FMO DATABASE

FMODB ID: 167GZ

Calculation Name: 1AL0-F-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1AL0

Chain ID: F

ChEMBL ID:

UniProt ID: P03641

Base Structure: X-ray

Registration Date: 2023-09-27

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	418
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7056552.579776
FMO2-HF: Nuclear repulsion	6890000.902755
FMO2-HF: Total energy	-166551.677022
FMO2-MP2: Total energy	-167039.598767

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(F:4:GLN)

Summations of interaction energy for fragment #1(F:4:GLN)

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.
-22.051	-36.944	4.931	25.735	-15.773	-0.01

Interaction energy analysis for fragmet #1(F:4:GLN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.198 / q_NPA : -0.235

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	F	6	GLY	0	0.225	-0.196	2.074	-5.925	-21.180	1.811	24.298	-10.854	-0.025
4	F	7	ALA	0	-0.074	-0.204	3.087	-0.570	-2.097	-0.011	3.318	-1.779	0.001
5	F	8	GLU	-1	-0.991	-0.975	2.422	-11.507	-9.861	3.132	-1.864	-2.915	0.014
6	F	9	ARG	1	0.914	0.971	4.116	-4.783	-4.540	-0.001	-0.017	-0.225	0.000
7	F	10	MET	0	0.053	0.026	6.460	-0.625	-0.625	0.000	0.000	0.000	0.000
8	F	11	PRO	0	-0.042	-0.027	9.952	0.206	0.206	0.000	0.000	0.000	0.000
9	F	12	HIS	0	-0.024	-0.022	10.981	-0.290	-0.290	0.000	0.000	0.000	0.000
10	F	13	ASP	-1	-0.817	-0.889	15.577	0.340	0.340	0.000	0.000	0.000	0.000
11	F	14	LEU	0	-0.037	-0.009	17.733	-0.028	-0.028	0.000	0.000	0.000	0.000
12	F	15	SER	0	0.000	-0.035	20.928	-0.015	-0.015	0.000	0.000	0.000	0.000
13	F	16	HIS	0	-0.048	-0.019	23.936	-0.039	-0.039	0.000	0.000	0.000	0.000
14	F	17	LEU	0	-0.049	-0.028	27.335	0.006	0.006	0.000	0.000	0.000	0.000
15	F	18	GLY	0	0.061	0.021	30.995	-0.002	-0.002	0.000	0.000	0.000	0.000
16	F	19	PHE	0	-0.111	-0.048	32.806	0.001	0.001	0.000	0.000	0.000	0.000
17	F	20	LEU	0	0.049	0.029	34.219	-0.002	-0.002	0.000	0.000	0.000	0.000
18	F	21	ALA	0	-0.003	-0.029	37.383	-0.009	-0.009	0.000	0.000	0.000	0.000
19	F	22	GLY	0	-0.021	0.001	40.070	0.006	0.006	0.000	0.000	0.000	0.000
20	F	23	GLN	0	0.056	0.007	41.768	-0.009	-0.009	0.000	0.000	0.000	0.000
21	F	24	ILE	0	-0.015	-0.003	43.365	0.010	0.010	0.000	0.000	0.000	0.000
22	F	25	GLY	0	0.033	0.016	44.310	-0.005	-0.005	0.000	0.000	0.000	0.000
23	F	26	ARG	1	0.833	0.923	42.457	-0.143	-0.143	0.000	0.000	0.000	0.000
24	F	27	LEU	0	0.015	0.024	35.306	0.001	0.001	0.000	0.000	0.000	0.000
25	F	28	ILE	0	0.047	0.072	36.156	-0.001	-0.001	0.000	0.000	0.000	0.000
26	F	29	THR	0	-0.049	-0.071	31.643	0.011	0.011	0.000	0.000	0.000	0.000
27	F	30	ILE	0	-0.039	-0.023	31.426	-0.013	-0.013	0.000	0.000	0.000	0.000
28	F	31	SER	0	-0.001	0.009	26.843	-0.002	-0.002	0.000	0.000	0.000	0.000
29	F	32	THR	0	0.008	0.007	26.127	0.011	0.011	0.000	0.000	0.000	0.000
30	F	33	THR	0	-0.003	0.005	21.142	-0.020	-0.020	0.000	0.000	0.000	0.000
31	F	34	PRO	0	-0.013	-0.020	20.284	0.042	0.042	0.000	0.000	0.000	0.000
32	F	35	VAL	0	-0.037	-0.022	15.624	0.012	0.012	0.000	0.000	0.000	0.000
33	F	36	ILE	0	-0.037	-0.012	12.210	-0.118	-0.118	0.000	0.000	0.000	0.000
34	F	37	ALA	0	-0.050	-0.027	12.592	0.037	0.037	0.000	0.000	0.000	0.000
35	F	38	GLY	0	0.000	0.010	9.877	0.224	0.224	0.000	0.000	0.000	0.000
36	F	39	ASP	-1	-0.646	-0.840	9.529	1.916	1.916	0.000	0.000	0.000	0.000
37	F	40	SER	0	-0.076	-0.031	12.086	-0.052	-0.052	0.000	0.000	0.000	0.000
38	F	41	PHE	0	-0.048	-0.059	13.937	-0.139	-0.139	0.000	0.000	0.000	0.000
39	F	42	GLU	-1	-0.746	-0.853	16.862	0.712	0.712	0.000	0.000	0.000	0.000
40	F	43	MET	0	-0.017	-0.007	19.259	-0.042	-0.042	0.000	0.000	0.000	0.000
41	F	44	ASP	-1	-0.856	-0.934	22.895	0.376	0.376	0.000	0.000	0.000	0.000
42	F	45	ALA	0	-0.053	-0.022	25.986	-0.027	-0.027	0.000	0.000	0.000	0.000
43	F	46	VAL	0	0.017	0.008	29.072	-0.009	-0.009	0.000	0.000	0.000	0.000
44	F	47	GLY	0	-0.007	-0.005	32.224	-0.004	-0.004	0.000	0.000	0.000	0.000
