.000
320	A	330	ASN	0	-0.014	0.006	16.839	0.074	0.074	0.000	0.000	0.000	0.000
321	A	331	GLN	0	0.032	0.021	20.079	-0.043	-0.043	0.000	0.000	0.000	0.000
322	A	332	THR	0	-0.026	-0.020	21.937	-0.006	-0.006	0.000	0.000	0.000	0.000
323	A	333	PHE	0	0.008	0.000	23.651	0.017	0.017	0.000	0.000	0.000	0.000
324	A	334	ALA	0	0.013	0.011	26.655	-0.013	-0.013	0.000	0.000	0.000	0.000
325	A	335	VAL	0	-0.015	-0.020	27.894	0.016	0.016	0.000	0.000	0.000	0.000
326	A	336	PRO	0	0.041	0.048	31.147	-0.005	-0.005	0.000	0.000	0.000	0.000
327	A	337	SER	0	-0.039	-0.055	33.036	0.005	0.005	0.000	0.000	0.000	0.000
328	A	338	ALA	0	-0.023	-0.018	35.602	0.007	0.007	0.000	0.000	0.000	0.000
329	A	339	GLY	0	0.023	0.016	38.058	0.004	0.004	0.000	0.000	0.000	0.000
330	A	340	ILE	0	0.053	0.053	36.718	0.006	0.006	0.000	0.000	0.000	0.000
331	A	341	HIS	1	0.804	0.873	41.198	0.081	0.081	0.000	0.000	0.000	0.000
332	A	342	PRO	0	0.121	0.044	43.590	0.000	0.000	0.000	0.000	0.000	0.000
333	A	343	GLY	0	0.060	0.024	44.798	0.001	0.001	0.000	0.000	0.000	0.000
334	A	344	MET	0	-0.081	-0.013	40.708	0.003	0.003	0.000	0.000	0.000	0.000
335	A	345	VAL	0	0.027	0.030	40.337	-0.002	-0.002	0.000	0.000	0.000	0.000
336	A	346	PRO	0	0.068	0.037	39.936	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	347	LEU	0	-0.056	-0.018	39.439	0.002	0.002	0.000	0.000	0.000	0.000
338	A	348	LEU	0	-0.009	-0.019	35.778	-0.002	-0.002	0.000	0.000	0.000	0.000
339	A	349	MET	0	0.001	0.004	35.298	-0.004	-0.004	0.000	0.000	0.000	0.000
340	A	350	ARG	1	0.799	0.906	36.063	0.059	0.059	0.000	0.000	0.000	0.000
341	A	351	ASP	-1	-0.787	-0.846	32.918	-0.067	-0.067	0.000	0.000	0.000	0.000
342	A	352	PHE	0	0.036	0.005	29.923	-0.003	-0.003	0.000	0.000	0.000	0.000
343	A	353	GLY	0	0.036	0.050	31.151	-0.002	-0.002	0.000	0.000	0.000	0.000
344	A	354	ILE	0	0.043	-0.009	32.863	-0.005	-0.005	0.000	0.000	0.000	0.000
345	A	355	ASP	-1	-0.823	-0.890	28.647	-0.087	-0.087	0.000	0.000	0.000	0.000
346	A	356	HIS	0	-0.080	-0.050	29.298	-0.014	-0.014	0.000	0.000	0.000	0.000
347	A	357	ILE	0	-0.013	-0.004	31.340	0.007	0.007	0.000	0.000	0.000	0.000
348	A	358	ILE	0	0.030	0.007	33.776	-0.006	-0.006	0.000	0.000	0.000	0.000
349	A	359	ASN	0	0.057	0.008	35.055	0.010	0.010	0.000	0.000	0.000	0.000
350	A	360	ALA	0	-0.027	-0.011	37.228	0.000	0.000	0.000	0.000	0.000	0.000
351	A	361	GLY	0	0.000	-0.015	39.539	0.003	0.003	0.000	0.000	0.000	0.000
352	A	362	GLY	0	0.063	0.035	40.717	0.004	0.004	0.000	0.000	0.000	0.000
353	A	363	GLY	0	-0.047	-0.030	43.886	0.005	0.005	0.000	0.000	0.000	0.000
354	A	364	VAL	0	0.016	0.027	44.403	0.006	0.006	0.000	0.000	0.000	0.000
355	A	365	HIS	0	-0.021	-0.027	45.496	0.008	0.008	0.000	0.000	0.000	0.000
356	A	366	GLY	0	-0.035	0.000	49.197	0.002	0.002	0.000	0.000	0.000	0.000
357	A	367	HIS	0	-0.043	0.000	50.404	0.003	0.003	0.000	0.000	0.000	0.000
358	A	368	PRO	0	-0.006	-0.013	52.219	0.000	0.000	0.000	0.000	0.000	0.000
359	A	369	ASN	0	-0.065	-0.052	54.730	0.001	0.001	0.000	0.000	0.000	0.000
360	A	370	GLY	0	0.033	0.028	53.216	0.000	0.000	0.000	0.000	0.000	0.000
