FMO DATABASE

FMODB ID: R8ZY8

Calculation Name: 2CSU-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2CSU

Chain ID: A

ChEMBL ID:

UniProt ID: O58493

Base Structure: X-ray

Registration Date: 2023-09-24

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	435
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7550864.246709
FMO2-HF: Nuclear repulsion	7383332.482005
FMO2-HF: Total energy	-167531.764703
FMO2-MP2: Total energy	-168018.027873

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.
-7.329	-0.461	2.095	-3.795	-5.167	0.001

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 : 0.050 / q_NPA : 0.016

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	ASP	-1	-0.753	-0.846	3.787	-4.176	-0.314	-0.005	-2.108	-1.749	0.002
4	A	4	TYR	0	0.008	0.008	2.319	-1.037	0.482	1.352	-1.139	-1.731	-0.007
5	A	5	PHE	0	-0.035	-0.024	5.658	0.549	0.549	0.000	0.000	0.000	0.000
6	A	6	PHE	0	-0.032	-0.027	8.013	0.307	0.307	0.000	0.000	0.000	0.000
7	A	7	ASN	0	0.000	0.004	9.490	0.461	0.461	0.000	0.000	0.000	0.000
8	A	8	PRO	0	-0.004	0.026	10.558	0.002	0.002	0.000	0.000	0.000	0.000
9	A	9	LYS	1	0.980	0.979	10.411	0.425	0.425	0.000	0.000	0.000	0.000
10	A	10	GLY	0	0.010	0.013	13.161	0.051	0.051	0.000	0.000	0.000	0.000
11	A	11	ILE	0	-0.012	0.006	13.627	0.027	0.027	0.000	0.000	0.000	0.000
12	A	12	ALA	0	0.025	0.013	15.635	0.011	0.011	0.000	0.000	0.000	0.000
13	A	13	VAL	0	0.005	-0.005	17.464	0.019	0.019	0.000	0.000	0.000	0.000
14	A	14	ILE	0	0.036	0.017	18.037	-0.002	-0.002	0.000	0.000	0.000	0.000
15	A	15	GLY	0	0.026	-0.003	21.330	0.012	0.012	0.000	0.000	0.000	0.000
16	A	16	ALA	0	-0.035	0.009	23.892	-0.014	-0.014	0.000	0.000	0.000	0.000
17	A	17	SER	0	-0.026	-0.016	25.390	0.013	0.013	0.000	0.000	0.000	0.000
18	A	18	ASN	0	0.086	0.022	29.071	-0.020	-0.020	0.000	0.000	0.000	0.000
19	A	19	ASP	-1	-0.837	-0.892	32.350	0.010	0.010	0.000	0.000	0.000	0.000
20	A	20	PRO	0	0.065	0.011	31.762	0.003	0.003	0.000	0.000	0.000	0.000
21	A	21	LYS	1	0.845	0.920	31.732	-0.011	-0.011	0.000	0.000	0.000	0.000
22	A	22	LYS	1	0.877	0.933	28.917	-0.028	-0.028	0.000	0.000	0.000	0.000
23	A	23	LEU	0	0.069	0.034	24.199	-0.005	-0.005	0.000	0.000	0.000	0.000
24	A	24	GLY	0	0.068	0.026	23.956	-0.013	-0.013	0.000	0.000	0.000	0.000
25	A	25	TYR	0	-0.054	-0.017	25.004	-0.008	-0.008	0.000	0.000	0.000	0.000
26	A	26	GLU	-1	-0.775	-0.864	26.006	-0.076	-0.076	0.000	0.000	0.000	0.000
27	A	27	VAL	0	0.006	0.010	20.042	-0.013	-0.013	0.000	0.000	0.000	0.000
28	A	28	PHE	0	0.028	-0.007	22.286	-0.018	-0.018	0.000	0.000	0.000	0.000
29	A	29	LYS	1	0.816	0.890	24.054	0.068	0.068	0.000	0.000	0.000	0.000
30	A	30	ASN	0	-0.034	-0.022	22.864	-0.008	-0.008	0.000	0.000	0.000	0.000
31	A	31	LEU	0	-0.018	-0.008	17.589	-0.022	-0.022	0.000	0.000	0.000	0.000
32	A	32	LYS	1	0.832	0.931	21.431	0.054	0.054	0.000	0.000	0.000	0.000
33	A	33	GLU	-1	-0.943	-0.969	23.342	-0.182	-0.182	0.000	0.000	0.000	0.000
34	A	34	TYR	0	-0.047	-0.037	14.431	-0.034	-0.034	0.000	0.000	0.000	0.000
35	A	35	LYS	1	0.882	0.928	20.733	0.195	0.195	0.000	0.000	0.000	0.000
36	A	36	LYS	1	0.868	0.943	13.645	0.779	0.779	0.000	0.000	0.000	0.000
37	A	37	GLY	0	0.001	0.002	16.137	-0.032	-0.032	0.000	0.000	0.000	0.000
38	A	38	LYS	1	0.839	0.924	17.170	0.116	0.116	0.000	0.000	0.000	0.000
39	A	39	VAL	0	0.011	0.002	17.608	-0.007	-0.007	0.000	0.000	0.000	0.000
40	A	40	TYR	0	-0.036	-0.054	18.998	0.012	0.012	0.000	0.000	0.000	0.000
41	A	41	PRO	0	-0.011	0.010	21.141	0.015	0.015	0.000	0.000	0.000	0.000
42	A	42	VAL	0	0.001	-0.010	20.851	0.010	0.010	0.000	0.000	0.000	0.000
43	A	43	ASN	0	-0.020	-0.040	23.823	0.011	0.011	0.000	0.000	0.000	0.000
44	A	44	ILE	0	0.045	0.016	27.055	-0.004	-0.004	0.000	0.000	0.000	0.000
45	A	45	LYS	1	0.817	0.899	29.265	-0.046	-0.046	0.000	0.000	0.000	0.000
46	A	46	GLU	-1	-0.856	-0.892	30.024	0.026	0.026	0.000	0.000	0.000	0.000
47	A	47	GLU	-1	-0.776	-0.876	30.973	0.067	0.067	0.000	0.000	0.000	0.000
48	A	48	GLU	-1	-0.912	-0.950	30.513	-0.009	-0.009	0.000	0.000	0.000	0.000
49	A	49	VAL	0	-0.016	-0.007	27.731	0.005	0.005	0.000	0.000	0.000	0.000
50	A	50	GLN	0	-0.046	-0.027	28.248	-0.021	-0.021	0.000	0.000	0.000	0.000