45	F	48	ALA	0	-0.061	-0.022	35.429	-0.001	-0.001	0.000	0.000	0.000	0.000
46	F	49	LEU	0	0.016	0.023	39.074	0.002	0.002	0.000	0.000	0.000	0.000
47	F	50	ARG	1	0.896	0.948	40.910	-0.125	-0.125	0.000	0.000	0.000	0.000
48	F	51	LEU	0	0.043	0.028	44.445	0.005	0.005	0.000	0.000	0.000	0.000
49	F	52	SER	0	-0.033	-0.022	47.314	-0.003	-0.003	0.000	0.000	0.000	0.000
50	F	53	PRO	0	-0.035	-0.016	49.598	0.000	0.000	0.000	0.000	0.000	0.000
51	F	54	LEU	0	0.056	0.022	51.230	-0.001	-0.001	0.000	0.000	0.000	0.000
52	F	55	ARG	1	0.853	0.939	54.591	-0.081	-0.081	0.000	0.000	0.000	0.000
53	F	56	ARG	1	0.878	0.942	58.045	-0.080	-0.080	0.000	0.000	0.000	0.000
54	F	57	GLY	0	0.061	0.023	57.255	0.002	0.002	0.000	0.000	0.000	0.000
55	F	58	LEU	0	-0.026	-0.012	50.835	0.003	0.003	0.000	0.000	0.000	0.000
56	F	59	ALA	0	-0.060	-0.024	54.696	-0.002	-0.002	0.000	0.000	0.000	0.000
57	F	60	ILE	0	-0.015	-0.015	51.653	0.001	0.001	0.000	0.000	0.000	0.000
58	F	61	ASP	-1	-0.828	-0.882	47.650	0.125	0.125	0.000	0.000	0.000	0.000
59	F	62	SER	0	0.016	-0.009	45.389	0.002	0.002	0.000	0.000	0.000	0.000
60	F	63	THR	0	-0.040	-0.019	42.515	0.003	0.003	0.000	0.000	0.000	0.000
61	F	64	VAL	0	-0.029	-0.023	38.447	-0.002	-0.002	0.000	0.000	0.000	0.000
62	F	65	ASP	-1	-0.904	-0.943	36.675	0.239	0.239	0.000	0.000	0.000	0.000
63	F	66	ILE	0	0.001	0.003	31.813	-0.004	-0.004	0.000	0.000	0.000	0.000
64	F	67	PHE	0	-0.040	-0.038	31.308	0.008	0.008	0.000	0.000	0.000	0.000
65	F	68	THR	0	0.075	0.007	25.818	0.011	0.011	0.000	0.000	0.000	0.000
66	F	69	PHE	0	-0.098	-0.025	26.659	0.002	0.002	0.000	0.000	0.000	0.000
67	F	70	TYR	0	-0.013	-0.016	18.334	0.019	0.019	0.000	0.000	0.000	0.000
68	F	71	VAL	0	0.021	-0.005	23.779	-0.011	-0.011	0.000	0.000	0.000	0.000
69	F	72	PRO	0	-0.003	0.017	20.502	-0.006	-0.006	0.000	0.000	0.000	0.000
70	F	73	HIS	0	0.098	0.049	20.399	-0.076	-0.076	0.000	0.000	0.000	0.000
71	F	74	ARG	1	0.835	0.924	19.460	-0.718	-0.718	0.000	0.000	0.000	0.000
72	F	75	HIS	0	0.032	0.025	23.069	-0.061	-0.061	0.000	0.000	0.000	0.000
73	F	76	VAL	0	-0.024	-0.006	25.943	-0.036	-0.036	0.000	0.000	0.000	0.000
74	F	77	TYR	0	-0.038	-0.025	25.265	-0.045	-0.045	0.000	0.000	0.000	0.000
75	F	78	GLY	0	0.113	0.055	26.020	0.011	0.011	0.000	0.000	0.000	0.000
76	F	79	GLU	-1	-0.945	-1.011	25.030	0.303	0.303	0.000	0.000	0.000	0.000
77	F	80	GLN	0	-0.073	-0.024	25.940	-0.015	-0.015	0.000	0.000	0.000	0.000
78	F	81	TRP	0	0.030	-0.007	18.841	-0.032	-0.032	0.000	0.000	0.000	0.000
79	F	82	ILE	0	-0.011	0.017	20.464	0.018	0.018	0.000	0.000	0.000	0.000
80	F	83	LYS	1	0.962	0.988	21.203	-0.224	-0.224	0.000	0.000	0.000	0.000
81	F	84	PHE	0	0.041	0.019	20.926	-0.009	-0.009	0.000	0.000	0.000	0.000
82	F	85	MET	0	-0.015	-0.015	15.867	-0.013	-0.013	0.000	0.000	0.000	0.000
83	F	86	LYS	1	0.887	0.952	18.228	-0.372	-0.372	0.000	0.000	0.000	0.000
84	F	87	ASP	-1	-0.890	-0.953	19.491	0.150	0.150	0.000	0.000	0.000	0.000
85	F	88	GLY	0	-0.029	0.003	19.655	-0.042	-0.042	0.000	0.000	0.000	0.000
86	F	89	VAL	0	-0.046	-0.044	20.094	0.001	0.001	0.000	0.000	0.000	0.000
87	F	90	ASN	0	-0.026	-0.003	22.191	-0.025	-0.025	0.000	0.000	0.000	0.000
88	F	91	ALA	0	0.001	0.018	24.059	0.000	0.000	0.000	0.000	0.000	0.000
89	F	92	THR	0	-0.040	-0.037	25.778	-0.008	-0.008	0.000	0.000	0.000	0.000
90	F	93	PRO	0	0.051	0.013	27.265	0.024	0.024	0.000	0.000	0.000	0.000
91	F	94	LEU	0	-0.065	-0.012	24.263	0.009	0.009	0.000	0.000	0.000	0.000
92	F	95	PRO	0	-0.029	0.002	28.623	-0.010	-0.010	0.000	0.000	0.000	0.000
93	F	96	THR	0	-0.025	-0.015	30.911	0.010	0.010	0.000	0.000	0.000	0.000
94	F	97	VAL	0	0.004	0.011	33.267	-0.002	-0.002	0.000	0.000	0.000	0.000
95	F	98	ASN	0	-0.043	-0.031	35.975	-0.001	-0.001	0.000	0.000	0.000	0.000
96	F	99	THR	0	0.038	0.015	38.289	0.011	0.011	0.000	0.000	0.000	0.000
97	F	100	THR	0	0.033	0.016	40.506	-0.005	-0.005	0.000	0.000	0.000	0.000
98	F	101	GLY	0	0.035	0.025	43.429	0.002	0.002	0.000	0.000	0.000	0.000
99	F	102	TYR	0	-0.060	-0.019	43.911	-0.007	-0.007	0.000	0.000	0.000	0.000
