FMO DATABASE

FMODB ID: LNKY9

Calculation Name: 1IQ0-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1IQ0

Chain ID: A

ChEMBL ID:

UniProt ID: Q5SM45

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	592
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-12482694.960268
FMO2-HF: Nuclear repulsion	12253723.966909
FMO2-HF: Total energy	-228970.993359
FMO2-MP2: Total energy	-229651.441294

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.
-34.826	-29.437	25.328	-9.99	-20.726	-0.066

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.050 / q_NPA : -0.003

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	ARG	1	0.907	0.925	2.558	-3.392	-1.153	0.458	-0.447	-2.250	-0.001
4	A	4	ARG	1	0.886	0.926	2.452	-8.017	-9.731	9.270	-2.126	-5.430	0.011
5	A	5	ALA	0	-0.005	0.012	3.076	-2.931	-2.670	0.034	0.290	-0.585	0.002
6	A	6	LEU	0	-0.008	-0.002	4.742	-1.167	-1.026	-0.001	-0.012	-0.128	0.000
7	A	7	GLU	-1	-0.778	-0.893	6.939	3.055	3.055	0.000	0.000	0.000	0.000
8	A	8	GLU	-1	-0.947	-0.970	7.278	1.197	1.197	0.000	0.000	0.000	0.000
9	A	9	ALA	0	0.025	0.007	8.879	-0.416	-0.416	0.000	0.000	0.000	0.000
10	A	10	ILE	0	-0.003	0.003	10.858	-0.258	-0.258	0.000	0.000	0.000	0.000
11	A	11	ALA	0	-0.001	-0.007	11.966	-0.185	-0.185	0.000	0.000	0.000	0.000
12	A	12	GLN	0	-0.020	-0.015	13.051	-0.329	-0.329	0.000	0.000	0.000	0.000
13	A	13	ALA	0	0.078	0.038	14.883	-0.110	-0.110	0.000	0.000	0.000	0.000
14	A	14	LEU	0	-0.048	-0.031	15.781	-0.091	-0.091	0.000	0.000	0.000	0.000
15	A	15	LYS	1	0.882	0.939	16.030	-0.838	-0.838	0.000	0.000	0.000	0.000
16	A	16	GLU	-1	-0.976	-0.968	18.959	0.407	0.407	0.000	0.000	0.000	0.000
17	A	17	MET	0	-0.089	-0.039	19.609	-0.062	-0.062	0.000	0.000	0.000	0.000
18	A	18	GLY	0	-0.038	-0.009	22.751	-0.042	-0.042	0.000	0.000	0.000	0.000
19	A	19	VAL	0	-0.028	-0.011	20.652	0.000	0.000	0.000	0.000	0.000	0.000
20	A	20	PRO	0	0.015	0.006	19.700	0.056	0.056	0.000	0.000	0.000	0.000
21	A	21	VAL	0	-0.004	0.015	17.709	0.015	0.015	0.000	0.000	0.000	0.000
22	A	22	ARG	1	0.937	0.960	9.911	-1.844	-1.844	0.000	0.000	0.000	0.000
23	A	23	LEU	0	-0.033	-0.017	13.773	-0.074	-0.074	0.000	0.000	0.000	0.000
24	A	24	LYS	1	0.888	0.950	8.395	-1.986	-1.986	0.000	0.000	0.000	0.000
25	A	25	VAL	0	-0.023	-0.009	7.579	-0.385	-0.385	0.000	0.000	0.000	0.000
26	A	26	ALA	0	-0.005	-0.016	9.595	0.226	0.226	0.000	0.000	0.000	0.000
27	A	27	ARG	1	0.857	0.907	10.201	-0.500	-0.500	0.000	0.000	0.000	0.000
28	A	28	ALA	0	-0.012	-0.006	12.484	-0.049	-0.049	0.000	0.000	0.000	0.000
29	A	29	PRO	0	-0.051	-0.041	15.489	-0.058	-0.058	0.000	0.000	0.000	0.000
30	A	30	LYS	1	0.991	0.984	18.509	-0.236	-0.236	0.000	0.000	0.000	0.000
31	A	31	ASP	-1	-0.878	-0.924	19.233	0.074	0.074	0.000	0.000	0.000	0.000
32	A	32	LYS	1	0.884	0.943	19.529	-0.195	-0.195	0.000	0.000	0.000	0.000
33	A	33	PRO	0	-0.013	-0.014	19.525	-0.007	-0.007	0.000	0.000	0.000	0.000
34	A	34	GLY	0	-0.006	0.002	16.217	0.045	0.045	0.000	0.000	0.000	0.000
35	A	35	ASP	-1	-0.785	-0.894	11.821	0.114	0.114	0.000	0.000	0.000	0.000
36	A	36	TYR	0	-0.018	-0.009	7.287	0.125	0.125	0.000	0.000	0.000	0.000
37	A	37	GLY	0	0.049	0.033	11.867	-0.142	-0.142	0.000	0.000	0.000	0.000
38	A	38	VAL	0	-0.016	0.004	13.320	0.160	0.160	0.000	0.000	0.000	0.000
39	A	39	PRO	0	0.003	0.010	14.907	-0.139	-0.139	0.000	0.000	0.000	0.000
40	A	40	LEU	0	0.012	0.011	18.053	0.041	0.041	0.000	0.000	0.000	0.000
41	A	41	PHE	0	0.016	-0.016	20.633	-0.061	-0.061	0.000	0.000	0.000	0.000
42	A	42	ALA	0	0.012	0.004	20.483	-0.037	-0.037	0.000	0.000	0.000	0.000
43	A	43	LEU	0	0.086	0.033	19.764	-0.030	-0.030	0.000	0.000	0.000	0.000
44	A	44	ALA	0	-0.017	0.005	23.369	-0.035	-0.035	0.000	0.000	0.000	0.000
45	A	45	LYS	1	0.920	0.957	25.876	-0.284	-0.284	0.000	0.000	0.000	0.000
46	A	46	GLU	-1	-0.936	-0.958	24.270	0.428	0.428	0.000	0.000	0.000	0.000
47	A	47	LEU	0	0.049	0.031	24.540	-0.021	-0.021	0.000	0.000	0.000	0.000
48	A	48	ARG	1	0.808	0.900	28.532	-0.274	-0.274	0.000	0.000	0.000	0.000
49	A	49	LYS	1	0.950	0.976	28.438	-0.307	-0.307	0.000	0.000	0.000	0.000
50	A	50	PRO	0	0.038	0.016	28.669	0.014	0.014	0.000	0.000	0.000	0.000
51	A	51	PRO	0	0.093	0.048	24.488	0.007	0.007	0.000	0.000	0.000	0.000
52	A	52	GLN	0	0.018	0.000	24.537	0.046	0.046	0.000	0.000	0.000	0.000
53	A	53	ALA	0	-0.028	-0.012	25.860	-0.003	-0.003	0.000	0.000	0.000	0.000
54	A	54	ILE	0	0.016	0.021	22.242	-0.002	-0.002	0.000	0.000	0.000	0.000
55	A	55	ALA	0	0.025	0.017	21.098	0.029	0.029	0.000	0.000	0.000	0.000
56	A	56	GLN	0	-0.069	-0.058	21.519	0.011	0.011	0.000	0.000	0.000	0.000
57	A	57	GLU	-1	-0.916	-0.955	23.384	0.331	0.331	0.000	0.000	0.000	0.000
58	A	58	LEU	0	-0.010	-0.020	16.230	0.007	0.007	0.000	0.000	0.000	0.000
59	A	59	LYS	1	0.861	0.924	19.242	-0.260	-0.260	0.000	0.000	0.000	0.000
60	A	60	ASP	-1	-0.880	-0.924	20.283	0.267	0.267	0.000	0.000	0.000	0.000
61	A	61	ARG	1	0.894	0.961	21.009	-0.370	-0.370	0.000	0.000	0.000	0.000
62	A	62	LEU	0	0.001	0.008	13.510	0.054	0.054	0.000	0.000	0.000	0.000
63	A	63	PRO	0	-0.044	-0.003	14.677	-0.055	-0.055	0.000	0.000	0.000	0.000
64	A	64	LEU	0	0.009	-0.018	14.054	0.086	0.086	0.000	0.000	0.000	0.000
65	A	65	PRO	0	0.021	0.019	8.821	-0.087	-0.087	0.000	0.000	0.000	0.000
66	A	66	GLU	-1	-0.834	-0.930	9.053	-0.936	-0.936	0.000	0.000	0.000	0.000
67	A	67	PHE	0	0.020	0.006	6.042	-0.074	-0.074	0.000	0.000	0.000	0.000
68	A	68	VAL	0	-0.066	-0.035	10.560	0.069	0.069	0.000	0.000	0.000	0.000
69	A	69	GLU	-1	-0.968	-0.988	12.979	-0.099	-0.099	0.000	0.000	0.000	0.000
70	A	70	GLU	-1	-0.895	-0.972	16.172	0.159	0.159	0.000	0.000	0.000	0.000
