FMO DATABASE

FMODB ID: YV3Z2

Calculation Name: 2A1S-A-Xray372

Preferred Name: Poly(A)-specific ribonuclease PARN

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 2A1S

Chain ID: A

ChEMBL ID: CHEMBL3616362

UniProt ID: O95453

Base Structure: X-ray

Registration Date: 2023-09-24

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	396
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6506034.109203
FMO2-HF: Nuclear repulsion	6344020.344212
FMO2-HF: Total energy	-162013.764991
FMO2-MP2: Total energy	-162485.304565

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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

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

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

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-8.578	-4.459	22.284	-9.695	-16.707	-0.039

Interaction energy analysis for fragmet #1(A:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.025 / q_NPA : 0.014

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	3	ILE	0	-0.044	-0.028	2.937	-1.687	1.941	0.081	-1.559	-2.150	0.008
4	A	4	ILE	0	0.052	0.019	5.243	0.104	0.170	-0.001	-0.004	-0.061	0.000
5	A	5	ARG	1	0.928	0.948	8.829	0.522	0.522	0.000	0.000	0.000	0.000
6	A	6	SER	0	-0.071	-0.032	10.749	0.080	0.080	0.000	0.000	0.000	0.000
7	A	7	ASN	0	0.010	-0.001	4.429	0.160	0.274	-0.001	-0.005	-0.108	0.000
8	A	8	PHE	0	0.018	0.031	6.155	0.050	0.050	0.000	0.000	0.000	0.000
9	A	9	LYS	1	0.847	0.910	7.476	0.165	0.165	0.000	0.000	0.000	0.000
10	A	10	SER	0	-0.046	-0.013	6.578	0.135	0.135	0.000	0.000	0.000	0.000
11	A	11	ASN	0	0.038	-0.001	2.414	-0.699	-0.541	3.088	-1.047	-2.199	-0.015
12	A	12	LEU	0	0.020	0.021	4.632	0.331	0.417	-0.001	-0.004	-0.081	0.000
13	A	13	HIS	0	0.005	0.003	6.139	0.315	0.315	0.000	0.000	0.000	0.000
14	A	14	LYS	1	0.932	0.971	2.121	-2.712	-2.326	1.851	-0.445	-1.791	0.003
15	A	15	VAL	0	-0.006	0.013	5.246	0.203	0.203	0.000	0.000	0.000	0.000
16	A	16	TYR	0	0.006	-0.019	7.207	-0.135	-0.135	0.000	0.000	0.000	0.000
17	A	17	GLN	0	-0.033	-0.004	8.898	0.067	0.067	0.000	0.000	0.000	0.000
18	A	18	ALA	0	-0.016	-0.010	7.818	-0.061	-0.061	0.000	0.000	0.000	0.000
19	A	19	ILE	0	-0.023	-0.018	9.941	-0.193	-0.193	0.000	0.000	0.000	0.000
20	A	20	GLU	-1	-0.979	-0.994	12.438	0.363	0.363	0.000	0.000	0.000	0.000
21	A	21	GLU	-1	-0.872	-0.951	12.241	1.023	1.023	0.000	0.000	0.000	0.000
22	A	22	ALA	0	-0.064	-0.007	12.859	-0.042	-0.042	0.000	0.000	0.000	0.000
23	A	23	ASP	-1	-0.857	-0.942	14.803	0.286	0.286	0.000	0.000	0.000	0.000
24	A	24	PHE	0	-0.096	-0.062	15.361	-0.045	-0.045	0.000	0.000	0.000	0.000
25	A	25	PHE	0	0.007	-0.002	12.134	0.062	0.062	0.000	0.000	0.000	0.000
26	A	26	ALA	0	0.004	0.023	11.716	0.000	0.000	0.000	0.000	0.000	0.000
27	A	27	ILE	0	-0.049	-0.038	10.905	-0.084	-0.084	0.000	0.000	0.000	0.000
28	A	28	ASP	-1	-0.825	-0.926	11.690	-0.565	-0.565	0.000	0.000	0.000	0.000
29	A	29	GLY	0	-0.001	0.007	12.059	-0.153	-0.153	0.000	0.000	0.000	0.000
30	A	30	GLU	-1	-0.835	-0.905	13.125	-0.641	-0.641	0.000	0.000	0.000	0.000
31	A	31	PHE	0	-0.042	-0.045	15.472	-0.001	-0.001	0.000	0.000	0.000	0.000
32	A	32	SER	0	-0.062	-0.047	18.812	-0.007	-0.007	0.000	0.000	0.000	0.000
33	A	33	GLY	0	0.028	-0.023	21.099	0.031	0.031	0.000	0.000	0.000	0.000
34	A	34	ILE	0	-0.011	0.003	21.927	-0.009	-0.009	0.000	0.000	0.000	0.000
35	A	35	SER	0	0.011	-0.008	24.887	0.016	0.016	0.000	0.000	0.000	0.000
36	A	36	ASP	-1	-0.955	-0.951	28.532	-0.161	-0.161	0.000	0.000	0.000	0.000
37	A	46	GLY	0	0.002	-0.015	38.220	-0.003	-0.003	0.000	0.000	0.000	0.000
38	A	47	PHE	0	-0.060	-0.032	39.132	0.001	0.001	0.000	0.000	0.000	0.000
39	A	48	ASP	-1	-0.810	-0.881	37.161	-0.092	-0.092	0.000	0.000	0.000	0.000
40	A	49	THR	0	0.023	0.001	38.483	0.000	0.000	0.000	0.000	0.000	0.000