100	F	103	ILE	0	0.014	-0.004	40.995	0.006	0.006	0.000	0.000	0.000	0.000
101	F	104	ASP	-1	-0.896	-0.933	40.577	0.134	0.134	0.000	0.000	0.000	0.000
102	F	105	HIS	0	0.082	-0.014	40.772	-0.005	-0.005	0.000	0.000	0.000	0.000
103	F	106	ALA	0	-0.005	0.029	35.958	0.004	0.004	0.000	0.000	0.000	0.000
104	F	107	ALA	0	0.019	0.009	36.352	0.013	0.013	0.000	0.000	0.000	0.000
105	F	108	PHE	0	0.007	0.015	36.760	0.013	0.013	0.000	0.000	0.000	0.000
106	F	109	LEU	0	-0.067	0.002	32.554	0.017	0.017	0.000	0.000	0.000	0.000
107	F	110	GLY	0	0.009	0.015	31.866	0.016	0.016	0.000	0.000	0.000	0.000
108	F	111	THR	0	-0.026	-0.014	31.083	0.009	0.009	0.000	0.000	0.000	0.000
109	F	112	ILE	0	-0.036	-0.012	33.631	-0.004	-0.004	0.000	0.000	0.000	0.000
110	F	113	ASN	0	0.020	-0.008	35.545	0.011	0.011	0.000	0.000	0.000	0.000
111	F	114	PRO	0	-0.013	0.008	34.019	-0.010	-0.010	0.000	0.000	0.000	0.000
112	F	115	ASP	-1	-0.811	-0.922	36.461	0.082	0.082	0.000	0.000	0.000	0.000
113	F	116	THR	0	-0.080	-0.035	36.834	-0.003	-0.003	0.000	0.000	0.000	0.000
114	F	117	ASN	0	-0.077	-0.023	38.992	0.002	0.002	0.000	0.000	0.000	0.000
115	F	118	LYS	1	0.934	0.956	34.568	-0.119	-0.119	0.000	0.000	0.000	0.000
116	F	119	ILE	0	0.077	0.047	32.051	0.004	0.004	0.000	0.000	0.000	0.000
117	F	120	PRO	0	-0.021	-0.006	28.168	-0.005	-0.005	0.000	0.000	0.000	0.000
118	F	121	LYS	1	1.022	1.006	30.288	-0.234	-0.234	0.000	0.000	0.000	0.000
119	F	122	HIS	0	0.013	0.014	25.378	0.001	0.001	0.000	0.000	0.000	0.000
120	F	123	LEU	0	0.034	0.013	28.169	0.015	0.015	0.000	0.000	0.000	0.000
121	F	124	PHE	0	0.040	0.019	29.728	0.000	0.000	0.000	0.000	0.000	0.000
122	F	125	GLN	0	0.010	-0.028	31.144	0.016	0.016	0.000	0.000	0.000	0.000
123	F	126	GLY	0	0.046	0.037	29.531	0.010	0.010	0.000	0.000	0.000	0.000
124	F	127	TYR	0	0.030	-0.033	30.329	0.002	0.002	0.000	0.000	0.000	0.000
125	F	128	LEU	0	-0.021	0.010	33.138	-0.004	-0.004	0.000	0.000	0.000	0.000
126	F	129	ASN	0	0.008	-0.004	30.228	-0.010	-0.010	0.000	0.000	0.000	0.000
127	F	130	ILE	0	-0.049	-0.017	29.547	0.012	0.012	0.000	0.000	0.000	0.000
128	F	131	TYR	0	-0.059	-0.027	33.233	-0.004	-0.004	0.000	0.000	0.000	0.000
129	F	132	ASN	0	0.080	0.042	36.106	-0.018	-0.018	0.000	0.000	0.000	0.000
130	F	133	ASN	0	-0.026	-0.028	32.881	-0.002	-0.002	0.000	0.000	0.000	0.000
131	F	134	TYR	0	-0.097	-0.054	29.415	0.001	0.001	0.000	0.000	0.000	0.000
132	F	135	PHE	0	-0.076	-0.023	34.614	-0.008	-0.008	0.000	0.000	0.000	0.000
133	F	136	LYS	1	0.919	0.996	39.023	-0.230	-0.230	0.000	0.000	0.000	0.000
134	F	137	ALA	0	-0.048	-0.047	41.298	0.008	0.008	0.000	0.000	0.000	0.000
135	F	138	PRO	0	0.027	-0.002	41.131	-0.002	-0.002	0.000	0.000	0.000	0.000
136	F	139	TRP	0	0.072	0.015	42.313	0.002	0.002	0.000	0.000	0.000	0.000
137	F	140	MET	0	-0.076	0.009	44.530	-0.004	-0.004	0.000	0.000	0.000	0.000
138	F	141	PRO	0	0.020	0.006	43.739	0.008	0.008	0.000	0.000	0.000	0.000
139	F	142	ASP	-1	-0.892	-0.951	38.586	0.233	0.233	0.000	0.000	0.000	0.000
140	F	143	ARG	1	0.773	0.842	40.097	-0.184	-0.184	0.000	0.000	0.000	0.000
141	F	144	THR	0	-0.031	-0.029	39.494	0.008	0.008	0.000	0.000	0.000	0.000
142	F	145	GLU	-1	-0.846	-0.912	39.647	0.162	0.162	0.000	0.000	0.000	0.000
143	F	146	ALA	0	-0.050	-0.017	38.872	0.013	0.013	0.000	0.000	0.000	0.000
144	F	147	ASN	0	-0.055	-0.035	38.028	0.016	0.016	0.000	0.000	0.000	0.000
145	F	148	PRO	0	0.028	0.010	37.590	-0.005	-0.005	0.000	0.000	0.000	0.000
146	F	149	ASN	0	-0.036	-0.029	40.523	-0.005	-0.005	0.000	0.000	0.000	0.000
147	F	150	GLU	-1	-0.860	-0.953	43.097	0.145	0.145	0.000	0.000	0.000	0.000
148	F	151	LEU	0	-0.024	0.022	40.202	0.001	0.001	0.000	0.000	0.000	0.000
149	F	152	ASN	0	-0.033	-0.011	44.744	-0.013	-0.013	0.000	0.000	0.000	0.000
150	F	153	GLN	0	0.072	0.014	45.897	0.005	0.005	0.000	0.000	0.000	0.000
151	F	154	ASP	-1	-0.861	-1.000	46.007	0.124	0.124	0.000	0.000	0.000	0.000
152	F	155	ASP	-1	-0.838	-0.929	43.675	0.161	0.161	0.000	0.000	0.000	0.000