361	A	371	ALA	0	0.009	-0.018	48.037	0.000	0.000	0.000	0.000	0.000	0.000
362	A	372	GLN	0	0.055	0.019	48.840	0.001	0.001	0.000	0.000	0.000	0.000
363	A	373	GLY	0	0.025	0.017	50.330	0.001	0.001	0.000	0.000	0.000	0.000
364	A	374	GLY	0	-0.014	-0.013	48.456	0.001	0.001	0.000	0.000	0.000	0.000
365	A	375	GLY	0	0.002	0.000	45.636	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	376	ARG	1	0.926	0.936	46.273	0.053	0.053	0.000	0.000	0.000	0.000
367	A	377	ALA	0	-0.077	-0.023	48.589	0.003	0.003	0.000	0.000	0.000	0.000
368	A	378	PHE	0	-0.010	-0.034	41.681	0.001	0.001	0.000	0.000	0.000	0.000
369	A	379	ARG	1	0.911	0.950	42.998	0.063	0.063	0.000	0.000	0.000	0.000
370	A	380	ALA	0	0.047	0.037	45.152	0.002	0.002	0.000	0.000	0.000	0.000
371	A	381	ILE	0	-0.016	-0.019	44.361	0.003	0.003	0.000	0.000	0.000	0.000
372	A	382	ILE	0	-0.004	-0.012	40.263	0.001	0.001	0.000	0.000	0.000	0.000
373	A	383	ASP	-1	-0.882	-0.937	42.885	-0.046	-0.046	0.000	0.000	0.000	0.000
374	A	384	ALA	0	-0.002	0.006	45.109	0.003	0.003	0.000	0.000	0.000	0.000
375	A	385	VAL	0	-0.048	-0.037	41.263	0.003	0.003	0.000	0.000	0.000	0.000
376	A	386	LEU	0	-0.053	-0.018	39.003	0.002	0.002	0.000	0.000	0.000	0.000
377	A	387	GLU	-1	-0.885	-0.934	42.846	-0.028	-0.028	0.000	0.000	0.000	0.000
378	A	388	ALA	0	-0.062	-0.023	45.557	0.003	0.003	0.000	0.000	0.000	0.000
379	A	389	GLN	0	-0.055	-0.036	46.930	0.001	0.001	0.000	0.000	0.000	0.000
380	A	390	PRO	0	0.000	-0.008	49.348	-0.003	-0.003	0.000	0.000	0.000	0.000
381	A	391	ILE	0	0.046	0.007	46.624	-0.001	-0.001	0.000	0.000	0.000	0.000
382	A	392	ASP	-1	-0.916	-0.954	50.800	-0.032	-0.032	0.000	0.000	0.000	0.000
383	A	393	GLU	-1	-0.832	-0.919	54.247	-0.022	-0.022	0.000	0.000	0.000	0.000
384	A	394	LYS	1	0.841	0.926	49.290	0.034	0.034	0.000	0.000	0.000	0.000
385	A	395	ALA	0	-0.076	-0.052	53.102	-0.001	-0.001	0.000	0.000	0.000	0.000
386	A	396	GLU	-1	-0.835	-0.899	54.379	-0.031	-0.031	0.000	0.000	0.000	0.000
387	A	397	GLN	0	-0.061	-0.008	54.895	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	398	CYS	0	-0.025	0.013	51.551	-0.002	-0.002	0.000	0.000	0.000	0.000
389	A	399	LYS	1	1.030	1.003	54.822	0.038	0.038	0.000	0.000	0.000	0.000
390	A	400	ASP	-1	-0.740	-0.862	52.326	-0.051	-0.051	0.000	0.000	0.000	0.000
391	A	401	LEU	0	0.041	0.018	48.761	-0.003	-0.003	0.000	0.000	0.000	0.000
392	A	402	LYS	1	0.868	0.930	51.827	0.032	0.032	0.000	0.000	0.000	0.000
393	A	403	LEU	0	-0.044	-0.019	54.722	0.000	0.000	0.000	0.000	0.000	0.000
394	A	404	ALA	0	-0.024	-0.016	49.597	-0.002	-0.002	0.000	0.000	0.000	0.000
395	A	405	LEU	0	-0.028	-0.015	48.834	-0.002	-0.002	0.000	0.000	0.000	0.000
396	A	406	ASP	-1	-0.898	-0.937	51.708	-0.041	-0.041	0.000	0.000	0.000	0.000
397	A	407	LYS	1	0.797	0.904	52.022	0.061	0.061	0.000	0.000	0.000	0.000
398	A	408	TRP	0	-0.028	-0.034	48.215	-0.003	-0.003	0.000	0.000	0.000	0.000
399	A	409	GLY	0	0.024	0.012	49.373	-0.002	-0.002	0.000	0.000	0.000	0.000
400	A	410	LYS	1	0.909	0.970	46.489	0.057	0.057	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:11:SER)