41	A	50	PRO	0	0.008	-0.020	34.502	-0.005	-0.005	0.000	0.000	0.000	0.000
42	A	51	GLU	-1	-0.766	-0.877	34.516	-0.085	-0.085	0.000	0.000	0.000	0.000
43	A	52	GLU	-1	-0.842	-0.923	36.245	-0.079	-0.079	0.000	0.000	0.000	0.000
44	A	53	ARG	1	0.870	0.951	32.025	0.114	0.114	0.000	0.000	0.000	0.000
45	A	54	TYR	0	0.008	-0.011	29.493	-0.013	-0.013	0.000	0.000	0.000	0.000
46	A	55	GLN	0	-0.005	-0.016	32.100	-0.013	-0.013	0.000	0.000	0.000	0.000
47	A	56	LYS	1	0.841	0.904	34.102	0.090	0.090	0.000	0.000	0.000	0.000
48	A	57	LEU	0	0.014	-0.013	28.134	-0.005	-0.005	0.000	0.000	0.000	0.000
49	A	58	LYS	1	0.827	0.954	29.334	0.094	0.094	0.000	0.000	0.000	0.000
50	A	59	LYS	1	0.883	0.943	30.404	0.112	0.112	0.000	0.000	0.000	0.000
51	A	60	HIS	0	-0.007	0.002	31.322	0.006	0.006	0.000	0.000	0.000	0.000
52	A	61	SER	0	0.017	-0.012	26.024	-0.004	-0.004	0.000	0.000	0.000	0.000
53	A	62	MET	0	-0.062	-0.008	23.636	-0.024	-0.024	0.000	0.000	0.000	0.000
54	A	63	ASP	-1	-0.884	-0.922	25.670	-0.182	-0.182	0.000	0.000	0.000	0.000
55	A	64	PHE	0	-0.092	-0.015	23.173	-0.007	-0.007	0.000	0.000	0.000	0.000
56	A	65	LEU	0	0.007	-0.006	19.521	0.002	0.002	0.000	0.000	0.000	0.000
57	A	66	LEU	0	-0.051	0.002	14.124	-0.014	-0.014	0.000	0.000	0.000	0.000
58	A	67	PHE	0	0.045	-0.015	15.354	0.018	0.018	0.000	0.000	0.000	0.000
59	A	68	GLN	0	0.030	0.002	9.411	0.045	0.045	0.000	0.000	0.000	0.000
60	A	69	PHE	0	-0.010	0.001	9.922	0.126	0.126	0.000	0.000	0.000	0.000
61	A	70	GLY	0	0.060	0.026	7.630	-0.407	-0.407	0.000	0.000	0.000	0.000
62	A	71	LEU	0	-0.066	-0.025	6.847	0.424	0.424	0.000	0.000	0.000	0.000
63	A	72	CYS	0	0.018	0.017	6.257	-0.348	-0.348	0.000	0.000	0.000	0.000
64	A	73	THR	0	-0.074	-0.031	8.248	0.140	0.140	0.000	0.000	0.000	0.000
65	A	74	PHE	0	0.032	0.015	10.278	0.127	0.127	0.000	0.000	0.000	0.000
66	A	75	LYS	1	0.959	0.984	13.095	-0.808	-0.808	0.000	0.000	0.000	0.000
67	A	76	TYR	0	-0.031	-0.024	15.407	0.027	0.027	0.000	0.000	0.000	0.000
68	A	77	ASP	-1	-0.838	-0.915	18.191	0.469	0.469	0.000	0.000	0.000	0.000
69	A	78	TYR	0	-0.041	-0.058	19.979	-0.040	-0.040	0.000	0.000	0.000	0.000
70	A	79	THR	0	-0.049	-0.005	22.683	-0.040	-0.040	0.000	0.000	0.000	0.000
71	A	80	ASP	-1	-0.923	-0.957	20.099	0.366	0.366	0.000	0.000	0.000	0.000
72	A	81	SER	0	-0.079	-0.037	22.356	-0.025	-0.025	0.000	0.000	0.000	0.000
73	A	82	LYS	1	0.900	0.957	16.921	-0.464	-0.464	0.000	0.000	0.000	0.000
74	A	83	TYR	0	-0.001	-0.007	15.087	0.019	0.019	0.000	0.000	0.000	0.000
75	A	84	ILE	0	0.013	0.018	11.818	0.013	0.013	0.000	0.000	0.000	0.000
76	A	85	THR	0	-0.046	-0.028	9.138	-0.068	-0.068	0.000	0.000	0.000	0.000
77	A	86	LYS	1	0.929	0.979	5.873	-1.915	-1.816	-0.001	-0.007	-0.091	0.000
78	A	87	SER	0	0.041	0.009	4.192	-0.483	-0.125	-0.001	-0.198	-0.159	0.000
79	A	88	PHE	0	-0.037	-0.020	1.931	-3.948	-7.521	14.337	-5.359	-5.406	-0.029
80	A	89	ASN	0	0.085	0.059	3.307	2.231	2.331	0.025	0.311	-0.436	0.000
81	A	90	PHE	0	-0.024	-0.024	5.749	-0.259	-0.259	0.000	0.000	0.000	0.000
82	A	91	TYR	0	-0.032	-0.040	7.260	0.374	0.374	0.000	0.000	0.000	0.000
83	A	92	VAL	0	-0.059	-0.019	11.100	0.096	0.096	0.000	0.000	0.000	0.000
84	A	93	PHE	0	0.002	-0.002	14.156	0.035	0.035	0.000	0.000	0.000	0.000
85	A	94	PRO	0	0.006	0.028	17.647	0.009	0.009	0.000	0.000	0.000	0.000
86	A	95	LYS	1	0.956	0.939	18.929	0.264	0.264	0.000	0.000	0.000	0.000
87	A	96	PRO	0	-0.061	-0.021	20.350	0.012	0.012	0.000	0.000	0.000	0.000
88	A	97	PHE	0	0.087	0.037	22.646	0.007	0.007	0.000	0.000	0.000	0.000
89	A	98	ASN	0	0.041	0.005	25.421	0.000	0.000	0.000	0.000	0.000	0.000
90	A	99	ARG	1	0.966	0.977	28.763	0.083	0.083	0.000	0.000	0.000	0.000
91	A	100	SER	0	-0.036	-0.007	31.819	0.000	0.000	0.000	0.000	0.000	0.000
92	A	101	SER	0	0.039	0.046	26.153	0.005	0.005	0.000	0.000	0.000	0.000