153	F	156	ALA	0	0.005	0.028	41.390	0.009	0.009	0.000	0.000	0.000	0.000
154	F	157	ARG	0	-0.112	-0.011	40.984	0.005	0.005	0.000	0.000	0.000	0.000
155	F	158	TYR	0	-0.007	0.014	41.833	0.001	0.001	0.000	0.000	0.000	0.000
156	F	159	GLY	0	0.004	0.008	39.862	0.004	0.004	0.000	0.000	0.000	0.000
157	F	160	PHE	0	0.045	0.002	39.298	-0.006	-0.006	0.000	0.000	0.000	0.000
158	F	161	ARG	1	0.781	0.888	41.568	-0.131	-0.131	0.000	0.000	0.000	0.000
159	F	162	CYS	0	0.025	0.025	40.765	0.007	0.007	0.000	0.000	0.000	0.000
160	F	163	CYS	0	-0.006	-0.001	43.325	-0.008	-0.008	0.000	0.000	0.000	0.000
161	F	164	HIS	0	0.077	0.047	45.220	0.006	0.006	0.000	0.000	0.000	0.000
162	F	165	LEU	0	-0.045	-0.010	44.860	0.009	0.009	0.000	0.000	0.000	0.000
163	F	166	LYS	1	0.943	0.965	41.768	-0.214	-0.214	0.000	0.000	0.000	0.000
164	F	167	ASN	0	0.078	0.015	48.115	-0.003	-0.003	0.000	0.000	0.000	0.000
165	F	168	ILE	0	0.038	0.049	51.827	0.000	0.000	0.000	0.000	0.000	0.000
166	F	169	TRP	0	-0.030	-0.008	54.423	0.001	0.001	0.000	0.000	0.000	0.000
167	F	170	THR	0	-0.070	-0.050	50.041	0.000	0.000	0.000	0.000	0.000	0.000
168	F	171	ALA	0	-0.039	-0.026	48.402	0.007	0.007	0.000	0.000	0.000	0.000
169	F	172	PRO	0	-0.017	0.006	49.838	-0.001	-0.001	0.000	0.000	0.000	0.000
170	F	173	LEU	0	-0.025	-0.009	50.154	0.007	0.007	0.000	0.000	0.000	0.000
171	F	174	PRO	0	0.064	0.029	47.618	-0.004	-0.004	0.000	0.000	0.000	0.000
172	F	175	PRO	0	0.015	0.022	49.881	-0.004	-0.004	0.000	0.000	0.000	0.000
173	F	176	GLU	-1	-0.882	-0.962	48.451	0.154	0.154	0.000	0.000	0.000	0.000
174	F	177	THR	0	-0.090	-0.050	50.510	-0.005	-0.005	0.000	0.000	0.000	0.000
175	F	178	GLU	-1	-0.757	-0.865	52.729	0.126	0.126	0.000	0.000	0.000	0.000
176	F	179	LEU	0	-0.038	-0.019	55.375	0.001	0.001	0.000	0.000	0.000	0.000
177	F	180	SER	0	-0.069	-0.047	58.227	-0.005	-0.005	0.000	0.000	0.000	0.000
178	F	181	ARG	1	0.874	0.955	51.539	-0.135	-0.135	0.000	0.000	0.000	0.000
179	F	182	GLN	0	-0.049	-0.022	58.722	-0.003	-0.003	0.000	0.000	0.000	0.000
180	F	183	MET	0	0.014	0.030	60.096	0.004	0.004	0.000	0.000	0.000	0.000
181	F	184	THR	0	-0.041	-0.051	61.794	-0.002	-0.002	0.000	0.000	0.000	0.000
182	F	185	THR	0	-0.035	-0.003	63.942	-0.001	-0.001	0.000	0.000	0.000	0.000
183	F	186	SER	0	0.083	0.063	66.789	0.000	0.000	0.000	0.000	0.000	0.000
184	F	187	THR	0	0.015	-0.008	69.799	0.000	0.000	0.000	0.000	0.000	0.000
185	F	188	THR	0	-0.068	-0.055	73.254	-0.002	-0.002	0.000	0.000	0.000	0.000
186	F	189	SER	0	-0.009	0.015	70.743	-0.001	-0.001	0.000	0.000	0.000	0.000
187	F	190	ILE	0	0.050	0.020	65.457	0.001	0.001	0.000	0.000	0.000	0.000
188	F	191	ASP	-1	-0.886	-0.937	63.247	0.091	0.091	0.000	0.000	0.000	0.000
189	F	192	ILE	0	0.010	0.003	63.569	0.003	0.003	0.000	0.000	0.000	0.000
190	F	193	MET	0	0.008	-0.012	60.475	0.003	0.003	0.000	0.000	0.000	0.000
191	F	194	GLY	0	0.049	0.025	59.465	0.004	0.004	0.000	0.000	0.000	0.000
192	F	195	LEU	0	-0.001	-0.029	59.061	0.004	0.004	0.000	0.000	0.000	0.000
193	F	196	GLN	0	0.002	0.017	56.332	0.001	0.001	0.000	0.000	0.000	0.000
194	F	197	ALA	0	0.001	0.005	54.775	0.005	0.005	0.000	0.000	0.000	0.000
195	F	198	ALA	0	0.015	-0.008	54.284	0.005	0.005	0.000	0.000	0.000	0.000
196	F	199	TYR	0	-0.019	-0.006	55.224	0.002	0.002	0.000	0.000	0.000	0.000
197	F	200	ALA	0	-0.028	-0.008	51.099	0.005	0.005	0.000	0.000	0.000	0.000
198	F	201	ASN	0	0.010	-0.016	50.362	0.011	0.011	0.000	0.000	0.000	0.000
199	F	202	LEU	0	0.008	0.032	50.413	0.003	0.003	0.000	0.000	0.000	0.000
200	F	203	HIS	0	-0.014	-0.003	46.955	0.001	0.001	0.000	0.000	0.000	0.000
201	F	204	THR	0	-0.049	-0.047	45.801	0.006	0.006	0.000	0.000	0.000	0.000
202	F	205	ASP	-1	-0.856	-0.903	45.838	0.166	0.166	0.000	0.000	0.000	0.000
203	F	206	GLN	0	0.030	-0.013	46.395	0.000	0.000	0.000	0.000	0.000	0.000
204	F	207	GLU	-1	-0.929	-0.971	43.519	0.199	0.199	0.000	0.000	0.000	0.000
205	F	208	ARG	1	0.955	0.965	41.480	-0.185	-0.185	0.000	0.000	0.000	0.000
206	F	209	ASP	-1	-0.834	-0.912	42.106	0.186	0.186	0.000	0.000	0.000	0.000
