FMO DATABASE

FMODB ID: 6YYNZ

Calculation Name: 4C5Z-A-Xray372

Preferred Name:
Warning: Undefined array key "pref_name" in /home/FMODBwui_src/fmodbwui/detail.php on line 446

Target Type:
Warning: Undefined array key "target_type" in /home/FMODBwui_src/fmodbwui/detail.php on line 447

Ligand Name:
Warning: Undefined variable $Ligand in /home/FMODBwui_src/fmodbwui/detail.php on line 448

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 448

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 448

ligand 3-letter code:
Warning: Undefined variable $Ligand in /home/FMODBwui_src/fmodbwui/detail.php on line 449

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 449

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 449

PDB ID: 4C5Z

Chain ID: A

ChEMBL ID:
Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452

Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452

UniProt ID: G3XP38

Base Structure: X-ray

Registration Date: 2023-09-21

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	436
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7451152.689239
FMO2-HF: Nuclear repulsion	7288472.332235
FMO2-HF: Total energy	-162680.357004
FMO2-MP2: Total energy	-163155.97288

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:45:ASP)

Summations of interaction energy for fragment #1(A:45:ASP)

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.
37.632	39.353	-0.001	-0.807	-0.913	0.003

Interaction energy analysis for fragmet #1(A:45:ASP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -1 / q_Mulliken : -1.002 / q_NPA : -1.017