51	A	51	GLY	0	0.035	0.018	30.839	-0.012	-0.012	0.000	0.000	0.000	0.000
52	A	52	VAL	0	-0.028	-0.012	25.755	-0.004	-0.004	0.000	0.000	0.000	0.000
53	A	53	LYS	1	0.878	0.943	27.500	-0.040	-0.040	0.000	0.000	0.000	0.000
54	A	54	ALA	0	-0.001	-0.001	26.476	-0.003	-0.003	0.000	0.000	0.000	0.000
55	A	55	TYR	0	-0.007	-0.005	24.075	0.003	0.003	0.000	0.000	0.000	0.000
56	A	56	LYS	1	0.825	0.900	26.123	-0.076	-0.076	0.000	0.000	0.000	0.000
57	A	57	SER	0	-0.038	-0.038	22.830	0.018	0.018	0.000	0.000	0.000	0.000
58	A	58	VAL	0	0.007	-0.015	16.984	-0.021	-0.021	0.000	0.000	0.000	0.000
59	A	59	LYS	1	0.814	0.886	19.676	-0.304	-0.304	0.000	0.000	0.000	0.000
60	A	60	ASP	-1	-0.821	-0.904	21.198	0.138	0.138	0.000	0.000	0.000	0.000
61	A	61	ILE	0	-0.069	-0.023	19.099	-0.020	-0.020	0.000	0.000	0.000	0.000
62	A	62	PRO	0	0.004	-0.007	20.804	0.016	0.016	0.000	0.000	0.000	0.000
63	A	63	ASP	-1	-0.778	-0.843	19.116	-0.044	-0.044	0.000	0.000	0.000	0.000
64	A	64	GLU	-1	-0.858	-0.918	13.934	0.258	0.258	0.000	0.000	0.000	0.000
65	A	65	ILE	0	-0.036	-0.010	13.248	-0.058	-0.058	0.000	0.000	0.000	0.000
66	A	66	ASP	-1	-0.848	-0.935	8.576	-0.261	-0.261	0.000	0.000	0.000	0.000
67	A	67	LEU	0	0.011	0.022	9.073	0.069	0.069	0.000	0.000	0.000	0.000
68	A	68	ALA	0	0.022	0.008	11.371	0.013	0.013	0.000	0.000	0.000	0.000
69	A	69	ILE	0	-0.004	-0.003	13.912	0.010	0.010	0.000	0.000	0.000	0.000
70	A	70	ILE	0	-0.025	0.000	16.352	-0.004	-0.004	0.000	0.000	0.000	0.000
71	A	71	VAL	0	0.026	0.005	18.522	-0.008	-0.008	0.000	0.000	0.000	0.000
72	A	72	VAL	0	-0.002	0.018	21.786	-0.018	-0.018	0.000	0.000	0.000	0.000
73	A	73	PRO	0	-0.006	-0.012	23.727	0.012	0.012	0.000	0.000	0.000	0.000
74	A	74	LYS	1	0.878	0.940	24.115	-0.201	-0.201	0.000	0.000	0.000	0.000
75	A	75	ARG	1	0.927	0.963	24.220	-0.107	-0.107	0.000	0.000	0.000	0.000
76	A	76	PHE	0	0.054	0.018	24.774	0.005	0.005	0.000	0.000	0.000	0.000
77	A	77	VAL	0	-0.002	0.031	18.883	0.015	0.015	0.000	0.000	0.000	0.000
78	A	78	LYS	1	0.911	0.939	19.548	-0.325	-0.325	0.000	0.000	0.000	0.000
79	A	79	ASP	-1	-0.854	-0.910	20.070	0.316	0.316	0.000	0.000	0.000	0.000
80	A	80	THR	0	0.013	-0.027	20.197	0.022	0.022	0.000	0.000	0.000	0.000
81	A	81	LEU	0	0.017	0.025	13.404	-0.003	-0.003	0.000	0.000	0.000	0.000
82	A	82	ILE	0	0.015	0.005	16.076	0.072	0.072	0.000	0.000	0.000	0.000
83	A	83	GLN	0	-0.017	0.000	17.755	0.005	0.005	0.000	0.000	0.000	0.000
84	A	84	CYS	0	-0.065	-0.036	14.128	-0.035	-0.035	0.000	0.000	0.000	0.000
85	A	85	GLY	0	0.031	0.007	13.385	0.037	0.037	0.000	0.000	0.000	0.000
86	A	86	GLU	-1	-0.848	-0.924	14.469	0.382	0.382	0.000	0.000	0.000	0.000
87	A	87	LYS	1	0.780	0.894	15.756	-0.218	-0.218	0.000	0.000	0.000	0.000
88	A	88	GLY	0	0.041	0.040	12.511	-0.032	-0.032	0.000	0.000	0.000	0.000
89	A	89	VAL	0	-0.040	-0.019	10.870	-0.020	-0.020	0.000	0.000	0.000	0.000
90	A	90	LYS	1	0.833	0.902	5.775	-0.305	-0.305	0.000	0.000	0.000	0.000
91	A	91	GLY	0	0.005	0.005	6.667	0.442	0.442	0.000	0.000	0.000	0.000
92	A	92	VAL	0	0.000	-0.009	8.189	-0.150	-0.150	0.000	0.000	0.000	0.000
93	A	93	VAL	0	0.021	0.010	11.217	0.043	0.043	0.000	0.000	0.000	0.000
94	A	94	ILE	0	-0.014	-0.009	13.478	-0.022	-0.022	0.000	0.000	0.000	0.000
95	A	95	ILE	0	0.029	0.011	16.309	-0.014	-0.014	0.000	0.000	0.000	0.000
96	A	96	THR	0	-0.058	-0.039	19.169	-0.013	-0.013	0.000	0.000	0.000	0.000
97	A	97	ALA	0	0.027	0.020	20.697	0.026	0.026	0.000	0.000	0.000	0.000
98	A	98	GLY	0	-0.062	-0.040	23.240	0.003	0.003	0.000	0.000	0.000	0.000
99	A	99	PHE	0	-0.022	-0.025	20.938	0.019	0.019	0.000	0.000	0.000	0.000
100	A	100	GLY	0	0.071	0.039	21.171	-0.018	-0.018	0.000	0.000	0.000	0.000
101	A	101	GLU	-1	-0.756	-0.862	22.295	0.143	0.143	0.000	0.000	0.000	0.000
102	A	102	THR	0	-0.086	-0.045	24.723	-0.013	-0.013	0.000	0.000	0.000	0.000
103	A	103	GLY	0	0.054	0.020	26.733	-0.013	-0.013	0.000	0.000	0.000	0.000
104	A	104	GLU	-1	-0.821	-0.897	26.149	0.204	0.204	0.000	0.000	0.000	0.000
105	A	105	GLH	0	-0.026	-0.046	25.537	0.021	0.021	0.000	0.000	0.000	0.000
106	A	106	GLY	0	0.048	0.025	24.624	0.021	0.021	0.000	0.000	0.000	0.000