71	A	71	ALA	0	-0.003	0.017	16.573	0.047	0.047	0.000	0.000	0.000	0.000
72	A	72	VAL	0	0.005	-0.014	17.696	-0.043	-0.043	0.000	0.000	0.000	0.000
73	A	73	PRO	0	0.003	0.000	19.848	0.045	0.045	0.000	0.000	0.000	0.000
74	A	74	VAL	0	-0.035	-0.015	20.726	-0.049	-0.049	0.000	0.000	0.000	0.000
75	A	75	GLY	0	0.009	-0.002	22.581	0.021	0.021	0.000	0.000	0.000	0.000
76	A	76	GLY	0	-0.029	-0.032	23.526	0.001	0.001	0.000	0.000	0.000	0.000
77	A	77	TYR	0	0.014	0.005	17.395	0.045	0.045	0.000	0.000	0.000	0.000
78	A	78	LEU	0	-0.011	0.015	16.692	-0.069	-0.069	0.000	0.000	0.000	0.000
79	A	79	ASN	0	0.002	-0.015	15.590	0.171	0.171	0.000	0.000	0.000	0.000
80	A	80	PHE	0	0.025	0.003	12.168	-0.032	-0.032	0.000	0.000	0.000	0.000
81	A	81	ARG	1	0.927	0.992	13.545	-0.087	-0.087	0.000	0.000	0.000	0.000
82	A	82	LEU	0	0.005	0.005	8.405	-0.007	-0.007	0.000	0.000	0.000	0.000
83	A	83	ARG	1	0.926	0.971	12.449	0.381	0.381	0.000	0.000	0.000	0.000
84	A	84	THR	0	0.019	-0.018	13.230	-0.091	-0.091	0.000	0.000	0.000	0.000
85	A	85	GLU	-1	-0.823	-0.881	13.977	-0.599	-0.599	0.000	0.000	0.000	0.000
86	A	86	ALA	0	0.020	0.008	9.987	-0.119	-0.119	0.000	0.000	0.000	0.000
87	A	87	LEU	0	-0.006	0.004	9.450	-0.323	-0.323	0.000	0.000	0.000	0.000
88	A	88	LEU	0	0.019	-0.007	9.738	-0.203	-0.203	0.000	0.000	0.000	0.000
89	A	89	ARG	1	0.852	0.909	10.084	0.807	0.807	0.000	0.000	0.000	0.000
90	A	90	GLU	-1	-0.813	-0.920	2.863	-10.353	-8.146	0.461	-1.356	-1.311	-0.013
91	A	91	ALA	0	-0.017	0.000	6.601	-0.354	-0.354	0.000	0.000	0.000	0.000
92	A	92	LEU	0	-0.056	-0.023	8.967	0.050	0.050	0.000	0.000	0.000	0.000
93	A	93	ARG	1	0.812	0.932	2.538	5.878	6.722	0.375	-0.422	-0.797	-0.002
94	A	94	PRO	0	-0.051	-0.020	8.265	-0.090	-0.090	0.000	0.000	0.000	0.000
95	A	95	LYS	1	0.928	0.945	6.542	1.131	1.131	0.000	0.000	0.000	0.000
96	A	96	ALA	0	-0.037	-0.024	7.838	0.532	0.532	0.000	0.000	0.000	0.000
97	A	97	PRO	0	-0.006	-0.001	7.512	-0.361	-0.361	0.000	0.000	0.000	0.000
98	A	98	PHE	0	0.021	0.014	2.401	-0.604	-0.012	1.055	-0.317	-1.331	0.000
99	A	99	PRO	0	-0.015	-0.015	7.544	0.200	0.200	0.000	0.000	0.000	0.000
100	A	100	ARG	1	0.926	0.974	10.475	0.266	0.266	0.000	0.000	0.000	0.000
101	A	101	ARG	1	0.861	0.918	9.256	-0.078	-0.078	0.000	0.000	0.000	0.000
102	A	102	PRO	0	-0.032	-0.027	14.151	-0.025	-0.025	0.000	0.000	0.000	0.000
103	A	103	GLY	0	0.078	0.036	17.451	0.038	0.038	0.000	0.000	0.000	0.000
104	A	104	VAL	0	0.003	0.005	18.456	-0.007	-0.007	0.000	0.000	0.000	0.000
105	A	105	VAL	0	0.001	0.015	16.062	0.029	0.029	0.000	0.000	0.000	0.000
106	A	106	LEU	0	-0.028	-0.034	19.413	-0.027	-0.027	0.000	0.000	0.000	0.000
107	A	107	VAL	0	-0.007	-0.011	18.948	0.020	0.020	0.000	0.000	0.000	0.000
108	A	108	GLU	-1	-0.830	-0.895	22.160	0.003	0.003	0.000	0.000	0.000	0.000
109	A	109	HIS	0	0.021	0.020	22.641	0.019	0.019	0.000	0.000	0.000	0.000
110	A	110	THR	0	-0.049	-0.038	26.268	-0.011	-0.011	0.000	0.000	0.000	0.000
111	A	111	SER	0	0.014	0.018	29.172	0.004	0.004	0.000	0.000	0.000	0.000
112	A	112	VAL	0	-0.045	-0.004	31.954	0.007	0.007	0.000	0.000	0.000	0.000
113	A	113	ASN	0	0.008	-0.007	34.706	-0.001	-0.001	0.000	0.000	0.000	0.000
114	A	114	PRO	0	0.027	0.032	38.260	-0.003	-0.003	0.000	0.000	0.000	0.000
115	A	115	ASN	0	-0.043	-0.037	39.689	-0.001	-0.001	0.000	0.000	0.000	0.000
116	A	116	LYS	1	0.916	0.966	40.353	0.008	0.008	0.000	0.000	0.000	0.000
117	A	117	GLU	-1	-0.821	-0.900	39.286	-0.023	-0.023	0.000	0.000	0.000	0.000
118	A	118	LEU	0	-0.020	-0.009	32.722	0.005	0.005	0.000	0.000	0.000	0.000
119	A	119	HIS	0	0.040	0.014	35.211	-0.004	-0.004	0.000	0.000	0.000	0.000
120	A	120	VAL	0	0.072	0.016	33.327	-0.001	-0.001	0.000	0.000	0.000	0.000
121	A	121	GLY	0	-0.014	0.005	31.814	0.001	0.001	0.000	0.000	0.000	0.000
122	A	122	HIS	0	0.004	-0.011	30.900	0.001	0.001	0.000	0.000	0.000	0.000
123	A	123	LEU	0	0.020	0.006	28.285	-0.005	-0.005	0.000	0.000	0.000	0.000
124	A	124	ARG	1	0.884	0.932	24.176	-0.053	-0.053	0.000	0.000	0.000	0.000
125	A	125	ASN	0	-0.001	0.039	24.808	-0.013	-0.013	0.000	0.000	0.000	0.000
126	A	126	ILE	0	0.087	0.033	24.715	-0.002	-0.002	0.000	0.000	0.000	0.000
127	A	127	ALA	0	-0.028	-0.010	23.080	-0.013	-0.013	0.000	0.000	0.000	0.000
128	A	128	LEU	0	0.010	-0.013	19.377	-0.014	-0.014	0.000	0.000	0.000	0.000
129	A	129	GLY	0	0.026	0.005	19.651	-0.002	-0.002	0.000	0.000	0.000	0.000
130	A	130	ASP	-1	-0.786	-0.883	20.034	-0.185	-0.185	0.000	0.000	0.000	0.000
131	A	131	ALA	0	0.006	0.007	17.041	-0.031	-0.031	0.000	0.000	0.000	0.000
132	A	132	ILE	0	0.023	0.016	14.018	-0.036	-0.036	0.000	0.000	0.000	0.000
133	A	133	ALA	0	-0.015	0.002	15.201	-0.015	-0.015	0.000	0.000	0.000	0.000
134	A	134	ARG	1	0.802	0.893	15.715	0.235	0.235	0.000	0.000	0.000	0.000
135	A	135	ILE	0	0.002	0.006	10.206	-0.079	-0.079	0.000	0.000	0.000	0.000
136	A	136	LEU	0	0.003	-0.001	10.821	-0.097	-0.097	0.000	0.000	0.000	0.000
137	A	137	ALA	0	-0.012	0.008	11.964	-0.020	-0.020	0.000	0.000	0.000	0.000
138	A	138	TYR	0	0.035	0.019	6.891	0.096	0.096	0.000	0.000	0.000	0.000
139	A	139	ALA	0	0.015	-0.001	7.577	-0.237	-0.237	0.000	0.000	0.000	0.000
140	A	140	GLY	0	0.032	0.029	8.533	0.132	0.132	0.000	0.000	0.000	0.000
141	A	141	ARG	1	0.833	0.920	10.957	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	142	GLU	-1	-0.922	-0.959	13.798	-0.124	-0.124	0.000	0.000	0.000	0.000
143	A	143	VAL	0	-0.031	-0.019	15.889	0.035	0.035	0.000	0.000	0.000	0.000
144	A	144	LEU	0	-0.004	0.008	18.678	-0.014	-0.014	0.000	0.000	0.000	0.000
145	A	145	VAL	0	-0.023	-0.008	21.490	0.018	0.018	0.000	0.000	0.000	0.000
146	A	146	LEU	0	-0.029	-0.012	23.805	-0.003	-0.003	0.000	0.000	0.000	0.000
