FMO DATABASE

FMODB ID: 2LK6R

Calculation Name: 2CWX-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2CWX

Chain ID: A

ChEMBL ID:

UniProt ID: O58677

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	416
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7278853.511322
FMO2-HF: Nuclear repulsion	7115431.466173
FMO2-HF: Total energy	-163422.045149
FMO2-MP2: Total energy	-163899.589293

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:8:VAL)

Summations of interaction energy for fragment #1(A:8:VAL)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-9.396	-6.005	8.931	-3.94	-8.382	-0.007

Interaction energy analysis for fragmet #1(A:8:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.055 / q_NPA : -0.040

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	10	TRP	0	0.046	0.031	2.408	-2.446	-1.655	4.649	-1.992	-3.448	0.007
4	A	11	TYR	0	-0.034	-0.044	2.019	-6.250	-4.696	4.275	-1.744	-4.086	-0.013
5	A	12	LEU	0	0.016	0.004	3.784	-0.372	0.033	0.005	-0.103	-0.307	-0.001
6	A	13	ASP	-1	-0.841	-0.890	6.121	1.159	1.159	0.000	0.000	0.000	0.000
7	A	14	PHE	0	-0.087	-0.055	6.109	-0.132	-0.132	0.000	0.000	0.000	0.000
8	A	15	VAL	0	-0.088	-0.045	8.645	-0.064	-0.064	0.000	0.000	0.000	0.000
9	A	16	ASP	-1	-0.870	-0.948	11.034	0.014	0.014	0.000	0.000	0.000	0.000
10	A	17	LEU	0	-0.057	-0.028	14.402	0.017	0.017	0.000	0.000	0.000	0.000
11	A	18	ASN	0	-0.029	-0.004	17.244	-0.001	-0.001	0.000	0.000	0.000	0.000
12	A	19	TYR	0	-0.099	-0.057	17.374	0.022	0.022	0.000	0.000	0.000	0.000
13	A	20	GLU	-1	-0.942	-0.975	19.370	-0.026	-0.026	0.000	0.000	0.000	0.000
14	A	21	PRO	0	-0.056	-0.026	20.517	0.012	0.012	0.000	0.000	0.000	0.000
15	A	22	GLY	0	0.033	0.035	22.354	-0.003	-0.003	0.000	0.000	0.000	0.000
16	A	23	ARG	1	0.920	0.936	25.067	-0.023	-0.023	0.000	0.000	0.000	0.000
17	A	24	ASP	-1	-0.963	-0.988	25.725	0.039	0.039	0.000	0.000	0.000	0.000
18	A	25	GLU	-1	-0.817	-0.888	19.684	0.053	0.053	0.000	0.000	0.000	0.000
19	A	26	LEU	0	-0.054	-0.012	21.601	-0.009	-0.009	0.000	0.000	0.000	0.000
20	A	27	ILE	0	0.002	0.002	20.714	-0.002	-0.002	0.000	0.000	0.000	0.000
21	A	28	VAL	0	-0.015	-0.011	18.785	0.002	0.002	0.000	0.000	0.000	0.000
22	A	29	GLU	-1	-0.883	-0.933	19.335	-0.089	-0.089	0.000	0.000	0.000	0.000
23	A	30	TYR	0	0.005	-0.025	16.569	0.003	0.003	0.000	0.000	0.000	0.000
24	A	31	TYR	0	-0.090	-0.078	19.202	-0.017	-0.017	0.000	0.000	0.000	0.000
25	A	32	PHE	0	0.027	0.001	13.077	-0.006	-0.006	0.000	0.000	0.000	0.000
26	A	33	GLU	-1	-0.785	-0.888	16.858	-0.180	-0.180	0.000	0.000	0.000	0.000
27	A	34	PRO	0	0.028	0.024	12.094	0.005	0.005	0.000	0.000	0.000	0.000
28	A	35	ASN	0	-0.087	-0.073	12.220	0.059	0.059	0.000	0.000	0.000	0.000
29	A	36	GLY	0	0.006	0.003	11.071	-0.013	-0.013	0.000	0.000	0.000	0.000
30	A	37	VAL	0	-0.026	0.016	6.282	-0.011	-0.011	0.000	0.000	0.000	0.000
31	A	38	SER	0	0.036	0.011	7.302	0.121	0.121	0.000	0.000	0.000	0.000
32	A	39	PRO	0	0.022	-0.011	9.675	-0.054	-0.054	0.000	0.000	0.000	0.000
33	A	40	GLU	-1	-0.860	-0.933	9.466	-0.507	-0.507	0.000	0.000	0.000	0.000
34	A	41	GLU	-1	-0.828	-0.904	3.919	-2.014	-1.690	0.001	-0.047	-0.278	0.000
35	A	42	ALA	0	-0.034	-0.024	6.713	-0.008	-0.008	0.000	0.000	0.000	0.000
36	A	43	ALA	0	0.021	0.012	9.252	0.053	0.053	0.000	0.000	0.000	0.000
37	A	44	GLY	0	0.075	0.040	7.267	0.120	0.120	0.000	0.000	0.000	0.000
38	A	45	ARG	1	0.814	0.885	3.996	0.932	1.249	0.001	-0.054	-0.263	0.000
39	A	46	ILE	0	0.001	0.011	7.352	0.150	0.150	0.000	0.000	0.000	0.000
40	A	47	ALA	0	0.034	0.039	9.868	0.071	0.071	0.000	0.000	0.000	0.000
41	A	48	SER	0	-0.058	0.015	6.775	0.044	0.044	0.000	0.000	0.000	0.000
42	A	49	GLU	-1	-0.904	-0.976	8.818	0.023	0.023	0.000	0.000	0.000	0.000
43	A	50	SER	0	-0.044	-0.007	10.783	0.039	0.039	0.000	0.000	0.000	0.000
44	A	51	SER	0	-0.037	-0.059	11.630	0.042	0.042	0.000	0.000	0.000	0.000
45	A	52	ILE	0	-0.060	-0.022	10.262	-0.003	-0.003	0.000	0.000	0.000	0.000