107	A	107	LYS	1	0.854	0.916	21.505	-0.141	-0.141	0.000	0.000	0.000	0.000
108	A	108	ARG	1	0.859	0.921	20.796	-0.185	-0.185	0.000	0.000	0.000	0.000
109	A	109	GLU	-1	-0.802	-0.860	21.661	0.276	0.276	0.000	0.000	0.000	0.000
110	A	110	GLU	-1	-0.806	-0.919	17.229	0.342	0.342	0.000	0.000	0.000	0.000
111	A	111	LYS	1	0.808	0.884	16.787	-0.442	-0.442	0.000	0.000	0.000	0.000
112	A	112	GLU	-1	-0.814	-0.882	16.482	0.497	0.497	0.000	0.000	0.000	0.000
113	A	113	LEU	0	-0.017	-0.007	15.983	0.058	0.058	0.000	0.000	0.000	0.000
114	A	114	VAL	0	0.003	0.006	11.123	0.093	0.093	0.000	0.000	0.000	0.000
115	A	115	GLU	-1	-0.831	-0.898	11.938	0.805	0.805	0.000	0.000	0.000	0.000
116	A	116	ILE	0	-0.012	-0.019	13.653	0.079	0.079	0.000	0.000	0.000	0.000
117	A	117	ALA	0	-0.009	-0.010	10.232	0.026	0.026	0.000	0.000	0.000	0.000
118	A	118	HIS	0	-0.018	-0.024	8.277	0.091	0.091	0.000	0.000	0.000	0.000
119	A	119	LYS	1	0.897	0.972	9.878	-0.594	-0.594	0.000	0.000	0.000	0.000
120	A	120	TYR	0	-0.041	-0.027	11.693	-0.190	-0.190	0.000	0.000	0.000	0.000
121	A	121	GLY	0	0.000	0.012	7.625	-0.064	-0.064	0.000	0.000	0.000	0.000
122	A	122	MET	0	-0.089	-0.014	6.071	0.455	0.455	0.000	0.000	0.000	0.000
123	A	123	ARG	1	0.762	0.834	3.128	-6.933	-5.667	0.749	-0.541	-1.474	0.006
124	A	124	ILE	0	-0.020	-0.022	7.051	-0.585	-0.585	0.000	0.000	0.000	0.000
125	A	125	ILE	0	0.021	0.017	8.739	0.003	0.003	0.000	0.000	0.000	0.000
126	A	126	GLY	0	0.033	0.035	11.400	-0.016	-0.016	0.000	0.000	0.000	0.000
127	A	127	PRO	0	-0.070	-0.039	14.640	0.066	0.066	0.000	0.000	0.000	0.000
128	A	128	ASN	0	-0.035	-0.039	17.397	-0.042	-0.042	0.000	0.000	0.000	0.000
129	A	129	CYS	0	-0.052	0.002	16.585	-0.023	-0.023	0.000	0.000	0.000	0.000
130	A	130	VAL	0	0.031	-0.001	18.887	0.006	0.006	0.000	0.000	0.000	0.000
131	A	131	GLY	0	0.041	0.011	16.448	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	132	ILE	0	-0.051	-0.026	11.555	-0.002	-0.002	0.000	0.000	0.000	0.000
133	A	133	MET	0	-0.063	-0.007	15.345	0.031	0.031	0.000	0.000	0.000	0.000
134	A	134	ASN	0	0.015	-0.012	13.227	-0.046	-0.046	0.000	0.000	0.000	0.000
135	A	135	THR	0	0.006	-0.013	15.776	0.015	0.015	0.000	0.000	0.000	0.000
136	A	136	HIS	0	0.017	0.023	15.921	0.083	0.083	0.000	0.000	0.000	0.000
137	A	137	VAL	0	-0.045	-0.026	14.926	0.036	0.036	0.000	0.000	0.000	0.000
138	A	138	ASP	-1	-0.824	-0.905	18.204	-0.309	-0.309	0.000	0.000	0.000	0.000
139	A	139	LEU	0	-0.046	0.000	13.440	0.047	0.047	0.000	0.000	0.000	0.000
140	A	140	ASN	0	0.073	0.026	17.848	-0.035	-0.035	0.000	0.000	0.000	0.000
141	A	141	ALA	0	0.011	0.012	15.677	0.046	0.046	0.000	0.000	0.000	0.000
142	A	142	THR	0	0.005	-0.012	17.439	0.034	0.034	0.000	0.000	0.000	0.000
143	A	143	PHE	0	-0.025	-0.012	20.206	0.008	0.008	0.000	0.000	0.000	0.000
144	A	144	ILE	0	-0.016	-0.004	22.580	0.014	0.014	0.000	0.000	0.000	0.000
145	A	145	THR	0	0.026	0.013	24.429	-0.007	-0.007	0.000	0.000	0.000	0.000
146	A	146	VAL	0	0.037	0.012	21.499	-0.009	-0.009	0.000	0.000	0.000	0.000
147	A	147	ALA	0	0.021	-0.001	22.256	0.017	0.017	0.000	0.000	0.000	0.000
148	A	148	LYS	1	0.838	0.900	23.871	0.171	0.171	0.000	0.000	0.000	0.000
149	A	149	LYS	1	0.812	0.882	21.588	0.354	0.354	0.000	0.000	0.000	0.000
150	A	150	GLY	0	0.024	0.016	22.063	0.036	0.036	0.000	0.000	0.000	0.000
151	A	151	ASN	0	-0.042	-0.019	19.992	0.002	0.002	0.000	0.000	0.000	0.000
152	A	152	VAL	0	0.023	0.028	19.857	-0.020	-0.020	0.000	0.000	0.000	0.000
153	A	153	ALA	0	0.049	0.036	14.890	0.009	0.009	0.000	0.000	0.000	0.000
154	A	154	PHE	0	-0.039	-0.027	16.934	0.054	0.054	0.000	0.000	0.000	0.000
155	A	155	ILE	0	-0.015	0.000	12.807	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	156	SER	0	0.008	-0.015	16.600	0.026	0.026	0.000	0.000	0.000	0.000
157	A	157	GLN	0	0.020	0.014	18.489	-0.009	-0.009	0.000	0.000	0.000	0.000
158	A	158	SER	0	0.046	0.035	19.551	0.023	0.023	0.000	0.000	0.000	0.000
159	A	159	GLY	0	0.037	0.013	21.199	-0.026	-0.026	0.000	0.000	0.000	0.000
160	A	160	ALA	0	-0.007	0.000	21.968	-0.016	-0.016	0.000	0.000	0.000	0.000
161	A	161	LEU	0	0.018	0.009	24.916	-0.007	-0.007	0.000	0.000	0.000	0.000
162	A	162	GLY	0	0.042	0.017	22.035	-0.015	-0.015	0.000	0.000	0.000	0.000