147	A	147	ASN	0	0.034	0.003	27.243	0.013	0.013	0.000	0.000	0.000	0.000
148	A	148	TYR	0	-0.055	-0.085	29.878	-0.001	-0.001	0.000	0.000	0.000	0.000
149	A	149	ILE	0	-0.015	-0.012	32.724	-0.001	-0.001	0.000	0.000	0.000	0.000
150	A	150	ASP	-1	-0.852	-0.938	36.152	0.010	0.010	0.000	0.000	0.000	0.000
151	A	151	ASP	-1	-0.801	-0.899	38.823	-0.009	-0.009	0.000	0.000	0.000	0.000
152	A	152	THR	0	-0.018	-0.007	41.760	0.000	0.000	0.000	0.000	0.000	0.000
153	A	153	GLY	0	0.089	0.056	42.762	0.003	0.003	0.000	0.000	0.000	0.000
154	A	154	ARG	1	0.958	0.960	43.685	-0.015	-0.015	0.000	0.000	0.000	0.000
155	A	155	GLN	0	-0.007	0.007	42.127	-0.003	-0.003	0.000	0.000	0.000	0.000
156	A	156	ALA	0	0.072	0.025	43.225	-0.002	-0.002	0.000	0.000	0.000	0.000
157	A	157	ALA	0	0.026	0.023	45.003	-0.002	-0.002	0.000	0.000	0.000	0.000
158	A	158	GLU	-1	-0.813	-0.891	47.914	0.004	0.004	0.000	0.000	0.000	0.000
159	A	159	THR	0	-0.042	-0.018	45.573	-0.001	-0.001	0.000	0.000	0.000	0.000
160	A	160	LEU	0	0.028	0.016	47.322	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	161	PHE	0	0.024	0.015	50.168	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	162	ALA	0	-0.012	-0.006	51.383	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	163	LEU	0	-0.017	-0.015	48.814	-0.001	-0.001	0.000	0.000	0.000	0.000
164	A	164	ARG	1	0.948	0.983	53.199	0.011	0.011	0.000	0.000	0.000	0.000
165	A	165	HIS	0	-0.007	0.004	56.259	0.000	0.000	0.000	0.000	0.000	0.000
166	A	166	TYR	0	-0.101	-0.080	54.570	0.000	0.000	0.000	0.000	0.000	0.000
167	A	167	GLY	0	-0.016	-0.002	58.140	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	168	LEU	0	-0.070	-0.031	53.316	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	169	THR	0	-0.002	-0.012	55.053	0.000	0.000	0.000	0.000	0.000	0.000
170	A	170	TRP	0	-0.046	-0.011	47.274	0.001	0.001	0.000	0.000	0.000	0.000
171	A	171	ASP	-1	-0.828	-0.893	51.103	-0.036	-0.036	0.000	0.000	0.000	0.000
172	A	172	GLY	0	-0.007	-0.031	50.553	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	173	LYS	1	0.853	0.915	48.687	0.036	0.036	0.000	0.000	0.000	0.000
174	A	174	GLU	-1	-0.775	-0.878	47.000	-0.032	-0.032	0.000	0.000	0.000	0.000
175	A	175	LYS	1	0.819	0.904	37.823	0.052	0.052	0.000	0.000	0.000	0.000
176	A	176	TYR	0	0.038	0.000	43.822	0.003	0.003	0.000	0.000	0.000	0.000
177	A	177	ASP	-1	-0.746	-0.887	39.340	-0.038	-0.038	0.000	0.000	0.000	0.000
178	A	178	HIS	0	0.000	-0.009	39.968	0.006	0.006	0.000	0.000	0.000	0.000
179	A	179	PHE	0	-0.063	-0.015	44.323	0.004	0.004	0.000	0.000	0.000	0.000
180	A	180	ALA	0	-0.019	-0.014	44.918	0.003	0.003	0.000	0.000	0.000	0.000
181	A	181	GLY	0	0.067	0.017	44.877	0.003	0.003	0.000	0.000	0.000	0.000
182	A	182	ARG	1	0.807	0.896	45.668	0.027	0.027	0.000	0.000	0.000	0.000
183	A	183	ALA	0	-0.009	0.005	48.933	0.002	0.002	0.000	0.000	0.000	0.000
184	A	184	TYR	0	-0.050	-0.045	45.431	0.002	0.002	0.000	0.000	0.000	0.000
185	A	185	VAL	0	-0.018	-0.020	46.938	0.003	0.003	0.000	0.000	0.000	0.000
186	A	186	ARG	1	0.881	0.949	49.418	0.012	0.012	0.000	0.000	0.000	0.000
187	A	187	LEU	0	0.062	0.032	50.960	0.001	0.001	0.000	0.000	0.000	0.000
188	A	188	HIS	1	0.803	0.898	48.610	-0.003	-0.003	0.000	0.000	0.000	0.000
189	A	189	GLN	0	-0.085	-0.034	51.910	0.002	0.002	0.000	0.000	0.000	0.000
190	A	190	ASP	-1	-0.825	-0.880	54.252	-0.001	-0.001	0.000	0.000	0.000	0.000
191	A	191	PRO	0	-0.020	-0.019	57.203	0.001	0.001	0.000	0.000	0.000	0.000
192	A	192	GLU	-1	-0.994	-0.991	59.863	0.002	0.002	0.000	0.000	0.000	0.000
193	A	193	TYR	0	-0.018	-0.038	50.697	0.000	0.000	0.000	0.000	0.000	0.000
194	A	194	GLU	-1	-0.896	-0.953	55.403	0.013	0.013	0.000	0.000	0.000	0.000
195	A	195	ARG	1	0.908	0.954	57.870	-0.004	-0.004	0.000	0.000	0.000	0.000
196	A	196	LEU	0	0.003	0.002	57.197	0.000	0.000	0.000	0.000	0.000	0.000
197	A	197	GLN	0	-0.017	-0.006	53.513	0.000	0.000	0.000	0.000	0.000	0.000
198	A	198	PRO	0	-0.008	-0.006	56.190	0.000	0.000	0.000	0.000	0.000	0.000
199	A	199	ALA	0	0.060	0.033	58.028	0.000	0.000	0.000	0.000	0.000	0.000
200	A	200	ILE	0	-0.024	-0.012	51.884	-0.001	-0.001	0.000	0.000	0.000	0.000
201	A	201	GLU	-1	-0.867	-0.945	53.200	0.011	0.011	0.000	0.000	0.000	0.000
202	A	202	GLU	-1	-0.979	-0.979	54.301	0.001	0.001	0.000	0.000	0.000	0.000
203	A	203	VAL	0	-0.029	-0.015	51.142	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	204	LEU	0	-0.025	-0.011	47.681	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	205	HIS	0	0.018	0.019	50.308	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	206	ALA	0	0.036	0.011	52.108	0.000	0.000	0.000	0.000	0.000	0.000
207	A	207	LEU	0	-0.058	-0.025	45.639	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	208	GLU	-1	-0.934	-0.982	47.258	0.010	0.010	0.000	0.000	0.000	0.000
209	A	209	ARG	1	0.748	0.876	48.155	0.001	0.001	0.000	0.000	0.000	0.000
210	A	210	GLY	0	-0.028	-0.015	47.121	-0.001	-0.001	0.000	0.000	0.000	0.000
211	A	211	GLU	-1	-0.928	-0.946	48.002	-0.007	-0.007	0.000	0.000	0.000	0.000
212	A	212	LEU	0	-0.022	0.005	48.756	-0.001	-0.001	0.000	0.000	0.000	0.000
213	A	213	ARG	1	0.888	0.935	40.112	0.021	0.021	0.000	0.000	0.000	0.000
214	A	214	GLU	-1	-0.900	-0.953	44.653	-0.033	-0.033	0.000	0.000	0.000	0.000
215	A	215	GLU	-1	-0.908	-0.971	45.884	-0.022	-0.022	0.000	0.000	0.000	0.000
216	A	216	VAL	0	-0.021	-0.002	41.562	-0.001	-0.001	0.000	0.000	0.000	0.000
217	A	217	ASN	0	0.078	0.036	40.359	-0.003	-0.003	0.000	0.000	0.000	0.000
218	A	218	ARG	1	0.896	0.968	41.451	0.029	0.029	0.000	0.000	0.000	0.000
219	A	219	ILE	0	-0.020	-0.005	40.953	-0.003	-0.003	0.000	0.000	0.000	0.000
220	A	220	LEU	0	0.030	0.024	35.225	-0.002	-0.002	0.000	0.000	0.000	0.000
