FMO DATABASE

FMODB ID: R5M38

Calculation Name: 2RDY-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2RDY

Chain ID: A

ChEMBL ID:

UniProt ID: Q9KEL0

Base Structure: X-ray

Registration Date: 2023-03-14

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

DOI:

Apendix: None

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	789
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-21926726.988476
FMO2-HF: Nuclear repulsion	21615168.748744
FMO2-HF: Total energy	-311558.239732
FMO2-MP2: Total energy	-312468.649253

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:3:LEU)

Summations of interaction energy for fragment #1(A:3:LEU)

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.
-19.47	-8.918	10.267	-6.693	-14.127	-0.039

Interaction energy analysis for fragmet #1(A:3:LEU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.039 / q_NPA : -0.024

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	5	ILE	0	-0.012	0.020	3.770	-1.646	0.989	-0.050	-1.300	-1.285	0.002
4	A	6	GLN	0	-0.056	-0.048	6.985	-0.028	-0.028	0.000	0.000	0.000	0.000
5	A	7	PHE	0	0.002	-0.012	9.463	0.011	0.011	0.000	0.000	0.000	0.000
6	A	8	ASP	-1	-0.834	-0.902	13.017	0.449	0.449	0.000	0.000	0.000	0.000
7	A	9	PHE	0	-0.007	-0.015	15.847	-0.056	-0.056	0.000	0.000	0.000	0.000
8	A	10	PRO	0	-0.040	0.007	17.046	0.009	0.009	0.000	0.000	0.000	0.000
9	A	11	ALA	0	-0.006	-0.003	17.570	0.004	0.004	0.000	0.000	0.000	0.000
10	A	12	SER	0	-0.075	-0.038	19.241	-0.021	-0.021	0.000	0.000	0.000	0.000
11	A	13	PHE	0	-0.035	-0.015	20.915	-0.018	-0.018	0.000	0.000	0.000	0.000
12	A	14	TRP	0	0.090	0.046	19.207	0.013	0.013	0.000	0.000	0.000	0.000
13	A	15	THR	0	-0.067	-0.070	17.604	0.006	0.006	0.000	0.000	0.000	0.000
14	A	16	GLU	-1	-0.854	-0.942	15.962	0.232	0.232	0.000	0.000	0.000	0.000
15	A	17	ALA	0	-0.033	-0.003	15.470	0.033	0.033	0.000	0.000	0.000	0.000
16	A	18	LEU	0	0.001	-0.011	10.491	0.002	0.002	0.000	0.000	0.000	0.000
17	A	19	PRO	0	0.018	0.044	11.267	-0.016	-0.016	0.000	0.000	0.000	0.000
18	A	20	ILE	0	0.025	0.056	11.902	-0.038	-0.038	0.000	0.000	0.000	0.000
19	A	21	GLY	0	0.044	-0.004	14.011	0.024	0.024	0.000	0.000	0.000	0.000
20	A	22	ASN	0	-0.046	-0.007	15.362	-0.022	-0.022	0.000	0.000	0.000	0.000
21	A	23	GLY	0	-0.014	-0.017	17.838	-0.004	-0.004	0.000	0.000	0.000	0.000
22	A	24	ASN	0	-0.050	-0.051	19.213	0.009	0.009	0.000	0.000	0.000	0.000
23	A	25	LEU	0	-0.060	-0.020	21.351	0.012	0.012	0.000	0.000	0.000	0.000
24	A	26	GLY	0	0.048	0.008	18.593	-0.014	-0.014	0.000	0.000	0.000	0.000
25	A	27	ALA	0	-0.030	-0.036	17.746	0.010	0.010	0.000	0.000	0.000	0.000
26	A	28	MET	0	-0.013	0.018	14.964	-0.016	-0.016	0.000	0.000	0.000	0.000
27	A	29	VAL	0	-0.019	-0.020	15.646	0.008	0.008	0.000	0.000	0.000	0.000
28	A	30	PHE	0	0.013	0.008	16.590	0.023	0.023	0.000	0.000	0.000	0.000
29	A	31	GLY	0	0.032	0.019	17.963	0.029	0.029	0.000	0.000	0.000	0.000
30	A	32	LYS	1	0.902	0.977	18.905	-0.085	-0.085	0.000	0.000	0.000	0.000
31	A	33	VAL	0	0.028	0.023	22.365	-0.009	-0.009	0.000	0.000	0.000	0.000
32	A	34	GLU	-1	-0.901	-0.947	24.057	0.083	0.083	0.000	0.000	0.000	0.000
33	A	35	LYS	1	0.910	0.970	27.458	-0.068	-0.068	0.000	0.000	0.000	0.000
34	A	36	GLU	-1	-0.745	-0.868	20.378	0.113	0.113	0.000	0.000	0.000	0.000
35	A	37	ARG	1	0.773	0.861	23.192	-0.066	-0.066	0.000	0.000	0.000	0.000
36	A	38	ILE	0	-0.015	-0.004	20.034	0.007	0.007	0.000	0.000	0.000	0.000
37	A	39	ALA	0	0.051	0.027	21.362	-0.008	-0.008	0.000	0.000	0.000	0.000