163	A	163	ALA	0	0.013	-0.001	22.990	-0.018	-0.018	0.000	0.000	0.000	0.000
164	A	164	GLY	0	-0.001	0.003	25.071	-0.005	-0.005	0.000	0.000	0.000	0.000
165	A	165	ILE	0	0.010	0.000	24.622	-0.002	-0.002	0.000	0.000	0.000	0.000
166	A	166	VAL	0	0.016	0.024	22.648	-0.012	-0.012	0.000	0.000	0.000	0.000
167	A	167	TYR	0	-0.018	-0.020	25.650	-0.002	-0.002	0.000	0.000	0.000	0.000
168	A	168	LYS	1	0.734	0.850	29.337	0.148	0.148	0.000	0.000	0.000	0.000
169	A	169	THR	0	-0.017	-0.031	25.844	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	170	ILE	0	0.016	0.013	26.916	-0.002	-0.002	0.000	0.000	0.000	0.000
171	A	171	LYS	1	0.856	0.928	29.963	0.125	0.125	0.000	0.000	0.000	0.000
172	A	172	GLU	-1	-0.828	-0.903	31.741	-0.144	-0.144	0.000	0.000	0.000	0.000
173	A	173	ASP	-1	-0.875	-0.911	31.561	-0.195	-0.195	0.000	0.000	0.000	0.000
174	A	174	ILE	0	0.008	0.005	27.981	-0.008	-0.008	0.000	0.000	0.000	0.000
175	A	175	GLY	0	0.038	0.008	25.197	0.012	0.012	0.000	0.000	0.000	0.000
176	A	176	PHE	0	-0.035	-0.015	19.791	-0.002	-0.002	0.000	0.000	0.000	0.000
177	A	177	SER	0	-0.027	-0.009	16.635	0.047	0.047	0.000	0.000	0.000	0.000
178	A	178	LYS	1	0.793	0.872	11.352	1.140	1.140	0.000	0.000	0.000	0.000
179	A	179	PHE	0	0.015	0.014	15.808	0.054	0.054	0.000	0.000	0.000	0.000
180	A	180	ILE	0	0.002	-0.008	11.593	-0.016	-0.016	0.000	0.000	0.000	0.000
181	A	181	SER	0	-0.001	0.022	14.906	0.046	0.046	0.000	0.000	0.000	0.000
182	A	182	VAL	0	0.040	0.000	12.786	0.024	0.024	0.000	0.000	0.000	0.000
183	A	183	GLY	0	0.024	0.018	15.008	0.077	0.077	0.000	0.000	0.000	0.000
184	A	184	ASN	0	-0.061	-0.053	18.000	-0.046	-0.046	0.000	0.000	0.000	0.000
185	A	185	MET	0	-0.063	0.004	13.241	-0.018	-0.018	0.000	0.000	0.000	0.000
186	A	186	ALA	0	-0.015	-0.012	14.084	0.016	0.016	0.000	0.000	0.000	0.000
187	A	187	ASP	-1	-0.761	-0.847	8.208	2.388	2.388	0.000	0.000	0.000	0.000
188	A	188	VAL	0	-0.022	0.012	5.987	0.018	0.018	0.000	0.000	0.000	0.000
189	A	189	ASP	-1	-0.809	-0.916	8.576	-0.214	-0.214	0.000	0.000	0.000	0.000
190	A	190	PHE	0	0.041	-0.013	9.794	-0.148	-0.148	0.000	0.000	0.000	0.000
191	A	191	ALA	0	-0.038	-0.002	9.809	-0.128	-0.128	0.000	0.000	0.000	0.000
192	A	192	GLU	-1	-0.706	-0.832	4.784	1.152	1.373	-0.001	-0.007	-0.213	0.000
193	A	193	LEU	0	-0.008	-0.002	6.545	-0.571	-0.571	0.000	0.000	0.000	0.000
194	A	194	MET	0	-0.021	-0.004	8.862	-0.191	-0.191	0.000	0.000	0.000	0.000
195	A	195	GLU	-1	-0.830	-0.915	6.438	-1.242	-1.242	0.000	0.000	0.000	0.000
196	A	196	TYR	0	-0.063	-0.052	5.215	0.002	0.002	0.000	0.000	0.000	0.000
197	A	197	LEU	0	0.015	-0.007	6.863	0.119	0.119	0.000	0.000	0.000	0.000
198	A	198	ALA	0	-0.036	-0.001	10.134	0.217	0.217	0.000	0.000	0.000	0.000
199	A	199	ASP	-1	-0.803	-0.886	9.323	-1.087	-1.087	0.000	0.000	0.000	0.000
200	A	200	THR	0	-0.051	-0.032	9.799	0.015	0.015	0.000	0.000	0.000	0.000
201	A	201	GLU	-1	-0.906	-0.949	11.891	-0.608	-0.608	0.000	0.000	0.000	0.000
202	A	202	GLU	-1	-0.872	-0.938	13.877	-0.996	-0.996	0.000	0.000	0.000	0.000
203	A	203	ASP	-1	-0.758	-0.810	13.566	-0.933	-0.933	0.000	0.000	0.000	0.000
204	A	204	LYS	1	0.964	0.977	16.333	0.391	0.391	0.000	0.000	0.000	0.000
205	A	205	ALA	0	0.016	0.021	18.958	0.029	0.029	0.000	0.000	0.000	0.000
206	A	206	ILE	0	-0.014	-0.006	13.617	-0.039	-0.039	0.000	0.000	0.000	0.000
207	A	207	ALA	0	0.023	0.022	17.657	0.050	0.050	0.000	0.000	0.000	0.000
208	A	208	LEU	0	-0.024	-0.027	15.539	-0.019	-0.019	0.000	0.000	0.000	0.000
209	A	209	TYR	0	-0.031	-0.038	19.429	0.026	0.026	0.000	0.000	0.000	0.000
210	A	210	ILE	0	-0.028	-0.016	18.650	0.012	0.012	0.000	0.000	0.000	0.000
211	A	211	GLU	-1	-0.777	-0.880	21.106	-0.031	-0.031	0.000	0.000	0.000	0.000
212	A	212	GLY	0	-0.025	-0.024	20.805	0.006	0.006	0.000	0.000	0.000	0.000
213	A	213	VAL	0	-0.002	0.008	15.745	0.016	0.016	0.000	0.000	0.000	0.000
214	A	214	ARG	1	0.892	0.940	14.304	-0.271	-0.271	0.000	0.000	0.000	0.000
215	A	215	ASN	0	0.036	0.019	12.946	-0.033	-0.033	0.000	0.000	0.000	0.000
216	A	216	GLY	0	0.071	0.035	14.550	-0.048	-0.048	0.000	0.000	0.000	0.000
217	A	217	LYS	1	0.843	0.910	15.943	0.099	0.099	0.000	0.000	0.000	0.000