221	A	221	LEU	0	-0.010	-0.004	37.346	-0.005	-0.005	0.000	0.000	0.000	0.000
222	A	222	ALA	0	-0.029	-0.011	37.881	-0.006	-0.006	0.000	0.000	0.000	0.000
223	A	223	GLN	0	-0.020	-0.021	35.843	-0.004	-0.004	0.000	0.000	0.000	0.000
224	A	224	MET	0	-0.028	-0.018	32.712	-0.006	-0.006	0.000	0.000	0.000	0.000
225	A	225	ALA	0	0.014	0.013	33.205	-0.009	-0.009	0.000	0.000	0.000	0.000
226	A	226	THR	0	-0.046	-0.048	32.773	-0.006	-0.006	0.000	0.000	0.000	0.000
227	A	227	MET	0	-0.052	-0.015	29.711	-0.005	-0.005	0.000	0.000	0.000	0.000
228	A	228	HIS	0	0.045	0.026	28.821	-0.008	-0.008	0.000	0.000	0.000	0.000
229	A	229	ALA	0	-0.022	-0.002	29.210	-0.013	-0.013	0.000	0.000	0.000	0.000
230	A	230	LEU	0	-0.061	-0.029	27.302	-0.005	-0.005	0.000	0.000	0.000	0.000
231	A	231	ASN	0	-0.090	-0.060	22.604	-0.006	-0.006	0.000	0.000	0.000	0.000
232	A	232	ALA	0	0.014	0.033	23.756	-0.016	-0.016	0.000	0.000	0.000	0.000
233	A	233	ARG	1	0.896	0.942	19.262	0.200	0.200	0.000	0.000	0.000	0.000
234	A	234	TYR	0	-0.023	-0.048	24.524	0.009	0.009	0.000	0.000	0.000	0.000
235	A	235	ASP	-1	-0.834	-0.898	23.535	-0.135	-0.135	0.000	0.000	0.000	0.000
236	A	236	LEU	0	-0.055	-0.046	26.877	0.006	0.006	0.000	0.000	0.000	0.000
237	A	237	LEU	0	0.024	0.024	29.563	0.001	0.001	0.000	0.000	0.000	0.000
238	A	238	VAL	0	-0.023	-0.018	31.875	0.001	0.001	0.000	0.000	0.000	0.000
239	A	239	TRP	0	-0.003	-0.002	34.299	0.003	0.003	0.000	0.000	0.000	0.000
240	A	240	GLU	-1	-0.745	-0.833	37.792	0.017	0.017	0.000	0.000	0.000	0.000
241	A	241	SER	0	-0.015	-0.054	39.524	0.002	0.002	0.000	0.000	0.000	0.000
242	A	242	ASP	-1	-0.756	-0.836	38.951	-0.016	-0.016	0.000	0.000	0.000	0.000
243	A	243	ILE	0	-0.007	-0.001	35.386	0.002	0.002	0.000	0.000	0.000	0.000
244	A	244	VAL	0	-0.044	-0.017	39.449	0.004	0.004	0.000	0.000	0.000	0.000
245	A	245	ARG	1	0.862	0.922	42.272	0.010	0.010	0.000	0.000	0.000	0.000
246	A	246	ALA	0	-0.047	-0.009	39.691	0.001	0.001	0.000	0.000	0.000	0.000
247	A	247	GLY	0	0.005	-0.006	41.725	0.003	0.003	0.000	0.000	0.000	0.000
248	A	248	LEU	0	-0.015	-0.012	35.969	0.004	0.004	0.000	0.000	0.000	0.000
249	A	249	LEU	0	0.022	0.009	39.882	0.004	0.004	0.000	0.000	0.000	0.000
250	A	250	GLN	0	0.037	0.006	41.597	0.004	0.004	0.000	0.000	0.000	0.000
251	A	251	LYS	1	0.920	0.983	40.572	-0.017	-0.017	0.000	0.000	0.000	0.000
252	A	252	ALA	0	0.016	0.021	38.354	0.004	0.004	0.000	0.000	0.000	0.000
253	A	253	LEU	0	-0.021	-0.028	39.802	0.004	0.004	0.000	0.000	0.000	0.000
254	A	254	ALA	0	0.022	0.013	42.914	0.002	0.002	0.000	0.000	0.000	0.000
255	A	255	LEU	0	-0.010	0.009	36.868	0.002	0.002	0.000	0.000	0.000	0.000
256	A	256	LEU	0	0.002	-0.020	37.541	0.005	0.005	0.000	0.000	0.000	0.000
257	A	257	GLU	-1	-0.918	-0.971	41.152	0.048	0.048	0.000	0.000	0.000	0.000
258	A	258	GLN	0	-0.041	-0.009	42.047	-0.004	-0.004	0.000	0.000	0.000	0.000
259	A	259	SER	0	-0.020	-0.003	40.581	0.003	0.003	0.000	0.000	0.000	0.000
260	A	260	PRO	0	0.002	-0.005	42.449	-0.003	-0.003	0.000	0.000	0.000	0.000
261	A	261	HIS	0	0.005	-0.001	40.765	-0.004	-0.004	0.000	0.000	0.000	0.000
262	A	262	VAL	0	-0.017	0.020	41.496	0.000	0.000	0.000	0.000	0.000	0.000
263	A	263	PHE	0	0.007	0.005	44.302	-0.004	-0.004	0.000	0.000	0.000	0.000
264	A	264	ARG	1	0.968	0.969	48.008	-0.043	-0.043	0.000	0.000	0.000	0.000
265	A	265	PRO	0	-0.037	0.004	49.556	-0.001	-0.001	0.000	0.000	0.000	0.000
266	A	266	ARG	1	0.928	0.965	52.355	-0.054	-0.054	0.000	0.000	0.000	0.000
267	A	267	GLU	-1	-0.909	-0.965	55.562	0.042	0.042	0.000	0.000	0.000	0.000
268	A	268	GLY	0	0.042	0.027	54.634	0.002	0.002	0.000	0.000	0.000	0.000
269	A	269	LYS	1	0.914	0.952	49.688	-0.057	-0.057	0.000	0.000	0.000	0.000
270	A	270	TYR	0	0.003	-0.017	46.513	-0.002	-0.002	0.000	0.000	0.000	0.000
271	A	271	ALA	0	0.006	0.017	51.674	0.000	0.000	0.000	0.000	0.000	0.000
272	A	272	GLY	0	-0.020	-0.005	54.341	-0.002	-0.002	0.000	0.000	0.000	0.000
273	A	273	ALA	0	-0.048	-0.027	49.162	-0.002	-0.002	0.000	0.000	0.000	0.000
274	A	274	LEU	0	-0.054	-0.020	45.363	0.001	0.001	0.000	0.000	0.000	0.000
275	A	275	VAL	0	-0.013	-0.011	44.432	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	276	MET	0	-0.003	0.008	37.681	0.001	0.001	0.000	0.000	0.000	0.000
277	A	277	ASP	-1	-0.818	-0.896	41.602	0.092	0.092	0.000	0.000	0.000	0.000
278	A	278	ALA	0	0.026	-0.016	36.621	0.003	0.003	0.000	0.000	0.000	0.000
279	A	279	SER	0	-0.007	-0.026	37.247	0.009	0.009	0.000	0.000	0.000	0.000
280	A	280	PRO	0	-0.090	-0.036	38.356	0.007	0.007	0.000	0.000	0.000	0.000
281	A	281	VAL	0	-0.052	-0.018	33.454	0.006	0.006	0.000	0.000	0.000	0.000
282	A	282	ILE	0	-0.070	-0.020	32.615	0.012	0.012	0.000	0.000	0.000	0.000
283	A	283	PRO	0	0.007	0.005	33.400	-0.008	-0.008	0.000	0.000	0.000	0.000
284	A	284	GLY	0	-0.019	-0.015	35.870	0.003	0.003	0.000	0.000	0.000	0.000
285	A	285	LEU	0	-0.013	-0.017	36.074	0.001	0.001	0.000	0.000	0.000	0.000
286	A	286	GLU	-1	-0.991	-0.984	39.777	0.077	0.077	0.000	0.000	0.000	0.000
287	A	287	ASP	-1	-0.776	-0.892	42.461	0.070	0.070	0.000	0.000	0.000	0.000
288	A	288	PRO	0	-0.070	-0.027	40.315	0.001	0.001	0.000	0.000	0.000	0.000
289	A	289	PHE	0	-0.011	-0.002	41.033	0.000	0.000	0.000	0.000	0.000	0.000
290	A	290	PHE	0	0.026	0.025	35.937	-0.003	-0.003	0.000	0.000	0.000	0.000
291	A	291	VAL	0	-0.021	-0.018	41.362	-0.002	-0.002	0.000	0.000	0.000	0.000
292	A	292	LEU	0	-0.004	-0.011	40.056	-0.001	-0.001	0.000	0.000	0.000	0.000
293	A	293	LEU	0	0.008	-0.006	43.457	-0.004	-0.004	0.000	0.000	0.000	0.000
294	A	294	ARG	1	0.963	0.987	45.380	-0.036	-0.036	0.000	0.000	0.000	0.000