38	A	40	LEU	0	-0.054	-0.034	21.331	-0.008	-0.008	0.000	0.000	0.000	0.000
39	A	41	ASN	0	0.027	0.009	21.764	0.008	0.008	0.000	0.000	0.000	0.000
40	A	42	GLU	-1	-0.797	-0.847	23.462	-0.050	-0.050	0.000	0.000	0.000	0.000
41	A	43	ASP	-1	-0.716	-0.863	22.844	-0.063	-0.063	0.000	0.000	0.000	0.000
42	A	44	THR	0	-0.036	-0.031	24.859	0.001	0.001	0.000	0.000	0.000	0.000
43	A	45	LEU	0	-0.037	-0.029	28.037	0.003	0.003	0.000	0.000	0.000	0.000
44	A	46	TRP	0	0.029	0.022	26.957	0.004	0.004	0.000	0.000	0.000	0.000
45	A	47	SER	0	-0.002	-0.016	31.667	0.000	0.000	0.000	0.000	0.000	0.000
46	A	48	GLY	0	-0.041	-0.025	35.037	-0.002	-0.002	0.000	0.000	0.000	0.000
47	A	49	TYR	0	0.015	-0.021	38.107	0.001	0.001	0.000	0.000	0.000	0.000
48	A	50	PRO	0	-0.001	-0.006	38.392	0.001	0.001	0.000	0.000	0.000	0.000
49	A	51	LYS	1	0.849	0.943	39.955	0.016	0.016	0.000	0.000	0.000	0.000
50	A	52	ASP	-1	-0.940	-0.964	42.011	-0.021	-0.021	0.000	0.000	0.000	0.000
51	A	53	TRP	0	0.015	-0.002	37.855	0.002	0.002	0.000	0.000	0.000	0.000
52	A	54	ASN	0	0.008	0.026	42.886	-0.001	-0.001	0.000	0.000	0.000	0.000
53	A	55	ASN	0	0.017	-0.012	44.842	0.002	0.002	0.000	0.000	0.000	0.000
54	A	56	PRO	0	0.030	0.004	47.584	0.000	0.000	0.000	0.000	0.000	0.000
55	A	57	LYS	1	0.934	0.985	50.682	0.013	0.013	0.000	0.000	0.000	0.000
56	A	58	ALA	0	0.016	0.008	47.317	0.000	0.000	0.000	0.000	0.000	0.000
57	A	59	LYS	1	0.987	0.990	49.322	0.023	0.023	0.000	0.000	0.000	0.000
58	A	60	GLU	-1	-1.002	-0.999	51.064	-0.017	-0.017	0.000	0.000	0.000	0.000
59	A	61	VAL	0	-0.032	-0.016	50.736	0.001	0.001	0.000	0.000	0.000	0.000
60	A	62	LEU	0	0.011	0.025	48.125	0.000	0.000	0.000	0.000	0.000	0.000
61	A	63	PRO	0	-0.015	-0.014	51.231	0.000	0.000	0.000	0.000	0.000	0.000
62	A	64	LYS	1	1.015	1.015	54.214	0.013	0.013	0.000	0.000	0.000	0.000
63	A	65	VAL	0	0.030	-0.004	48.642	0.000	0.000	0.000	0.000	0.000	0.000
64	A	66	ARG	1	0.893	0.936	47.492	0.026	0.026	0.000	0.000	0.000	0.000
65	A	67	GLU	-1	-0.958	-0.968	51.913	-0.015	-0.015	0.000	0.000	0.000	0.000
66	A	68	LEU	0	-0.064	-0.033	53.046	0.000	0.000	0.000	0.000	0.000	0.000
67	A	69	ILE	0	0.003	0.009	47.491	0.000	0.000	0.000	0.000	0.000	0.000
68	A	70	ALA	0	-0.008	0.018	51.597	0.000	0.000	0.000	0.000	0.000	0.000
69	A	71	GLN	0	-0.055	-0.035	53.888	0.001	0.001	0.000	0.000	0.000	0.000
70	A	72	GLU	-1	-0.934	-0.962	52.479	-0.014	-0.014	0.000	0.000	0.000	0.000
71	A	73	LYS	1	0.839	0.932	53.533	0.012	0.012	0.000	0.000	0.000	0.000
72	A	74	TYR	0	0.061	-0.002	48.728	-0.001	-0.001	0.000	0.000	0.000	0.000
73	A	75	GLU	-1	-0.915	-0.945	49.632	-0.006	-0.006	0.000	0.000	0.000	0.000
74	A	76	GLU	-1	-0.942	-0.988	51.138	-0.009	-0.009	0.000	0.000	0.000	0.000
75	A	77	ALA	0	0.000	0.003	49.627	0.000	0.000	0.000	0.000	0.000	0.000
76	A	78	ASP	-1	-0.747	-0.871	46.158	-0.014	-0.014	0.000	0.000	0.000	0.000
77	A	79	GLN	0	-0.059	-0.025	47.660	0.000	0.000	0.000	0.000	0.000	0.000
78	A	80	LEU	0	0.024	0.012	50.065	0.000	0.000	0.000	0.000	0.000	0.000
79	A	81	SER	0	-0.041	-0.045	45.690	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	82	ARG	1	0.868	0.923	44.673	0.007	0.007	0.000	0.000	0.000	0.000
81	A	83	ASP	-1	-0.887	-0.942	47.232	-0.011	-0.011	0.000	0.000	0.000	0.000
82	A	84	MET	0	-0.113	-0.058	45.774	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	85	MET	0	-0.089	0.005	42.686	-0.001	-0.001	0.000	0.000	0.000	0.000
84	A	86	GLY	0	0.069	0.041	42.208	0.000	0.000	0.000	0.000	0.000	0.000