93	A	102	PRO	0	-0.015	0.011	27.188	0.003	0.003	0.000	0.000	0.000	0.000
94	A	103	ASP	-1	-0.949	-0.970	27.387	-0.188	-0.188	0.000	0.000	0.000	0.000
95	A	104	VAL	0	-0.008	-0.027	24.245	0.007	0.007	0.000	0.000	0.000	0.000
96	A	105	LYS	1	0.912	0.971	27.061	0.146	0.146	0.000	0.000	0.000	0.000
97	A	106	PHE	0	0.015	0.010	23.039	-0.004	-0.004	0.000	0.000	0.000	0.000
98	A	107	VAL	0	0.009	0.012	26.387	0.006	0.006	0.000	0.000	0.000	0.000
99	A	108	CYS	0	0.003	0.017	24.357	-0.038	-0.038	0.000	0.000	0.000	0.000
100	A	109	GLN	0	0.043	0.022	24.813	0.015	0.015	0.000	0.000	0.000	0.000
101	A	110	SER	0	0.014	-0.011	25.098	-0.021	-0.021	0.000	0.000	0.000	0.000
102	A	111	SER	0	-0.006	0.002	25.918	-0.012	-0.012	0.000	0.000	0.000	0.000
103	A	112	SER	0	0.029	0.012	21.783	0.001	0.001	0.000	0.000	0.000	0.000
104	A	113	ILE	0	0.031	0.008	21.065	-0.035	-0.035	0.000	0.000	0.000	0.000
105	A	114	ASP	-1	-0.944	-0.968	21.413	-0.292	-0.292	0.000	0.000	0.000	0.000
106	A	115	PHE	0	0.011	0.008	18.327	-0.008	-0.008	0.000	0.000	0.000	0.000
107	A	116	LEU	0	0.019	0.011	15.712	-0.014	-0.014	0.000	0.000	0.000	0.000
108	A	117	ALA	0	0.003	-0.005	17.137	-0.054	-0.054	0.000	0.000	0.000	0.000
109	A	118	SER	0	-0.114	-0.047	19.051	0.001	0.001	0.000	0.000	0.000	0.000
110	A	119	GLN	0	-0.002	-0.014	15.542	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	120	GLY	0	0.004	0.022	14.458	-0.062	-0.062	0.000	0.000	0.000	0.000
112	A	121	PHE	0	0.000	0.011	13.020	-0.095	-0.095	0.000	0.000	0.000	0.000
113	A	122	ASP	-1	-0.822	-0.918	12.202	-0.575	-0.575	0.000	0.000	0.000	0.000
114	A	123	PHE	0	0.034	0.000	13.881	-0.064	-0.064	0.000	0.000	0.000	0.000
115	A	124	ASN	0	-0.062	-0.032	15.793	0.066	0.066	0.000	0.000	0.000	0.000
116	A	125	LYS	1	0.888	0.948	7.512	1.475	1.475	0.000	0.000	0.000	0.000
117	A	126	VAL	0	0.007	0.021	13.012	-0.014	-0.014	0.000	0.000	0.000	0.000
118	A	127	PHE	0	-0.008	-0.014	15.149	0.043	0.043	0.000	0.000	0.000	0.000
119	A	128	ARG	1	0.932	0.967	16.800	0.417	0.417	0.000	0.000	0.000	0.000
120	A	129	ASN	0	-0.086	-0.062	12.222	-0.015	-0.015	0.000	0.000	0.000	0.000
121	A	130	GLY	0	0.130	0.096	12.511	-0.093	-0.093	0.000	0.000	0.000	0.000
122	A	131	ILE	0	-0.113	-0.073	8.932	0.109	0.109	0.000	0.000	0.000	0.000
123	A	132	PRO	0	0.008	0.009	13.351	-0.008	-0.008	0.000	0.000	0.000	0.000
124	A	133	TYR	0	-0.023	-0.029	16.076	-0.016	-0.016	0.000	0.000	0.000	0.000
125	A	134	LEU	0	0.010	0.028	18.468	0.008	0.008	0.000	0.000	0.000	0.000
126	A	135	ASN	0	0.010	0.030	21.201	0.019	0.019	0.000	0.000	0.000	0.000
127	A	136	GLN	0	0.047	0.005	23.177	0.009	0.009	0.000	0.000	0.000	0.000
128	A	137	GLU	-1	-0.947	-0.976	25.449	-0.065	-0.065	0.000	0.000	0.000	0.000
129	A	138	GLU	-1	-0.841	-0.942	25.452	-0.155	-0.155	0.000	0.000	0.000	0.000
130	A	139	GLU	-1	-0.927	-0.967	21.821	-0.062	-0.062	0.000	0.000	0.000	0.000
131	A	140	ARG	1	0.906	0.933	25.440	0.057	0.057	0.000	0.000	0.000	0.000
132	A	141	GLN	0	-0.023	0.008	28.535	0.002	0.002	0.000	0.000	0.000	0.000
133	A	142	LEU	0	-0.047	-0.016	24.831	0.004	0.004	0.000	0.000	0.000	0.000
134	A	143	ARG	1	0.829	0.933	22.525	0.045	0.045	0.000	0.000	0.000	0.000
135	A	144	GLU	-1	-0.996	-0.985	28.788	-0.038	-0.038	0.000	0.000	0.000	0.000
136	A	170	PRO	0	-0.006	-0.009	57.067	0.000	0.000	0.000	0.000	0.000	0.000
137	A	171	VAL	0	0.008	0.001	58.107	0.000	0.000	0.000	0.000	0.000	0.000
138	A	172	THR	0	-0.016	-0.007	60.462	0.001	0.001	0.000	0.000	0.000	0.000
139	A	173	ILE	0	0.003	0.011	58.238	-0.001	-0.001	0.000	0.000	0.000	0.000
140	A	174	PRO	0	-0.001	0.005	61.210	0.001	0.001	0.000	0.000	0.000	0.000
141	A	175	GLU	-1	-0.828	-0.947	63.808	-0.008	-0.008	0.000	0.000	0.000	0.000
142	A	176	ASP	-1	-0.914	-0.937	63.006	-0.014	-0.014	0.000	0.000	0.000	0.000