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	47	ALA	0	0.032	0.027	3.706	4.898	6.619	-0.001	-0.807	-0.913	0.003
4	A	48	LYS	1	0.934	0.967	6.391	-30.964	-30.964	0.000	0.000	0.000	0.000
5	A	49	VAL	0	-0.034	-0.022	7.480	-2.922	-2.922	0.000	0.000	0.000	0.000
6	A	50	THR	0	-0.046	-0.014	10.846	-0.438	-0.438	0.000	0.000	0.000	0.000
7	A	51	ILE	0	-0.045	-0.019	13.989	-0.625	-0.625	0.000	0.000	0.000	0.000
8	A	52	ILE	0	0.013	0.005	17.434	-0.238	-0.238	0.000	0.000	0.000	0.000
9	A	53	TYR	0	-0.018	-0.013	20.534	-0.110	-0.110	0.000	0.000	0.000	0.000
10	A	54	ALA	0	0.011	-0.004	23.862	-0.026	-0.026	0.000	0.000	0.000	0.000
11	A	55	GLY	0	-0.004	0.004	26.879	-0.205	-0.205	0.000	0.000	0.000	0.000
12	A	56	LEU	0	-0.039	-0.028	30.281	-0.368	-0.368	0.000	0.000	0.000	0.000
13	A	57	LEU	0	0.002	0.011	24.978	0.293	0.293	0.000	0.000	0.000	0.000
14	A	58	ILE	0	0.051	0.010	29.114	-0.295	-0.295	0.000	0.000	0.000	0.000
15	A	59	PRO	0	0.033	0.019	27.678	0.380	0.380	0.000	0.000	0.000	0.000
16	A	60	GLY	0	0.066	0.016	27.986	0.387	0.387	0.000	0.000	0.000	0.000
17	A	61	ASP	-1	-0.940	-0.982	30.512	8.914	8.914	0.000	0.000	0.000	0.000
18	A	62	GLY	0	0.003	0.005	31.895	0.191	0.191	0.000	0.000	0.000	0.000
19	A	63	GLU	-1	-0.955	-0.991	33.886	8.361	8.361	0.000	0.000	0.000	0.000
20	A	64	PRO	0	-0.017	-0.009	32.397	0.325	0.325	0.000	0.000	0.000	0.000
21	A	65	LEU	0	-0.017	0.011	28.467	-0.182	-0.182	0.000	0.000	0.000	0.000
22	A	66	ARG	1	0.954	0.975	31.605	-8.667	-8.667	0.000	0.000	0.000	0.000
23	A	67	ASN	0	-0.067	-0.027	30.002	0.116	0.116	0.000	0.000	0.000	0.000
24	A	68	ALA	0	0.017	0.014	27.242	0.027	0.027	0.000	0.000	0.000	0.000
25	A	69	ALA	0	0.010	-0.005	22.207	0.149	0.149	0.000	0.000	0.000	0.000
26	A	70	LEU	0	0.003	0.017	18.767	-0.196	-0.196	0.000	0.000	0.000	0.000
27	A	71	VAL	0	-0.062	-0.034	15.107	0.342	0.342	0.000	0.000	0.000	0.000
28	A	72	ILE	0	0.028	0.016	12.829	-0.415	-0.415	0.000	0.000	0.000	0.000
29	A	73	SER	0	-0.003	-0.010	10.290	0.809	0.809	0.000	0.000	0.000	0.000
30	A	74	ASP	-1	-0.864	-0.935	6.799	39.248	39.248	0.000	0.000	0.000	0.000
31	A	75	LYS	1	0.975	0.984	9.609	-27.422	-27.422	0.000	0.000	0.000	0.000
32	A	76	ILE	0	-0.023	0.008	12.587	-1.683	-1.683	0.000	0.000	0.000	0.000
33	A	77	ILE	0	0.021	0.014	14.692	0.867	0.867	0.000	0.000	0.000	0.000
34	A	78	ALA	0	-0.020	-0.029	14.878	-0.309	-0.309	0.000	0.000	0.000	0.000
35	A	79	PHE	0	-0.005	-0.013	16.971	-0.437	-0.437	0.000	0.000	0.000	0.000
36	A	80	VAL	0	0.034	0.019	20.315	0.244	0.244	0.000	0.000	0.000	0.000
37	A	81	GLY	0	0.036	0.025	23.532	-0.295	-0.295	0.000	0.000	0.000	0.000
38	A	82	SER	0	0.011	0.007	26.345	0.165	0.165	0.000	0.000	0.000	0.000
39	A	83	GLU	-1	-0.802	-0.889	25.220	11.780	11.780	0.000	0.000	0.000	0.000
40	A	84	ALA	0	-0.055	-0.035	25.293	0.340	0.340	0.000	0.000	0.000	0.000
41	A	85	ASP	-1	-0.894	-0.941	26.298	10.734	10.734	0.000	0.000	0.000	0.000
42	A	86	ILE	0	-0.021	0.004	19.814	0.484	0.484	0.000	0.000	0.000	0.000
43	A	87	PRO	0	-0.017	-0.003	19.104	0.015	0.015	0.000	0.000	0.000	0.000
44	A	88	LYS	1	1.000	0.971	19.111	-11.645	-11.645	0.000	0.000	0.000	0.000
45	A	89	LYS	1	0.915	0.958	14.856	-17.492	-17.492	0.000	0.000	0.000	0.000
46	A	90	TYR	0	0.095	0.040	13.818	1.237	1.237	0.000	0.000	0.000	0.000
47	A	91	LEU	0	-0.002	0.005	14.952	0.545	0.545	0.000	0.000	0.000	0.000
48	A	92	ARG	1	0.889	0.946	14.044	-16.240	-16.240	0.000	0.000	0.000	0.000
49	A	93	SER	0	0.001	-0.005	10.095	0.396	0.396	0.000	0.000	0.000	0.000
50	A	94	THR	0	-0.013	0.012	10.293	1.985	1.985	0.000	0.000	0.000	0.000
51	A	95	GLN	0	0.082	0.046	6.493	-2.284	-2.284	0.000	0.000	0.000	0.000
52	A	96	SER	0	-0.044	-0.015	11.323	-1.199	-1.199	0.000	0.000	0.000	0.000
53	A	97	THR	0	-0.021	-0.011	14.385	0.033	0.033	0.000	0.000	0.000	0.000
54	A	98	HIS	0	0.046	0.023	16.634	-1.016	-1.016	0.000	0.000	0.000	0.000
55	A	99	ARG	1	0.820	0.886	20.800	-11.636	-11.636	0.000	0.000	0.000	0.000
56	A	100	VAL	0	-0.027	-0.008	24.118	-0.171	-0.171	0.000	0.000	0.000	0.000
57	A	101	PRO	0	0.039	0.019	26.695	-0.017	-0.017	0.000	0.000	0.000	0.000
58	A	102	VAL	0	0.006	0.006	29.286	-0.169	-0.169	0.000	0.000	0.000	0.000
59	A	103	LEU	0	-0.017	-0.006	22.539	0.358	0.358	0.000	0.000	0.000	0.000
60	A	104	MET	0	0.013	0.009	26.200	-0.499	-0.499	0.000	0.000	0.000	0.000
61	A	105	PRO	0	-0.007	-0.002	24.731	0.513	0.513	0.000	0.000	0.000	0.000
62	A	106	GLY	0	0.004	0.009	24.177	-0.303	-0.303	0.000	0.000	0.000	0.000
63	A	107	LEU	0	-0.010	-0.005	25.349	-0.215	-0.215	0.000	0.000	0.000	0.000
64	A	108	TRP	0	0.002	-0.017	25.890	0.197	0.197	0.000	0.000	0.000	0.000
65	A	109	ASP	-1	-0.781	-0.879	30.006	8.623	8.623	0.000	0.000	0.000	0.000