85	A	87	PRO	0	-0.016	0.015	40.276	0.002	0.002	0.000	0.000	0.000	0.000
86	A	88	TYR	0	0.016	-0.024	36.972	-0.002	-0.002	0.000	0.000	0.000	0.000
87	A	89	THR	0	0.008	0.011	33.155	0.000	0.000	0.000	0.000	0.000	0.000
88	A	90	GLN	0	-0.052	0.002	34.649	0.005	0.005	0.000	0.000	0.000	0.000
89	A	91	SER	0	0.057	0.006	31.269	-0.002	-0.002	0.000	0.000	0.000	0.000
90	A	92	TYR	0	-0.063	-0.020	22.795	-0.002	-0.002	0.000	0.000	0.000	0.000
91	A	93	LEU	0	-0.018	-0.031	28.521	0.005	0.005	0.000	0.000	0.000	0.000
92	A	94	PRO	0	-0.046	0.013	26.434	-0.004	-0.004	0.000	0.000	0.000	0.000
93	A	95	PHE	0	0.026	-0.004	26.490	0.000	0.000	0.000	0.000	0.000	0.000
94	A	96	GLY	0	-0.003	0.005	26.891	0.001	0.001	0.000	0.000	0.000	0.000
95	A	97	ASP	-1	-0.838	-0.893	25.654	0.039	0.039	0.000	0.000	0.000	0.000
96	A	98	LEU	0	-0.016	-0.001	23.545	-0.004	-0.004	0.000	0.000	0.000	0.000
97	A	99	ASN	0	-0.042	-0.033	25.462	0.012	0.012	0.000	0.000	0.000	0.000
98	A	100	ILE	0	0.019	0.000	23.752	-0.006	-0.006	0.000	0.000	0.000	0.000
99	A	101	PHE	0	-0.068	-0.053	27.397	0.009	0.009	0.000	0.000	0.000	0.000
100	A	102	MET	0	0.015	0.000	25.733	-0.008	-0.008	0.000	0.000	0.000	0.000
101	A	103	ASP	-1	-0.914	-0.970	29.105	0.071	0.071	0.000	0.000	0.000	0.000
102	A	104	HIS	0	-0.015	0.018	25.992	0.000	0.000	0.000	0.000	0.000	0.000
103	A	105	GLY	0	0.012	0.019	30.614	0.006	0.006	0.000	0.000	0.000	0.000
104	A	106	GLN	0	0.051	0.007	27.910	0.002	0.002	0.000	0.000	0.000	0.000
105	A	107	VAL	0	-0.049	-0.022	27.027	0.012	0.012	0.000	0.000	0.000	0.000
106	A	108	VAL	0	-0.002	0.001	22.679	-0.006	-0.006	0.000	0.000	0.000	0.000
107	A	109	ALA	0	-0.067	-0.036	24.602	-0.001	-0.001	0.000	0.000	0.000	0.000
108	A	110	PRO	0	-0.019	-0.028	23.242	0.010	0.010	0.000	0.000	0.000	0.000
109	A	111	HIS	0	0.011	0.002	18.359	0.010	0.010	0.000	0.000	0.000	0.000
110	A	112	TYR	0	-0.043	-0.037	16.820	0.004	0.004	0.000	0.000	0.000	0.000
111	A	113	HIS	0	-0.014	-0.020	10.020	-0.042	-0.042	0.000	0.000	0.000	0.000
112	A	114	ARG	1	0.776	0.882	13.495	-0.356	-0.356	0.000	0.000	0.000	0.000
113	A	115	GLU	-1	-0.802	-0.883	8.065	0.858	0.858	0.000	0.000	0.000	0.000
114	A	116	LEU	0	0.040	0.020	7.309	-0.093	-0.093	0.000	0.000	0.000	0.000
115	A	117	ASP	-1	-0.821	-0.876	4.137	-2.356	-2.173	-0.001	-0.064	-0.119	0.000
116	A	118	LEU	0	0.025	0.002	2.512	-1.205	0.153	1.207	-0.622	-1.943	0.001
117	A	119	SER	0	-0.059	-0.031	3.914	0.181	0.672	0.002	-0.078	-0.415	0.000
118	A	120	THR	0	-0.016	-0.020	5.003	0.287	0.375	-0.001	-0.004	-0.083	0.000
119	A	121	GLY	0	0.014	0.006	7.343	0.157	0.157	0.000	0.000	0.000	0.000
120	A	122	ILE	0	-0.078	-0.034	9.037	0.110	0.110	0.000	0.000	0.000	0.000
121	A	123	VAL	0	0.004	0.004	9.740	-0.011	-0.011	0.000	0.000	0.000	0.000
122	A	124	THR	0	0.024	0.009	10.974	-0.029	-0.029	0.000	0.000	0.000	0.000
123	A	125	VAL	0	-0.060	-0.028	12.980	0.059	0.059	0.000	0.000	0.000	0.000
124	A	126	THR	0	0.001	-0.010	15.012	-0.019	-0.019	0.000	0.000	0.000	0.000
125	A	127	TYR	0	-0.009	-0.020	17.443	0.027	0.027	0.000	0.000	0.000	0.000
126	A	128	THR	0	0.019	0.004	20.596	-0.022	-0.022	0.000	0.000	0.000	0.000
127	A	129	ILE	0	0.036	0.032	23.755	0.006	0.006	0.000	0.000	0.000	0.000
128	A	130	GLY	0	-0.005	0.005	27.352	-0.008	-0.008	0.000	0.000	0.000	0.000
129	A	131	GLY	0	-0.038	-0.025	27.802	-0.008	-0.008	0.000	0.000	0.000	0.000
130	A	132	VAL	0	-0.051	-0.016	26.642	-0.001	-0.001	0.000	0.000	0.000	0.000
131	A	133	GLN	0	-0.011	-0.007	19.236	-0.002	-0.002	0.000	0.000	0.000	0.000