46	A	53	GLY	0	0.017	0.036	9.297	0.043	0.043	0.000	0.000	0.000	0.000
47	A	54	THR	0	-0.015	-0.031	5.318	0.100	0.100	0.000	0.000	0.000	0.000
48	A	55	TRP	0	0.015	-0.002	6.994	-0.168	-0.168	0.000	0.000	0.000	0.000
49	A	56	THR	0	0.073	0.018	8.443	-0.081	-0.081	0.000	0.000	0.000	0.000
50	A	57	THR	0	-0.052	-0.015	11.009	-0.047	-0.047	0.000	0.000	0.000	0.000
51	A	58	LEU	0	-0.013	-0.003	11.702	-0.081	-0.081	0.000	0.000	0.000	0.000
52	A	59	TRP	0	0.008	0.014	14.796	-0.060	-0.060	0.000	0.000	0.000	0.000
53	A	60	LYS	1	0.921	0.950	15.442	-0.197	-0.197	0.000	0.000	0.000	0.000
54	A	61	LEU	0	0.057	0.032	12.290	-0.044	-0.044	0.000	0.000	0.000	0.000
55	A	62	PRO	0	-0.034	-0.010	15.308	-0.028	-0.028	0.000	0.000	0.000	0.000
56	A	63	GLU	-1	-0.859	-0.943	16.960	0.264	0.264	0.000	0.000	0.000	0.000
57	A	64	MET	0	0.003	-0.011	18.581	0.002	0.002	0.000	0.000	0.000	0.000
58	A	65	ALA	0	0.018	0.024	14.033	-0.017	-0.017	0.000	0.000	0.000	0.000
59	A	66	LYS	1	1.003	1.007	13.973	-0.262	-0.262	0.000	0.000	0.000	0.000
60	A	67	ARG	1	0.916	0.946	15.051	-0.157	-0.157	0.000	0.000	0.000	0.000
61	A	68	SER	0	-0.018	-0.012	16.350	-0.037	-0.037	0.000	0.000	0.000	0.000
62	A	69	MET	0	-0.012	0.004	10.136	0.022	0.022	0.000	0.000	0.000	0.000
63	A	70	ALA	0	0.022	0.019	12.784	-0.027	-0.027	0.000	0.000	0.000	0.000
64	A	71	LYS	1	0.912	0.961	12.280	-0.096	-0.096	0.000	0.000	0.000	0.000
65	A	72	VAL	0	-0.005	-0.003	11.529	-0.013	-0.013	0.000	0.000	0.000	0.000
66	A	73	PHE	0	0.027	0.010	14.182	-0.005	-0.005	0.000	0.000	0.000	0.000
67	A	74	TYR	0	0.015	0.001	17.217	0.008	0.008	0.000	0.000	0.000	0.000
68	A	75	LEU	0	0.012	-0.010	13.312	-0.022	-0.022	0.000	0.000	0.000	0.000
69	A	76	GLU	-1	-0.904	-0.925	17.419	-0.156	-0.156	0.000	0.000	0.000	0.000
70	A	77	LYS	1	0.795	0.876	19.625	0.190	0.190	0.000	0.000	0.000	0.000
71	A	78	HIS	0	-0.006	-0.019	20.725	0.022	0.022	0.000	0.000	0.000	0.000
72	A	79	GLY	0	0.038	0.024	22.888	-0.005	-0.005	0.000	0.000	0.000	0.000
73	A	80	GLU	-1	-0.886	-0.902	22.904	-0.141	-0.141	0.000	0.000	0.000	0.000
74	A	81	GLY	0	-0.007	0.002	19.184	-0.017	-0.017	0.000	0.000	0.000	0.000
75	A	82	TYR	0	-0.010	0.008	16.584	-0.009	-0.009	0.000	0.000	0.000	0.000
76	A	83	ILE	0	0.021	0.013	18.695	0.005	0.005	0.000	0.000	0.000	0.000
77	A	84	ALA	0	-0.002	0.002	15.464	-0.015	-0.015	0.000	0.000	0.000	0.000
78	A	85	LYS	1	0.888	0.959	17.498	0.104	0.104	0.000	0.000	0.000	0.000
79	A	86	ILE	0	-0.004	0.000	13.116	-0.014	-0.014	0.000	0.000	0.000	0.000
80	A	87	ALA	0	0.003	0.004	16.617	0.006	0.006	0.000	0.000	0.000	0.000
81	A	88	TYR	0	0.002	-0.037	14.930	0.010	0.010	0.000	0.000	0.000	0.000
82	A	89	PRO	0	0.076	0.034	17.211	-0.009	-0.009	0.000	0.000	0.000	0.000
83	A	90	LEU	0	0.026	-0.001	20.248	0.001	0.001	0.000	0.000	0.000	0.000
84	A	91	THR	0	-0.047	-0.032	19.514	-0.004	-0.004	0.000	0.000	0.000	0.000
85	A	92	LEU	0	-0.060	-0.008	15.649	0.011	0.011	0.000	0.000	0.000	0.000
86	A	93	PHE	0	-0.073	-0.031	19.704	-0.007	-0.007	0.000	0.000	0.000	0.000
87	A	94	GLU	-1	-0.939	-0.950	23.064	0.049	0.049	0.000	0.000	0.000	0.000
88	A	95	GLU	-1	-0.934	-0.989	26.215	0.034	0.034	0.000	0.000	0.000	0.000
89	A	96	GLY	0	0.051	0.032	28.733	0.001	0.001	0.000	0.000	0.000	0.000
90	A	97	SER	0	-0.001	0.018	27.711	-0.006	-0.006	0.000	0.000	0.000	0.000
91	A	98	LEU	0	0.014	0.004	27.131	0.000	0.000	0.000	0.000	0.000	0.000
92	A	99	VAL	0	-0.021	-0.019	26.463	-0.004	-0.004	0.000	0.000	0.000	0.000
93	A	100	GLN	0	0.072	0.034	21.208	-0.010	-0.010	0.000	0.000	0.000	0.000
94	A	101	LEU	0	0.049	0.054	21.909	0.000	0.000	0.000	0.000	0.000	0.000
95	A	102	PHE	0	-0.040	-0.045	21.566	-0.008	-0.008	0.000	0.000	0.000	0.000
96	A	103	SER	0	-0.104	-0.049	21.464	-0.005	-0.005	0.000	0.000	0.000	0.000
97	A	104	ALA	0	0.028	0.030	17.847	-0.003	-0.003	0.000	0.000	0.000	0.000
98	A	105	VAL	0	-0.004	-0.014	16.925	-0.016	-0.016	0.000	0.000	0.000	0.000
99	A	106	ALA	0	-0.038	-0.017	18.542	-0.021	-0.021	0.000	0.000	0.000	0.000
100	A	107	GLY	0	0.062	0.042	18.454	0.002	0.002	0.000	0.000	0.000	0.000