66	A	110	CYS	0	-0.045	-0.042	32.424	0.222	0.222	0.000	0.000	0.000	0.000
67	A	111	HIS	0	-0.055	-0.020	34.179	-0.156	-0.156	0.000	0.000	0.000	0.000
68	A	112	MET	0	-0.021	0.036	32.826	-0.110	-0.110	0.000	0.000	0.000	0.000
69	A	113	HIS	0	0.029	0.014	35.844	0.020	0.020	0.000	0.000	0.000	0.000
70	A	114	PHE	0	-0.016	-0.016	29.569	0.102	0.102	0.000	0.000	0.000	0.000
71	A	115	GLY	0	0.089	0.036	35.188	0.040	0.040	0.000	0.000	0.000	0.000
72	A	116	GLY	0	-0.045	-0.031	37.289	-0.006	-0.006	0.000	0.000	0.000	0.000
73	A	117	ASP	-1	-0.801	-0.876	38.061	7.694	7.694	0.000	0.000	0.000	0.000
74	A	118	ASP	-1	-0.867	-0.944	41.812	7.573	7.573	0.000	0.000	0.000	0.000
75	A	119	ASP	-1	-0.942	-0.983	43.983	6.851	6.851	0.000	0.000	0.000	0.000
76	A	120	TYR	0	-0.082	-0.030	46.277	-0.139	-0.139	0.000	0.000	0.000	0.000
77	A	121	TYR	0	-0.029	-0.013	48.788	-0.188	-0.188	0.000	0.000	0.000	0.000
78	A	122	ASN	0	0.049	0.011	48.697	0.181	0.181	0.000	0.000	0.000	0.000
79	A	123	ASP	-1	-0.826	-0.867	49.394	6.314	6.314	0.000	0.000	0.000	0.000
80	A	124	TYR	0	0.040	0.005	45.543	0.163	0.163	0.000	0.000	0.000	0.000
81	A	125	THR	0	-0.077	-0.068	47.249	0.101	0.101	0.000	0.000	0.000	0.000
82	A	126	SER	0	-0.049	-0.039	45.099	-0.011	-0.011	0.000	0.000	0.000	0.000
83	A	127	GLY	0	0.051	0.034	43.129	0.138	0.138	0.000	0.000	0.000	0.000
84	A	128	LEU	0	-0.082	-0.037	43.394	0.122	0.122	0.000	0.000	0.000	0.000
85	A	129	ALA	0	-0.033	-0.018	45.718	0.031	0.031	0.000	0.000	0.000	0.000
86	A	130	THR	0	-0.039	-0.002	41.085	0.002	0.002	0.000	0.000	0.000	0.000
87	A	131	HIS	0	0.020	0.015	39.311	0.205	0.205	0.000	0.000	0.000	0.000
88	A	132	PRO	0	0.052	0.007	37.408	0.143	0.143	0.000	0.000	0.000	0.000
89	A	133	ALA	0	-0.012	0.000	35.809	0.266	0.266	0.000	0.000	0.000	0.000
90	A	134	SER	0	0.007	-0.002	36.060	0.240	0.240	0.000	0.000	0.000	0.000
91	A	135	SER	0	0.013	0.016	37.039	0.113	0.113	0.000	0.000	0.000	0.000
92	A	136	GLY	0	-0.002	-0.005	33.211	0.184	0.184	0.000	0.000	0.000	0.000
93	A	137	ALA	0	-0.013	-0.006	32.274	0.310	0.310	0.000	0.000	0.000	0.000
94	A	138	ARG	1	0.793	0.877	32.966	-7.742	-7.742	0.000	0.000	0.000	0.000
95	A	139	LEU	0	-0.006	-0.007	31.959	0.134	0.134	0.000	0.000	0.000	0.000
96	A	140	ALA	0	0.007	0.022	28.783	0.324	0.324	0.000	0.000	0.000	0.000
97	A	141	ARG	1	0.860	0.923	29.177	-9.188	-9.188	0.000	0.000	0.000	0.000
98	A	142	GLY	0	0.051	0.026	31.009	0.107	0.107	0.000	0.000	0.000	0.000
99	A	143	CYS	0	-0.015	-0.016	26.831	0.114	0.114	0.000	0.000	0.000	0.000
100	A	144	TRP	0	-0.043	-0.017	25.477	0.232	0.232	0.000	0.000	0.000	0.000
101	A	145	GLU	-1	-0.803	-0.919	27.453	10.030	10.030	0.000	0.000	0.000	0.000
102	A	146	ALA	0	-0.020	0.004	28.358	-0.034	-0.034	0.000	0.000	0.000	0.000
103	A	147	LEU	0	-0.016	0.002	21.659	0.083	0.083	0.000	0.000	0.000	0.000
104	A	148	GLN	0	-0.029	-0.014	25.169	-0.072	-0.072	0.000	0.000	0.000	0.000
105	A	149	ASN	0	-0.005	-0.019	27.609	-0.365	-0.365	0.000	0.000	0.000	0.000
106	A	150	GLY	0	0.013	0.015	26.234	-0.181	-0.181	0.000	0.000	0.000	0.000
107	A	151	TYR	0	0.020	0.011	27.266	0.002	0.002	0.000	0.000	0.000	0.000
108	A	152	THR	0	0.036	0.010	22.600	0.076	0.076	0.000	0.000	0.000	0.000
109	A	153	SER	0	-0.046	-0.017	23.880	0.619	0.619	0.000	0.000	0.000	0.000
110	A	154	TYR	0	0.044	0.035	26.477	-0.341	-0.341	0.000	0.000	0.000	0.000
111	A	155	ARG	1	0.783	0.871	29.074	-8.614	-8.614	0.000	0.000	0.000	0.000
112	A	156	ASP	-1	-0.777	-0.883	31.719	9.102	9.102	0.000	0.000	0.000	0.000
113	A	157	LEU	0	-0.060	-0.043	33.572	0.015	0.015	0.000	0.000	0.000	0.000
114	A	158	ALA	0	0.050	0.007	36.680	-0.259	-0.259	0.000	0.000	0.000	0.000
115	A	159	GLY	0	-0.010	0.013	36.756	-0.064	-0.064	0.000	0.000	0.000	0.000
116	A	160	TYR	0	-0.008	-0.012	33.608	0.090	0.090	0.000	0.000	0.000	0.000
117	A	161	GLY	0	0.030	0.019	30.712	0.342	0.342	0.000	0.000	0.000	0.000
118	A	162	CYS	0	-0.063	-0.021	28.981	0.463	0.463	0.000	0.000	0.000	0.000
119	A	163	GLU	-1	-0.828	-0.908	28.321	10.147	10.147	0.000	0.000	0.000	0.000
120	A	164	VAL	0	0.027	0.006	27.919	0.298	0.298	0.000	0.000	0.000	0.000
121	A	165	ALA	0	0.024	0.012	24.810	0.484	0.484	0.000	0.000	0.000	0.000
122	A	166	LYS	1	0.898	0.950	23.568	-10.807	-10.807	0.000	0.000	0.000	0.000
123	A	167	ALA	0	0.044	0.033	23.044	0.507	0.507	0.000	0.000	0.000	0.000
124	A	168	ILE	0	-0.034	-0.005	21.020	0.398	0.398	0.000	0.000	0.000	0.000
125	A	169	ASN	0	-0.062	-0.051	19.186	1.002	1.002	0.000	0.000	0.000	0.000
126	A	170	ASP	-1	-0.902	-0.905	18.026	15.599	15.599	0.000	0.000	0.000	0.000
127	A	171	GLY	0	-0.024	-0.011	18.011	0.605	0.605	0.000	0.000	0.000	0.000