132	A	134	TYR	0	-0.023	-0.038	22.340	-0.017	-0.017	0.000	0.000	0.000	0.000
133	A	135	THR	0	-0.045	-0.035	17.470	0.020	0.020	0.000	0.000	0.000	0.000
134	A	136	ARG	1	0.865	0.906	17.424	-0.145	-0.145	0.000	0.000	0.000	0.000
135	A	137	GLU	-1	-0.832	-0.870	14.362	0.029	0.029	0.000	0.000	0.000	0.000
136	A	138	LEU	0	-0.034	-0.031	15.010	-0.007	-0.007	0.000	0.000	0.000	0.000
137	A	139	PHE	0	0.064	0.030	13.968	-0.020	-0.020	0.000	0.000	0.000	0.000
138	A	140	VAL	0	-0.006	0.014	15.364	0.022	0.022	0.000	0.000	0.000	0.000
139	A	141	THR	0	0.024	0.030	16.508	-0.028	-0.028	0.000	0.000	0.000	0.000
140	A	142	TYR	0	0.028	0.008	17.861	0.014	0.014	0.000	0.000	0.000	0.000
141	A	143	PRO	0	-0.069	-0.029	18.441	0.015	0.015	0.000	0.000	0.000	0.000
142	A	144	ASP	-1	-0.853	-0.922	21.417	-0.081	-0.081	0.000	0.000	0.000	0.000
143	A	145	ARG	1	0.904	0.961	22.602	0.088	0.088	0.000	0.000	0.000	0.000
144	A	146	ALA	0	0.038	0.009	21.799	0.010	0.010	0.000	0.000	0.000	0.000
145	A	147	ILE	0	0.017	0.026	19.578	-0.012	-0.012	0.000	0.000	0.000	0.000
146	A	148	VAL	0	-0.040	-0.030	19.196	0.010	0.010	0.000	0.000	0.000	0.000
147	A	149	VAL	0	0.030	0.014	19.095	0.001	0.001	0.000	0.000	0.000	0.000
148	A	150	ARG	1	0.794	0.888	19.073	-0.017	-0.017	0.000	0.000	0.000	0.000
149	A	151	LEU	0	0.011	-0.003	20.046	0.016	0.016	0.000	0.000	0.000	0.000
150	A	152	THR	0	0.011	0.021	21.067	-0.006	-0.006	0.000	0.000	0.000	0.000
151	A	153	ALA	0	0.068	0.039	23.250	0.013	0.013	0.000	0.000	0.000	0.000
152	A	154	SER	0	-0.002	0.001	24.192	-0.006	-0.006	0.000	0.000	0.000	0.000
153	A	155	LYS	1	0.886	0.962	25.791	-0.079	-0.079	0.000	0.000	0.000	0.000
154	A	156	GLU	-1	-0.923	-0.976	29.574	0.042	0.042	0.000	0.000	0.000	0.000
155	A	157	GLY	0	-0.002	-0.006	31.834	0.001	0.001	0.000	0.000	0.000	0.000
156	A	158	PHE	0	-0.059	-0.035	29.858	-0.001	-0.001	0.000	0.000	0.000	0.000
157	A	159	LEU	0	0.033	0.040	25.867	0.008	0.008	0.000	0.000	0.000	0.000
158	A	160	SER	0	0.011	0.013	29.442	-0.010	-0.010	0.000	0.000	0.000	0.000
159	A	161	PHE	0	0.015	0.002	28.028	0.005	0.005	0.000	0.000	0.000	0.000
160	A	162	ARG	1	0.904	0.970	30.995	-0.045	-0.045	0.000	0.000	0.000	0.000
161	A	163	ALA	0	-0.005	0.001	28.878	0.005	0.005	0.000	0.000	0.000	0.000
162	A	164	LYS	1	0.874	0.954	30.366	-0.028	-0.028	0.000	0.000	0.000	0.000
163	A	165	LEU	0	-0.026	0.000	28.624	0.003	0.003	0.000	0.000	0.000	0.000
164	A	166	ASP	-1	-0.911	-0.960	30.432	0.027	0.027	0.000	0.000	0.000	0.000
165	A	167	SER	0	-0.016	-0.032	30.547	-0.002	-0.002	0.000	0.000	0.000	0.000
166	A	168	LEU	0	0.040	0.037	30.323	0.001	0.001	0.000	0.000	0.000	0.000
167	A	169	LEU	0	-0.006	0.009	31.647	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	170	ARG	1	0.910	0.957	34.888	-0.003	-0.003	0.000	0.000	0.000	0.000
169	A	171	HIS	0	-0.054	-0.036	35.789	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	172	VAL	0	-0.005	0.012	38.210	0.002	0.002	0.000	0.000	0.000	0.000
171	A	173	SER	0	0.019	0.001	37.385	-0.001	-0.001	0.000	0.000	0.000	0.000
172	A	174	SER	0	-0.063	-0.034	38.153	0.000	0.000	0.000	0.000	0.000	0.000
173	A	175	VAL	0	0.056	0.034	38.159	-0.001	-0.001	0.000	0.000	0.000	0.000
174	A	176	GLY	0	-0.023	-0.007	38.422	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	177	ALA	0	-0.049	-0.031	38.960	-0.002	-0.002	0.000	0.000	0.000	0.000
176	A	178	GLU	-1	-0.920	-0.976	36.559	-0.006	-0.006	0.000	0.000	0.000	0.000
177	A	179	HIS	0	-0.005	0.004	33.771	0.000	0.000	0.000	0.000	0.000	0.000