218	A	218	LYS	1	0.809	0.877	7.269	-0.151	-0.151	0.000	0.000	0.000	0.000
219	A	219	PHE	0	0.069	0.013	12.722	-0.084	-0.084	0.000	0.000	0.000	0.000
220	A	220	MET	0	-0.007	0.011	14.023	-0.070	-0.070	0.000	0.000	0.000	0.000
221	A	221	GLU	-1	-0.792	-0.863	13.700	-0.237	-0.237	0.000	0.000	0.000	0.000
222	A	222	VAL	0	-0.031	0.004	9.778	-0.037	-0.037	0.000	0.000	0.000	0.000
223	A	223	ALA	0	0.004	0.007	12.652	-0.043	-0.043	0.000	0.000	0.000	0.000
224	A	224	LYS	1	0.868	0.916	15.694	0.207	0.207	0.000	0.000	0.000	0.000
225	A	225	ARG	1	0.753	0.865	9.855	0.766	0.766	0.000	0.000	0.000	0.000
226	A	226	VAL	0	0.037	0.006	11.715	-0.001	-0.001	0.000	0.000	0.000	0.000
227	A	227	THR	0	-0.019	-0.010	14.805	-0.013	-0.013	0.000	0.000	0.000	0.000
228	A	228	LYS	1	0.906	0.966	18.090	0.358	0.358	0.000	0.000	0.000	0.000
229	A	229	LYS	1	0.771	0.880	12.107	1.051	1.051	0.000	0.000	0.000	0.000
230	A	230	LYS	1	0.787	0.878	13.367	1.032	1.032	0.000	0.000	0.000	0.000
231	A	231	PRO	0	0.001	0.028	18.154	-0.011	-0.011	0.000	0.000	0.000	0.000
232	A	232	ILE	0	-0.004	-0.008	15.913	-0.033	-0.033	0.000	0.000	0.000	0.000
233	A	233	ILE	0	-0.024	-0.007	19.368	0.042	0.042	0.000	0.000	0.000	0.000
234	A	234	ALA	0	-0.010	-0.003	20.872	-0.005	-0.005	0.000	0.000	0.000	0.000
235	A	235	LEU	0	0.006	0.014	22.263	0.014	0.014	0.000	0.000	0.000	0.000
236	A	236	LYS	1	0.770	0.887	23.192	0.070	0.070	0.000	0.000	0.000	0.000
237	A	237	ALA	0	0.050	0.034	25.172	0.007	0.007	0.000	0.000	0.000	0.000
238	A	238	GLY	0	-0.021	-0.012	26.934	0.007	0.007	0.000	0.000	0.000	0.000
239	A	257	SER	0	0.026	0.001	26.664	-0.003	-0.003	0.000	0.000	0.000	0.000
240	A	258	TRP	0	0.036	0.005	27.354	0.002	0.002	0.000	0.000	0.000	0.000
241	A	259	LYS	1	1.010	0.997	28.119	0.063	0.063	0.000	0.000	0.000	0.000
242	A	260	ILE	0	-0.024	-0.006	25.979	-0.006	-0.006	0.000	0.000	0.000	0.000
243	A	261	TYR	0	0.031	0.016	20.327	-0.008	-0.008	0.000	0.000	0.000	0.000
244	A	262	GLU	-1	-0.758	-0.891	24.238	-0.141	-0.141	0.000	0.000	0.000	0.000
245	A	263	ALA	0	-0.037	-0.008	26.329	-0.013	-0.013	0.000	0.000	0.000	0.000
246	A	264	ALA	0	-0.001	-0.006	22.137	-0.010	-0.010	0.000	0.000	0.000	0.000
247	A	265	PHE	0	0.024	-0.002	19.391	-0.022	-0.022	0.000	0.000	0.000	0.000
248	A	266	LYS	1	0.912	0.966	22.550	0.159	0.159	0.000	0.000	0.000	0.000
249	A	267	GLN	0	-0.032	-0.016	24.379	-0.013	-0.013	0.000	0.000	0.000	0.000
250	A	268	SER	0	-0.084	-0.050	18.956	-0.005	-0.005	0.000	0.000	0.000	0.000
251	A	269	GLY	0	0.064	0.030	20.008	-0.039	-0.039	0.000	0.000	0.000	0.000
252	A	270	VAL	0	-0.063	-0.008	18.939	-0.024	-0.024	0.000	0.000	0.000	0.000
253	A	271	LEU	0	-0.019	-0.003	21.647	0.037	0.037	0.000	0.000	0.000	0.000
254	A	272	VAL	0	-0.029	-0.024	23.720	-0.007	-0.007	0.000	0.000	0.000	0.000
255	A	273	ALA	0	0.010	0.013	26.214	0.004	0.004	0.000	0.000	0.000	0.000
256	A	274	ASN	0	-0.063	-0.044	28.032	0.010	0.010	0.000	0.000	0.000	0.000
257	A	275	THR	0	-0.009	-0.028	30.393	0.008	0.008	0.000	0.000	0.000	0.000
258	A	276	ILE	0	0.053	0.010	27.730	-0.014	-0.014	0.000	0.000	0.000	0.000
259	A	277	ASP	-1	-0.762	-0.854	28.418	-0.157	-0.157	0.000	0.000	0.000	0.000
260	A	278	GLU	-1	-0.737	-0.808	29.922	-0.150	-0.150	0.000	0.000	0.000	0.000
261	A	279	MET	0	-0.020	-0.004	23.598	-0.015	-0.015	0.000	0.000	0.000	0.000
262	A	280	LEU	0	-0.013	-0.011	25.107	-0.026	-0.026	0.000	0.000	0.000	0.000
263	A	281	SER	0	-0.003	-0.017	26.851	-0.017	-0.017	0.000	0.000	0.000	0.000
264	A	282	MET	0	-0.049	-0.020	26.845	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	283	ALA	0	-0.001	-0.008	22.352	-0.016	-0.016	0.000	0.000	0.000	0.000
266	A	284	ARG	1	0.800	0.864	23.823	0.195	0.195	0.000	0.000	0.000	0.000
267	A	285	ALA	0	0.015	0.023	25.886	0.002	0.002	0.000	0.000	0.000	0.000
268	A	286	PHE	0	-0.023	-0.016	23.327	0.006	0.006	0.000	0.000	0.000	0.000
269	A	287	SER	0	-0.069	-0.045	23.963	-0.033	-0.033	0.000	0.000	0.000	0.000
270	A	288	GLN	0	-0.030	-0.012	26.035	0.010	0.010	0.000	0.000	0.000	0.000
271	A	289	PRO	0	0.050	0.032	26.976	-0.021	-0.021	0.000	0.000	0.000	0.000
272	A	290	LEU	0	0.001	-0.007	24.357	0.007	0.007	0.000	0.000	0.000	0.000