128	A	172	THR	0	-0.087	-0.061	18.901	-0.095	-0.095	0.000	0.000	0.000	0.000
129	A	173	ILE	0	-0.044	-0.026	22.264	-0.525	-0.525	0.000	0.000	0.000	0.000
130	A	174	VAL	0	0.005	-0.001	20.253	0.687	0.687	0.000	0.000	0.000	0.000
131	A	175	GLY	0	0.011	-0.010	22.190	-0.674	-0.674	0.000	0.000	0.000	0.000
132	A	176	PRO	0	-0.016	0.004	22.558	0.802	0.802	0.000	0.000	0.000	0.000
133	A	177	ASN	0	-0.064	-0.029	20.572	0.546	0.546	0.000	0.000	0.000	0.000
134	A	178	VAL	0	0.008	0.009	23.569	-0.546	-0.546	0.000	0.000	0.000	0.000
135	A	179	TYR	0	-0.034	-0.012	23.853	0.254	0.254	0.000	0.000	0.000	0.000
136	A	180	SER	0	-0.002	-0.019	28.542	-0.339	-0.339	0.000	0.000	0.000	0.000
137	A	181	SER	0	0.047	0.007	31.496	0.126	0.126	0.000	0.000	0.000	0.000
138	A	182	GLY	0	-0.058	-0.017	34.065	-0.139	-0.139	0.000	0.000	0.000	0.000
139	A	183	ALA	0	-0.020	-0.001	35.436	-0.066	-0.066	0.000	0.000	0.000	0.000
140	A	184	ALA	0	0.020	0.018	39.179	0.044	0.044	0.000	0.000	0.000	0.000
141	A	185	LEU	0	-0.057	-0.038	40.988	-0.125	-0.125	0.000	0.000	0.000	0.000
142	A	186	SER	0	0.026	-0.003	43.840	-0.040	-0.040	0.000	0.000	0.000	0.000
143	A	187	GLN	0	0.031	0.034	47.428	0.041	0.041	0.000	0.000	0.000	0.000
144	A	188	THR	0	-0.006	-0.095	50.811	0.044	0.044	0.000	0.000	0.000	0.000
145	A	189	ALA	0	-0.076	-0.026	53.255	-0.080	-0.080	0.000	0.000	0.000	0.000
146	A	190	GLY	0	0.003	-0.001	51.305	-0.056	-0.056	0.000	0.000	0.000	0.000
147	A	191	HIS	0	-0.014	-0.030	47.022	-0.084	-0.084	0.000	0.000	0.000	0.000
148	A	192	GLY	0	-0.015	-0.014	47.041	0.065	0.065	0.000	0.000	0.000	0.000
149	A	193	ASP	-1	-0.830	-0.908	47.725	6.228	6.228	0.000	0.000	0.000	0.000
150	A	194	ILE	0	-0.038	-0.026	47.777	0.012	0.012	0.000	0.000	0.000	0.000
151	A	195	PHE	0	0.011	-0.008	51.690	-0.093	-0.093	0.000	0.000	0.000	0.000
152	A	196	ALA	0	0.000	0.012	54.717	-0.109	-0.109	0.000	0.000	0.000	0.000
153	A	197	LEU	0	-0.058	-0.019	51.537	-0.071	-0.071	0.000	0.000	0.000	0.000
154	A	198	PRO	0	0.009	0.011	55.535	-0.043	-0.043	0.000	0.000	0.000	0.000
155	A	199	ALA	0	0.080	0.021	55.438	0.096	0.096	0.000	0.000	0.000	0.000
156	A	200	GLY	0	-0.026	-0.006	54.447	0.096	0.096	0.000	0.000	0.000	0.000
157	A	201	GLU	-1	-0.885	-0.953	52.857	5.882	5.882	0.000	0.000	0.000	0.000
158	A	202	VAL	0	0.018	0.020	49.687	0.185	0.185	0.000	0.000	0.000	0.000
159	A	203	LEU	0	0.031	0.004	49.437	0.166	0.166	0.000	0.000	0.000	0.000
160	A	204	GLY	0	-0.033	-0.004	49.803	0.098	0.098	0.000	0.000	0.000	0.000
161	A	205	SER	0	-0.045	-0.018	46.560	0.180	0.180	0.000	0.000	0.000	0.000
162	A	206	TYR	0	-0.008	-0.019	43.358	0.262	0.262	0.000	0.000	0.000	0.000
163	A	207	GLY	0	0.051	0.053	45.958	0.060	0.060	0.000	0.000	0.000	0.000
164	A	208	VAL	0	-0.035	-0.016	44.525	0.151	0.151	0.000	0.000	0.000	0.000
165	A	209	MET	0	0.024	0.008	46.615	0.078	0.078	0.000	0.000	0.000	0.000
166	A	210	ASN	0	-0.033	-0.024	48.653	0.056	0.056	0.000	0.000	0.000	0.000
167	A	211	PRO	0	0.021	0.014	45.262	0.060	0.060	0.000	0.000	0.000	0.000
168	A	212	ARG	1	0.838	0.930	44.493	-7.214	-7.214	0.000	0.000	0.000	0.000
169	A	213	PRO	0	0.020	-0.002	43.589	0.194	0.194	0.000	0.000	0.000	0.000
170	A	214	GLY	0	0.026	0.012	42.463	-0.116	-0.116	0.000	0.000	0.000	0.000
171	A	215	TYR	0	-0.023	-0.020	36.368	-0.043	-0.043	0.000	0.000	0.000	0.000
172	A	216	TRP	0	0.028	0.021	39.930	0.152	0.152	0.000	0.000	0.000	0.000
173	A	217	GLY	0	0.006	0.000	40.232	0.171	0.171	0.000	0.000	0.000	0.000
174	A	218	ALA	0	-0.041	-0.021	36.457	0.180	0.180	0.000	0.000	0.000	0.000
175	A	219	GLY	0	0.076	0.041	38.264	0.055	0.055	0.000	0.000	0.000	0.000
176	A	220	PRO	0	0.032	0.008	39.126	0.175	0.175	0.000	0.000	0.000	0.000
177	A	221	LEU	0	0.010	0.015	40.179	0.017	0.017	0.000	0.000	0.000	0.000
178	A	222	CYS	0	-0.102	-0.038	42.121	0.040	0.040	0.000	0.000	0.000	0.000
179	A	223	ILE	0	0.045	0.018	44.080	-0.012	-0.012	0.000	0.000	0.000	0.000
180	A	224	ALA	0	-0.047	-0.035	46.723	0.031	0.031	0.000	0.000	0.000	0.000
181	A	225	ASP	-1	-0.757	-0.804	48.705	6.129	6.129	0.000	0.000	0.000	0.000
182	A	226	GLY	0	0.015	0.006	51.967	-0.051	-0.051	0.000	0.000	0.000	0.000
183	A	227	VAL	0	0.007	-0.025	49.382	0.141	0.141	0.000	0.000	0.000	0.000
184	A	228	GLU	-1	-0.968	-0.993	48.562	6.533	6.533	0.000	0.000	0.000	0.000
185	A	229	GLU	-1	-0.859	-0.933	47.786	6.547	6.547	0.000	0.000	0.000	0.000
186	A	230	VAL	0	0.052	0.021	45.957	0.211	0.211	0.000	0.000	0.000	0.000
187	A	231	ARG	1	0.913	0.954	43.810	-6.750	-6.750	0.000	0.000	0.000	0.000
188	A	232	ARG	1	0.827	0.920	42.333	-6.830	-6.830	0.000	0.000	0.000	0.000
189	A	233	ALA	0	0.072	0.037	41.701	0.208	0.208	0.000	0.000	0.000	0.000