178	A	180	TYR	0	0.046	0.023	33.239	0.002	0.002	0.000	0.000	0.000	0.000
179	A	181	THR	0	-0.075	-0.041	33.307	-0.003	-0.003	0.000	0.000	0.000	0.000
180	A	182	ILE	0	0.044	0.022	31.568	0.003	0.003	0.000	0.000	0.000	0.000
181	A	183	SER	0	-0.040	-0.015	34.656	-0.004	-0.004	0.000	0.000	0.000	0.000
182	A	184	GLY	0	0.063	0.025	36.624	0.003	0.003	0.000	0.000	0.000	0.000
183	A	185	THR	0	-0.026	0.000	37.800	-0.003	-0.003	0.000	0.000	0.000	0.000
184	A	186	ALA	0	0.011	0.009	34.874	0.003	0.003	0.000	0.000	0.000	0.000
185	A	187	PRO	0	-0.027	-0.012	35.517	0.000	0.000	0.000	0.000	0.000	0.000
186	A	188	GLU	-1	-0.794	-0.910	37.981	-0.013	-0.013	0.000	0.000	0.000	0.000
187	A	189	HIS	0	-0.050	-0.033	39.096	-0.003	-0.003	0.000	0.000	0.000	0.000
188	A	190	VAL	0	-0.006	0.006	33.959	0.003	0.003	0.000	0.000	0.000	0.000
189	A	191	SER	0	-0.053	-0.056	36.616	-0.002	-0.002	0.000	0.000	0.000	0.000
190	A	192	PRO	0	0.049	0.035	33.966	0.002	0.002	0.000	0.000	0.000	0.000
191	A	193	SER	0	0.010	0.007	31.088	0.000	0.000	0.000	0.000	0.000	0.000
192	A	194	TYR	0	0.001	0.002	32.712	0.002	0.002	0.000	0.000	0.000	0.000
193	A	195	TYR	0	-0.093	-0.069	35.453	0.001	0.001	0.000	0.000	0.000	0.000
194	A	196	ASP	-1	-0.968	-0.985	38.711	0.012	0.012	0.000	0.000	0.000	0.000
195	A	197	GLU	-1	-0.778	-0.845	40.701	-0.003	-0.003	0.000	0.000	0.000	0.000
196	A	198	GLU	-1	-0.927	-0.980	42.705	0.005	0.005	0.000	0.000	0.000	0.000
197	A	199	ASN	0	-0.044	-0.022	44.017	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	200	PRO	0	0.069	0.044	38.912	-0.002	-0.002	0.000	0.000	0.000	0.000
199	A	201	VAL	0	0.003	0.011	37.189	-0.002	-0.002	0.000	0.000	0.000	0.000
200	A	202	ARG	1	0.821	0.907	39.653	0.003	0.003	0.000	0.000	0.000	0.000
201	A	203	TYR	0	0.034	0.012	37.126	-0.002	-0.002	0.000	0.000	0.000	0.000
202	A	204	GLY	0	0.075	0.057	42.513	0.001	0.001	0.000	0.000	0.000	0.000
203	A	205	HIS	0	-0.042	-0.023	45.187	0.000	0.000	0.000	0.000	0.000	0.000
204	A	206	PRO	0	0.005	-0.025	45.844	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	207	ASP	-1	-0.899	-0.950	46.859	-0.006	-0.006	0.000	0.000	0.000	0.000
206	A	208	MET	0	-0.099	-0.054	48.671	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	209	SER	0	-0.067	-0.011	42.541	-0.001	-0.001	0.000	0.000	0.000	0.000
208	A	210	GLN	0	0.009	-0.009	42.945	-0.002	-0.002	0.000	0.000	0.000	0.000
209	A	211	GLY	0	-0.024	0.011	39.322	-0.002	-0.002	0.000	0.000	0.000	0.000
210	A	212	MET	0	-0.027	0.006	32.877	0.000	0.000	0.000	0.000	0.000	0.000
211	A	213	THR	0	0.005	0.004	37.254	0.002	0.002	0.000	0.000	0.000	0.000
212	A	214	PHE	0	0.013	-0.006	32.394	-0.004	-0.004	0.000	0.000	0.000	0.000
213	A	215	HIS	0	0.008	-0.003	32.749	0.001	0.001	0.000	0.000	0.000	0.000
214	A	216	GLY	0	0.087	0.047	30.333	-0.004	-0.004	0.000	0.000	0.000	0.000
215	A	217	ARG	1	0.740	0.868	30.066	0.020	0.020	0.000	0.000	0.000	0.000
216	A	218	LEU	0	0.041	0.017	27.394	-0.003	-0.003	0.000	0.000	0.000	0.000
217	A	219	ALA	0	-0.006	-0.008	29.092	0.002	0.002	0.000	0.000	0.000	0.000
218	A	220	ALA	0	0.013	-0.007	28.786	0.001	0.001	0.000	0.000	0.000	0.000
219	A	221	VAL	0	0.015	0.021	28.449	-0.002	-0.002	0.000	0.000	0.000	0.000
220	A	222	ASN	0	-0.032	-0.020	28.683	-0.001	-0.001	0.000	0.000	0.000	0.000
221	A	223	GLU	-1	-0.840	-0.897	26.701	0.012	0.012	0.000	0.000	0.000	0.000
222	A	224	GLY	0	0.073	0.021	30.645	0.006	0.006	0.000	0.000	0.000	0.000
223	A	225	GLY	0	0.037	0.021	33.456	0.000	0.000	0.000	0.000	0.000	0.000