101	A	108	ASN	0	-0.013	-0.020	14.930	-0.017	-0.017	0.000	0.000	0.000	0.000
102	A	109	VAL	0	0.037	0.021	13.047	-0.027	-0.027	0.000	0.000	0.000	0.000
103	A	110	PHE	0	-0.035	-0.021	15.004	-0.032	-0.032	0.000	0.000	0.000	0.000
104	A	111	GLY	0	-0.014	0.001	16.800	-0.003	-0.003	0.000	0.000	0.000	0.000
105	A	112	MET	0	-0.048	0.001	10.963	-0.023	-0.023	0.000	0.000	0.000	0.000
106	A	113	LYS	1	1.021	1.007	7.268	0.297	0.297	0.000	0.000	0.000	0.000
107	A	114	ALA	0	-0.049	-0.022	8.790	0.000	0.000	0.000	0.000	0.000	0.000
108	A	115	LEU	0	-0.004	0.002	10.754	-0.053	-0.053	0.000	0.000	0.000	0.000
109	A	116	LYS	1	0.877	0.943	13.743	0.282	0.282	0.000	0.000	0.000	0.000
110	A	117	ASN	0	-0.091	-0.044	17.101	0.038	0.038	0.000	0.000	0.000	0.000
111	A	118	LEU	0	0.045	0.023	15.636	-0.028	-0.028	0.000	0.000	0.000	0.000
112	A	119	ARG	1	0.895	0.963	18.575	0.109	0.109	0.000	0.000	0.000	0.000
113	A	120	LEU	0	0.021	0.029	20.625	-0.008	-0.008	0.000	0.000	0.000	0.000
114	A	121	LEU	0	-0.024	-0.049	21.921	0.009	0.009	0.000	0.000	0.000	0.000
115	A	122	ASP	-1	-0.811	-0.891	23.701	-0.037	-0.037	0.000	0.000	0.000	0.000
116	A	123	PHE	0	-0.009	-0.010	23.450	-0.006	-0.006	0.000	0.000	0.000	0.000
117	A	124	HIS	0	-0.061	-0.041	24.563	0.009	0.009	0.000	0.000	0.000	0.000
118	A	125	PRO	0	0.010	0.007	25.495	0.003	0.003	0.000	0.000	0.000	0.000
119	A	126	PRO	0	0.051	0.045	25.542	-0.002	-0.002	0.000	0.000	0.000	0.000
120	A	127	TYR	0	0.012	-0.011	28.472	0.002	0.002	0.000	0.000	0.000	0.000
121	A	128	GLU	-1	-0.836	-0.932	29.431	0.028	0.028	0.000	0.000	0.000	0.000
122	A	129	TYR	0	0.056	0.037	25.843	-0.001	-0.001	0.000	0.000	0.000	0.000
123	A	130	LEU	0	-0.037	-0.034	29.213	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	131	ARG	1	0.852	0.920	31.928	-0.024	-0.024	0.000	0.000	0.000	0.000
125	A	132	HIS	0	-0.040	0.003	31.137	-0.002	-0.002	0.000	0.000	0.000	0.000
126	A	133	PHE	0	-0.055	-0.018	29.946	-0.001	-0.001	0.000	0.000	0.000	0.000
127	A	134	LYS	1	0.980	0.981	35.149	-0.009	-0.009	0.000	0.000	0.000	0.000
128	A	135	GLY	0	0.035	0.034	37.485	-0.001	-0.001	0.000	0.000	0.000	0.000
129	A	136	PRO	0	-0.064	-0.034	38.656	0.001	0.001	0.000	0.000	0.000	0.000
130	A	137	GLN	0	-0.010	0.007	41.745	0.001	0.001	0.000	0.000	0.000	0.000
131	A	138	PHE	0	-0.013	-0.003	44.782	0.000	0.000	0.000	0.000	0.000	0.000
132	A	139	GLY	0	-0.004	-0.015	44.445	0.000	0.000	0.000	0.000	0.000	0.000
133	A	140	VAL	0	-0.035	-0.016	45.023	0.000	0.000	0.000	0.000	0.000	0.000
134	A	141	GLN	0	-0.011	-0.025	47.424	0.001	0.001	0.000	0.000	0.000	0.000
135	A	142	GLY	0	0.041	0.037	48.771	0.000	0.000	0.000	0.000	0.000	0.000
136	A	143	ILE	0	0.003	-0.003	46.956	0.000	0.000	0.000	0.000	0.000	0.000
137	A	144	ARG	1	0.739	0.854	50.879	0.011	0.011	0.000	0.000	0.000	0.000
138	A	145	GLU	-1	-0.978	-0.978	53.341	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	146	PHE	0	-0.003	-0.002	50.344	0.000	0.000	0.000	0.000	0.000	0.000
140	A	147	MET	0	-0.021	-0.012	53.723	0.000	0.000	0.000	0.000	0.000	0.000
141	A	148	GLY	0	0.039	0.039	56.391	0.000	0.000	0.000	0.000	0.000	0.000
142	A	149	VAL	0	-0.052	-0.023	55.837	0.000	0.000	0.000	0.000	0.000	0.000
143	A	150	LYS	1	0.956	0.962	55.541	0.007	0.007	0.000	0.000	0.000	0.000
144	A	151	ASP	-1	-0.894	-0.947	55.270	-0.012	-0.012	0.000	0.000	0.000	0.000
145	A	152	ARG	1	0.867	0.914	54.530	0.010	0.010	0.000	0.000	0.000	0.000
146	A	153	PRO	0	0.030	0.019	51.549	0.000	0.000	0.000	0.000	0.000	0.000
147	A	154	LEU	0	0.017	0.027	50.903	0.001	0.001	0.000	0.000	0.000	0.000
148	A	155	THR	0	-0.024	-0.030	52.552	-0.001	-0.001	0.000	0.000	0.000	0.000
149	A	156	ALA	0	0.040	0.013	50.754	0.001	0.001	0.000	0.000	0.000	0.000
150	A	157	THR	0	-0.067	-0.038	52.898	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	158	VAL	0	-0.025	0.006	49.136	0.001	0.001	0.000	0.000	0.000	0.000
152	A	159	PRO	0	0.033	0.011	52.563	-0.001	-0.001	0.000	0.000	0.000	0.000