273	A	291	PRO	0	-0.009	0.011	28.518	0.010	0.010	0.000	0.000	0.000	0.000
274	A	292	ARG	1	0.899	0.931	31.808	0.159	0.159	0.000	0.000	0.000	0.000
275	A	293	GLY	0	0.000	0.005	33.934	0.007	0.007	0.000	0.000	0.000	0.000
276	A	294	ASN	0	-0.006	-0.006	35.109	-0.005	-0.005	0.000	0.000	0.000	0.000
277	A	295	LYS	1	0.885	0.954	37.382	0.129	0.129	0.000	0.000	0.000	0.000
278	A	296	VAL	0	0.040	0.021	37.809	-0.004	-0.004	0.000	0.000	0.000	0.000
279	A	297	ALA	0	0.033	0.020	40.273	0.009	0.009	0.000	0.000	0.000	0.000
280	A	298	ILE	0	0.002	-0.005	41.496	-0.006	-0.006	0.000	0.000	0.000	0.000
281	A	299	MET	0	-0.016	0.017	43.344	0.004	0.004	0.000	0.000	0.000	0.000
282	A	300	THR	0	-0.035	-0.021	44.659	-0.005	-0.005	0.000	0.000	0.000	0.000
283	A	301	ASN	0	0.017	0.018	47.199	0.000	0.000	0.000	0.000	0.000	0.000
284	A	302	ALA	0	0.037	0.008	49.411	0.005	0.005	0.000	0.000	0.000	0.000
285	A	303	GLY	0	0.088	0.061	49.312	-0.003	-0.003	0.000	0.000	0.000	0.000
286	A	304	GLY	0	-0.054	-0.021	49.922	-0.001	-0.001	0.000	0.000	0.000	0.000
287	A	305	PRO	0	0.053	0.004	45.339	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	306	GLY	0	0.032	0.039	45.153	-0.005	-0.005	0.000	0.000	0.000	0.000
289	A	307	VAL	0	-0.031	-0.024	45.962	-0.003	-0.003	0.000	0.000	0.000	0.000
290	A	308	LEU	0	0.052	0.032	44.832	-0.002	-0.002	0.000	0.000	0.000	0.000
291	A	309	THR	0	-0.009	-0.019	40.383	-0.005	-0.005	0.000	0.000	0.000	0.000
292	A	310	ALA	0	-0.014	-0.011	41.764	-0.005	-0.005	0.000	0.000	0.000	0.000
293	A	311	ASP	-1	-0.891	-0.941	43.331	-0.086	-0.086	0.000	0.000	0.000	0.000
294	A	312	GLU	-1	-0.834	-0.917	39.225	-0.106	-0.106	0.000	0.000	0.000	0.000
295	A	313	LEU	0	-0.020	-0.010	37.544	-0.008	-0.008	0.000	0.000	0.000	0.000
296	A	314	ASP	-1	-0.844	-0.900	39.257	-0.099	-0.099	0.000	0.000	0.000	0.000
297	A	315	LYS	1	0.782	0.877	38.806	0.101	0.101	0.000	0.000	0.000	0.000
298	A	316	ARG	1	0.792	0.881	32.251	0.144	0.144	0.000	0.000	0.000	0.000
299	A	317	GLY	0	-0.027	-0.006	35.868	-0.008	-0.008	0.000	0.000	0.000	0.000
300	A	318	LEU	0	-0.054	-0.024	34.827	-0.002	-0.002	0.000	0.000	0.000	0.000
301	A	319	LYS	1	0.798	0.883	38.693	0.109	0.109	0.000	0.000	0.000	0.000
302	A	320	LEU	0	0.017	0.012	41.948	-0.005	-0.005	0.000	0.000	0.000	0.000
303	A	321	ALA	0	0.012	0.016	43.113	0.002	0.002	0.000	0.000	0.000	0.000
304	A	322	THR	0	-0.047	-0.032	44.827	0.004	0.004	0.000	0.000	0.000	0.000
305	A	323	LEU	0	0.007	0.014	46.540	-0.002	-0.002	0.000	0.000	0.000	0.000
306	A	324	GLU	-1	-0.822	-0.898	49.085	-0.088	-0.088	0.000	0.000	0.000	0.000
307	A	325	GLU	-1	-0.761	-0.868	51.357	-0.072	-0.072	0.000	0.000	0.000	0.000
308	A	326	LYS	1	0.856	0.918	51.275	0.090	0.090	0.000	0.000	0.000	0.000
309	A	327	THR	0	-0.030	-0.038	48.285	0.000	0.000	0.000	0.000	0.000	0.000
310	A	328	ILE	0	-0.020	-0.006	51.454	0.000	0.000	0.000	0.000	0.000	0.000
311	A	329	GLU	-1	-0.948	-0.981	53.781	-0.069	-0.069	0.000	0.000	0.000	0.000
312	A	330	GLU	-1	-0.828	-0.894	52.271	-0.090	-0.090	0.000	0.000	0.000	0.000
313	A	331	LEU	0	0.010	0.019	49.596	0.001	0.001	0.000	0.000	0.000	0.000
314	A	332	ARG	1	0.779	0.847	53.731	0.072	0.072	0.000	0.000	0.000	0.000
315	A	333	SER	0	-0.085	-0.048	56.346	0.003	0.003	0.000	0.000	0.000	0.000
316	A	334	PHE	0	-0.067	-0.041	51.199	0.001	0.001	0.000	0.000	0.000	0.000
317	A	335	LEU	0	0.001	0.017	51.961	0.001	0.001	0.000	0.000	0.000	0.000
318	A	336	PRO	0	-0.004	-0.010	56.303	0.003	0.003	0.000	0.000	0.000	0.000
319	A	337	PRO	0	0.024	-0.006	58.882	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	338	MET	0	-0.039	-0.009	60.019	0.001	0.001	0.000	0.000	0.000	0.000
321	A	339	ALA	0	-0.005	0.013	54.741	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	340	ALA	0	-0.032	-0.003	52.905	0.001	0.001	0.000	0.000	0.000	0.000
323	A	341	VAL	0	0.021	0.000	52.506	-0.003	-0.003	0.000	0.000	0.000	0.000
324	A	342	LYS	1	0.967	0.983	51.963	0.077	0.077	0.000	0.000	0.000	0.000
325	A	343	ASN	0	-0.023	-0.026	47.812	0.001	0.001	0.000	0.000	0.000	0.000
326	A	344	PRO	0	-0.062	-0.008	46.910	-0.004	-0.004	0.000	0.000	0.000	0.000
327	A	345	VAL	0	0.015	-0.004	47.756	0.004	0.004	0.000	0.000	0.000	0.000