224	A	226	SER	0	-0.115	-0.054	35.575	-0.004	-0.004	0.000	0.000	0.000	0.000
225	A	227	LEU	0	0.048	0.021	33.223	0.003	0.003	0.000	0.000	0.000	0.000
226	A	228	LYS	1	0.911	0.966	36.170	-0.024	-0.024	0.000	0.000	0.000	0.000
227	A	229	VAL	0	0.020	0.016	36.578	0.002	0.002	0.000	0.000	0.000	0.000
228	A	230	ASP	-1	-0.809	-0.886	38.241	0.020	0.020	0.000	0.000	0.000	0.000
229	A	231	ALA	0	0.008	-0.008	38.890	0.000	0.000	0.000	0.000	0.000	0.000
230	A	232	ASP	-1	-0.946	-0.973	38.243	0.027	0.027	0.000	0.000	0.000	0.000
231	A	233	GLY	0	-0.038	-0.025	34.793	0.004	0.004	0.000	0.000	0.000	0.000
232	A	234	LEU	0	-0.042	-0.030	30.941	-0.001	-0.001	0.000	0.000	0.000	0.000
233	A	235	HIS	0	-0.036	-0.032	33.247	0.007	0.007	0.000	0.000	0.000	0.000
234	A	236	VAL	0	0.006	0.010	30.248	-0.004	-0.004	0.000	0.000	0.000	0.000
235	A	237	MET	0	-0.025	-0.014	33.107	0.005	0.005	0.000	0.000	0.000	0.000
236	A	238	GLY	0	0.045	0.008	34.106	-0.004	-0.004	0.000	0.000	0.000	0.000
237	A	239	ALA	0	-0.031	-0.003	30.563	-0.003	-0.003	0.000	0.000	0.000	0.000
238	A	240	THR	0	-0.003	-0.011	27.607	0.006	0.006	0.000	0.000	0.000	0.000
239	A	241	CYS	0	-0.018	-0.013	25.190	0.011	0.011	0.000	0.000	0.000	0.000
240	A	242	ALA	0	0.024	0.014	25.294	-0.005	-0.005	0.000	0.000	0.000	0.000
241	A	243	THR	0	-0.005	0.016	22.865	0.007	0.007	0.000	0.000	0.000	0.000
242	A	244	LEU	0	-0.024	-0.004	24.182	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	245	TYR	0	0.042	0.005	23.538	-0.006	-0.006	0.000	0.000	0.000	0.000
244	A	246	PHE	0	0.033	0.009	24.377	0.007	0.007	0.000	0.000	0.000	0.000
245	A	247	SER	0	0.027	0.016	24.883	-0.007	-0.007	0.000	0.000	0.000	0.000
246	A	248	ALA	0	0.022	0.011	26.905	0.007	0.007	0.000	0.000	0.000	0.000
247	A	249	SER	0	0.011	0.001	28.204	-0.008	-0.008	0.000	0.000	0.000	0.000
248	A	250	THR	0	0.020	-0.001	30.395	0.005	0.005	0.000	0.000	0.000	0.000
249	A	251	SER	0	-0.004	-0.025	32.998	-0.003	-0.003	0.000	0.000	0.000	0.000
250	A	252	PHE	0	0.007	0.009	30.857	0.000	0.000	0.000	0.000	0.000	0.000
251	A	253	ASP	-1	-0.846	-0.892	33.416	-0.049	-0.049	0.000	0.000	0.000	0.000
252	A	254	PRO	0	-0.010	-0.020	30.326	0.000	0.000	0.000	0.000	0.000	0.000
253	A	255	SER	0	-0.094	-0.081	32.308	-0.002	-0.002	0.000	0.000	0.000	0.000
254	A	256	THR	0	0.001	-0.004	34.868	0.001	0.001	0.000	0.000	0.000	0.000
255	A	257	GLY	0	-0.027	-0.005	34.402	0.001	0.001	0.000	0.000	0.000	0.000
256	A	258	ALA	0	0.049	0.006	35.462	0.003	0.003	0.000	0.000	0.000	0.000
257	A	259	SER	0	0.008	0.038	37.195	-0.002	-0.002	0.000	0.000	0.000	0.000
258	A	260	CYS	0	0.007	0.006	38.268	0.001	0.001	0.000	0.000	0.000	0.000
259	A	261	LEU	0	0.017	0.000	40.004	0.000	0.000	0.000	0.000	0.000	0.000
260	A	262	GLU	-1	-0.927	-0.975	41.874	-0.029	-0.029	0.000	0.000	0.000	0.000
261	A	263	ARG	1	0.855	0.957	31.186	0.044	0.044	0.000	0.000	0.000	0.000
262	A	264	ASP	-1	-0.770	-0.869	38.198	-0.019	-0.019	0.000	0.000	0.000	0.000
263	A	265	PRO	0	-0.019	-0.020	34.202	-0.002	-0.002	0.000	0.000	0.000	0.000
264	A	266	SER	0	-0.016	-0.040	34.357	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	267	LEU	0	-0.001	-0.010	35.977	0.000	0.000	0.000	0.000	0.000	0.000
266	A	268	ARG	1	0.921	0.966	30.813	0.044	0.044	0.000	0.000	0.000	0.000
267	A	269	THR	0	0.067	0.044	30.400	-0.002	-0.002	0.000	0.000	0.000	0.000
268	A	270	ILE	0	-0.045	-0.028	31.453	0.000	0.000	0.000	0.000	0.000	0.000
269	A	271	GLU	-1	-0.978	-0.985	31.731	-0.049	-0.049	0.000	0.000	0.000	0.000
270	A	272	THR	0	0.035	0.022	27.027	-0.002	-0.002	0.000	0.000	0.000	0.000