153	A	160	LYS	1	0.904	0.977	52.900	0.017	0.017	0.000	0.000	0.000	0.000
154	A	161	PRO	0	0.071	0.012	54.993	0.000	0.000	0.000	0.000	0.000	0.000
155	A	162	LYS	1	0.870	0.936	45.875	0.020	0.020	0.000	0.000	0.000	0.000
156	A	163	MET	0	-0.072	-0.023	49.091	0.001	0.001	0.000	0.000	0.000	0.000
157	A	164	GLY	0	0.006	-0.004	53.396	0.000	0.000	0.000	0.000	0.000	0.000
158	A	165	TRP	0	0.022	0.028	55.706	0.001	0.001	0.000	0.000	0.000	0.000
159	A	166	SER	0	0.028	0.024	58.165	0.001	0.001	0.000	0.000	0.000	0.000
160	A	167	VAL	0	0.033	0.000	58.979	0.000	0.000	0.000	0.000	0.000	0.000
161	A	168	GLH	0	-0.131	-0.111	60.934	0.000	0.000	0.000	0.000	0.000	0.000
162	A	169	GLU	-1	-0.794	-0.891	62.009	-0.008	-0.008	0.000	0.000	0.000	0.000
163	A	170	TYR	0	-0.059	-0.060	53.481	-0.001	-0.001	0.000	0.000	0.000	0.000
164	A	171	ALA	0	-0.016	-0.009	60.266	0.000	0.000	0.000	0.000	0.000	0.000
165	A	172	GLU	-1	-0.846	-0.873	62.541	-0.007	-0.007	0.000	0.000	0.000	0.000
166	A	173	ILE	0	0.010	-0.002	59.505	0.000	0.000	0.000	0.000	0.000	0.000
167	A	174	ALA	0	-0.001	-0.001	59.445	0.000	0.000	0.000	0.000	0.000	0.000
168	A	175	TYR	0	-0.088	-0.053	60.714	0.000	0.000	0.000	0.000	0.000	0.000
169	A	176	GLU	-1	-0.891	-0.944	63.787	-0.008	-0.008	0.000	0.000	0.000	0.000
170	A	177	LEU	0	-0.044	-0.028	57.516	0.000	0.000	0.000	0.000	0.000	0.000
171	A	178	TRP	0	-0.018	-0.012	57.172	0.000	0.000	0.000	0.000	0.000	0.000
172	A	179	SER	0	-0.021	-0.031	61.584	0.000	0.000	0.000	0.000	0.000	0.000
173	A	180	GLY	0	-0.072	-0.028	64.142	0.000	0.000	0.000	0.000	0.000	0.000
174	A	181	GLY	0	0.025	0.012	62.222	0.000	0.000	0.000	0.000	0.000	0.000
175	A	182	ILE	0	-0.066	-0.023	56.179	0.000	0.000	0.000	0.000	0.000	0.000
176	A	183	ASP	-1	-0.714	-0.817	55.204	-0.010	-0.010	0.000	0.000	0.000	0.000
177	A	184	LEU	0	0.005	-0.004	50.744	0.001	0.001	0.000	0.000	0.000	0.000
178	A	185	LEU	0	-0.006	0.014	54.081	-0.001	-0.001	0.000	0.000	0.000	0.000
179	A	186	LYS	1	0.836	0.922	45.915	0.016	0.016	0.000	0.000	0.000	0.000
180	A	187	ASP	-1	-0.650	-0.773	49.494	-0.009	-0.009	0.000	0.000	0.000	0.000
181	A	188	ASP	-1	-0.804	-0.930	47.508	-0.018	-0.018	0.000	0.000	0.000	0.000
182	A	189	GLU	-1	-0.811	-0.928	42.582	-0.019	-0.019	0.000	0.000	0.000	0.000
183	A	190	ASN	0	-0.013	0.006	44.519	0.000	0.000	0.000	0.000	0.000	0.000
184	A	191	PHE	0	-0.045	-0.042	46.056	0.001	0.001	0.000	0.000	0.000	0.000
185	A	192	THR	0	0.049	0.042	45.597	0.001	0.001	0.000	0.000	0.000	0.000
186	A	193	SER	0	0.023	0.001	48.965	0.001	0.001	0.000	0.000	0.000	0.000
187	A	194	PHE	0	-0.055	-0.011	49.611	0.000	0.000	0.000	0.000	0.000	0.000
188	A	195	PRO	0	-0.008	-0.021	53.768	0.001	0.001	0.000	0.000	0.000	0.000
189	A	196	PHE	0	0.018	0.012	54.607	0.001	0.001	0.000	0.000	0.000	0.000
190	A	197	ASN	0	0.001	-0.016	55.715	0.000	0.000	0.000	0.000	0.000	0.000
191	A	198	ARG	1	0.953	1.003	55.063	0.002	0.002	0.000	0.000	0.000	0.000
192	A	199	PHE	0	0.075	0.015	50.465	0.000	0.000	0.000	0.000	0.000	0.000
193	A	200	GLU	-1	-0.878	-0.952	54.189	0.001	0.001	0.000	0.000	0.000	0.000
194	A	201	GLU	-1	-0.963	-0.990	56.612	-0.003	-0.003	0.000	0.000	0.000	0.000
195	A	202	ARG	1	0.784	0.882	51.389	0.007	0.007	0.000	0.000	0.000	0.000
196	A	203	VAL	0	-0.011	0.008	54.360	0.000	0.000	0.000	0.000	0.000	0.000
197	A	204	ARG	1	0.998	1.010	57.256	0.000	0.000	0.000	0.000	0.000	0.000
198	A	205	LYS	1	0.881	0.955	60.764	0.004	0.004	0.000	0.000	0.000	0.000
199	A	206	LEU	0	-0.010	-0.035	57.807	0.000	0.000	0.000	0.000	0.000	0.000
200	A	207	TYR	0	0.106	0.055	53.750	-0.001	-0.001	0.000	0.000	0.000	0.000
201	A	208	ARG	1	0.979	1.007	60.507	0.002	0.002	0.000	0.000	0.000	0.000
202	A	209	VAL	0	-0.105	-0.051	62.639	0.000	0.000	0.000	0.000	0.000	0.000
203	A	210	ARG	1	0.813	0.899	57.283	0.003	0.003	0.000	0.000	0.000	0.000
204	A	211	ASP	-1	-0.797	-0.889	62.089	-0.003	-0.003	0.000	0.000	0.000	0.000
205	A	212	ARG	1	0.800	0.903	64.496	0.005	0.005	0.000	0.000	0.000	0.000
206	A	213	VAL	0	-0.009	-0.015	63.828	0.000	0.000	0.000	0.000	0.000	0.000