190	A	234	VAL	0	0.022	0.017	38.300	0.212	0.212	0.000	0.000	0.000	0.000
191	A	235	ARG	1	0.804	0.876	37.884	-7.443	-7.443	0.000	0.000	0.000	0.000
192	A	236	LEU	0	-0.030	-0.015	37.024	0.276	0.276	0.000	0.000	0.000	0.000
193	A	237	GLN	0	0.080	0.055	35.956	0.372	0.372	0.000	0.000	0.000	0.000
194	A	238	ILE	0	0.011	0.004	32.395	0.359	0.359	0.000	0.000	0.000	0.000
195	A	239	ARG	1	0.907	0.968	32.119	-8.688	-8.688	0.000	0.000	0.000	0.000
196	A	240	ARG	1	0.729	0.851	32.043	-8.747	-8.747	0.000	0.000	0.000	0.000
197	A	241	GLY	0	-0.035	-0.014	28.792	0.347	0.347	0.000	0.000	0.000	0.000
198	A	242	ALA	0	-0.018	-0.006	29.122	0.258	0.258	0.000	0.000	0.000	0.000
199	A	243	LYS	1	0.909	0.948	23.364	-12.865	-12.865	0.000	0.000	0.000	0.000
200	A	244	VAL	0	0.006	0.005	30.313	-0.003	-0.003	0.000	0.000	0.000	0.000
201	A	245	ILE	0	-0.003	0.009	33.675	-0.022	-0.022	0.000	0.000	0.000	0.000
202	A	246	LYS	1	0.934	0.989	37.280	-7.816	-7.816	0.000	0.000	0.000	0.000
203	A	247	VAL	0	-0.007	0.002	39.739	-0.066	-0.066	0.000	0.000	0.000	0.000
204	A	248	MET	0	0.005	-0.004	43.539	0.048	0.048	0.000	0.000	0.000	0.000
205	A	249	ALA	0	0.004	0.002	46.486	-0.082	-0.082	0.000	0.000	0.000	0.000
206	A	250	SER	0	-0.034	-0.045	48.781	-0.092	-0.092	0.000	0.000	0.000	0.000
207	A	251	GLY	0	0.026	0.043	50.726	0.087	0.087	0.000	0.000	0.000	0.000
208	A	252	GLY	0	-0.037	-0.052	51.111	0.090	0.090	0.000	0.000	0.000	0.000
209	A	253	VAL	0	-0.063	-0.028	52.072	0.028	0.028	0.000	0.000	0.000	0.000
210	A	254	MET	0	0.062	0.055	49.002	-0.037	-0.037	0.000	0.000	0.000	0.000
211	A	255	SER	0	-0.007	-0.008	54.448	-0.035	-0.035	0.000	0.000	0.000	0.000
212	A	256	ARG	1	0.808	0.834	58.240	-4.998	-4.998	0.000	0.000	0.000	0.000
213	A	257	ASP	-1	-0.858	-0.865	60.798	5.208	5.208	0.000	0.000	0.000	0.000
214	A	258	ASP	-1	-0.758	-0.868	54.706	5.967	5.967	0.000	0.000	0.000	0.000
215	A	259	ASN	0	-0.037	-0.022	57.503	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	260	PRO	0	0.034	0.023	53.988	0.051	0.051	0.000	0.000	0.000	0.000
217	A	261	ASN	0	-0.040	-0.045	54.438	0.109	0.109	0.000	0.000	0.000	0.000
218	A	262	PHE	0	-0.052	-0.017	56.778	-0.029	-0.029	0.000	0.000	0.000	0.000
219	A	263	ALA	0	0.024	0.004	53.392	0.103	0.103	0.000	0.000	0.000	0.000
220	A	264	GLN	0	0.009	0.021	50.845	0.030	0.030	0.000	0.000	0.000	0.000
221	A	265	PHE	0	-0.021	-0.008	46.777	0.139	0.139	0.000	0.000	0.000	0.000
222	A	266	SER	0	-0.027	-0.031	51.719	-0.072	-0.072	0.000	0.000	0.000	0.000
223	A	267	PRO	0	0.032	-0.013	51.480	0.142	0.142	0.000	0.000	0.000	0.000
224	A	268	GLU	-1	-0.904	-0.957	50.774	5.941	5.941	0.000	0.000	0.000	0.000
225	A	269	GLU	-1	-0.801	-0.870	49.139	6.346	6.346	0.000	0.000	0.000	0.000
226	A	270	LEU	0	0.008	0.010	46.756	0.202	0.202	0.000	0.000	0.000	0.000
227	A	271	LYS	1	0.907	0.955	45.811	-6.410	-6.410	0.000	0.000	0.000	0.000
228	A	272	VAL	0	-0.022	-0.009	45.526	0.169	0.169	0.000	0.000	0.000	0.000
229	A	273	ILE	0	0.021	0.004	42.064	0.215	0.215	0.000	0.000	0.000	0.000
230	A	274	VAL	0	0.002	0.000	41.260	0.266	0.266	0.000	0.000	0.000	0.000
231	A	275	GLU	-1	-0.903	-0.953	40.480	7.197	7.197	0.000	0.000	0.000	0.000
232	A	276	GLU	-1	-0.808	-0.887	40.359	7.911	7.911	0.000	0.000	0.000	0.000
233	A	277	ALA	0	0.020	0.017	37.036	0.244	0.244	0.000	0.000	0.000	0.000
234	A	278	ALA	0	0.023	0.012	35.894	0.312	0.312	0.000	0.000	0.000	0.000
235	A	279	ARG	1	0.845	0.942	36.102	-7.756	-7.756	0.000	0.000	0.000	0.000
236	A	280	GLN	0	-0.035	-0.015	32.433	0.019	0.019	0.000	0.000	0.000	0.000
237	A	281	ASN	0	0.013	0.008	29.539	0.126	0.126	0.000	0.000	0.000	0.000
238	A	282	ARG	1	0.787	0.889	29.290	-10.105	-10.105	0.000	0.000	0.000	0.000
239	A	283	ILE	0	0.003	0.009	33.761	-0.243	-0.243	0.000	0.000	0.000	0.000
240	A	284	VAL	0	0.028	-0.002	36.324	0.115	0.115	0.000	0.000	0.000	0.000
241	A	285	SER	0	-0.056	-0.081	37.769	-0.006	-0.006	0.000	0.000	0.000	0.000
242	A	286	ALA	0	0.007	-0.008	39.822	-0.051	-0.051	0.000	0.000	0.000	0.000
243	A	287	HIS	0	-0.009	0.001	43.460	0.164	0.164	0.000	0.000	0.000	0.000
244	A	288	VAL	0	-0.025	-0.009	45.149	-0.141	-0.141	0.000	0.000	0.000	0.000
245	A	289	HIS	0	0.111	0.091	48.241	-0.005	-0.005	0.000	0.000	0.000	0.000
246	A	290	GLY	0	0.026	0.012	51.040	-0.044	-0.044	0.000	0.000	0.000	0.000
247	A	291	LYS	1	0.857	0.918	52.901	-5.615	-5.615	0.000	0.000	0.000	0.000
248	A	292	ALA	0	0.001	-0.001	53.798	0.055	0.055	0.000	0.000	0.000	0.000
249	A	293	GLY	0	0.054	0.025	51.856	0.034	0.034	0.000	0.000	0.000	0.000
250	A	294	ILE	0	0.007	0.006	48.902	0.116	0.116	0.000	0.000	0.000	0.000
251	A	295	MET	0	-0.009	-0.014	49.355	0.148	0.148	0.000	0.000	0.000	0.000