207	F	210	TYR	0	-0.174	-0.080	43.532	0.000	0.000	0.000	0.000	0.000	0.000
208	F	211	PHE	0	-0.112	-0.077	40.663	0.008	0.008	0.000	0.000	0.000	0.000
209	F	212	MET	0	-0.101	0.100	37.636	0.011	0.011	0.000	0.000	0.000	0.000
210	F	213	GLN	0	0.014	-0.075	37.298	0.003	0.003	0.000	0.000	0.000	0.000
211	F	214	ARG	1	0.850	0.902	27.825	-0.413	-0.413	0.000	0.000	0.000	0.000
212	F	215	TYR	0	0.056	0.024	30.006	0.005	0.005	0.000	0.000	0.000	0.000
213	F	216	ARG	1	0.830	0.893	25.239	-0.499	-0.499	0.000	0.000	0.000	0.000
214	F	217	ASP	-1	-0.800	-0.897	31.048	0.329	0.329	0.000	0.000	0.000	0.000
215	F	218	VAL	0	0.045	0.049	34.124	-0.007	-0.007	0.000	0.000	0.000	0.000
216	F	219	ILE	0	0.002	0.007	30.974	-0.006	-0.006	0.000	0.000	0.000	0.000
217	F	220	SER	0	-0.076	-0.038	31.814	-0.003	-0.003	0.000	0.000	0.000	0.000
218	F	221	SER	0	-0.024	-0.008	33.052	-0.008	-0.008	0.000	0.000	0.000	0.000
219	F	222	PHE	0	-0.034	-0.029	35.259	-0.015	-0.015	0.000	0.000	0.000	0.000
220	F	223	GLY	0	-0.053	-0.012	33.540	-0.004	-0.004	0.000	0.000	0.000	0.000
221	F	224	GLY	0	0.001	0.003	30.548	0.003	0.003	0.000	0.000	0.000	0.000
222	F	225	LYS	1	0.922	0.943	25.503	-0.493	-0.493	0.000	0.000	0.000	0.000
223	F	226	THR	0	0.022	0.003	25.781	0.004	0.004	0.000	0.000	0.000	0.000
224	F	227	SER	0	0.012	0.016	21.936	0.002	0.002	0.000	0.000	0.000	0.000
225	F	228	TYR	0	-0.004	0.002	23.814	0.019	0.019	0.000	0.000	0.000	0.000
226	F	229	ASP	-1	-0.812	-0.946	22.429	0.616	0.616	0.000	0.000	0.000	0.000
227	F	230	ALA	0	0.010	0.031	25.405	-0.010	-0.010	0.000	0.000	0.000	0.000
228	F	231	ASP	-1	-0.822	-0.902	28.254	0.398	0.398	0.000	0.000	0.000	0.000
229	F	232	ASN	0	-0.025	-0.050	27.741	0.003	0.003	0.000	0.000	0.000	0.000
230	F	233	ARG	1	0.901	0.976	28.761	-0.367	-0.367	0.000	0.000	0.000	0.000
231	F	234	PRO	0	0.024	0.028	26.579	0.041	0.041	0.000	0.000	0.000	0.000
232	F	235	LEU	0	-0.016	-0.018	21.830	-0.013	-0.013	0.000	0.000	0.000	0.000
233	F	236	LEU	0	0.002	-0.011	26.131	-0.004	-0.004	0.000	0.000	0.000	0.000
234	F	237	VAL	0	-0.051	-0.030	22.823	-0.014	-0.014	0.000	0.000	0.000	0.000
235	F	238	MET	0	-0.042	0.010	25.339	-0.008	-0.008	0.000	0.000	0.000	0.000
236	F	239	ARG	1	0.953	0.998	27.710	-0.295	-0.295	0.000	0.000	0.000	0.000
237	F	240	SER	0	0.034	0.024	31.325	0.003	0.003	0.000	0.000	0.000	0.000
238	F	241	ASN	0	-0.076	-0.049	33.654	-0.010	-0.010	0.000	0.000	0.000	0.000
239	F	242	LEU	0	0.054	0.037	36.450	-0.002	-0.002	0.000	0.000	0.000	0.000
240	F	243	TRP	0	0.018	0.018	39.873	0.000	0.000	0.000	0.000	0.000	0.000
241	F	244	ALA	0	-0.068	-0.046	42.600	-0.001	-0.001	0.000	0.000	0.000	0.000
242	F	245	SER	0	0.015	-0.025	44.197	-0.006	-0.006	0.000	0.000	0.000	0.000
243	F	246	GLY	0	-0.029	-0.029	46.819	0.002	0.002	0.000	0.000	0.000	0.000
244	F	247	TYR	0	-0.060	-0.050	49.289	-0.001	-0.001	0.000	0.000	0.000	0.000
245	F	248	ASP	-1	-0.727	-0.880	51.966	0.089	0.089	0.000	0.000	0.000	0.000
246	F	249	VAL	0	-0.110	-0.025	54.353	-0.001	-0.001	0.000	0.000	0.000	0.000
247	F	250	ASP	-1	-0.862	-0.952	56.885	0.069	0.069	0.000	0.000	0.000	0.000
248	F	251	GLY	0	0.015	0.014	60.514	-0.001	-0.001	0.000	0.000	0.000	0.000
249	F	252	THR	0	-0.022	-0.034	62.692	-0.001	-0.001	0.000	0.000	0.000	0.000
250	F	253	ASP	-1	-0.859	-0.914	65.238	0.049	0.049	0.000	0.000	0.000	0.000
251	F	254	GLN	0	-0.021	-0.026	67.881	0.001	0.001	0.000	0.000	0.000	0.000
252	F	255	THR	0	-0.073	-0.028	68.760	0.000	0.000	0.000	0.000	0.000	0.000
253	F	256	SER	0	0.026	0.010	65.541	0.002	0.002	0.000	0.000	0.000	0.000
254	F	257	LEU	0	-0.014	0.006	66.291	-0.001	-0.001	0.000	0.000	0.000	0.000
255	F	258	GLY	0	-0.056	-0.028	65.206	0.002	0.002	0.000	0.000	0.000	0.000
256	F	259	GLN	0	-0.053	-0.024	63.115	0.000	0.000	0.000	0.000	0.000	0.000
257	F	260	PHE	0	0.011	0.022	59.262	0.000	0.000	0.000	0.000	0.000	0.000
258	F	261	SER	0	-0.052	-0.014	55.725	0.001	0.001	0.000	0.000	0.000	0.000
259	F	262	GLY	0	0.142	0.068	54.026	0.001	0.001	0.000	0.000	0.000	0.000