295	A	295	SER	0	0.042	0.023	49.472	-0.001	-0.001	0.000	0.000	0.000	0.000
296	A	296	ASN	0	-0.010	-0.002	51.871	0.001	0.001	0.000	0.000	0.000	0.000
297	A	297	GLY	0	0.050	0.023	51.511	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	298	THR	0	-0.067	-0.029	47.627	-0.001	-0.001	0.000	0.000	0.000	0.000
299	A	299	ALA	0	0.024	0.007	43.998	0.003	0.003	0.000	0.000	0.000	0.000
300	A	300	THR	0	-0.068	0.001	41.211	-0.003	-0.003	0.000	0.000	0.000	0.000
301	A	301	TYR	0	0.079	0.011	38.749	0.000	0.000	0.000	0.000	0.000	0.000
302	A	302	TYR	0	0.064	0.026	37.243	0.001	0.001	0.000	0.000	0.000	0.000
303	A	303	ALA	0	0.022	0.004	37.371	0.003	0.003	0.000	0.000	0.000	0.000
304	A	304	LYS	1	0.859	0.934	38.467	-0.024	-0.024	0.000	0.000	0.000	0.000
305	A	305	ASP	-1	-0.860	-0.925	33.635	0.047	0.047	0.000	0.000	0.000	0.000
306	A	306	ILE	0	-0.048	-0.023	33.570	0.002	0.002	0.000	0.000	0.000	0.000
307	A	307	ALA	0	-0.007	-0.008	34.274	0.001	0.001	0.000	0.000	0.000	0.000
308	A	308	PHE	0	0.024	0.007	31.567	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	309	GLN	0	-0.015	-0.037	26.476	-0.007	-0.007	0.000	0.000	0.000	0.000
310	A	310	PHE	0	0.027	-0.017	30.138	0.003	0.003	0.000	0.000	0.000	0.000
311	A	311	TRP	0	-0.025	0.003	30.278	0.000	0.000	0.000	0.000	0.000	0.000
312	A	312	LYS	1	0.842	0.910	27.170	-0.035	-0.035	0.000	0.000	0.000	0.000
313	A	313	MET	0	-0.027	0.019	24.577	-0.004	-0.004	0.000	0.000	0.000	0.000
314	A	314	GLY	0	-0.029	-0.049	28.091	0.005	0.005	0.000	0.000	0.000	0.000
315	A	315	ILE	0	-0.041	0.014	30.754	-0.001	-0.001	0.000	0.000	0.000	0.000
316	A	316	LEU	0	-0.046	-0.018	33.221	-0.003	-0.003	0.000	0.000	0.000	0.000
317	A	317	GLU	-1	-0.909	-0.959	34.524	0.016	0.016	0.000	0.000	0.000	0.000
318	A	318	GLY	0	-0.048	-0.054	36.798	0.002	0.002	0.000	0.000	0.000	0.000
319	A	319	LEU	0	0.002	0.020	34.159	-0.003	-0.003	0.000	0.000	0.000	0.000
320	A	320	ARG	1	0.906	0.962	36.776	0.011	0.011	0.000	0.000	0.000	0.000
321	A	321	PHE	0	0.022	0.005	32.826	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	322	ARG	1	0.895	0.962	36.348	0.041	0.041	0.000	0.000	0.000	0.000
323	A	323	PRO	0	0.008	-0.003	35.288	0.000	0.000	0.000	0.000	0.000	0.000
324	A	324	TYR	0	-0.024	-0.031	34.766	0.005	0.005	0.000	0.000	0.000	0.000
325	A	325	GLU	-1	-0.939	-0.955	36.243	-0.064	-0.064	0.000	0.000	0.000	0.000
326	A	326	ASN	0	0.006	-0.007	33.856	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	327	PRO	0	-0.028	-0.013	36.659	-0.004	-0.004	0.000	0.000	0.000	0.000
328	A	328	TYR	0	-0.002	0.000	32.227	-0.005	-0.005	0.000	0.000	0.000	0.000
329	A	329	TYR	0	-0.015	-0.034	27.491	-0.008	-0.008	0.000	0.000	0.000	0.000
330	A	330	PRO	0	0.011	0.000	30.038	0.008	0.008	0.000	0.000	0.000	0.000
331	A	331	GLY	0	-0.002	-0.003	29.367	0.006	0.006	0.000	0.000	0.000	0.000
332	A	332	LEU	0	-0.024	0.025	29.534	0.004	0.004	0.000	0.000	0.000	0.000
333	A	333	ARG	1	0.936	0.972	30.651	0.061	0.061	0.000	0.000	0.000	0.000
334	A	334	THR	0	-0.002	-0.013	32.388	0.003	0.003	0.000	0.000	0.000	0.000
335	A	335	SER	0	-0.027	-0.021	35.052	0.000	0.000	0.000	0.000	0.000	0.000
336	A	336	ALA	0	-0.018	-0.023	36.770	-0.003	-0.003	0.000	0.000	0.000	0.000
337	A	337	PRO	0	-0.016	-0.011	40.472	0.002	0.002	0.000	0.000	0.000	0.000
338	A	338	GLU	-1	-0.899	-0.947	43.257	-0.016	-0.016	0.000	0.000	0.000	0.000
339	A	339	GLY	0	-0.006	-0.017	39.555	-0.004	-0.004	0.000	0.000	0.000	0.000
340	A	340	GLU	-1	-0.963	-0.977	34.675	-0.038	-0.038	0.000	0.000	0.000	0.000
341	A	341	ALA	0	-0.037	-0.017	36.540	0.000	0.000	0.000	0.000	0.000	0.000
342	A	342	TYR	0	0.014	-0.001	26.955	-0.003	-0.003	0.000	0.000	0.000	0.000
343	A	343	THR	0	0.030	0.049	30.190	0.001	0.001	0.000	0.000	0.000	0.000
344	A	344	PRO	0	-0.036	-0.021	26.121	-0.003	-0.003	0.000	0.000	0.000	0.000
345	A	345	LYS	1	0.938	0.972	25.822	-0.016	-0.016	0.000	0.000	0.000	0.000
346	A	346	ALA	0	-0.046	-0.008	23.212	0.004	0.004	0.000	0.000	0.000	0.000
347	A	347	GLU	-1	-0.903	-0.936	20.065	0.135	0.135	0.000	0.000	0.000	0.000
348	A	348	GLU	-1	-0.889	-0.968	16.732	0.241	0.241	0.000	0.000	0.000	0.000
349	A	349	THR	0	0.001	0.019	21.068	-0.025	-0.025	0.000	0.000	0.000	0.000
350	A	350	ILE	0	-0.037	-0.016	17.432	0.023	0.023	0.000	0.000	0.000	0.000
351	A	351	ASN	0	0.047	0.035	22.027	-0.027	-0.027	0.000	0.000	0.000	0.000
352	A	352	VAL	0	-0.018	-0.006	22.302	0.014	0.014	0.000	0.000	0.000	0.000
353	A	353	VAL	0	-0.034	-0.027	24.881	-0.009	-0.009	0.000	0.000	0.000	0.000
354	A	354	ASP	-1	-0.837	-0.916	27.776	0.051	0.051	0.000	0.000	0.000	0.000
355	A	355	VAL	0	-0.009	-0.017	28.347	0.005	0.005	0.000	0.000	0.000	0.000
356	A	356	ARG	1	0.794	0.877	30.608	-0.062	-0.062	0.000	0.000	0.000	0.000
357	A	357	GLN	0	-0.013	0.013	34.354	0.006	0.006	0.000	0.000	0.000	0.000
358	A	358	SER	0	-0.010	-0.009	29.953	-0.003	-0.003	0.000	0.000	0.000	0.000
359	A	359	HIS	0	0.056	0.030	32.150	0.003	0.003	0.000	0.000	0.000	0.000
360	A	360	PRO	0	0.012	0.003	31.421	0.007	0.007	0.000	0.000	0.000	0.000
361	A	361	GLN	0	0.063	0.016	24.293	-0.002	-0.002	0.000	0.000	0.000	0.000
362	A	362	ALA	0	0.014	0.000	29.542	0.002	0.002	0.000	0.000	0.000	0.000
363	A	363	LEU	0	0.004	0.030	31.875	0.000	0.000	0.000	0.000	0.000	0.000
364	A	364	VAL	0	0.052	0.013	28.928	0.000	0.000	0.000	0.000	0.000	0.000
365	A	365	ARG	1	0.892	0.971	23.485	-0.181	-0.181	0.000	0.000	0.000	0.000
366	A	366	ALA	0	0.050	0.011	30.094	0.003	0.003	0.000	0.000	0.000	0.000
367	A	367	ALA	0	0.013	0.003	33.539	-0.002	-0.002	0.000	0.000	0.000	0.000
368	A	368	LEU	0	-0.032	-0.015	27.998	-0.004	-0.004	0.000	0.000	0.000	0.000
369	A	369	ALA	0	0.026	0.014	31.513	0.001	0.001	0.000	0.000	0.000	0.000