271	A	273	ILE	0	-0.021	-0.017	27.918	-0.002	-0.002	0.000	0.000	0.000	0.000
272	A	274	LYS	1	0.932	0.960	30.134	0.021	0.021	0.000	0.000	0.000	0.000
273	A	275	ALA	0	-0.028	-0.004	29.783	0.001	0.001	0.000	0.000	0.000	0.000
274	A	276	ILE	0	0.024	0.012	23.158	-0.001	-0.001	0.000	0.000	0.000	0.000
275	A	277	CYS	0	-0.056	-0.026	27.477	0.002	0.002	0.000	0.000	0.000	0.000
276	A	278	LYS	1	0.872	0.945	29.623	0.036	0.036	0.000	0.000	0.000	0.000
277	A	279	ARG	1	0.867	0.955	25.448	0.072	0.072	0.000	0.000	0.000	0.000
278	A	280	GLY	0	0.024	0.020	26.403	0.006	0.006	0.000	0.000	0.000	0.000
279	A	281	TYR	0	0.006	-0.044	17.263	-0.012	-0.012	0.000	0.000	0.000	0.000
280	A	282	LYS	1	0.988	0.977	20.434	0.003	0.003	0.000	0.000	0.000	0.000
281	A	283	GLU	-1	-0.862	-0.919	20.471	-0.081	-0.081	0.000	0.000	0.000	0.000
282	A	284	ILE	0	0.007	-0.002	20.120	-0.016	-0.016	0.000	0.000	0.000	0.000
283	A	285	VAL	0	0.022	0.021	15.527	-0.016	-0.016	0.000	0.000	0.000	0.000
284	A	286	ASN	0	-0.004	-0.011	16.506	-0.041	-0.041	0.000	0.000	0.000	0.000
285	A	287	ARG	1	0.838	0.905	17.543	0.082	0.082	0.000	0.000	0.000	0.000
286	A	288	HIS	0	-0.007	-0.001	12.051	0.017	0.017	0.000	0.000	0.000	0.000
287	A	289	LEU	0	0.018	0.010	11.505	-0.031	-0.031	0.000	0.000	0.000	0.000
288	A	290	GLU	-1	-0.976	-0.980	13.085	-0.239	-0.239	0.000	0.000	0.000	0.000
289	A	291	ASP	-1	-0.809	-0.918	14.857	-0.240	-0.240	0.000	0.000	0.000	0.000
290	A	292	TYR	0	-0.026	-0.030	6.537	0.065	0.065	0.000	0.000	0.000	0.000
291	A	293	THR	0	-0.030	-0.026	9.618	-0.032	-0.032	0.000	0.000	0.000	0.000
292	A	294	LYS	1	0.906	0.951	10.510	0.198	0.198	0.000	0.000	0.000	0.000
293	A	295	LEU	0	-0.021	0.004	11.936	0.007	0.007	0.000	0.000	0.000	0.000
294	A	296	PHE	0	0.059	0.022	2.608	-0.924	-0.258	0.489	-0.156	-0.999	0.002
295	A	297	ASN	0	0.014	0.012	7.104	-0.191	-0.191	0.000	0.000	0.000	0.000
296	A	298	ARG	1	0.712	0.843	8.202	0.320	0.320	0.000	0.000	0.000	0.000
297	A	299	VAL	0	-0.007	0.003	7.698	0.040	0.040	0.000	0.000	0.000	0.000
298	A	300	SER	0	-0.061	-0.017	5.518	-0.117	-0.117	0.000	0.000	0.000	0.000
299	A	301	LEU	0	-0.005	-0.011	4.856	0.459	0.459	0.000	0.000	0.000	0.000
300	A	302	HIS	0	0.034	0.046	5.137	-1.092	-0.956	-0.001	-0.005	-0.130	0.000
301	A	303	LEU	0	0.013	-0.002	7.024	0.301	0.301	0.000	0.000	0.000	0.000
302	A	304	GLY	0	0.019	0.000	8.241	0.190	0.190	0.000	0.000	0.000	0.000
303	A	305	GLU	-1	-0.979	-0.988	7.738	0.001	0.001	0.000	0.000	0.000	0.000
304	A	306	SER	0	-0.038	-0.033	6.155	0.095	0.095	0.000	0.000	0.000	0.000
305	A	307	ILE	0	-0.042	-0.024	8.230	0.034	0.034	0.000	0.000	0.000	0.000
306	A	308	ALA	0	-0.028	0.001	9.289	-0.076	-0.076	0.000	0.000	0.000	0.000
307	A	309	PRO	0	-0.023	-0.005	10.344	0.152	0.152	0.000	0.000	0.000	0.000
308	A	310	ALA	0	0.019	-0.011	8.595	0.113	0.113	0.000	0.000	0.000	0.000
309	A	311	ASP	-1	-0.926	-0.959	8.936	1.173	1.173	0.000	0.000	0.000	0.000
310	A	312	MET	0	-0.038	0.014	10.858	-0.157	-0.157	0.000	0.000	0.000	0.000
311	A	313	SER	0	0.009	0.019	9.825	0.238	0.238	0.000	0.000	0.000	0.000
312	A	314	THR	0	0.026	-0.002	7.568	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	315	ASP	-1	-0.823	-0.918	10.040	0.369	0.369	0.000	0.000	0.000	0.000
314	A	316	GLN	0	-0.080	-0.065	13.611	-0.027	-0.027	0.000	0.000	0.000	0.000
315	A	317	ARG	1	0.877	0.925	4.230	-2.239	-2.145	-0.001	-0.008	-0.085	0.000
316	A	318	ILE	0	-0.004	-0.012	11.075	-0.067	-0.067	0.000	0.000	0.000	0.000