260	F	263	ARG	1	0.786	0.914	47.113	-0.091	-0.091	0.000	0.000	0.000	0.000
261	F	264	VAL	0	0.101	0.051	46.087	0.001	0.001	0.000	0.000	0.000	0.000
262	F	265	GLN	0	-0.050	-0.055	44.141	-0.006	-0.006	0.000	0.000	0.000	0.000
263	F	266	GLN	0	0.059	0.069	41.487	-0.003	-0.003	0.000	0.000	0.000	0.000
264	F	267	THR	0	0.008	0.008	38.103	0.004	0.004	0.000	0.000	0.000	0.000
265	F	268	TYR	0	-0.008	-0.012	33.593	-0.004	-0.004	0.000	0.000	0.000	0.000
266	F	269	LYS	1	0.954	0.964	31.280	-0.214	-0.214	0.000	0.000	0.000	0.000
267	F	270	HIS	0	-0.030	-0.030	28.628	0.013	0.013	0.000	0.000	0.000	0.000
268	F	271	SER	0	0.027	0.019	26.212	-0.006	-0.006	0.000	0.000	0.000	0.000
269	F	272	VAL	0	-0.001	-0.007	22.200	0.001	0.001	0.000	0.000	0.000	0.000
270	F	273	PRO	0	-0.002	-0.009	21.845	0.017	0.017	0.000	0.000	0.000	0.000
271	F	274	ARG	1	0.858	0.928	14.586	-0.793	-0.793	0.000	0.000	0.000	0.000
272	F	275	PHE	0	0.042	0.046	17.811	0.013	0.013	0.000	0.000	0.000	0.000
273	F	276	PHE	0	-0.045	-0.027	10.077	0.070	0.070	0.000	0.000	0.000	0.000
274	F	277	VAL	0	-0.009	-0.006	14.104	-0.142	-0.142	0.000	0.000	0.000	0.000
275	F	278	PRO	0	-0.014	0.000	13.960	0.152	0.152	0.000	0.000	0.000	0.000
276	F	279	GLU	-1	-0.818	-0.907	13.588	0.926	0.926	0.000	0.000	0.000	0.000
277	F	280	HIS	0	0.051	0.022	14.601	-0.039	-0.039	0.000	0.000	0.000	0.000
278	F	281	GLY	0	-0.003	-0.039	17.304	-0.051	-0.051	0.000	0.000	0.000	0.000
279	F	282	THR	0	-0.038	-0.003	20.154	0.005	0.005	0.000	0.000	0.000	0.000
280	F	283	MET	0	-0.028	0.001	20.051	0.014	0.014	0.000	0.000	0.000	0.000
281	F	284	PHE	0	-0.001	0.016	23.507	-0.026	-0.026	0.000	0.000	0.000	0.000
282	F	285	THR	0	0.109	0.044	26.726	0.012	0.012	0.000	0.000	0.000	0.000
283	F	286	LEU	0	-0.039	-0.029	28.913	-0.001	-0.001	0.000	0.000	0.000	0.000
284	F	287	ALA	0	0.004	0.008	32.750	0.008	0.008	0.000	0.000	0.000	0.000
285	F	288	LEU	0	-0.023	-0.014	35.734	-0.006	-0.006	0.000	0.000	0.000	0.000
286	F	289	VAL	0	0.028	0.021	39.199	0.002	0.002	0.000	0.000	0.000	0.000
287	F	290	ARG	1	0.946	0.961	40.030	-0.208	-0.208	0.000	0.000	0.000	0.000
288	F	291	PHE	0	0.055	0.041	45.330	0.002	0.002	0.000	0.000	0.000	0.000
289	F	292	PRO	0	-0.026	-0.015	48.571	0.003	0.003	0.000	0.000	0.000	0.000
290	F	293	PRO	0	0.009	0.008	49.775	-0.004	-0.004	0.000	0.000	0.000	0.000
291	F	294	THR	0	0.056	0.013	52.716	-0.002	-0.002	0.000	0.000	0.000	0.000
292	F	295	ALA	0	0.033	-0.009	56.095	-0.002	-0.002	0.000	0.000	0.000	0.000
293	F	296	THR	0	-0.033	-0.011	59.206	-0.001	-0.001	0.000	0.000	0.000	0.000
294	F	297	LYS	1	0.880	0.922	61.979	-0.085	-0.085	0.000	0.000	0.000	0.000
295	F	298	GLU	-1	-0.824	-0.852	57.930	0.115	0.115	0.000	0.000	0.000	0.000
296	F	299	ILE	0	-0.045	-0.035	62.019	-0.003	-0.003	0.000	0.000	0.000	0.000
297	F	300	GLN	0	0.011	0.009	62.758	0.005	0.005	0.000	0.000	0.000	0.000
298	F	301	TYR	0	0.085	0.039	62.298	-0.003	-0.003	0.000	0.000	0.000	0.000
299	F	302	LEU	0	-0.004	-0.005	64.251	-0.003	-0.003	0.000	0.000	0.000	0.000
300	F	303	ASN	0	-0.056	-0.042	66.873	-0.001	-0.001	0.000	0.000	0.000	0.000
301	F	304	ALA	0	-0.022	-0.021	66.971	-0.003	-0.003	0.000	0.000	0.000	0.000
302	F	305	LYS	1	0.877	0.981	67.112	-0.088	-0.088	0.000	0.000	0.000	0.000
303	F	306	GLY	0	0.002	0.005	68.792	-0.002	-0.002	0.000	0.000	0.000	0.000
304	F	307	ALA	0	-0.019	-0.023	72.225	0.001	0.001	0.000	0.000	0.000	0.000
305	F	308	LEU	0	-0.038	-0.014	69.324	0.002	0.002	0.000	0.000	0.000	0.000
306	F	309	THR	0	-0.019	-0.004	70.621	-0.002	-0.002	0.000	0.000	0.000	0.000
307	F	310	TYR	0	-0.005	-0.008	69.365	0.001	0.001	0.000	0.000	0.000	0.000
308	F	311	THR	0	0.034	0.000	65.965	0.001	0.001	0.000	0.000	0.000	0.000
309	F	312	ASP	-1	-0.770	-0.902	65.464	0.093	0.093	0.000	0.000	0.000	0.000
310	F	313	ILE	0	-0.014	-0.021	65.799	0.002	0.002	0.000	0.000	0.000	0.000
311	F	314	ALA	0	-0.013	0.020	67.141	0.001	0.001	0.000	0.000	0.000	0.000
312	F	315	GLY	0	0.037	0.008	63.148	0.000	0.000	0.000	0.000	0.000	0.000