143	A	177	GLN	0	-0.009	-0.024	59.032	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	178	LYS	1	0.868	0.955	60.392	0.009	0.009	0.000	0.000	0.000	0.000
145	A	179	LYS	1	0.997	0.979	61.479	0.007	0.007	0.000	0.000	0.000	0.000
146	A	180	PHE	0	0.027	0.029	53.367	0.000	0.000	0.000	0.000	0.000	0.000
147	A	181	ILE	0	0.007	-0.015	55.737	0.000	0.000	0.000	0.000	0.000	0.000
148	A	182	ASP	-1	-0.901	-0.953	56.784	-0.006	-0.006	0.000	0.000	0.000	0.000
149	A	183	GLN	0	0.052	0.020	57.048	0.000	0.000	0.000	0.000	0.000	0.000
150	A	184	VAL	0	-0.099	-0.042	51.941	0.000	0.000	0.000	0.000	0.000	0.000
151	A	185	VAL	0	-0.027	-0.031	53.189	0.000	0.000	0.000	0.000	0.000	0.000
152	A	186	GLU	-1	-0.901	-0.942	54.732	-0.002	-0.002	0.000	0.000	0.000	0.000
153	A	187	LYS	1	0.935	0.970	51.085	0.009	0.009	0.000	0.000	0.000	0.000
154	A	188	ILE	0	-0.037	-0.018	48.736	0.000	0.000	0.000	0.000	0.000	0.000
155	A	189	GLU	-1	-0.850	-0.927	50.557	0.003	0.003	0.000	0.000	0.000	0.000
156	A	190	ASP	-1	-0.959	-0.972	52.992	0.002	0.002	0.000	0.000	0.000	0.000
157	A	191	LEU	0	-0.056	-0.034	45.130	0.000	0.000	0.000	0.000	0.000	0.000
158	A	192	LEU	0	-0.060	-0.017	48.077	0.002	0.002	0.000	0.000	0.000	0.000
159	A	193	GLN	0	-0.041	-0.030	48.744	0.001	0.001	0.000	0.000	0.000	0.000
160	A	194	SER	0	0.005	0.009	49.099	0.001	0.001	0.000	0.000	0.000	0.000
161	A	195	GLU	-1	-0.959	-0.968	46.190	0.019	0.019	0.000	0.000	0.000	0.000
162	A	196	GLU	-1	-0.967	-0.980	41.601	0.009	0.009	0.000	0.000	0.000	0.000
163	A	197	ASN	0	0.009	0.005	41.895	0.000	0.000	0.000	0.000	0.000	0.000
164	A	198	LYS	1	0.916	0.961	37.731	0.000	0.000	0.000	0.000	0.000	0.000
165	A	199	ASN	0	-0.022	-0.025	39.864	0.000	0.000	0.000	0.000	0.000	0.000
166	A	200	LEU	0	0.029	0.017	41.878	0.001	0.001	0.000	0.000	0.000	0.000
167	A	201	ASP	-1	-0.843	-0.926	41.653	-0.016	-0.016	0.000	0.000	0.000	0.000
168	A	202	LEU	0	-0.071	-0.033	44.813	0.001	0.001	0.000	0.000	0.000	0.000
169	A	203	GLU	-1	-0.912	-0.959	46.986	-0.016	-0.016	0.000	0.000	0.000	0.000
170	A	204	PRO	0	-0.006	0.005	46.684	0.000	0.000	0.000	0.000	0.000	0.000
171	A	205	CYS	0	-0.025	0.001	48.727	0.001	0.001	0.000	0.000	0.000	0.000
172	A	206	THR	0	0.022	0.017	50.476	-0.003	-0.003	0.000	0.000	0.000	0.000
173	A	207	GLY	0	0.041	0.000	50.703	0.001	0.001	0.000	0.000	0.000	0.000
174	A	208	PHE	0	0.004	-0.008	51.692	0.000	0.000	0.000	0.000	0.000	0.000
175	A	209	GLN	0	0.027	0.016	53.744	0.000	0.000	0.000	0.000	0.000	0.000
176	A	210	ARG	1	1.026	1.006	44.605	0.027	0.027	0.000	0.000	0.000	0.000
177	A	211	LYS	1	0.851	0.944	50.255	0.019	0.019	0.000	0.000	0.000	0.000
178	A	212	LEU	0	-0.010	-0.021	52.117	0.001	0.001	0.000	0.000	0.000	0.000
179	A	213	ILE	0	0.046	0.032	49.945	0.001	0.001	0.000	0.000	0.000	0.000
180	A	214	TYR	0	0.021	0.046	43.500	0.001	0.001	0.000	0.000	0.000	0.000
181	A	215	GLN	0	-0.058	-0.038	50.093	0.000	0.000	0.000	0.000	0.000	0.000
182	A	216	THR	0	0.025	0.017	53.191	0.001	0.001	0.000	0.000	0.000	0.000
183	A	217	LEU	0	-0.028	-0.022	48.550	0.001	0.001	0.000	0.000	0.000	0.000
184	A	218	SER	0	-0.033	0.005	50.867	0.001	0.001	0.000	0.000	0.000	0.000
185	A	219	TRP	0	0.016	-0.003	51.938	0.001	0.001	0.000	0.000	0.000	0.000
186	A	220	LYS	1	0.851	0.940	53.999	0.003	0.003	0.000	0.000	0.000	0.000
187	A	221	TYR	0	-0.008	-0.021	49.916	0.001	0.001	0.000	0.000	0.000	0.000
188	A	222	PRO	0	0.021	0.025	49.104	0.000	0.000	0.000	0.000	0.000	0.000
189	A	223	LYS	1	0.964	0.978	46.605	-0.007	-0.007	0.000	0.000	0.000	0.000
190	A	224	GLY	0	-0.024	-0.024	45.470	0.000	0.000	0.000	0.000	0.000	0.000
191	A	225	ILE	0	0.022	0.020	44.312	0.000	0.000	0.000	0.000	0.000	0.000
192	A	226	HIS	0	0.032	0.013	38.000	0.001	0.001	0.000	0.000	0.000	0.000
193	A	227	VAL	0	-0.028	-0.003	42.308	-0.001	-0.001	0.000	0.000	0.000	0.000
194	A	228	GLU	-1	-0.928	-0.985	37.273	-0.025	-0.025	0.000	0.000	0.000	0.000