252	A	296	ALA	0	-0.024	0.003	51.189	0.032	0.032	0.000	0.000	0.000	0.000
253	A	297	ALA	0	0.053	0.013	45.877	0.081	0.081	0.000	0.000	0.000	0.000
254	A	298	ILE	0	0.022	0.009	46.211	0.144	0.144	0.000	0.000	0.000	0.000
255	A	299	LYS	1	0.870	0.941	46.967	-5.991	-5.991	0.000	0.000	0.000	0.000
256	A	300	ALA	0	-0.029	-0.015	46.754	0.004	0.004	0.000	0.000	0.000	0.000
257	A	301	GLY	0	-0.014	-0.001	43.920	0.079	0.079	0.000	0.000	0.000	0.000
258	A	302	CYS	0	-0.078	-0.023	41.638	0.223	0.223	0.000	0.000	0.000	0.000
259	A	303	LYS	1	0.886	0.948	38.111	-8.110	-8.110	0.000	0.000	0.000	0.000
260	A	304	SER	0	0.002	0.005	37.730	0.219	0.219	0.000	0.000	0.000	0.000
261	A	305	LEU	0	-0.031	0.006	39.863	-0.120	-0.120	0.000	0.000	0.000	0.000
262	A	306	GLU	-1	-0.714	-0.820	39.641	8.138	8.138	0.000	0.000	0.000	0.000
263	A	307	HIS	0	-0.018	-0.002	43.007	-0.228	-0.228	0.000	0.000	0.000	0.000
264	A	308	VAL	0	-0.033	-0.025	45.044	-0.081	-0.081	0.000	0.000	0.000	0.000
265	A	309	SER	0	0.019	-0.038	47.872	-0.054	-0.054	0.000	0.000	0.000	0.000
266	A	310	TYR	0	-0.051	-0.026	50.800	-0.098	-0.098	0.000	0.000	0.000	0.000
267	A	311	ALA	0	-0.043	-0.017	49.548	-0.071	-0.071	0.000	0.000	0.000	0.000
268	A	312	ASP	-1	-0.801	-0.919	51.638	5.761	5.761	0.000	0.000	0.000	0.000
269	A	313	GLU	-1	-0.911	-0.984	52.517	5.844	5.844	0.000	0.000	0.000	0.000
270	A	314	GLU	-1	-0.859	-0.906	52.732	5.801	5.801	0.000	0.000	0.000	0.000
271	A	315	VAL	0	-0.032	-0.012	48.823	0.097	0.097	0.000	0.000	0.000	0.000
272	A	316	TRP	0	-0.008	0.011	48.213	0.105	0.105	0.000	0.000	0.000	0.000
273	A	317	GLU	-1	-0.790	-0.911	47.797	6.540	6.540	0.000	0.000	0.000	0.000
274	A	318	LEU	0	-0.029	-0.010	48.565	0.123	0.123	0.000	0.000	0.000	0.000
275	A	319	MET	0	-0.072	-0.021	43.639	0.086	0.086	0.000	0.000	0.000	0.000
276	A	320	LYS	1	0.845	0.939	43.680	-6.473	-6.473	0.000	0.000	0.000	0.000
277	A	321	GLU	-1	-0.978	-0.966	43.937	6.575	6.575	0.000	0.000	0.000	0.000
278	A	322	LYS	1	0.902	0.934	44.043	-6.659	-6.659	0.000	0.000	0.000	0.000
279	A	323	GLY	0	-0.024	-0.005	40.169	0.175	0.175	0.000	0.000	0.000	0.000
280	A	324	ILE	0	-0.106	-0.051	39.442	0.211	0.211	0.000	0.000	0.000	0.000
281	A	325	LEU	0	-0.004	0.004	35.498	-0.075	-0.075	0.000	0.000	0.000	0.000
282	A	326	TYR	0	0.044	0.005	39.473	-0.123	-0.123	0.000	0.000	0.000	0.000
283	A	327	VAL	0	0.006	-0.006	37.733	0.125	0.125	0.000	0.000	0.000	0.000
284	A	328	ALA	0	0.052	0.023	40.642	-0.109	-0.109	0.000	0.000	0.000	0.000
285	A	329	THR	0	0.010	0.017	41.216	-0.059	-0.059	0.000	0.000	0.000	0.000
286	A	330	ARG	1	0.780	0.879	42.654	-6.629	-6.629	0.000	0.000	0.000	0.000
287	A	331	SER	0	-0.011	-0.044	41.936	-0.144	-0.144	0.000	0.000	0.000	0.000
288	A	332	VAL	0	0.017	0.020	43.682	-0.116	-0.116	0.000	0.000	0.000	0.000
289	A	333	ILE	0	-0.040	-0.017	46.035	-0.155	-0.155	0.000	0.000	0.000	0.000
290	A	334	GLU	-1	-0.850	-0.947	47.116	6.315	6.315	0.000	0.000	0.000	0.000
291	A	335	ILE	0	0.004	0.019	44.752	-0.113	-0.113	0.000	0.000	0.000	0.000
292	A	336	PHE	0	0.028	0.005	49.028	-0.119	-0.119	0.000	0.000	0.000	0.000
293	A	337	LEU	0	-0.062	-0.034	51.911	-0.181	-0.181	0.000	0.000	0.000	0.000
294	A	338	ALA	0	-0.025	-0.016	51.259	-0.125	-0.125	0.000	0.000	0.000	0.000
295	A	339	SER	0	-0.003	0.006	52.905	-0.034	-0.034	0.000	0.000	0.000	0.000
296	A	340	ASN	0	-0.044	-0.031	55.093	-0.158	-0.158	0.000	0.000	0.000	0.000
297	A	341	GLY	0	-0.002	0.012	58.008	-0.095	-0.095	0.000	0.000	0.000	0.000
298	A	342	GLU	-1	-0.953	-0.962	56.729	5.507	5.507	0.000	0.000	0.000	0.000
299	A	343	GLY	0	-0.044	-0.032	59.696	0.050	0.050	0.000	0.000	0.000	0.000
300	A	344	LEU	0	0.037	0.022	57.777	0.056	0.056	0.000	0.000	0.000	0.000
301	A	345	VAL	0	-0.046	-0.014	62.093	-0.084	-0.084	0.000	0.000	0.000	0.000
302	A	346	LYS	1	1.023	0.986	64.049	-4.538	-4.538	0.000	0.000	0.000	0.000
303	A	347	GLU	-1	-0.886	-0.953	64.907	4.762	4.762	0.000	0.000	0.000	0.000
304	A	348	SER	0	-0.093	-0.055	61.174	0.061	0.061	0.000	0.000	0.000	0.000
305	A	349	TRP	0	0.066	0.055	56.603	0.103	0.103	0.000	0.000	0.000	0.000
306	A	350	ALA	0	0.027	0.008	60.331	0.055	0.055	0.000	0.000	0.000	0.000
307	A	351	LYS	1	0.902	0.949	59.861	-5.077	-5.077	0.000	0.000	0.000	0.000
308	A	352	LEU	0	0.058	0.038	54.552	0.047	0.047	0.000	0.000	0.000	0.000
309	A	353	GLN	0	0.023	0.019	56.047	0.039	0.039	0.000	0.000	0.000	0.000
310	A	354	ALA	0	0.025	0.029	57.452	0.050	0.050	0.000	0.000	0.000	0.000
311	A	355	LEU	0	-0.001	0.009	52.170	0.030	0.030	0.000	0.000	0.000	0.000
312	A	356	ALA	0	0.027	0.012	52.920	0.110	0.110	0.000	0.000	0.000	0.000
313	A	357	ASP	-1	-0.909	-0.961	53.350	5.663	5.663	0.000	0.000	0.000	0.000