313	F	316	ASP	-1	-0.860	-0.955	62.936	0.095	0.095	0.000	0.000	0.000	0.000
314	F	317	PRO	0	0.001	0.005	60.264	0.001	0.001	0.000	0.000	0.000	0.000
315	F	318	VAL	0	0.051	0.026	60.539	0.003	0.003	0.000	0.000	0.000	0.000
316	F	319	LEU	0	-0.020	-0.008	61.905	0.002	0.002	0.000	0.000	0.000	0.000
317	F	320	TYR	0	-0.029	0.016	59.198	0.002	0.002	0.000	0.000	0.000	0.000
318	F	321	GLY	0	-0.032	0.001	57.625	0.005	0.005	0.000	0.000	0.000	0.000
319	F	322	ASN	0	-0.106	-0.040	57.607	0.006	0.006	0.000	0.000	0.000	0.000
320	F	323	LEU	0	0.001	-0.011	59.159	-0.005	-0.005	0.000	0.000	0.000	0.000
321	F	324	PRO	0	-0.009	0.005	57.572	0.004	0.004	0.000	0.000	0.000	0.000
322	F	325	PRO	0	-0.025	-0.020	55.051	-0.002	-0.002	0.000	0.000	0.000	0.000
323	F	326	ARG	1	0.825	0.906	57.837	-0.104	-0.104	0.000	0.000	0.000	0.000
324	F	327	GLU	-1	-0.920	-0.976	59.546	0.108	0.108	0.000	0.000	0.000	0.000
325	F	328	ILE	0	-0.047	-0.011	59.550	-0.003	-0.003	0.000	0.000	0.000	0.000
326	F	329	SER	0	0.025	0.012	61.539	0.001	0.001	0.000	0.000	0.000	0.000
327	F	330	MET	0	0.041	0.020	58.058	0.000	0.000	0.000	0.000	0.000	0.000
328	F	331	LYS	1	0.911	0.959	62.289	-0.079	-0.079	0.000	0.000	0.000	0.000
329	F	332	ASP	-1	-0.869	-0.928	64.111	0.090	0.090	0.000	0.000	0.000	0.000
330	F	333	VAL	0	-0.045	-0.040	60.016	0.001	0.001	0.000	0.000	0.000	0.000
331	F	334	PHE	0	0.043	0.028	58.022	0.001	0.001	0.000	0.000	0.000	0.000
332	F	335	ARG	1	0.965	0.992	63.992	-0.077	-0.077	0.000	0.000	0.000	0.000
333	F	336	SER	0	-0.096	-0.071	65.982	0.000	0.000	0.000	0.000	0.000	0.000
334	F	337	GLY	0	0.072	0.052	64.360	0.001	0.001	0.000	0.000	0.000	0.000
335	F	338	ASP	-1	-0.824	-0.914	63.699	0.087	0.087	0.000	0.000	0.000	0.000
336	F	339	SER	0	0.020	-0.013	64.346	0.002	0.002	0.000	0.000	0.000	0.000
337	F	340	SER	0	-0.066	-0.042	64.823	0.002	0.002	0.000	0.000	0.000	0.000
338	F	341	LYS	1	0.830	0.968	59.916	-0.099	-0.099	0.000	0.000	0.000	0.000
339	F	342	LYS	1	0.958	0.977	60.816	-0.094	-0.094	0.000	0.000	0.000	0.000
340	F	343	PHE	0	-0.012	-0.014	55.749	0.003	0.003	0.000	0.000	0.000	0.000
341	F	344	LYS	1	0.887	0.959	54.839	-0.132	-0.132	0.000	0.000	0.000	0.000
342	F	345	ILE	0	-0.022	-0.010	55.084	0.005	0.005	0.000	0.000	0.000	0.000
343	F	346	ALA	0	0.042	0.016	53.447	-0.003	-0.003	0.000	0.000	0.000	0.000
344	F	347	GLU	-1	-0.772	-0.872	55.540	0.102	0.102	0.000	0.000	0.000	0.000
345	F	348	GLY	0	0.056	-0.007	57.902	0.002	0.002	0.000	0.000	0.000	0.000
346	F	349	GLN	0	-0.026	-0.013	52.347	-0.002	-0.002	0.000	0.000	0.000	0.000
347	F	350	TRP	0	-0.005	-0.002	57.056	0.001	0.001	0.000	0.000	0.000	0.000
348	F	351	TYR	0	-0.041	-0.017	59.577	-0.001	-0.001	0.000	0.000	0.000	0.000
349	F	352	ARG	1	0.884	0.956	52.745	-0.136	-0.136	0.000	0.000	0.000	0.000
350	F	353	TYR	0	-0.062	-0.047	54.262	0.006	0.006	0.000	0.000	0.000	0.000
351	F	354	ALA	0	0.028	0.016	56.011	-0.005	-0.005	0.000	0.000	0.000	0.000
352	F	355	PRO	0	-0.016	0.003	56.696	0.003	0.003	0.000	0.000	0.000	0.000
353	F	356	SER	0	0.040	0.001	55.894	0.005	0.005	0.000	0.000	0.000	0.000
354	F	357	TYR	0	-0.074	-0.014	58.338	-0.002	-0.002	0.000	0.000	0.000	0.000
355	F	358	VAL	0	0.033	0.038	59.434	0.000	0.000	0.000	0.000	0.000	0.000
356	F	359	SER	0	0.001	0.001	62.155	-0.002	-0.002	0.000	0.000	0.000	0.000
357	F	360	PRO	0	0.060	-0.004	65.453	0.001	0.001	0.000	0.000	0.000	0.000
358	F	361	ALA	0	-0.044	-0.020	67.565	-0.001	-0.001	0.000	0.000	0.000	0.000
359	F	362	TYR	0	0.016	0.003	62.589	-0.001	-0.001	0.000	0.000	0.000	0.000
360	F	363	HIS	0	0.001	-0.015	64.292	0.002	0.002	0.000	0.000	0.000	0.000
361	F	364	LEU	0	0.013	0.021	64.922	-0.003	-0.003	0.000	0.000	0.000	0.000
362	F	365	LEU	0	-0.072	-0.008	64.113	-0.002	-0.002	0.000	0.000	0.000	0.000
363	F	366	GLU	-1	-0.871	-0.973	61.966	0.075	0.075	0.000	0.000	0.000	0.000
364	F	367	GLY	0	-0.012	0.006	58.763	0.003	0.003	0.000	0.000	0.000	0.000
365	F	368	PHE	0	0.044	-0.010	57.737	-0.002	-0.002	0.000	0.000	0.000	0.000