195	A	229	THR	0	-0.084	-0.079	41.620	0.000	0.000	0.000	0.000	0.000	0.000
196	A	230	LEU	0	0.038	0.045	35.164	-0.003	-0.003	0.000	0.000	0.000	0.000
197	A	231	GLU	-1	-0.983	-1.008	37.828	-0.049	-0.049	0.000	0.000	0.000	0.000
198	A	232	THR	0	0.014	0.029	37.621	-0.001	-0.001	0.000	0.000	0.000	0.000
199	A	233	GLU	-1	-0.888	-0.955	35.532	-0.050	-0.050	0.000	0.000	0.000	0.000
200	A	234	LYS	1	0.877	0.924	36.920	0.048	0.048	0.000	0.000	0.000	0.000
201	A	235	LYS	1	0.956	0.965	38.705	0.056	0.056	0.000	0.000	0.000	0.000
202	A	236	GLU	-1	-0.954	-0.952	40.364	-0.033	-0.033	0.000	0.000	0.000	0.000
203	A	237	ARG	1	0.935	0.949	42.484	0.036	0.036	0.000	0.000	0.000	0.000
204	A	238	TYR	0	0.053	0.039	42.083	0.001	0.001	0.000	0.000	0.000	0.000
205	A	239	ILE	0	-0.071	-0.039	43.332	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	240	VAL	0	0.045	0.026	40.041	0.001	0.001	0.000	0.000	0.000	0.000
207	A	241	ILE	0	-0.023	-0.011	43.100	0.000	0.000	0.000	0.000	0.000	0.000
208	A	242	SER	0	-0.068	-0.046	39.753	0.001	0.001	0.000	0.000	0.000	0.000
209	A	243	LYS	1	0.908	0.951	37.067	-0.011	-0.011	0.000	0.000	0.000	0.000
210	A	244	VAL	0	0.036	0.041	39.279	-0.002	-0.002	0.000	0.000	0.000	0.000
211	A	245	ASP	-1	-0.926	-0.968	40.477	0.002	0.002	0.000	0.000	0.000	0.000
212	A	246	GLU	-1	-0.987	-1.023	39.898	0.018	0.018	0.000	0.000	0.000	0.000
213	A	247	GLU	-1	-0.837	-0.911	38.381	0.023	0.023	0.000	0.000	0.000	0.000
214	A	248	GLU	-1	-0.910	-0.980	34.815	0.018	0.018	0.000	0.000	0.000	0.000
215	A	249	ARG	1	0.860	0.945	35.302	-0.007	-0.007	0.000	0.000	0.000	0.000
216	A	250	LYS	1	0.953	0.959	34.538	-0.010	-0.010	0.000	0.000	0.000	0.000
217	A	251	ARG	1	0.979	1.023	28.376	-0.039	-0.039	0.000	0.000	0.000	0.000
218	A	252	ARG	1	0.968	0.985	30.533	0.002	0.002	0.000	0.000	0.000	0.000
219	A	253	GLU	-1	-0.940	-0.969	30.392	-0.006	-0.006	0.000	0.000	0.000	0.000
220	A	254	GLN	0	-0.004	-0.002	28.078	0.002	0.002	0.000	0.000	0.000	0.000
221	A	255	GLN	0	-0.001	-0.016	25.882	0.006	0.006	0.000	0.000	0.000	0.000
222	A	256	LYS	1	0.936	0.986	26.016	0.017	0.017	0.000	0.000	0.000	0.000
223	A	257	HIS	0	0.035	0.010	27.374	-0.009	-0.009	0.000	0.000	0.000	0.000
224	A	258	ALA	0	-0.012	-0.005	23.557	-0.001	-0.001	0.000	0.000	0.000	0.000
225	A	259	LYS	1	0.946	0.965	21.969	0.043	0.043	0.000	0.000	0.000	0.000
226	A	260	GLU	-1	-0.926	-0.948	23.457	-0.038	-0.038	0.000	0.000	0.000	0.000
227	A	261	GLN	0	0.071	0.010	23.428	-0.008	-0.008	0.000	0.000	0.000	0.000
228	A	262	GLU	-1	-0.960	-0.948	17.535	0.019	0.019	0.000	0.000	0.000	0.000
229	A	263	GLU	-1	-0.952	-0.981	19.234	-0.096	-0.096	0.000	0.000	0.000	0.000
230	A	264	LEU	0	0.016	0.018	20.665	-0.019	-0.019	0.000	0.000	0.000	0.000
231	A	265	ASN	0	0.003	-0.023	18.612	-0.023	-0.023	0.000	0.000	0.000	0.000
232	A	266	ASP	-1	-0.887	-0.956	16.001	-0.098	-0.098	0.000	0.000	0.000	0.000
233	A	267	ALA	0	-0.049	-0.025	16.929	-0.046	-0.046	0.000	0.000	0.000	0.000
234	A	268	VAL	0	0.027	0.048	17.767	-0.027	-0.027	0.000	0.000	0.000	0.000
235	A	269	GLY	0	-0.010	-0.003	14.973	-0.027	-0.027	0.000	0.000	0.000	0.000
236	A	270	PHE	0	-0.008	-0.029	9.785	0.028	0.028	0.000	0.000	0.000	0.000
237	A	271	SER	0	0.041	-0.005	13.900	-0.005	-0.005	0.000	0.000	0.000	0.000
238	A	272	ARG	1	0.958	0.995	13.869	0.057	0.057	0.000	0.000	0.000	0.000
239	A	273	VAL	0	-0.048	-0.018	9.897	0.075	0.075	0.000	0.000	0.000	0.000
240	A	274	ILE	0	0.022	0.013	13.044	0.033	0.033	0.000	0.000	0.000	0.000
241	A	275	HIS	0	-0.004	-0.001	15.499	0.044	0.044	0.000	0.000	0.000	0.000
242	A	276	ALA	0	-0.041	-0.015	13.970	0.027	0.027	0.000	0.000	0.000	0.000
243	A	277	ILE	0	-0.001	0.010	11.599	0.034	0.034	0.000	0.000	0.000	0.000
244	A	278	ALA	0	0.029	0.059	15.649	0.023	0.023	0.000	0.000	0.000	0.000
245	A	279	ASN	0	-0.071	-0.036	19.213	0.006	0.006	0.000	0.000	0.000	0.000