207	A	214	GLU	-1	-0.792	-0.898	60.863	-0.004	-0.004	0.000	0.000	0.000	0.000
208	A	215	ALA	0	-0.060	-0.019	65.203	0.000	0.000	0.000	0.000	0.000	0.000
209	A	216	GLU	-1	-0.865	-0.914	68.801	-0.005	-0.005	0.000	0.000	0.000	0.000
210	A	217	THR	0	-0.073	-0.049	65.805	0.000	0.000	0.000	0.000	0.000	0.000
211	A	218	GLY	0	-0.016	0.005	67.450	0.000	0.000	0.000	0.000	0.000	0.000
212	A	219	GLU	-1	-0.902	-0.951	62.389	-0.008	-0.008	0.000	0.000	0.000	0.000
213	A	220	THR	0	0.015	0.010	58.179	0.000	0.000	0.000	0.000	0.000	0.000
214	A	221	LYS	1	0.783	0.911	58.590	0.007	0.007	0.000	0.000	0.000	0.000
215	A	222	GLU	-1	-0.684	-0.848	53.823	-0.004	-0.004	0.000	0.000	0.000	0.000
216	A	223	TYR	0	-0.076	-0.082	53.107	-0.001	-0.001	0.000	0.000	0.000	0.000
217	A	224	LEU	0	-0.009	0.007	48.044	0.000	0.000	0.000	0.000	0.000	0.000
218	A	225	ILE	0	-0.023	-0.005	49.859	-0.001	-0.001	0.000	0.000	0.000	0.000
219	A	226	ASN	0	-0.012	0.003	45.171	0.001	0.001	0.000	0.000	0.000	0.000
220	A	227	ILE	0	-0.014	0.001	44.390	0.000	0.000	0.000	0.000	0.000	0.000
221	A	228	THR	0	-0.014	-0.026	41.000	0.001	0.001	0.000	0.000	0.000	0.000
222	A	229	GLY	0	-0.017	-0.025	42.234	0.000	0.000	0.000	0.000	0.000	0.000
223	A	230	PRO	0	0.008	-0.002	40.497	0.000	0.000	0.000	0.000	0.000	0.000
224	A	231	VAL	0	0.093	0.050	38.571	0.000	0.000	0.000	0.000	0.000	0.000
225	A	232	ASN	0	0.052	0.020	41.258	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	233	ILE	0	-0.091	-0.041	44.296	0.000	0.000	0.000	0.000	0.000	0.000
227	A	234	MET	0	-0.008	0.008	39.591	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	235	GLU	-1	-0.783	-0.861	44.451	0.008	0.008	0.000	0.000	0.000	0.000
229	A	236	LYS	1	0.957	0.977	46.025	-0.006	-0.006	0.000	0.000	0.000	0.000
230	A	237	ARG	1	0.887	0.949	47.983	0.002	0.002	0.000	0.000	0.000	0.000
231	A	238	ALA	0	0.043	0.017	46.969	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	239	GLU	-1	-0.891	-0.946	49.058	0.005	0.005	0.000	0.000	0.000	0.000
233	A	240	MET	0	-0.078	-0.048	51.618	0.000	0.000	0.000	0.000	0.000	0.000
234	A	241	VAL	0	-0.015	0.000	51.129	0.000	0.000	0.000	0.000	0.000	0.000
235	A	242	ALA	0	0.039	0.019	52.151	0.000	0.000	0.000	0.000	0.000	0.000
236	A	243	ASN	0	-0.072	-0.039	54.030	0.000	0.000	0.000	0.000	0.000	0.000
237	A	244	GLU	-1	-0.982	-0.984	56.839	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	245	GLY	0	0.005	0.015	57.465	0.000	0.000	0.000	0.000	0.000	0.000
239	A	246	GLY	0	-0.057	-0.018	54.545	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	247	GLN	0	0.055	0.006	52.641	0.000	0.000	0.000	0.000	0.000	0.000
241	A	248	TYR	0	-0.062	-0.068	47.903	0.000	0.000	0.000	0.000	0.000	0.000
242	A	249	VAL	0	-0.013	-0.002	45.272	0.000	0.000	0.000	0.000	0.000	0.000
243	A	250	MET	0	-0.073	-0.019	44.506	-0.001	-0.001	0.000	0.000	0.000	0.000
244	A	251	ILE	0	0.030	0.005	39.678	0.001	0.001	0.000	0.000	0.000	0.000
245	A	252	ASP	-1	-0.852	-0.945	39.690	-0.016	-0.016	0.000	0.000	0.000	0.000
246	A	253	ILE	0	0.001	-0.017	34.780	0.000	0.000	0.000	0.000	0.000	0.000
247	A	254	VAL	0	-0.061	-0.016	32.225	0.000	0.000	0.000	0.000	0.000	0.000
248	A	255	VAL	0	-0.034	-0.021	33.734	0.000	0.000	0.000	0.000	0.000	0.000
249	A	256	ALA	0	-0.001	0.008	35.635	0.001	0.001	0.000	0.000	0.000	0.000
250	A	257	GLY	0	0.016	0.014	32.723	0.002	0.002	0.000	0.000	0.000	0.000
251	A	258	TRP	0	0.016	-0.012	28.286	0.003	0.003	0.000	0.000	0.000	0.000
252	A	259	SER	0	0.011	0.008	31.357	0.002	0.002	0.000	0.000	0.000	0.000
253	A	260	ALA	0	0.021	0.015	32.854	0.002	0.002	0.000	0.000	0.000	0.000
254	A	261	LEU	0	-0.005	0.000	34.718	0.000	0.000	0.000	0.000	0.000	0.000
255	A	262	GLN	0	-0.026	-0.047	31.172	0.000	0.000	0.000	0.000	0.000	0.000
256	A	263	TYR	0	-0.001	-0.007	35.705	0.001	0.001	0.000	0.000	0.000	0.000
257	A	264	MET	0	0.004	-0.011	38.300	0.000	0.000	0.000	0.000	0.000	0.000
258	A	265	ARG	1	0.727	0.879	38.625	-0.002	-0.002	0.000	0.000	0.000	0.000