314	A	358	SER	0	-0.117	-0.064	54.879	0.007	0.007	0.000	0.000	0.000	0.000
315	A	359	HIS	0	0.000	-0.006	46.435	-0.040	-0.040	0.000	0.000	0.000	0.000
316	A	360	LEU	0	-0.028	0.001	50.102	0.123	0.123	0.000	0.000	0.000	0.000
317	A	361	LYS	1	0.964	0.967	51.033	-5.421	-5.421	0.000	0.000	0.000	0.000
318	A	362	ALA	0	0.000	0.021	50.304	0.032	0.032	0.000	0.000	0.000	0.000
319	A	363	TYR	0	0.034	0.016	41.703	0.087	0.087	0.000	0.000	0.000	0.000
320	A	364	GLN	0	-0.033	-0.034	47.401	-0.013	-0.013	0.000	0.000	0.000	0.000
321	A	365	GLY	0	-0.030	-0.020	49.596	0.014	0.014	0.000	0.000	0.000	0.000
322	A	366	ALA	0	0.016	0.014	46.024	0.017	0.017	0.000	0.000	0.000	0.000
323	A	367	ILE	0	0.007	0.009	43.997	0.106	0.106	0.000	0.000	0.000	0.000
324	A	368	LYS	1	0.918	0.968	45.960	-6.024	-6.024	0.000	0.000	0.000	0.000
325	A	369	ALA	0	-0.022	-0.007	48.668	-0.012	-0.012	0.000	0.000	0.000	0.000
326	A	370	GLY	0	0.015	0.012	44.546	0.012	0.012	0.000	0.000	0.000	0.000
327	A	371	VAL	0	-0.045	-0.022	43.033	0.108	0.108	0.000	0.000	0.000	0.000
328	A	372	THR	0	-0.013	-0.001	37.246	0.042	0.042	0.000	0.000	0.000	0.000
329	A	373	ILE	0	-0.003	0.000	39.305	-0.021	-0.021	0.000	0.000	0.000	0.000
330	A	374	ALA	0	0.010	0.017	34.986	0.241	0.241	0.000	0.000	0.000	0.000
331	A	375	LEU	0	-0.012	-0.002	35.707	-0.270	-0.270	0.000	0.000	0.000	0.000
332	A	376	GLY	0	0.029	0.001	35.613	0.317	0.317	0.000	0.000	0.000	0.000
333	A	377	THR	0	-0.031	-0.025	37.113	-0.223	-0.223	0.000	0.000	0.000	0.000
334	A	378	ASP	-1	-0.899	-0.951	38.850	7.483	7.483	0.000	0.000	0.000	0.000
335	A	379	THR	0	-0.004	-0.008	37.588	-0.082	-0.082	0.000	0.000	0.000	0.000
336	A	380	ALA	0	0.067	0.034	36.930	0.178	0.178	0.000	0.000	0.000	0.000
337	A	381	PRO	0	-0.020	-0.034	31.453	0.063	0.063	0.000	0.000	0.000	0.000
338	A	382	GLY	0	-0.034	-0.019	32.751	-0.097	-0.097	0.000	0.000	0.000	0.000
339	A	383	GLY	0	-0.010	0.012	33.656	-0.167	-0.167	0.000	0.000	0.000	0.000
340	A	384	PRO	0	0.007	0.012	35.777	0.225	0.225	0.000	0.000	0.000	0.000
341	A	385	THR	0	0.010	-0.012	33.078	-0.168	-0.168	0.000	0.000	0.000	0.000
342	A	386	ALA	0	0.027	0.015	35.225	-0.106	-0.106	0.000	0.000	0.000	0.000
343	A	387	LEU	0	0.015	0.005	36.631	-0.110	-0.110	0.000	0.000	0.000	0.000
344	A	388	GLU	-1	-0.764	-0.859	38.269	7.441	7.441	0.000	0.000	0.000	0.000
345	A	389	LEU	0	-0.049	-0.020	34.573	-0.098	-0.098	0.000	0.000	0.000	0.000
346	A	390	GLN	0	0.036	0.025	39.028	-0.031	-0.031	0.000	0.000	0.000	0.000
347	A	391	PHE	0	-0.001	-0.005	42.203	-0.211	-0.211	0.000	0.000	0.000	0.000
348	A	392	ALA	0	0.041	0.017	40.820	-0.169	-0.169	0.000	0.000	0.000	0.000
349	A	393	VAL	0	-0.033	-0.007	41.434	-0.107	-0.107	0.000	0.000	0.000	0.000
350	A	394	GLU	-1	-0.958	-0.993	44.112	6.709	6.709	0.000	0.000	0.000	0.000
351	A	395	ARG	1	0.870	0.953	46.680	-6.525	-6.525	0.000	0.000	0.000	0.000
352	A	396	GLY	0	0.005	-0.014	45.805	-0.137	-0.137	0.000	0.000	0.000	0.000
353	A	397	GLY	0	-0.011	-0.002	46.643	-0.112	-0.112	0.000	0.000	0.000	0.000
354	A	398	MET	0	-0.044	-0.002	40.283	0.074	0.074	0.000	0.000	0.000	0.000
355	A	399	THR	0	0.010	0.008	41.409	0.024	0.024	0.000	0.000	0.000	0.000
356	A	400	PRO	0	0.045	0.004	39.627	0.143	0.143	0.000	0.000	0.000	0.000
357	A	401	LEU	0	0.024	0.009	35.164	0.229	0.229	0.000	0.000	0.000	0.000
358	A	402	GLU	-1	-0.878	-0.947	36.547	7.691	7.691	0.000	0.000	0.000	0.000
359	A	403	ALA	0	0.023	0.010	37.717	0.134	0.134	0.000	0.000	0.000	0.000
360	A	404	ILE	0	0.025	0.000	32.144	0.194	0.194	0.000	0.000	0.000	0.000
361	A	405	LYS	1	0.932	1.015	33.071	-8.506	-8.506	0.000	0.000	0.000	0.000
362	A	406	ALA	0	-0.046	-0.021	33.596	0.213	0.213	0.000	0.000	0.000	0.000
363	A	407	ALA	0	0.006	0.006	32.873	0.065	0.065	0.000	0.000	0.000	0.000
364	A	408	THR	0	-0.029	-0.039	28.814	0.364	0.364	0.000	0.000	0.000	0.000
365	A	409	ALA	0	-0.003	-0.005	29.374	0.140	0.140	0.000	0.000	0.000	0.000
366	A	410	ASN	0	-0.025	-0.037	30.418	0.186	0.186	0.000	0.000	0.000	0.000
367	A	411	ALA	0	0.039	0.032	30.369	-0.131	-0.131	0.000	0.000	0.000	0.000
368	A	412	PRO	0	0.034	0.032	27.246	-0.119	-0.119	0.000	0.000	0.000	0.000
369	A	413	LEU	0	0.013	0.006	29.523	-0.028	-0.028	0.000	0.000	0.000	0.000
370	A	414	SER	0	-0.043	-0.027	31.835	-0.161	-0.161	0.000	0.000	0.000	0.000
371	A	415	VAL	0	-0.030	-0.029	28.263	-0.147	-0.147	0.000	0.000	0.000	0.000
372	A	416	GLY	0	0.011	0.009	31.081	0.080	0.080	0.000	0.000	0.000	0.000
373	A	417	PRO	0	-0.026	-0.028	29.775	0.274	0.274	0.000	0.000	0.000	0.000
374	A	418	GLN	0	-0.098	-0.048	27.222	0.690	0.690	0.000	0.000	0.000	0.000
375	A	419	ALA	0	-0.014	0.006	25.735	0.468	0.468	0.000	0.000	0.000	0.000