370	A	370	LEU	0	-0.038	-0.021	32.720	-0.002	-0.002	0.000	0.000	0.000	0.000
371	A	371	ALA	0	-0.044	-0.008	34.650	-0.005	-0.005	0.000	0.000	0.000	0.000
372	A	372	GLY	0	-0.032	-0.014	34.705	-0.004	-0.004	0.000	0.000	0.000	0.000
373	A	373	TYR	0	-0.031	-0.027	29.717	0.002	0.002	0.000	0.000	0.000	0.000
374	A	374	PRO	0	0.016	-0.003	29.378	0.005	0.005	0.000	0.000	0.000	0.000
375	A	375	ALA	0	0.010	0.003	24.707	0.011	0.011	0.000	0.000	0.000	0.000
376	A	376	LEU	0	0.067	0.013	24.411	0.013	0.013	0.000	0.000	0.000	0.000
377	A	377	ALA	0	0.012	0.020	25.455	-0.004	-0.004	0.000	0.000	0.000	0.000
378	A	378	GLU	-1	-0.946	-0.980	22.820	0.227	0.227	0.000	0.000	0.000	0.000
379	A	379	LYS	1	0.870	0.940	17.547	-0.285	-0.285	0.000	0.000	0.000	0.000
380	A	380	ALA	0	0.006	0.020	22.197	-0.018	-0.018	0.000	0.000	0.000	0.000
381	A	381	HIS	0	-0.076	-0.055	18.633	0.011	0.011	0.000	0.000	0.000	0.000
382	A	382	HIS	0	0.014	0.007	22.576	-0.020	-0.020	0.000	0.000	0.000	0.000
383	A	383	LEU	0	-0.026	-0.008	19.263	0.018	0.018	0.000	0.000	0.000	0.000
384	A	384	ALA	0	0.014	-0.002	22.697	-0.018	-0.018	0.000	0.000	0.000	0.000
385	A	385	TYR	0	-0.029	-0.011	24.673	0.006	0.006	0.000	0.000	0.000	0.000
386	A	386	GLU	-1	-0.788	-0.882	26.363	0.066	0.066	0.000	0.000	0.000	0.000
387	A	387	THR	0	-0.049	-0.024	29.128	-0.011	-0.011	0.000	0.000	0.000	0.000
388	A	388	VAL	0	0.002	-0.008	29.078	0.004	0.004	0.000	0.000	0.000	0.000
389	A	389	LEU	0	-0.079	-0.034	31.759	-0.002	-0.002	0.000	0.000	0.000	0.000
390	A	390	LEU	0	0.033	0.019	33.715	-0.004	-0.004	0.000	0.000	0.000	0.000
391	A	391	GLU	-1	-0.893	-0.968	35.757	-0.016	-0.016	0.000	0.000	0.000	0.000
392	A	392	GLY	0	-0.039	-0.019	36.405	0.002	0.002	0.000	0.000	0.000	0.000
393	A	393	ARG	1	0.856	0.937	37.926	0.000	0.000	0.000	0.000	0.000	0.000
394	A	394	GLN	0	0.069	0.027	36.638	-0.005	-0.005	0.000	0.000	0.000	0.000
395	A	395	MET	0	-0.029	0.001	37.377	-0.003	-0.003	0.000	0.000	0.000	0.000
396	A	396	SER	0	0.039	0.013	39.350	0.001	0.001	0.000	0.000	0.000	0.000
397	A	397	GLY	0	-0.039	-0.009	41.452	0.003	0.003	0.000	0.000	0.000	0.000
398	A	398	ARG	1	0.935	0.956	44.658	-0.017	-0.017	0.000	0.000	0.000	0.000
399	A	399	LYS	1	0.907	0.955	46.530	0.011	0.011	0.000	0.000	0.000	0.000
400	A	400	GLY	0	0.054	0.030	46.245	-0.002	-0.002	0.000	0.000	0.000	0.000
401	A	401	LEU	0	0.015	0.014	42.895	0.002	0.002	0.000	0.000	0.000	0.000
402	A	402	ALA	0	-0.043	-0.025	40.547	0.001	0.001	0.000	0.000	0.000	0.000
403	A	403	VAL	0	0.037	0.008	38.735	-0.001	-0.001	0.000	0.000	0.000	0.000
404	A	404	SER	0	0.021	0.011	38.168	0.000	0.000	0.000	0.000	0.000	0.000
405	A	405	VAL	0	0.018	-0.007	32.298	-0.001	-0.001	0.000	0.000	0.000	0.000
406	A	406	ASP	-1	-0.713	-0.822	35.116	-0.060	-0.060	0.000	0.000	0.000	0.000
407	A	407	GLU	-1	-0.844	-0.926	37.091	-0.033	-0.033	0.000	0.000	0.000	0.000
408	A	408	VAL	0	-0.013	-0.007	33.235	-0.002	-0.002	0.000	0.000	0.000	0.000
409	A	409	LEU	0	-0.004	-0.010	30.990	-0.004	-0.004	0.000	0.000	0.000	0.000
410	A	410	GLU	-1	-0.917	-0.933	34.514	-0.056	-0.056	0.000	0.000	0.000	0.000
411	A	411	GLU	-1	-0.825	-0.901	37.808	-0.048	-0.048	0.000	0.000	0.000	0.000
412	A	412	ALA	0	-0.021	-0.026	32.769	-0.001	-0.001	0.000	0.000	0.000	0.000
413	A	413	THR	0	-0.001	-0.020	34.564	-0.008	-0.008	0.000	0.000	0.000	0.000
414	A	414	ARG	1	0.869	0.946	35.427	0.051	0.051	0.000	0.000	0.000	0.000
415	A	415	ARG	1	0.853	0.906	36.164	0.041	0.041	0.000	0.000	0.000	0.000
416	A	416	ALA	0	0.016	0.021	33.111	-0.001	-0.001	0.000	0.000	0.000	0.000
417	A	417	ARG	1	0.893	0.940	34.817	0.090	0.090	0.000	0.000	0.000	0.000
418	A	418	ALA	0	-0.023	-0.010	37.530	-0.002	-0.002	0.000	0.000	0.000	0.000
419	A	419	ILE	0	0.002	0.002	33.683	-0.001	-0.001	0.000	0.000	0.000	0.000
420	A	420	VAL	0	-0.037	-0.030	33.362	-0.004	-0.004	0.000	0.000	0.000	0.000
421	A	421	GLU	-1	-0.915	-0.970	35.966	-0.095	-0.095	0.000	0.000	0.000	0.000
422	A	422	GLU	-1	-0.962	-0.970	37.955	-0.074	-0.074	0.000	0.000	0.000	0.000
423	A	423	LYS	1	0.904	0.949	32.797	0.096	0.096	0.000	0.000	0.000	0.000
424	A	424	ASN	0	-0.033	-0.010	33.493	-0.002	-0.002	0.000	0.000	0.000	0.000
425	A	425	PRO	0	0.081	0.045	36.641	-0.003	-0.003	0.000	0.000	0.000	0.000
426	A	426	ASP	-1	-0.950	-0.946	38.112	-0.126	-0.126	0.000	0.000	0.000	0.000
427	A	427	HIS	0	-0.027	-0.018	31.556	-0.004	-0.004	0.000	0.000	0.000	0.000
428	A	428	PRO	0	-0.019	-0.013	34.772	0.006	0.006	0.000	0.000	0.000	0.000
429	A	429	ASP	-1	-0.862	-0.932	34.719	-0.129	-0.129	0.000	0.000	0.000	0.000
430	A	430	LYS	1	0.815	0.890	34.850	0.104	0.104	0.000	0.000	0.000	0.000
431	A	431	GLU	-1	-0.891	-0.936	35.590	-0.099	-0.099	0.000	0.000	0.000	0.000
432	A	432	GLU	-1	-0.773	-0.872	30.660	-0.170	-0.170	0.000	0.000	0.000	0.000
433	A	433	ALA	0	-0.034	-0.018	30.975	-0.008	-0.008	0.000	0.000	0.000	0.000
434	A	434	ALA	0	0.001	-0.005	31.087	-0.002	-0.002	0.000	0.000	0.000	0.000
435	A	435	ARG	1	0.896	0.946	27.802	0.167	0.167	0.000	0.000	0.000	0.000
436	A	436	MET	0	-0.049	-0.024	26.971	-0.006	-0.006	0.000	0.000	0.000	0.000
437	A	437	VAL	0	0.038	0.030	27.191	-0.003	-0.003	0.000	0.000	0.000	0.000
438	A	438	ALA	0	0.002	0.009	28.488	0.007	0.007	0.000	0.000	0.000	0.000
439	A	439	LEU	0	-0.025	-0.007	25.543	0.008	0.008	0.000	0.000	0.000	0.000
440	A	440	GLY	0	0.044	0.007	24.181	0.001	0.001	0.000	0.000	0.000	0.000
441	A	441	ALA	0	-0.024	-0.010	24.423	0.008	0.008	0.000	0.000	0.000	0.000
442	A	442	ILE	0	-0.021	-0.013	26.433	0.014	0.014	0.000	0.000	0.000	0.000
443	A	443	ARG	1	0.829	0.921	20.584	0.153	0.153	0.000	0.000	0.000	0.000
444	A	444	PHE	0	0.036	0.021	18.238	0.007	0.007	0.000	0.000	0.000	0.000