328	A	346	ASP	-1	-0.895	-0.967	48.816	-0.085	-0.085	0.000	0.000	0.000	0.000
329	A	347	MET	0	0.017	0.014	47.423	0.004	0.004	0.000	0.000	0.000	0.000
330	A	348	ILE	0	0.022	0.011	52.463	0.000	0.000	0.000	0.000	0.000	0.000
331	A	349	ALA	0	0.058	0.016	52.958	-0.002	-0.002	0.000	0.000	0.000	0.000
332	A	350	SER	0	-0.047	-0.031	53.733	0.000	0.000	0.000	0.000	0.000	0.000
333	A	351	ALA	0	-0.051	-0.009	51.171	0.000	0.000	0.000	0.000	0.000	0.000
334	A	352	ARG	1	0.875	0.907	51.311	0.078	0.078	0.000	0.000	0.000	0.000
335	A	353	GLY	0	0.015	0.001	47.683	-0.003	-0.003	0.000	0.000	0.000	0.000
336	A	354	GLU	-1	-0.806	-0.882	47.803	-0.104	-0.104	0.000	0.000	0.000	0.000
337	A	355	ASP	-1	-0.816	-0.896	49.997	-0.086	-0.086	0.000	0.000	0.000	0.000
338	A	356	TYR	0	-0.002	-0.037	44.377	0.000	0.000	0.000	0.000	0.000	0.000
339	A	357	TYR	0	-0.054	-0.058	44.777	-0.002	-0.002	0.000	0.000	0.000	0.000
340	A	358	ARG	1	0.855	0.919	45.950	0.083	0.083	0.000	0.000	0.000	0.000
341	A	359	THR	0	0.020	-0.006	46.723	0.000	0.000	0.000	0.000	0.000	0.000
342	A	360	ALA	0	0.016	-0.004	42.072	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	361	LYS	1	0.855	0.920	43.151	0.106	0.106	0.000	0.000	0.000	0.000
344	A	362	LEU	0	-0.037	-0.011	44.582	-0.002	-0.002	0.000	0.000	0.000	0.000
345	A	363	LEU	0	-0.002	-0.006	43.507	-0.001	-0.001	0.000	0.000	0.000	0.000
346	A	364	LEU	0	0.016	0.001	38.228	-0.004	-0.004	0.000	0.000	0.000	0.000
347	A	365	GLN	0	-0.013	-0.004	41.310	-0.005	-0.005	0.000	0.000	0.000	0.000
348	A	366	ASP	-1	-0.738	-0.827	44.038	-0.105	-0.105	0.000	0.000	0.000	0.000
349	A	367	PRO	0	0.010	0.001	43.305	-0.007	-0.007	0.000	0.000	0.000	0.000
350	A	368	ASN	0	-0.098	-0.047	42.757	-0.004	-0.004	0.000	0.000	0.000	0.000
351	A	369	VAL	0	-0.033	-0.009	40.025	0.000	0.000	0.000	0.000	0.000	0.000
352	A	370	ASP	-1	-0.854	-0.941	36.350	-0.153	-0.153	0.000	0.000	0.000	0.000
353	A	371	MET	0	-0.042	-0.010	34.112	-0.016	-0.016	0.000	0.000	0.000	0.000
354	A	372	LEU	0	-0.026	0.004	36.883	0.012	0.012	0.000	0.000	0.000	0.000
355	A	373	ILE	0	-0.010	-0.004	37.335	-0.009	-0.009	0.000	0.000	0.000	0.000
356	A	374	ALA	0	0.023	0.003	39.351	0.009	0.009	0.000	0.000	0.000	0.000
357	A	375	ILE	0	-0.004	-0.009	40.893	-0.004	-0.004	0.000	0.000	0.000	0.000
358	A	376	CYS	0	-0.047	-0.002	43.249	0.004	0.004	0.000	0.000	0.000	0.000
359	A	377	VAL	0	0.005	0.010	44.863	-0.002	-0.002	0.000	0.000	0.000	0.000
360	A	378	VAL	0	0.030	0.019	44.417	0.002	0.002	0.000	0.000	0.000	0.000
361	A	379	PRO	0	-0.021	0.006	47.553	0.004	0.004	0.000	0.000	0.000	0.000
362	A	380	THR	0	0.001	-0.016	50.848	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	381	PHE	0	0.018	0.004	53.300	0.004	0.004	0.000	0.000	0.000	0.000
364	A	382	ALA	0	-0.005	-0.014	55.601	-0.002	-0.002	0.000	0.000	0.000	0.000
365	A	383	GLY	0	0.020	0.016	56.579	0.000	0.000	0.000	0.000	0.000	0.000
366	A	384	MET	0	-0.072	0.010	51.588	-0.002	-0.002	0.000	0.000	0.000	0.000
367	A	385	THR	0	0.010	0.005	47.693	0.001	0.001	0.000	0.000	0.000	0.000
368	A	386	LEU	0	-0.007	-0.013	46.053	0.000	0.000	0.000	0.000	0.000	0.000
369	A	387	THR	0	-0.034	-0.046	42.911	-0.003	-0.003	0.000	0.000	0.000	0.000
370	A	388	GLU	-1	-0.723	-0.852	44.134	-0.095	-0.095	0.000	0.000	0.000	0.000
371	A	389	HIS	0	-0.001	-0.007	45.287	-0.006	-0.006	0.000	0.000	0.000	0.000
372	A	390	ALA	0	0.024	0.008	40.291	-0.003	-0.003	0.000	0.000	0.000	0.000
373	A	391	GLU	-1	-0.884	-0.934	41.031	-0.122	-0.122	0.000	0.000	0.000	0.000
374	A	392	GLY	0	0.007	0.010	42.590	-0.003	-0.003	0.000	0.000	0.000	0.000
375	A	393	ILE	0	-0.016	-0.010	38.651	-0.002	-0.002	0.000	0.000	0.000	0.000
376	A	394	ILE	0	-0.003	-0.001	37.046	-0.006	-0.006	0.000	0.000	0.000	0.000
377	A	395	ARG	1	0.755	0.844	39.022	0.106	0.106	0.000	0.000	0.000	0.000
378	A	396	ALA	0	0.014	0.008	41.694	0.000	0.000	0.000	0.000	0.000	0.000
379	A	397	VAL	0	0.017	0.005	34.983	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	398	LYS	1	0.936	0.972	36.350	0.170	0.170	0.000	0.000	0.000	0.000
381	A	399	GLU	-1	-0.797	-0.830	38.056	-0.117	-0.117	0.000	0.000	0.000	0.000