259	A	266	GLU	-1	-0.931	-0.978	37.872	0.014	0.014	0.000	0.000	0.000	0.000
260	A	267	VAL	0	0.075	0.050	41.909	0.000	0.000	0.000	0.000	0.000	0.000
261	A	268	THR	0	-0.077	-0.062	43.178	0.000	0.000	0.000	0.000	0.000	0.000
262	A	269	GLU	-1	-0.876	-0.928	43.799	0.004	0.004	0.000	0.000	0.000	0.000
263	A	270	ASP	-1	-0.922	-0.949	45.761	0.010	0.010	0.000	0.000	0.000	0.000
264	A	271	LEU	0	-0.103	-0.058	48.245	0.000	0.000	0.000	0.000	0.000	0.000
265	A	272	GLY	0	-0.002	0.025	49.108	-0.001	-0.001	0.000	0.000	0.000	0.000
266	A	273	LEU	0	-0.100	-0.043	47.760	-0.001	-0.001	0.000	0.000	0.000	0.000
267	A	274	ALA	0	0.016	-0.004	46.460	0.000	0.000	0.000	0.000	0.000	0.000
268	A	275	ILE	0	-0.026	-0.019	41.093	0.000	0.000	0.000	0.000	0.000	0.000
269	A	276	HIS	0	-0.016	-0.010	43.660	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	277	ALA	0	0.034	0.005	38.776	0.000	0.000	0.000	0.000	0.000	0.000
271	A	278	HIS	0	-0.049	-0.029	40.897	-0.002	-0.002	0.000	0.000	0.000	0.000
272	A	279	ARG	1	0.903	0.943	36.259	0.034	0.034	0.000	0.000	0.000	0.000
273	A	280	ALA	0	0.055	0.020	36.599	-0.003	-0.003	0.000	0.000	0.000	0.000
274	A	281	MET	0	0.037	0.011	32.446	0.001	0.001	0.000	0.000	0.000	0.000
275	A	282	HIS	0	0.027	0.002	32.629	-0.002	-0.002	0.000	0.000	0.000	0.000
276	A	283	ALA	0	-0.069	-0.025	31.687	-0.004	-0.004	0.000	0.000	0.000	0.000
277	A	284	ALA	0	-0.025	-0.017	31.030	-0.004	-0.004	0.000	0.000	0.000	0.000
278	A	285	PHE	0	0.036	0.014	26.635	-0.004	-0.004	0.000	0.000	0.000	0.000
279	A	286	THR	0	-0.020	0.002	27.502	-0.004	-0.004	0.000	0.000	0.000	0.000
280	A	287	ARG	1	0.925	0.970	29.893	0.050	0.050	0.000	0.000	0.000	0.000
281	A	288	ASN	0	0.018	0.008	25.344	-0.002	-0.002	0.000	0.000	0.000	0.000
282	A	289	PRO	0	0.011	-0.003	27.185	-0.002	-0.002	0.000	0.000	0.000	0.000
283	A	290	ARG	1	0.890	0.947	22.667	0.135	0.135	0.000	0.000	0.000	0.000
284	A	291	HIS	0	0.004	0.000	19.908	-0.022	-0.022	0.000	0.000	0.000	0.000
285	A	292	GLY	0	-0.003	0.006	22.489	0.011	0.011	0.000	0.000	0.000	0.000
286	A	293	ILE	0	0.028	0.019	23.116	-0.007	-0.007	0.000	0.000	0.000	0.000
287	A	294	THR	0	-0.015	-0.009	25.490	0.006	0.006	0.000	0.000	0.000	0.000
288	A	295	MET	0	0.030	0.027	28.149	0.004	0.004	0.000	0.000	0.000	0.000
289	A	296	LEU	0	0.010	0.013	29.222	0.004	0.004	0.000	0.000	0.000	0.000
290	A	297	ALA	0	0.056	0.035	26.328	0.005	0.005	0.000	0.000	0.000	0.000
291	A	298	LEU	0	-0.004	-0.008	28.312	0.006	0.006	0.000	0.000	0.000	0.000
292	A	299	ALA	0	0.013	-0.013	30.412	0.005	0.005	0.000	0.000	0.000	0.000
293	A	300	LYS	1	0.835	0.924	28.813	0.037	0.037	0.000	0.000	0.000	0.000
294	A	301	ALA	0	0.060	0.028	28.893	0.004	0.004	0.000	0.000	0.000	0.000
295	A	302	ALA	0	-0.012	-0.015	30.904	0.004	0.004	0.000	0.000	0.000	0.000
296	A	303	ARG	1	0.756	0.891	34.427	0.017	0.017	0.000	0.000	0.000	0.000
297	A	304	MET	0	-0.009	0.000	29.478	0.001	0.001	0.000	0.000	0.000	0.000
298	A	305	ILE	0	-0.014	-0.005	32.010	0.003	0.003	0.000	0.000	0.000	0.000
299	A	306	GLY	0	-0.011	-0.011	35.435	0.002	0.002	0.000	0.000	0.000	0.000
300	A	307	VAL	0	-0.046	-0.022	37.793	0.000	0.000	0.000	0.000	0.000	0.000
301	A	308	ASP	-1	-0.681	-0.845	40.110	-0.006	-0.006	0.000	0.000	0.000	0.000
302	A	309	GLN	0	0.019	0.030	42.918	0.000	0.000	0.000	0.000	0.000	0.000
303	A	310	ILE	0	-0.010	0.007	36.437	0.000	0.000	0.000	0.000	0.000	0.000
304	A	311	HIS	0	-0.002	-0.003	40.298	0.001	0.001	0.000	0.000	0.000	0.000
305	A	312	THR	0	-0.011	-0.020	38.464	-0.001	-0.001	0.000	0.000	0.000	0.000
306	A	313	GLY	0	-0.042	-0.024	39.068	-0.003	-0.003	0.000	0.000	0.000	0.000
307	A	314	THR	0	-0.037	-0.034	41.677	0.001	0.001	0.000	0.000	0.000	0.000
308	A	315	ALA	0	0.035	0.014	43.962	-0.002	-0.002	0.000	0.000	0.000	0.000
309	A	316	VAL	0	-0.030	0.005	46.121	0.002	0.002	0.000	0.000	0.000	0.000
310	A	317	GLY	0	0.036	0.018	48.208	-0.001	-0.001	0.000	0.000	0.000	0.000
311	A	318	LYS	1	0.905	0.941	47.849	0.024	0.024	0.000	0.000	0.000	0.000