445	A	445	SER	0	-0.031	-0.012	22.238	0.025	0.025	0.000	0.000	0.000	0.000
446	A	446	MET	0	-0.051	-0.030	24.414	0.021	0.021	0.000	0.000	0.000	0.000
447	A	447	VAL	0	-0.011	-0.006	18.296	0.015	0.015	0.000	0.000	0.000	0.000
448	A	448	LYS	1	0.949	0.982	19.367	0.016	0.016	0.000	0.000	0.000	0.000
449	A	449	THR	0	-0.045	-0.015	20.292	0.025	0.025	0.000	0.000	0.000	0.000
450	A	450	GLU	-1	-0.916	-0.953	20.027	0.196	0.196	0.000	0.000	0.000	0.000
451	A	451	PRO	0	0.049	0.017	20.124	-0.014	-0.014	0.000	0.000	0.000	0.000
452	A	452	LYN	0	0.073	0.034	21.340	-0.023	-0.023	0.000	0.000	0.000	0.000
453	A	453	LYS	1	0.902	0.967	24.464	-0.157	-0.157	0.000	0.000	0.000	0.000
454	A	454	GLN	0	0.007	0.018	26.976	-0.008	-0.008	0.000	0.000	0.000	0.000
455	A	455	ILE	0	0.003	0.007	25.146	0.003	0.003	0.000	0.000	0.000	0.000
456	A	456	ASP	-1	-0.834	-0.902	29.358	0.009	0.009	0.000	0.000	0.000	0.000
457	A	457	PHE	0	-0.009	-0.009	29.054	-0.003	-0.003	0.000	0.000	0.000	0.000
458	A	458	ARG	1	0.970	0.981	31.880	-0.003	-0.003	0.000	0.000	0.000	0.000
459	A	459	TYR	0	0.019	0.013	32.872	-0.005	-0.005	0.000	0.000	0.000	0.000
460	A	460	GLN	0	-0.001	-0.006	33.146	-0.006	-0.006	0.000	0.000	0.000	0.000
461	A	461	GLU	-1	-0.946	-0.976	30.428	-0.005	-0.005	0.000	0.000	0.000	0.000
462	A	462	ALA	0	-0.016	-0.013	28.826	-0.003	-0.003	0.000	0.000	0.000	0.000
463	A	463	LEU	0	-0.010	-0.028	28.484	-0.010	-0.010	0.000	0.000	0.000	0.000
464	A	464	SER	0	-0.001	0.020	30.481	-0.013	-0.013	0.000	0.000	0.000	0.000
465	A	465	PHE	0	0.020	0.006	28.393	-0.005	-0.005	0.000	0.000	0.000	0.000
466	A	466	GLU	-1	-0.917	-0.969	27.942	-0.091	-0.091	0.000	0.000	0.000	0.000
467	A	467	GLY	0	-0.020	0.011	27.914	0.009	0.009	0.000	0.000	0.000	0.000
468	A	468	ASP	-1	-0.893	-0.945	23.150	-0.008	-0.008	0.000	0.000	0.000	0.000
469	A	469	THR	0	-0.078	-0.062	24.505	0.006	0.006	0.000	0.000	0.000	0.000
470	A	470	GLY	0	0.063	0.023	22.320	-0.012	-0.012	0.000	0.000	0.000	0.000
471	A	471	PRO	0	0.022	-0.002	23.333	-0.024	-0.024	0.000	0.000	0.000	0.000
472	A	472	TYR	0	0.003	0.035	21.736	-0.023	-0.023	0.000	0.000	0.000	0.000
473	A	473	VAL	0	0.016	0.002	18.237	-0.019	-0.019	0.000	0.000	0.000	0.000
474	A	474	GLN	0	-0.070	-0.055	21.121	-0.020	-0.020	0.000	0.000	0.000	0.000
475	A	475	TYR	0	0.009	0.002	23.058	-0.021	-0.021	0.000	0.000	0.000	0.000
476	A	476	ALA	0	-0.023	-0.005	20.421	-0.009	-0.009	0.000	0.000	0.000	0.000
477	A	477	HIS	0	-0.028	-0.010	18.516	-0.005	-0.005	0.000	0.000	0.000	0.000
478	A	478	ALA	0	0.045	0.018	20.919	-0.021	-0.021	0.000	0.000	0.000	0.000
479	A	479	ARG	1	0.850	0.947	23.889	0.179	0.179	0.000	0.000	0.000	0.000
480	A	480	ALA	0	0.037	0.027	19.921	0.002	0.002	0.000	0.000	0.000	0.000
481	A	481	HIS	0	0.081	0.049	21.844	0.007	0.007	0.000	0.000	0.000	0.000
482	A	482	SER	0	-0.077	-0.058	23.077	0.013	0.013	0.000	0.000	0.000	0.000
483	A	483	ILE	0	-0.045	-0.024	23.377	0.015	0.015	0.000	0.000	0.000	0.000
484	A	484	LEU	0	0.004	-0.004	19.802	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	485	ARG	1	0.826	0.906	24.328	0.270	0.270	0.000	0.000	0.000	0.000
486	A	486	LYS	1	0.896	0.938	27.434	0.215	0.215	0.000	0.000	0.000	0.000
487	A	487	ALA	0	-0.040	-0.006	25.669	0.014	0.014	0.000	0.000	0.000	0.000
488	A	488	GLY	0	0.000	0.026	27.283	0.011	0.011	0.000	0.000	0.000	0.000
489	A	489	GLU	-1	-0.932	-0.977	24.585	-0.421	-0.421	0.000	0.000	0.000	0.000
490	A	490	TRP	0	-0.046	-0.032	18.883	0.035	0.035	0.000	0.000	0.000	0.000
491	A	491	GLY	0	0.031	0.017	23.251	-0.019	-0.019	0.000	0.000	0.000	0.000
492	A	492	ALA	0	-0.019	-0.025	20.296	-0.033	-0.033	0.000	0.000	0.000	0.000
493	A	493	PRO	0	0.009	-0.003	17.017	0.032	0.032	0.000	0.000	0.000	0.000
494	A	494	ASP	-1	-0.767	-0.832	19.789	-0.335	-0.335	0.000	0.000	0.000	0.000
495	A	495	LEU	0	-0.040	-0.045	14.740	0.014	0.014	0.000	0.000	0.000	0.000
496	A	496	SER	0	-0.078	-0.052	18.640	0.030	0.030	0.000	0.000	0.000	0.000
497	A	497	GLN	0	-0.076	-0.050	21.513	0.044	0.044	0.000	0.000	0.000	0.000
498	A	498	ALA	0	-0.044	-0.013	18.827	0.013	0.013	0.000	0.000	0.000	0.000
499	A	499	THR	0	-0.023	-0.038	20.805	0.042	0.042	0.000	0.000	0.000	0.000
500	A	500	PRO	0	0.002	-0.035	20.060	-0.024	-0.024	0.000	0.000	0.000	0.000
501	A	501	TYR	0	-0.037	-0.045	19.330	0.010	0.010	0.000	0.000	0.000	0.000
502	A	502	GLU	-1	-0.717	-0.790	17.751	-0.283	-0.283	0.000	0.000	0.000	0.000
503	A	503	ARG	1	0.845	0.942	14.312	0.030	0.030	0.000	0.000	0.000	0.000
504	A	504	ALA	0	-0.009	-0.006	14.260	-0.008	-0.008	0.000	0.000	0.000	0.000
505	A	505	LEU	0	0.043	0.029	14.579	0.022	0.022	0.000	0.000	0.000	0.000
506	A	506	ALA	0	0.005	-0.013	11.912	-0.048	-0.048	0.000	0.000	0.000	0.000
507	A	507	LEU	0	-0.019	-0.013	9.388	-0.117	-0.117	0.000	0.000	0.000	0.000
508	A	508	ASP	-1	-0.776	-0.860	9.551	0.169	0.169	0.000	0.000	0.000	0.000
509	A	509	LEU	0	-0.020	0.004	9.396	0.087	0.087	0.000	0.000	0.000	0.000
510	A	510	LEU	0	-0.051	-0.010	5.560	-0.386	-0.386	0.000	0.000	0.000	0.000
511	A	511	ASP	-1	-0.799	-0.878	4.882	1.946	2.041	-0.001	-0.003	-0.092	0.000
512	A	512	PHE	0	-0.023	-0.001	6.842	0.218	0.218	0.000	0.000	0.000	0.000
513	A	513	GLU	-1	-0.841	-0.951	2.070	-18.317	-18.032	11.298	-5.029	-6.553	-0.059
514	A	514	GLU	-1	-0.829	-0.909	3.668	3.652	4.740	0.054	-0.275	-0.866	-0.002
515	A	515	ALA	0	0.029	0.023	4.483	-0.495	-0.422	0.001	-0.013	-0.061	0.000
516	A	516	VAL	0	-0.038	-0.020	5.769	-0.047	-0.047	0.000	0.000	0.000	0.000
517	A	517	LEU	0	-0.027	-0.026	2.259	0.312	-0.410	2.324	-0.280	-1.322	-0.002
518	A	518	GLU	-1	-0.891	-0.927	5.827	1.007	1.007	0.000	0.000	0.000	0.000