382	A	400	VAL	0	-0.019	-0.024	40.002	0.001	0.001	0.000	0.000	0.000	0.000
383	A	401	ASN	0	-0.106	-0.047	36.222	-0.009	-0.009	0.000	0.000	0.000	0.000
384	A	402	ASN	0	-0.014	-0.015	35.580	-0.007	-0.007	0.000	0.000	0.000	0.000
385	A	403	GLU	-1	-0.875	-0.947	29.110	-0.266	-0.266	0.000	0.000	0.000	0.000
386	A	404	LYS	1	0.749	0.882	32.696	0.140	0.140	0.000	0.000	0.000	0.000
387	A	405	PRO	0	-0.014	0.001	31.150	0.002	0.002	0.000	0.000	0.000	0.000
388	A	406	VAL	0	0.004	-0.012	33.076	0.016	0.016	0.000	0.000	0.000	0.000
389	A	407	LEU	0	-0.024	-0.005	31.608	-0.012	-0.012	0.000	0.000	0.000	0.000
390	A	408	ALA	0	0.024	0.008	35.166	0.011	0.011	0.000	0.000	0.000	0.000
391	A	409	MET	0	-0.038	-0.018	37.017	-0.004	-0.004	0.000	0.000	0.000	0.000
392	A	410	PHE	0	0.034	0.010	39.683	0.007	0.007	0.000	0.000	0.000	0.000
393	A	411	MET	0	-0.018	0.015	41.387	0.000	0.000	0.000	0.000	0.000	0.000
394	A	412	ALA	0	0.072	0.002	43.141	0.002	0.002	0.000	0.000	0.000	0.000
395	A	413	GLY	0	-0.012	-0.001	41.856	0.004	0.004	0.000	0.000	0.000	0.000
396	A	414	TYR	0	-0.026	-0.022	42.319	-0.003	-0.003	0.000	0.000	0.000	0.000
397	A	415	VAL	0	-0.065	-0.015	44.027	-0.001	-0.001	0.000	0.000	0.000	0.000
398	A	416	SER	0	0.004	-0.008	41.747	0.000	0.000	0.000	0.000	0.000	0.000
399	A	417	GLU	-1	-0.831	-0.918	38.575	-0.125	-0.125	0.000	0.000	0.000	0.000
400	A	418	LYS	1	0.984	0.991	38.808	0.097	0.097	0.000	0.000	0.000	0.000
401	A	419	ALA	0	-0.006	0.006	40.028	-0.005	-0.005	0.000	0.000	0.000	0.000
402	A	420	LYS	1	0.852	0.934	32.350	0.176	0.176	0.000	0.000	0.000	0.000
403	A	421	GLU	-1	-0.912	-0.960	35.036	-0.154	-0.154	0.000	0.000	0.000	0.000
404	A	422	LEU	0	-0.054	-0.028	34.841	-0.012	-0.012	0.000	0.000	0.000	0.000
405	A	423	LEU	0	0.015	0.019	35.715	-0.006	-0.006	0.000	0.000	0.000	0.000
406	A	424	GLU	-1	-0.699	-0.818	30.527	-0.234	-0.234	0.000	0.000	0.000	0.000
407	A	425	LYS	1	0.907	0.965	30.568	0.159	0.159	0.000	0.000	0.000	0.000
408	A	426	ASN	0	-0.093	-0.061	31.958	-0.005	-0.005	0.000	0.000	0.000	0.000
409	A	427	GLY	0	0.039	0.025	29.312	-0.003	-0.003	0.000	0.000	0.000	0.000
410	A	428	ILE	0	-0.004	0.019	30.085	-0.008	-0.008	0.000	0.000	0.000	0.000
411	A	429	PRO	0	-0.035	-0.002	29.329	0.010	0.010	0.000	0.000	0.000	0.000
412	A	430	THR	0	-0.010	-0.012	31.882	0.015	0.015	0.000	0.000	0.000	0.000
413	A	431	TYR	0	-0.089	-0.075	30.117	-0.007	-0.007	0.000	0.000	0.000	0.000
414	A	432	GLU	-1	-0.848	-0.924	36.070	-0.110	-0.110	0.000	0.000	0.000	0.000
415	A	433	ARG	1	0.811	0.883	34.535	0.136	0.136	0.000	0.000	0.000	0.000
416	A	434	PRO	0	0.019	0.004	38.408	-0.008	-0.008	0.000	0.000	0.000	0.000
417	A	435	GLU	-1	-0.797	-0.915	37.074	-0.117	-0.117	0.000	0.000	0.000	0.000
418	A	436	ASP	-1	-0.809	-0.869	34.143	-0.150	-0.150	0.000	0.000	0.000	0.000
419	A	437	VAL	0	0.018	0.000	33.621	-0.013	-0.013	0.000	0.000	0.000	0.000
420	A	438	ALA	0	0.028	0.020	35.088	-0.008	-0.008	0.000	0.000	0.000	0.000
421	A	439	SER	0	-0.028	-0.042	31.859	-0.003	-0.003	0.000	0.000	0.000	0.000
422	A	440	ALA	0	-0.029	-0.003	30.253	-0.012	-0.012	0.000	0.000	0.000	0.000
423	A	441	ALA	0	0.061	0.020	30.689	-0.013	-0.013	0.000	0.000	0.000	0.000
424	A	442	TYR	0	-0.072	-0.064	30.044	-0.004	-0.004	0.000	0.000	0.000	0.000
425	A	443	ALA	0	-0.010	-0.010	26.986	-0.005	-0.005	0.000	0.000	0.000	0.000
426	A	444	LEU	0	0.032	0.016	27.765	-0.014	-0.014	0.000	0.000	0.000	0.000
427	A	445	VAL	0	0.037	0.014	29.049	-0.007	-0.007	0.000	0.000	0.000	0.000
428	A	446	GLU	-1	-0.823	-0.880	27.618	-0.180	-0.180	0.000	0.000	0.000	0.000
429	A	447	GLN	0	0.023	0.004	21.531	0.008	0.008	0.000	0.000	0.000	0.000
430	A	448	ALA	0	0.019	0.014	25.784	-0.016	-0.016	0.000	0.000	0.000	0.000
431	A	449	LYS	1	0.850	0.909	28.194	0.176	0.176	0.000	0.000	0.000	0.000
432	A	450	ASN	0	-0.075	-0.044	22.943	0.025	0.025	0.000	0.000	0.000	0.000
433	A	451	VAL	0	-0.048	-0.023	22.636	-0.011	-0.011	0.000	0.000	0.000	0.000
434	A	452	GLY	0	-0.040	0.002	24.766	0.001	0.001	0.000	0.000	0.000	0.000
435	A	453	ILE	0	-0.059	-0.026	27.020	0.018	0.018	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Manual

Support

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