312	A	319	MET	0	-0.023	0.019	40.082	-0.001	-0.001	0.000	0.000	0.000	0.000
313	A	320	ALA	0	0.063	0.049	43.762	0.001	0.001	0.000	0.000	0.000	0.000
314	A	321	GLY	0	-0.036	-0.021	40.113	-0.003	-0.003	0.000	0.000	0.000	0.000
315	A	322	ASN	0	0.029	-0.003	35.501	0.002	0.002	0.000	0.000	0.000	0.000
316	A	323	TYR	0	0.057	0.027	38.962	0.000	0.000	0.000	0.000	0.000	0.000
317	A	324	GLU	-1	-0.871	-0.949	36.979	-0.043	-0.043	0.000	0.000	0.000	0.000
318	A	325	GLU	-1	-1.040	-1.015	32.958	-0.056	-0.056	0.000	0.000	0.000	0.000
319	A	326	ILE	0	0.001	0.001	35.909	0.001	0.001	0.000	0.000	0.000	0.000
320	A	327	LYS	1	0.885	0.942	38.664	0.031	0.031	0.000	0.000	0.000	0.000
321	A	328	ARG	1	0.981	1.016	31.973	0.058	0.058	0.000	0.000	0.000	0.000
322	A	329	ILE	0	-0.012	-0.010	33.979	0.002	0.002	0.000	0.000	0.000	0.000
323	A	330	ASN	0	0.078	0.032	36.292	0.002	0.002	0.000	0.000	0.000	0.000
324	A	331	ASP	-1	-0.819	-0.906	38.227	-0.028	-0.028	0.000	0.000	0.000	0.000
325	A	332	PHE	0	-0.015	0.006	33.617	0.002	0.002	0.000	0.000	0.000	0.000
326	A	333	LEU	0	-0.041	-0.024	36.597	0.003	0.003	0.000	0.000	0.000	0.000
327	A	334	LEU	0	0.015	0.004	38.685	0.003	0.003	0.000	0.000	0.000	0.000
328	A	335	SER	0	-0.065	-0.015	37.538	0.002	0.002	0.000	0.000	0.000	0.000
329	A	336	LYS	1	0.978	0.973	39.880	0.007	0.007	0.000	0.000	0.000	0.000
330	A	337	TRP	0	0.013	-0.011	31.073	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	338	GLU	-1	-0.880	-0.943	35.135	0.002	0.002	0.000	0.000	0.000	0.000
332	A	339	HIS	0	-0.043	-0.018	35.785	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	340	ILE	0	-0.005	0.018	35.610	0.000	0.000	0.000	0.000	0.000	0.000
334	A	341	ARG	1	0.980	0.995	39.090	0.000	0.000	0.000	0.000	0.000	0.000
335	A	342	PRO	0	0.003	0.009	40.620	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	343	VAL	0	0.008	0.006	38.886	0.001	0.001	0.000	0.000	0.000	0.000
337	A	344	PHE	0	0.045	0.018	42.033	-0.002	-0.002	0.000	0.000	0.000	0.000
338	A	345	PRO	0	-0.027	-0.006	41.925	0.000	0.000	0.000	0.000	0.000	0.000
339	A	346	VAL	0	-0.028	0.005	42.851	0.001	0.001	0.000	0.000	0.000	0.000
340	A	347	ALA	0	0.044	0.001	43.661	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	348	SER	0	0.000	-0.015	45.258	0.001	0.001	0.000	0.000	0.000	0.000
342	A	349	GLY	0	0.041	0.029	45.548	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	350	GLY	0	-0.065	-0.056	47.097	-0.001	-0.001	0.000	0.000	0.000	0.000
344	A	351	LEU	0	0.019	0.036	48.487	0.000	0.000	0.000	0.000	0.000	0.000
345	A	352	HIS	0	0.043	0.001	52.090	0.002	0.002	0.000	0.000	0.000	0.000
346	A	353	PRO	0	0.073	0.028	55.751	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	354	GLY	0	0.050	0.020	57.938	0.000	0.000	0.000	0.000	0.000	0.000
348	A	355	LEU	0	-0.034	-0.016	51.715	0.000	0.000	0.000	0.000	0.000	0.000
349	A	356	MET	0	-0.018	0.008	52.763	-0.001	-0.001	0.000	0.000	0.000	0.000
350	A	357	PRO	0	0.063	0.019	54.130	0.000	0.000	0.000	0.000	0.000	0.000
351	A	358	GLU	-1	-0.969	-0.979	50.212	-0.027	-0.027	0.000	0.000	0.000	0.000
352	A	359	LEU	0	0.014	0.003	47.768	-0.001	-0.001	0.000	0.000	0.000	0.000
353	A	360	ILE	0	0.034	0.014	49.485	-0.001	-0.001	0.000	0.000	0.000	0.000
354	A	361	ARG	1	0.923	0.976	50.632	0.025	0.025	0.000	0.000	0.000	0.000
355	A	362	LEU	0	-0.073	-0.029	46.692	-0.001	-0.001	0.000	0.000	0.000	0.000
356	A	363	PHE	0	-0.050	-0.052	42.411	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	364	GLY	0	0.034	0.038	46.786	0.000	0.000	0.000	0.000	0.000	0.000
358	A	365	LYS	1	0.920	0.936	49.357	0.014	0.014	0.000	0.000	0.000	0.000
359	A	366	ASP	-1	-0.860	-0.911	47.322	-0.013	-0.013	0.000	0.000	0.000	0.000
360	A	367	LEU	0	-0.042	-0.027	45.998	-0.001	-0.001	0.000	0.000	0.000	0.000
361	A	368	VAL	0	0.029	0.030	47.279	0.001	0.001	0.000	0.000	0.000	0.000
362	A	369	ILE	0	-0.015	-0.015	47.962	-0.002	-0.002	0.000	0.000	0.000	0.000
363	A	370	GLN	0	-0.010	-0.010	46.019	0.001	0.001	0.000	0.000	0.000	0.000
364	A	371	ALA	0	0.009	-0.007	50.049	-0.001	-0.001	0.000	0.000	0.000	0.000