519	A	519	ALA	0	-0.024	-0.005	8.425	-0.072	-0.072	0.000	0.000	0.000	0.000
520	A	520	ALA	0	-0.023	-0.024	8.821	-0.019	-0.019	0.000	0.000	0.000	0.000
521	A	521	GLU	-1	-0.989	-1.004	7.677	1.176	1.176	0.000	0.000	0.000	0.000
522	A	522	GLU	-1	-0.918	-0.955	11.117	0.589	0.589	0.000	0.000	0.000	0.000
523	A	523	ARG	1	0.860	0.934	13.231	-0.271	-0.271	0.000	0.000	0.000	0.000
524	A	524	THR	0	-0.013	-0.017	13.536	-0.003	-0.003	0.000	0.000	0.000	0.000
525	A	525	PRO	0	0.019	0.000	13.938	0.014	0.014	0.000	0.000	0.000	0.000
526	A	526	HIS	0	0.060	0.033	14.899	-0.052	-0.052	0.000	0.000	0.000	0.000
527	A	527	VAL	0	0.017	0.021	10.880	-0.025	-0.025	0.000	0.000	0.000	0.000
528	A	528	LEU	0	-0.007	-0.003	10.487	0.005	0.005	0.000	0.000	0.000	0.000
529	A	529	ALA	0	-0.013	-0.011	12.412	-0.041	-0.041	0.000	0.000	0.000	0.000
530	A	530	GLN	0	-0.003	-0.009	15.421	-0.036	-0.036	0.000	0.000	0.000	0.000
531	A	531	TYR	0	0.015	-0.006	10.063	-0.114	-0.114	0.000	0.000	0.000	0.000
532	A	532	LEU	0	-0.029	-0.021	13.315	-0.060	-0.060	0.000	0.000	0.000	0.000
533	A	533	LEU	0	-0.022	0.011	15.395	-0.028	-0.028	0.000	0.000	0.000	0.000
534	A	534	ASP	-1	-0.857	-0.932	15.429	0.136	0.136	0.000	0.000	0.000	0.000
535	A	535	LEU	0	-0.034	-0.013	12.094	-0.026	-0.026	0.000	0.000	0.000	0.000
536	A	536	ALA	0	0.007	-0.001	15.515	-0.034	-0.034	0.000	0.000	0.000	0.000
537	A	537	ALA	0	-0.032	-0.014	18.833	-0.004	-0.004	0.000	0.000	0.000	0.000
538	A	538	SER	0	-0.058	-0.043	16.220	-0.018	-0.018	0.000	0.000	0.000	0.000
539	A	539	TRP	0	0.024	-0.002	18.000	-0.025	-0.025	0.000	0.000	0.000	0.000
540	A	540	ASN	0	0.002	-0.012	19.353	-0.014	-0.014	0.000	0.000	0.000	0.000
541	A	541	ALA	0	-0.022	-0.001	21.918	0.005	0.005	0.000	0.000	0.000	0.000
542	A	542	TYR	0	-0.038	-0.047	20.057	-0.009	-0.009	0.000	0.000	0.000	0.000
543	A	543	TYR	0	-0.051	-0.037	22.171	0.005	0.005	0.000	0.000	0.000	0.000
544	A	544	ASN	0	-0.029	-0.030	24.422	0.000	0.000	0.000	0.000	0.000	0.000
545	A	545	ALA	0	0.015	0.038	25.425	0.015	0.015	0.000	0.000	0.000	0.000
546	A	546	ARG	1	0.907	0.943	27.413	0.085	0.085	0.000	0.000	0.000	0.000
547	A	547	GLU	-1	-0.833	-0.884	28.459	-0.074	-0.074	0.000	0.000	0.000	0.000
548	A	548	ASN	0	-0.029	-0.015	32.511	0.001	0.001	0.000	0.000	0.000	0.000
549	A	549	GLY	0	0.002	0.003	36.044	-0.002	-0.002	0.000	0.000	0.000	0.000
550	A	550	GLN	0	-0.042	-0.011	33.201	-0.003	-0.003	0.000	0.000	0.000	0.000
551	A	551	PRO	0	-0.009	-0.015	30.075	0.004	0.004	0.000	0.000	0.000	0.000
552	A	552	ALA	0	0.030	0.015	27.662	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	553	THR	0	0.003	0.003	22.754	-0.013	-0.013	0.000	0.000	0.000	0.000
554	A	554	PRO	0	-0.046	0.003	25.218	-0.018	-0.018	0.000	0.000	0.000	0.000
555	A	555	VAL	0	0.069	0.027	23.677	-0.007	-0.007	0.000	0.000	0.000	0.000
556	A	556	LEU	0	-0.018	-0.022	26.162	0.000	0.000	0.000	0.000	0.000	0.000
557	A	557	THR	0	-0.020	-0.010	29.082	0.001	0.001	0.000	0.000	0.000	0.000
558	A	558	ALA	0	-0.025	0.013	26.798	0.013	0.013	0.000	0.000	0.000	0.000
559	A	559	PRO	0	0.012	-0.003	28.402	-0.003	-0.003	0.000	0.000	0.000	0.000
560	A	560	GLU	-1	-0.895	-0.953	27.497	-0.251	-0.251	0.000	0.000	0.000	0.000
561	A	561	GLY	0	0.041	0.022	24.268	0.010	0.010	0.000	0.000	0.000	0.000
562	A	562	LEU	0	0.009	-0.011	22.652	-0.038	-0.038	0.000	0.000	0.000	0.000
563	A	563	ARG	1	0.938	0.981	23.013	0.240	0.240	0.000	0.000	0.000	0.000
564	A	564	GLU	-1	-0.838	-0.914	21.647	-0.343	-0.343	0.000	0.000	0.000	0.000
565	A	565	LEU	0	-0.040	-0.004	17.057	-0.059	-0.059	0.000	0.000	0.000	0.000
566	A	566	ARG	1	0.850	0.889	18.395	0.200	0.200	0.000	0.000	0.000	0.000
567	A	567	LEU	0	-0.008	0.008	19.915	-0.012	-0.012	0.000	0.000	0.000	0.000
568	A	568	SER	0	0.025	0.007	15.753	-0.018	-0.018	0.000	0.000	0.000	0.000
569	A	569	LEU	0	-0.001	0.012	14.050	-0.107	-0.107	0.000	0.000	0.000	0.000
570	A	570	VAL	0	0.004	0.003	15.665	-0.022	-0.022	0.000	0.000	0.000	0.000
571	A	571	GLN	0	-0.012	-0.012	16.175	-0.052	-0.052	0.000	0.000	0.000	0.000
572	A	572	SER	0	-0.024	-0.027	10.876	-0.006	-0.006	0.000	0.000	0.000	0.000
573	A	573	LEU	0	0.046	0.030	12.825	-0.072	-0.072	0.000	0.000	0.000	0.000
574	A	574	GLN	0	0.007	0.005	14.640	0.027	0.027	0.000	0.000	0.000	0.000
575	A	575	ARG	1	0.944	0.966	13.611	0.917	0.917	0.000	0.000	0.000	0.000
576	A	576	THR	0	-0.036	-0.015	10.299	-0.123	-0.123	0.000	0.000	0.000	0.000
577	A	577	LEU	0	0.019	0.011	12.326	0.046	0.046	0.000	0.000	0.000	0.000
578	A	578	ALA	0	-0.011	0.003	15.475	0.049	0.049	0.000	0.000	0.000	0.000
579	A	579	THR	0	-0.022	-0.004	10.737	-0.018	-0.018	0.000	0.000	0.000	0.000
580	A	580	GLY	0	0.061	0.024	12.580	0.027	0.027	0.000	0.000	0.000	0.000
581	A	581	LEU	0	0.004	-0.013	13.368	0.073	0.073	0.000	0.000	0.000	0.000
582	A	582	ASP	-1	-0.917	-0.936	15.861	-0.390	-0.390	0.000	0.000	0.000	0.000
583	A	583	LEU	0	-0.031	-0.012	10.680	0.050	0.050	0.000	0.000	0.000	0.000
584	A	584	LEU	0	-0.031	-0.025	15.001	0.068	0.068	0.000	0.000	0.000	0.000
585	A	585	GLY	0	-0.023	-0.016	17.603	0.040	0.040	0.000	0.000	0.000	0.000
586	A	586	ILE	0	-0.068	-0.015	19.615	0.030	0.030	0.000	0.000	0.000	0.000
587	A	587	PRO	0	0.041	0.020	20.442	-0.036	-0.036	0.000	0.000	0.000	0.000
588	A	588	ALA	0	0.047	0.015	20.089	0.014	0.014	0.000	0.000	0.000	0.000
589	A	589	PRO	0	0.012	-0.003	22.236	-0.012	-0.012	0.000	0.000	0.000	0.000
590	A	590	GLU	-1	-0.864	-0.931	24.397	-0.325	-0.325	0.000	0.000	0.000	0.000
591	A	591	VAL	0	-0.057	-0.025	25.986	0.002	0.002	0.000	0.000	0.000	0.000
592	A	592	MET	0	0.016	0.032	26.997	0.003	0.003	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

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