246	A	280	SER	0	-0.015	-0.058	17.556	0.040	0.040	0.000	0.000	0.000	0.000
247	A	281	GLY	0	-0.015	0.007	19.584	0.016	0.016	0.000	0.000	0.000	0.000
248	A	282	LYS	1	0.785	0.895	16.556	-0.347	-0.347	0.000	0.000	0.000	0.000
249	A	283	LEU	0	-0.031	-0.002	19.202	-0.023	-0.023	0.000	0.000	0.000	0.000
250	A	284	VAL	0	0.018	0.025	15.726	0.017	0.017	0.000	0.000	0.000	0.000
251	A	285	ILE	0	-0.048	-0.037	15.983	-0.006	-0.006	0.000	0.000	0.000	0.000
252	A	286	GLY	0	0.102	0.028	15.728	-0.053	-0.053	0.000	0.000	0.000	0.000
253	A	287	HIS	0	-0.013	-0.018	17.595	0.043	0.043	0.000	0.000	0.000	0.000
254	A	288	ASN	0	-0.043	-0.015	19.409	-0.013	-0.013	0.000	0.000	0.000	0.000
255	A	289	MET	0	0.029	0.046	18.393	-0.007	-0.007	0.000	0.000	0.000	0.000
256	A	290	LEU	0	-0.035	0.009	20.721	-0.007	-0.007	0.000	0.000	0.000	0.000
257	A	291	LEU	0	0.060	-0.004	22.128	0.005	0.005	0.000	0.000	0.000	0.000
258	A	292	ASP	-1	-0.786	-0.892	17.048	-0.427	-0.427	0.000	0.000	0.000	0.000
259	A	293	VAL	0	-0.050	-0.020	18.959	-0.009	-0.009	0.000	0.000	0.000	0.000
260	A	294	MET	0	-0.018	-0.012	20.837	0.004	0.004	0.000	0.000	0.000	0.000
261	A	295	HIS	1	0.907	0.933	19.654	0.315	0.315	0.000	0.000	0.000	0.000
262	A	296	THR	0	-0.007	-0.009	16.624	-0.022	-0.022	0.000	0.000	0.000	0.000
263	A	297	VAL	0	-0.005	-0.003	18.935	0.010	0.010	0.000	0.000	0.000	0.000
264	A	298	HIS	0	0.051	0.022	21.997	0.022	0.022	0.000	0.000	0.000	0.000
265	A	299	GLN	0	0.005	0.012	18.202	0.020	0.020	0.000	0.000	0.000	0.000
266	A	300	PHE	0	-0.006	-0.008	15.622	0.000	0.000	0.000	0.000	0.000	0.000
267	A	301	TYR	0	-0.031	-0.016	19.650	0.026	0.026	0.000	0.000	0.000	0.000
268	A	302	CYS	0	0.027	-0.003	22.696	0.016	0.016	0.000	0.000	0.000	0.000
269	A	303	PRO	0	0.005	0.021	26.045	-0.006	-0.006	0.000	0.000	0.000	0.000
270	A	304	LEU	0	-0.035	-0.017	25.539	0.013	0.013	0.000	0.000	0.000	0.000
271	A	305	PRO	0	0.066	0.050	28.803	0.002	0.002	0.000	0.000	0.000	0.000
272	A	306	ALA	0	-0.011	-0.041	32.324	-0.007	-0.007	0.000	0.000	0.000	0.000
273	A	307	ASP	-1	-0.828	-0.889	35.479	-0.066	-0.066	0.000	0.000	0.000	0.000
274	A	308	LEU	0	-0.033	-0.040	31.899	-0.005	-0.005	0.000	0.000	0.000	0.000
275	A	309	SER	0	-0.027	-0.033	32.703	-0.002	-0.002	0.000	0.000	0.000	0.000
276	A	310	GLU	-1	-0.882	-0.940	33.204	-0.063	-0.063	0.000	0.000	0.000	0.000
277	A	311	PHE	0	-0.002	0.005	25.350	0.000	0.000	0.000	0.000	0.000	0.000
278	A	312	LYS	1	0.887	0.936	28.485	0.060	0.060	0.000	0.000	0.000	0.000
279	A	313	GLU	-1	-0.902	-0.945	29.171	-0.031	-0.031	0.000	0.000	0.000	0.000
280	A	314	MET	0	-0.023	-0.004	26.529	0.005	0.005	0.000	0.000	0.000	0.000
281	A	315	THR	0	-0.036	-0.030	23.866	-0.007	-0.007	0.000	0.000	0.000	0.000
282	A	316	THR	0	0.005	0.014	24.050	0.001	0.001	0.000	0.000	0.000	0.000
283	A	317	CYS	0	-0.055	-0.014	24.856	0.013	0.013	0.000	0.000	0.000	0.000
284	A	318	VAL	0	-0.029	-0.017	19.375	0.011	0.011	0.000	0.000	0.000	0.000
285	A	319	PHE	0	-0.025	-0.024	16.646	-0.005	-0.005	0.000	0.000	0.000	0.000
286	A	320	PRO	0	0.035	0.034	21.331	0.001	0.001	0.000	0.000	0.000	0.000
287	A	321	ARG	1	0.878	0.944	22.025	-0.051	-0.051	0.000	0.000	0.000	0.000
288	A	322	LEU	0	0.042	0.046	20.894	0.000	0.000	0.000	0.000	0.000	0.000
289	A	323	LEU	0	0.014	-0.010	20.732	0.016	0.016	0.000	0.000	0.000	0.000
290	A	324	ASP	-1	-0.709	-0.864	20.463	-0.189	-0.189	0.000	0.000	0.000	0.000
291	A	325	THR	0	-0.004	-0.029	18.896	0.015	0.015	0.000	0.000	0.000	0.000
292	A	326	LYS	1	0.929	0.972	21.912	0.166	0.166	0.000	0.000	0.000	0.000
293	A	327	LEU	0	-0.008	0.004	24.111	0.013	0.013	0.000	0.000	0.000	0.000
294	A	328	MET	0	-0.040	0.001	24.360	0.008	0.008	0.000	0.000	0.000	0.000
295	A	329	ALA	0	0.049	0.014	25.147	0.010	0.010	0.000	0.000	0.000	0.000
296	A	330	SER	0	-0.123	-0.078	27.070	0.001	0.001	0.000	0.000	0.000	0.000