366	F	369	PRO	0	0.004	0.026	52.909	-0.001	-0.001	0.000	0.000	0.000	0.000
367	F	370	PHE	0	-0.018	-0.010	54.281	0.002	0.002	0.000	0.000	0.000	0.000
368	F	371	ILE	0	-0.001	0.008	54.179	0.004	0.004	0.000	0.000	0.000	0.000
369	F	372	GLN	0	-0.043	-0.044	57.128	-0.003	-0.003	0.000	0.000	0.000	0.000
370	F	373	GLU	-1	-0.919	-0.948	60.850	0.082	0.082	0.000	0.000	0.000	0.000
371	F	374	PRO	0	-0.062	0.002	59.617	0.003	0.003	0.000	0.000	0.000	0.000
372	F	375	PRO	0	0.070	0.024	55.817	-0.002	-0.002	0.000	0.000	0.000	0.000
373	F	376	SER	0	-0.009	-0.004	58.303	-0.002	-0.002	0.000	0.000	0.000	0.000
374	F	377	GLY	0	0.053	-0.004	57.442	0.001	0.001	0.000	0.000	0.000	0.000
375	F	378	ASP	-1	-0.892	-0.966	53.685	0.126	0.126	0.000	0.000	0.000	0.000
376	F	379	LEU	0	0.088	0.018	51.547	0.001	0.001	0.000	0.000	0.000	0.000
377	F	380	GLN	0	-0.087	-0.021	48.403	0.010	0.010	0.000	0.000	0.000	0.000
378	F	381	GLU	-1	-0.766	-0.885	50.750	0.128	0.128	0.000	0.000	0.000	0.000
379	F	382	ARG	1	0.816	0.933	53.010	-0.119	-0.119	0.000	0.000	0.000	0.000
380	F	383	VAL	0	-0.012	-0.027	48.082	0.000	0.000	0.000	0.000	0.000	0.000
381	F	384	LEU	0	-0.016	-0.003	45.740	0.006	0.006	0.000	0.000	0.000	0.000
382	F	385	ILE	0	-0.014	0.005	45.927	-0.007	-0.007	0.000	0.000	0.000	0.000
383	F	386	ARG	1	0.823	0.918	48.986	-0.106	-0.106	0.000	0.000	0.000	0.000
384	F	387	HIS	0	-0.066	-0.051	47.838	0.000	0.000	0.000	0.000	0.000	0.000
385	F	388	HIS	0	0.139	0.075	49.660	-0.002	-0.002	0.000	0.000	0.000	0.000
386	F	389	ASP	-1	-0.836	-0.894	53.102	0.110	0.110	0.000	0.000	0.000	0.000
387	F	390	TYR	0	-0.036	-0.029	50.733	0.001	0.001	0.000	0.000	0.000	0.000
388	F	391	ASP	-1	-0.848	-0.929	52.558	0.104	0.104	0.000	0.000	0.000	0.000
389	F	392	GLN	0	-0.067	-0.029	54.609	-0.005	-0.005	0.000	0.000	0.000	0.000
390	F	393	CYS	0	-0.145	-0.067	53.972	-0.003	-0.003	0.000	0.000	0.000	0.000
391	F	394	PHE	0	0.041	0.018	49.952	0.003	0.003	0.000	0.000	0.000	0.000
392	F	395	GLN	0	-0.006	-0.011	54.370	-0.004	-0.004	0.000	0.000	0.000	0.000
393	F	396	SER	0	-0.006	-0.013	52.613	-0.003	-0.003	0.000	0.000	0.000	0.000
394	F	397	VAL	0	0.023	0.024	49.949	0.003	0.003	0.000	0.000	0.000	0.000
395	F	398	GLN	0	0.008	0.007	49.717	0.004	0.004	0.000	0.000	0.000	0.000
396	F	399	LEU	0	-0.080	-0.028	43.990	0.001	0.001	0.000	0.000	0.000	0.000
397	F	400	LEU	0	0.017	0.006	43.554	0.006	0.006	0.000	0.000	0.000	0.000
398	F	401	GLN	0	0.063	0.042	46.749	0.000	0.000	0.000	0.000	0.000	0.000
399	F	402	TRP	0	-0.028	0.000	37.679	0.000	0.000	0.000	0.000	0.000	0.000
400	F	403	ASN	0	0.024	0.028	42.375	0.002	0.002	0.000	0.000	0.000	0.000
401	F	404	SER	0	0.053	-0.014	37.846	0.007	0.007	0.000	0.000	0.000	0.000
402	F	405	GLN	0	-0.039	-0.004	37.606	0.000	0.000	0.000	0.000	0.000	0.000
403	F	406	VAL	0	0.001	-0.005	31.661	0.001	0.001	0.000	0.000	0.000	0.000
404	F	407	LYS	1	0.908	0.942	31.077	-0.151	-0.151	0.000	0.000	0.000	0.000
405	F	408	PHE	0	0.023	0.013	26.442	0.007	0.007	0.000	0.000	0.000	0.000
406	F	409	ASN	0	0.017	0.009	24.611	-0.004	-0.004	0.000	0.000	0.000	0.000
407	F	410	VAL	0	-0.008	-0.002	20.091	0.025	0.025	0.000	0.000	0.000	0.000
408	F	411	THR	0	0.040	0.045	17.311	-0.026	-0.026	0.000	0.000	0.000	0.000
409	F	412	VAL	0	-0.002	-0.013	14.079	0.080	0.080	0.000	0.000	0.000	0.000
410	F	413	TYR	0	-0.070	-0.040	10.673	-0.058	-0.058	0.000	0.000	0.000	0.000
411	F	414	ARG	1	0.843	0.952	9.739	-0.726	-0.726	0.000	0.000	0.000	0.000
412	F	415	ASN	0	0.040	-0.011	5.879	-0.047	-0.047	0.000	0.000	0.000	0.000
413	F	416	LEU	0	-0.045	0.004	8.011	-0.039	-0.039	0.000	0.000	0.000	0.000
414	F	417	PRO	0	0.026	-0.001	9.142	-0.039	-0.039	0.000	0.000	0.000	0.000
415	F	418	THR	0	-0.007	0.003	10.119	0.048	0.048	0.000	0.000	0.000	0.000
416	F	419	THR	0	-0.009	-0.012	12.694	-0.019	-0.019	0.000	0.000	0.000	0.000
417	F	420	ARG	1	0.845	0.929	13.948	0.756	0.756	0.000	0.000	0.000	0.000
418	F	421	ASP	-1	-0.828	-0.910	14.311	-0.411	-0.411	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(F:4:GLN)