376	A	420	PRO	0	0.007	0.024	21.218	-0.039	-0.039	0.000	0.000	0.000	0.000
377	A	421	LEU	0	-0.006	-0.008	21.780	-0.542	-0.542	0.000	0.000	0.000	0.000
378	A	422	THR	0	0.050	0.009	21.806	0.512	0.512	0.000	0.000	0.000	0.000
379	A	423	GLY	0	0.028	0.018	23.660	-0.505	-0.505	0.000	0.000	0.000	0.000
380	A	424	GLN	0	0.036	0.001	24.699	-0.539	-0.539	0.000	0.000	0.000	0.000
381	A	425	LEU	0	-0.066	0.003	22.741	0.630	0.630	0.000	0.000	0.000	0.000
382	A	426	ARG	1	0.911	0.945	22.940	-11.701	-11.701	0.000	0.000	0.000	0.000
383	A	427	GLU	-1	-0.935	-0.967	19.626	15.027	15.027	0.000	0.000	0.000	0.000
384	A	428	GLY	0	-0.038	-0.019	18.556	-0.564	-0.564	0.000	0.000	0.000	0.000
385	A	429	TYR	0	-0.052	-0.017	19.292	0.006	0.006	0.000	0.000	0.000	0.000
386	A	430	GLU	-1	-0.921	-0.973	17.660	17.658	17.658	0.000	0.000	0.000	0.000
387	A	431	ALA	0	-0.046	-0.015	15.627	-0.773	-0.773	0.000	0.000	0.000	0.000
388	A	432	ASP	-1	-0.875	-0.938	17.655	15.831	15.831	0.000	0.000	0.000	0.000
389	A	433	VAL	0	-0.037	-0.021	19.785	-0.700	-0.700	0.000	0.000	0.000	0.000
390	A	434	ILE	0	-0.001	-0.001	21.941	0.341	0.341	0.000	0.000	0.000	0.000
391	A	435	ALA	0	-0.010	-0.010	24.522	-0.150	-0.150	0.000	0.000	0.000	0.000
392	A	436	LEU	0	-0.009	-0.005	26.328	-0.025	-0.025	0.000	0.000	0.000	0.000
393	A	437	GLU	-1	-0.990	-0.997	29.897	9.987	9.987	0.000	0.000	0.000	0.000
394	A	438	GLU	-1	-0.925	-0.968	31.997	8.173	8.173	0.000	0.000	0.000	0.000
395	A	439	ASN	0	-0.003	-0.016	34.132	0.406	0.406	0.000	0.000	0.000	0.000
396	A	440	PRO	0	0.034	0.024	33.443	-0.258	-0.258	0.000	0.000	0.000	0.000
397	A	441	LEU	0	-0.053	-0.040	35.488	-0.149	-0.149	0.000	0.000	0.000	0.000
398	A	442	GLU	-1	-0.984	-0.992	38.507	7.538	7.538	0.000	0.000	0.000	0.000
399	A	443	ASP	-1	-0.851	-0.929	39.882	7.330	7.330	0.000	0.000	0.000	0.000
400	A	444	ILE	0	0.004	0.005	37.511	0.215	0.215	0.000	0.000	0.000	0.000
401	A	445	LYS	1	0.937	0.976	38.516	-6.847	-6.847	0.000	0.000	0.000	0.000
402	A	446	VAL	0	0.019	0.018	34.962	0.091	0.091	0.000	0.000	0.000	0.000
403	A	447	PHE	0	-0.033	-0.040	31.439	0.195	0.195	0.000	0.000	0.000	0.000
404	A	448	GLN	0	-0.009	-0.006	34.928	0.122	0.122	0.000	0.000	0.000	0.000
405	A	449	GLU	-1	-0.877	-0.924	36.082	8.559	8.559	0.000	0.000	0.000	0.000
406	A	450	PRO	0	0.063	0.023	32.172	0.251	0.251	0.000	0.000	0.000	0.000
407	A	451	LYS	1	0.883	0.944	31.249	-8.232	-8.232	0.000	0.000	0.000	0.000
408	A	452	ALA	0	-0.009	0.001	31.764	0.182	0.182	0.000	0.000	0.000	0.000
409	A	453	VAL	0	0.002	0.013	26.884	0.192	0.192	0.000	0.000	0.000	0.000
410	A	454	THR	0	0.022	0.021	26.815	0.438	0.438	0.000	0.000	0.000	0.000
411	A	455	HIS	1	0.842	0.905	21.091	-12.786	-12.786	0.000	0.000	0.000	0.000
412	A	456	VAL	0	0.027	0.015	21.661	-0.331	-0.331	0.000	0.000	0.000	0.000
413	A	457	TRP	0	-0.010	-0.010	15.858	-0.014	-0.014	0.000	0.000	0.000	0.000
414	A	458	LYS	1	0.917	0.958	17.760	-16.292	-16.292	0.000	0.000	0.000	0.000
415	A	459	GLY	0	0.040	0.014	15.540	0.937	0.937	0.000	0.000	0.000	0.000
416	A	460	GLY	0	-0.022	-0.013	13.187	1.704	1.704	0.000	0.000	0.000	0.000
417	A	461	LYS	1	0.874	0.962	12.793	-20.364	-20.364	0.000	0.000	0.000	0.000
418	A	462	LEU	0	-0.020	-0.014	14.387	-1.557	-1.557	0.000	0.000	0.000	0.000
419	A	463	PHE	0	-0.015	-0.028	16.986	0.405	0.405	0.000	0.000	0.000	0.000
420	A	464	LYS	1	0.869	0.942	19.944	-11.772	-11.772	0.000	0.000	0.000	0.000
421	A	465	GLY	0	0.037	0.019	21.720	0.319	0.319	0.000	0.000	0.000	0.000
422	A	466	PRO	0	-0.007	-0.008	21.950	-0.107	-0.107	0.000	0.000	0.000	0.000
423	A	467	GLY	0	-0.009	-0.002	21.337	0.530	0.530	0.000	0.000	0.000	0.000
424	A	468	ILE	0	-0.035	0.005	17.859	0.636	0.636	0.000	0.000	0.000	0.000
425	A	469	GLY	0	-0.004	0.000	20.757	-0.655	-0.655	0.000	0.000	0.000	0.000
426	A	470	PRO	0	0.025	-0.002	22.564	0.235	0.235	0.000	0.000	0.000	0.000
427	A	471	TRP	0	0.027	0.011	21.372	-0.093	-0.093	0.000	0.000	0.000	0.000
428	A	472	GLY	0	0.028	0.024	18.726	0.641	0.641	0.000	0.000	0.000	0.000
429	A	473	GLU	-1	-0.903	-0.947	13.632	22.064	22.064	0.000	0.000	0.000	0.000
430	A	474	ASP	-1	-0.944	-0.980	11.770	25.871	25.871	0.000	0.000	0.000	0.000
431	A	475	ALA	0	-0.047	-0.006	14.815	0.508	0.508	0.000	0.000	0.000	0.000
432	A	476	ARG	1	0.951	0.960	14.770	-19.536	-19.536	0.000	0.000	0.000	0.000
433	A	477	ASN	0	0.042	0.017	18.336	-0.210	-0.210	0.000	0.000	0.000	0.000
434	A	478	PRO	0	0.026	0.019	19.865	0.330	0.330	0.000	0.000	0.000	0.000
435	A	479	PHE	0	-0.017	-0.008	20.871	-0.082	-0.082	0.000	0.000	0.000	0.000
436	A	480	LEU	0	-0.060	-0.017	20.329	-0.459	-0.459	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:45:ASP)