297	A	331	THR	0	-0.055	-0.023	29.903	0.003	0.003	0.000	0.000	0.000	0.000
298	A	332	GLN	0	0.009	0.019	31.186	0.004	0.004	0.000	0.000	0.000	0.000
299	A	333	PRO	0	0.004	-0.008	30.902	0.000	0.000	0.000	0.000	0.000	0.000
300	A	334	PHE	0	0.026	0.003	27.396	0.001	0.001	0.000	0.000	0.000	0.000
301	A	335	LYS	1	0.937	0.970	30.874	0.061	0.061	0.000	0.000	0.000	0.000
302	A	336	ASP	-1	-0.976	-0.993	32.851	-0.026	-0.026	0.000	0.000	0.000	0.000
303	A	337	ILE	0	-0.001	0.021	31.326	0.002	0.002	0.000	0.000	0.000	0.000
304	A	338	ILE	0	-0.021	-0.005	26.761	-0.003	-0.003	0.000	0.000	0.000	0.000
305	A	339	ASN	0	0.007	-0.003	30.640	0.000	0.000	0.000	0.000	0.000	0.000
306	A	340	ASN	0	-0.013	-0.021	27.089	-0.013	-0.013	0.000	0.000	0.000	0.000
307	A	341	THR	0	0.038	0.040	25.960	-0.006	-0.006	0.000	0.000	0.000	0.000
308	A	342	SER	0	-0.013	-0.011	23.594	-0.018	-0.018	0.000	0.000	0.000	0.000
309	A	343	LEU	0	0.099	0.044	15.805	0.027	0.027	0.000	0.000	0.000	0.000
310	A	344	ALA	0	0.059	0.039	20.075	0.006	0.006	0.000	0.000	0.000	0.000
311	A	345	GLU	-1	-0.936	-0.998	21.060	-0.141	-0.141	0.000	0.000	0.000	0.000
312	A	346	LEU	0	-0.045	-0.011	21.515	0.020	0.020	0.000	0.000	0.000	0.000
313	A	347	GLU	-1	-0.830	-0.935	17.851	-0.173	-0.173	0.000	0.000	0.000	0.000
314	A	348	LYS	1	0.874	0.960	20.617	0.146	0.146	0.000	0.000	0.000	0.000
315	A	349	ARG	1	0.866	0.928	23.423	0.054	0.054	0.000	0.000	0.000	0.000
316	A	350	LEU	0	-0.076	-0.042	21.682	0.014	0.014	0.000	0.000	0.000	0.000
317	A	351	LYS	1	0.884	0.949	19.622	0.112	0.112	0.000	0.000	0.000	0.000
318	A	352	GLU	-1	-0.922	-0.956	24.107	-0.041	-0.041	0.000	0.000	0.000	0.000
319	A	353	THR	0	0.050	0.045	27.900	0.004	0.004	0.000	0.000	0.000	0.000
320	A	354	PRO	0	-0.023	-0.003	30.619	-0.009	-0.009	0.000	0.000	0.000	0.000
321	A	355	PHE	0	-0.038	-0.033	25.528	0.006	0.006	0.000	0.000	0.000	0.000
322	A	356	ASN	0	-0.015	-0.011	25.451	-0.002	-0.002	0.000	0.000	0.000	0.000
323	A	357	PRO	0	0.032	0.028	20.845	0.003	0.003	0.000	0.000	0.000	0.000
324	A	358	PRO	0	-0.037	-0.008	17.659	0.021	0.021	0.000	0.000	0.000	0.000
325	A	359	LYS	1	0.931	0.961	18.626	-0.187	-0.187	0.000	0.000	0.000	0.000
326	A	360	VAL	0	-0.016	-0.006	13.149	0.028	0.028	0.000	0.000	0.000	0.000
327	A	361	GLU	-1	-0.855	-0.939	13.392	0.443	0.443	0.000	0.000	0.000	0.000
328	A	362	SER	0	-0.047	-0.012	7.004	0.205	0.205	0.000	0.000	0.000	0.000
329	A	363	ALA	0	-0.010	-0.009	8.296	-0.118	-0.118	0.000	0.000	0.000	0.000
330	A	364	GLU	-1	-0.896	-0.958	8.093	1.312	1.312	0.000	0.000	0.000	0.000
331	A	365	GLY	0	-0.010	-0.005	7.396	0.307	0.307	0.000	0.000	0.000	0.000
332	A	366	PHE	0	-0.071	-0.039	3.468	0.035	1.697	1.216	-0.620	-2.257	-0.005
333	A	367	PRO	0	0.009	0.002	2.235	-2.149	-1.173	1.692	-0.755	-1.913	-0.001
334	A	368	SER	0	-0.003	0.005	5.215	0.055	0.114	-0.001	-0.003	-0.055	0.000
335	A	369	TYR	0	-0.036	-0.023	6.345	-0.210	-0.210	0.000	0.000	0.000	0.000
336	A	370	ASP	-1	-0.904	-0.969	10.421	0.131	0.131	0.000	0.000	0.000	0.000
337	A	371	THR	0	-0.035	-0.023	13.898	-0.043	-0.043	0.000	0.000	0.000	0.000
338	A	372	ALA	0	-0.047	-0.003	13.087	-0.003	-0.003	0.000	0.000	0.000	0.000
339	A	373	SER	0	-0.018	-0.044	15.079	-0.028	-0.028	0.000	0.000	0.000	0.000
340	A	374	GLU	-1	-0.966	-0.966	17.500	-0.191	-0.191	0.000	0.000	0.000	0.000
341	A	375	GLN	0	-0.007	0.014	10.314	0.061	0.061	0.000	0.000	0.000	0.000
342	A	376	LEU	0	-0.035	-0.012	13.351	0.005	0.005	0.000	0.000	0.000	0.000
343	A	377	HIS	1	0.811	0.878	12.534	0.400	0.400	0.000	0.000	0.000	0.000
344	A	378	GLU	-1	-0.835	-0.911	7.375	-2.068	-2.068	0.000	0.000	0.000	0.000
345	A	379	ALA	0	0.064	0.066	8.962	-0.037	-0.037	0.000	0.000	0.000	0.000
346	A	380	GLY	0	-0.004	-0.014	6.117	0.130	0.130	0.000	0.000	0.000	0.000