365	A	372	GLY	0	0.058	0.013	51.947	0.001	0.001	0.000	0.000	0.000	0.000
366	A	373	GLY	0	-0.118	-0.068	52.959	0.000	0.000	0.000	0.000	0.000	0.000
367	A	374	GLY	0	0.060	0.026	54.572	0.000	0.000	0.000	0.000	0.000	0.000
368	A	375	VAL	0	-0.010	0.017	56.645	0.000	0.000	0.000	0.000	0.000	0.000
369	A	376	MET	0	-0.032	-0.030	56.725	0.001	0.001	0.000	0.000	0.000	0.000
370	A	377	GLY	0	-0.042	-0.014	58.635	0.000	0.000	0.000	0.000	0.000	0.000
371	A	378	HIS	0	-0.013	0.009	60.124	0.000	0.000	0.000	0.000	0.000	0.000
372	A	379	PRO	0	-0.012	-0.023	62.808	0.000	0.000	0.000	0.000	0.000	0.000
373	A	380	ASP	-1	-0.875	-0.929	66.125	-0.011	-0.011	0.000	0.000	0.000	0.000
374	A	381	GLY	0	0.010	0.012	64.974	0.001	0.001	0.000	0.000	0.000	0.000
375	A	382	PRO	0	0.045	-0.005	61.246	0.000	0.000	0.000	0.000	0.000	0.000
376	A	383	ARG	1	0.994	1.016	62.464	0.007	0.007	0.000	0.000	0.000	0.000
377	A	384	ALA	0	0.034	0.013	64.740	0.000	0.000	0.000	0.000	0.000	0.000
378	A	385	GLY	0	0.016	-0.002	61.573	0.000	0.000	0.000	0.000	0.000	0.000
379	A	386	ALA	0	-0.049	-0.012	60.171	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	387	LYS	1	0.912	0.968	61.245	0.010	0.010	0.000	0.000	0.000	0.000
381	A	388	ALA	0	-0.018	-0.010	62.326	0.000	0.000	0.000	0.000	0.000	0.000
382	A	389	LEU	0	-0.040	-0.024	55.274	-0.001	-0.001	0.000	0.000	0.000	0.000
383	A	390	ARG	1	0.852	0.913	58.953	0.010	0.010	0.000	0.000	0.000	0.000
384	A	391	ASP	-1	-0.767	-0.885	60.676	-0.011	-0.011	0.000	0.000	0.000	0.000
385	A	392	ALA	0	-0.055	-0.037	59.280	0.000	0.000	0.000	0.000	0.000	0.000
386	A	393	ILE	0	-0.037	-0.025	55.589	-0.001	-0.001	0.000	0.000	0.000	0.000
387	A	394	ASP	-1	-0.913	-0.945	58.436	-0.011	-0.011	0.000	0.000	0.000	0.000
388	A	395	ALA	0	-0.026	-0.015	61.370	0.000	0.000	0.000	0.000	0.000	0.000
389	A	396	ALA	0	-0.026	-0.016	56.780	0.000	0.000	0.000	0.000	0.000	0.000
390	A	397	ILE	0	-0.065	-0.026	56.574	0.000	0.000	0.000	0.000	0.000	0.000
391	A	398	GLU	-1	-0.971	-0.984	58.787	-0.011	-0.011	0.000	0.000	0.000	0.000
392	A	399	GLY	0	-0.046	-0.008	60.851	0.000	0.000	0.000	0.000	0.000	0.000
393	A	400	VAL	0	-0.049	-0.019	61.767	0.000	0.000	0.000	0.000	0.000	0.000
394	A	401	ASP	-1	-0.879	-0.940	62.983	-0.016	-0.016	0.000	0.000	0.000	0.000
395	A	402	LEU	0	-0.004	-0.010	59.350	0.001	0.001	0.000	0.000	0.000	0.000
396	A	403	ASP	-1	-0.916	-0.964	63.753	-0.015	-0.015	0.000	0.000	0.000	0.000
397	A	404	GLU	-1	-0.883	-0.941	66.923	-0.012	-0.012	0.000	0.000	0.000	0.000
398	A	405	LYS	1	0.974	0.995	64.865	0.012	0.012	0.000	0.000	0.000	0.000
399	A	406	ALA	0	-0.031	-0.004	67.023	0.001	0.001	0.000	0.000	0.000	0.000
400	A	407	LYS	1	0.813	0.904	68.502	0.013	0.013	0.000	0.000	0.000	0.000
401	A	408	SER	0	-0.019	0.002	70.804	0.000	0.000	0.000	0.000	0.000	0.000
402	A	409	SER	0	-0.026	-0.027	67.601	0.000	0.000	0.000	0.000	0.000	0.000
403	A	410	PRO	0	0.001	-0.001	68.977	-0.001	-0.001	0.000	0.000	0.000	0.000
404	A	411	GLU	-1	-0.829	-0.916	66.503	-0.011	-0.011	0.000	0.000	0.000	0.000
405	A	412	LEU	0	0.067	0.033	62.342	-0.001	-0.001	0.000	0.000	0.000	0.000
406	A	413	LYS	1	0.949	0.979	65.362	0.011	0.011	0.000	0.000	0.000	0.000
407	A	414	LYS	1	0.815	0.914	67.462	0.011	0.011	0.000	0.000	0.000	0.000
408	A	415	SER	0	0.021	0.012	61.479	0.000	0.000	0.000	0.000	0.000	0.000
409	A	416	LEU	0	0.009	0.004	61.843	-0.001	-0.001	0.000	0.000	0.000	0.000
410	A	417	ARG	1	0.938	0.961	63.807	0.013	0.013	0.000	0.000	0.000	0.000
411	A	418	GLU	-1	-0.947	-0.974	62.757	-0.017	-0.017	0.000	0.000	0.000	0.000
412	A	419	VAL	0	0.052	0.029	59.003	-0.001	-0.001	0.000	0.000	0.000	0.000
413	A	420	GLY	0	-0.047	-0.021	61.202	-0.001	-0.001	0.000	0.000	0.000	0.000
414	A	421	LEU	0	-0.088	-0.051	63.214	0.000	0.000	0.000	0.000	0.000	0.000
415	A	422	SER	0	0.010	0.024	60.219	0.000	0.000	0.000	0.000	0.000	0.000
416	A	423	LYS	1	0.882	0.954	58.058	0.021	0.021	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:8:VAL)