347	A	381	TYR	0	0.027	0.014	7.069	0.403	0.403	0.000	0.000	0.000	0.000
348	A	382	ASP	-1	-0.749	-0.857	9.374	-0.365	-0.365	0.000	0.000	0.000	0.000
349	A	383	ALA	0	-0.013	0.011	9.156	0.180	0.180	0.000	0.000	0.000	0.000
350	A	384	TYR	0	-0.015	-0.027	8.532	0.193	0.193	0.000	0.000	0.000	0.000
351	A	385	ILE	0	0.027	0.007	10.503	0.169	0.169	0.000	0.000	0.000	0.000
352	A	386	THR	0	-0.037	-0.041	13.810	0.097	0.097	0.000	0.000	0.000	0.000
353	A	387	GLY	0	-0.020	-0.024	13.610	0.061	0.061	0.000	0.000	0.000	0.000
354	A	388	LEU	0	0.002	-0.002	13.854	0.064	0.064	0.000	0.000	0.000	0.000
355	A	389	CYS	0	-0.033	-0.006	16.523	0.026	0.026	0.000	0.000	0.000	0.000
356	A	390	PHE	0	0.035	0.010	18.135	0.021	0.021	0.000	0.000	0.000	0.000
357	A	391	ILE	0	-0.022	0.004	16.296	0.018	0.018	0.000	0.000	0.000	0.000
358	A	392	SER	0	0.005	0.005	20.218	0.016	0.016	0.000	0.000	0.000	0.000
359	A	393	MET	0	-0.038	-0.010	22.470	0.004	0.004	0.000	0.000	0.000	0.000
360	A	394	ALA	0	0.021	-0.002	23.070	0.006	0.006	0.000	0.000	0.000	0.000
361	A	395	ASN	0	0.024	-0.010	22.270	0.011	0.011	0.000	0.000	0.000	0.000
362	A	396	TYR	0	0.069	0.052	25.853	0.002	0.002	0.000	0.000	0.000	0.000
363	A	397	LEU	0	-0.007	0.044	27.373	0.000	0.000	0.000	0.000	0.000	0.000
364	A	398	GLY	0	-0.021	-0.018	29.122	0.001	0.001	0.000	0.000	0.000	0.000
365	A	399	SER	0	-0.082	-0.093	30.770	0.002	0.002	0.000	0.000	0.000	0.000
366	A	400	PHE	0	0.000	0.003	32.450	-0.002	-0.002	0.000	0.000	0.000	0.000
367	A	401	LEU	0	-0.106	-0.034	32.499	0.001	0.001	0.000	0.000	0.000	0.000
368	A	402	SER	0	0.015	0.029	36.130	-0.002	-0.002	0.000	0.000	0.000	0.000
369	A	403	PRO	0	-0.016	-0.037	36.562	-0.001	-0.001	0.000	0.000	0.000	0.000
370	A	404	PRO	0	0.010	0.023	34.051	0.002	0.002	0.000	0.000	0.000	0.000
371	A	405	LYS	1	0.876	0.943	29.258	-0.080	-0.080	0.000	0.000	0.000	0.000
372	A	406	ILE	0	0.040	0.012	26.971	-0.006	-0.006	0.000	0.000	0.000	0.000
373	A	407	HIS	0	-0.010	0.009	21.589	-0.014	-0.014	0.000	0.000	0.000	0.000
374	A	408	VAL	0	-0.038	-0.021	25.023	0.000	0.000	0.000	0.000	0.000	0.000
375	A	409	SER	0	-0.005	0.001	23.224	0.002	0.002	0.000	0.000	0.000	0.000
376	A	410	ALA	0	0.111	0.040	20.189	-0.019	-0.019	0.000	0.000	0.000	0.000
377	A	411	ARG	1	0.959	0.972	22.161	-0.210	-0.210	0.000	0.000	0.000	0.000
378	A	412	SER	0	-0.049	-0.005	25.185	-0.007	-0.007	0.000	0.000	0.000	0.000
379	A	413	LYS	1	1.065	1.017	27.807	-0.065	-0.065	0.000	0.000	0.000	0.000
380	A	414	LEU	0	-0.051	-0.040	29.303	-0.007	-0.007	0.000	0.000	0.000	0.000
381	A	415	ILE	0	0.009	0.008	23.849	-0.008	-0.008	0.000	0.000	0.000	0.000
382	A	416	GLU	-1	-0.902	-0.943	27.459	0.031	0.031	0.000	0.000	0.000	0.000
383	A	417	PRO	0	-0.032	-0.021	29.164	-0.008	-0.008	0.000	0.000	0.000	0.000
384	A	418	PHE	0	-0.036	-0.023	26.512	-0.008	-0.008	0.000	0.000	0.000	0.000
385	A	419	PHE	0	-0.028	-0.009	23.767	-0.009	-0.009	0.000	0.000	0.000	0.000
386	A	420	ASN	0	-0.018	-0.017	25.406	-0.008	-0.008	0.000	0.000	0.000	0.000
387	A	421	LYS	1	0.932	0.979	26.235	0.035	0.035	0.000	0.000	0.000	0.000
388	A	422	LEU	0	0.037	0.028	23.541	-0.011	-0.011	0.000	0.000	0.000	0.000
389	A	423	PHE	0	-0.013	-0.007	27.107	0.014	0.014	0.000	0.000	0.000	0.000
390	A	424	LEU	0	0.027	0.017	28.379	-0.010	-0.010	0.000	0.000	0.000	0.000
391	A	425	MET	0	-0.025	-0.024	30.925	-0.004	-0.004	0.000	0.000	0.000	0.000
392	A	426	ARG	1	0.931	0.961	33.844	0.062	0.062	0.000	0.000	0.000	0.000
393	A	427	VAL	0	0.008	0.006	31.208	-0.006	-0.006	0.000	0.000	0.000	0.000
394	A	428	MET	0	-0.042	-0.004	30.518	0.004	0.004	0.000	0.000	0.000	0.000
395	A	429	ASP	-1	-0.870	-0.936	30.370	-0.042	-0.042	0.000	0.000	0.000	0.000
396	A	430	ILE	0	-0.019	-0.013	26.770	-0.001	-0.001	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

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