317	A	319	LYS	1	0.897	0.952	12.910	-0.262	-0.262	0.000	0.000	0.000	0.000
318	A	320	GLU	-1	-0.870	-0.926	15.403	0.350	0.350	0.000	0.000	0.000	0.000
319	A	321	TYR	0	-0.047	-0.025	12.300	-0.014	-0.014	0.000	0.000	0.000	0.000
320	A	322	GLY	0	0.052	0.035	13.301	-0.058	-0.058	0.000	0.000	0.000	0.000
321	A	323	SER	0	0.024	-0.015	11.737	0.049	0.049	0.000	0.000	0.000	0.000
322	A	324	ARG	1	0.917	0.970	12.661	-0.221	-0.221	0.000	0.000	0.000	0.000
323	A	325	ASP	-1	-0.735	-0.832	8.518	0.805	0.805	0.000	0.000	0.000	0.000
324	A	326	LEU	0	0.051	0.010	9.004	0.017	0.017	0.000	0.000	0.000	0.000
325	A	327	GLY	0	0.060	0.029	5.197	-0.254	-0.254	0.000	0.000	0.000	0.000
326	A	328	LEU	0	-0.073	-0.027	4.391	-0.038	0.166	-0.001	-0.018	-0.185	0.000
327	A	329	VAL	0	0.000	0.005	6.148	-0.062	-0.062	0.000	0.000	0.000	0.000
328	A	330	GLU	-1	-0.900	-0.952	2.437	-12.973	-9.038	3.242	-3.343	-3.834	-0.048
329	A	331	LEU	0	-0.016	-0.011	2.341	-2.150	-0.471	2.274	-1.155	-2.799	0.000
330	A	332	LEU	0	-0.002	-0.004	3.094	0.521	-0.138	0.051	0.811	-0.203	0.000
331	A	333	PHE	0	-0.013	-0.008	5.772	0.002	0.002	0.000	0.000	0.000	0.000
332	A	334	GLN	0	0.067	0.022	2.201	-0.028	-0.376	3.058	-0.738	-1.971	0.004
333	A	335	TYR	0	-0.008	0.001	4.491	-0.050	0.040	-0.001	-0.013	-0.076	0.000
334	A	336	GLY	0	0.054	0.032	6.602	-0.010	-0.010	0.000	0.000	0.000	0.000
335	A	337	ARG	1	0.757	0.866	6.608	0.579	0.579	0.000	0.000	0.000	0.000
336	A	338	TYR	0	-0.052	-0.073	6.689	-0.018	-0.018	0.000	0.000	0.000	0.000
337	A	339	LEU	0	0.029	0.010	8.443	0.002	0.002	0.000	0.000	0.000	0.000
338	A	340	MET	0	-0.017	0.027	11.497	0.006	0.006	0.000	0.000	0.000	0.000
339	A	341	ILE	0	-0.050	-0.026	9.390	0.012	0.012	0.000	0.000	0.000	0.000
340	A	342	ALA	0	-0.041	-0.022	12.642	0.013	0.013	0.000	0.000	0.000	0.000
341	A	343	SER	0	-0.055	-0.040	14.368	0.023	0.023	0.000	0.000	0.000	0.000
342	A	344	SER	0	0.038	0.043	16.401	0.016	0.016	0.000	0.000	0.000	0.000
343	A	345	ARG	1	0.831	0.905	15.715	0.187	0.187	0.000	0.000	0.000	0.000
344	A	346	PRO	0	-0.019	-0.027	19.080	0.014	0.014	0.000	0.000	0.000	0.000
345	A	347	GLY	0	-0.036	-0.018	22.316	0.001	0.001	0.000	0.000	0.000	0.000
346	A	348	THR	0	-0.094	-0.032	21.576	0.008	0.008	0.000	0.000	0.000	0.000
347	A	349	GLN	0	-0.002	-0.016	24.021	0.000	0.000	0.000	0.000	0.000	0.000
348	A	350	PRO	0	-0.006	0.003	21.769	-0.007	-0.007	0.000	0.000	0.000	0.000
349	A	351	ALA	0	0.038	0.031	18.191	0.010	0.010	0.000	0.000	0.000	0.000
350	A	352	ASN	0	0.017	0.013	20.281	0.004	0.004	0.000	0.000	0.000	0.000
351	A	353	LEU	0	-0.034	0.001	21.040	-0.004	-0.004	0.000	0.000	0.000	0.000
352	A	354	GLN	0	-0.031	-0.034	19.812	0.008	0.008	0.000	0.000	0.000	0.000
353	A	355	GLY	0	0.035	0.016	17.881	0.001	0.001	0.000	0.000	0.000	0.000
354	A	356	ILE	0	-0.006	0.009	17.675	-0.003	-0.003	0.000	0.000	0.000	0.000
355	A	357	TRP	0	-0.045	-0.009	14.278	0.006	0.006	0.000	0.000	0.000	0.000
356	A	358	ASN	0	0.028	-0.013	19.870	0.010	0.010	0.000	0.000	0.000	0.000
357	A	359	GLU	-1	-0.831	-0.903	23.056	0.051	0.051	0.000	0.000	0.000	0.000
358	A	360	GLU	-1	-0.879	-0.946	25.191	0.031	0.031	0.000	0.000	0.000	0.000
359	A	361	THR	0	-0.024	-0.024	28.075	-0.005	-0.005	0.000	0.000	0.000	0.000
360	A	362	ARG	1	0.823	0.901	31.370	-0.011	-0.011	0.000	0.000	0.000	0.000
361	A	363	ALA	0	0.037	0.037	26.419	0.003	0.003	0.000	0.000	0.000	0.000
362	A	364	PRO	0	0.026	0.005	25.809	-0.004	-0.004	0.000	0.000	0.000	0.000
363	A	365	TRP	0	0.002	-0.005	25.192	-0.004	-0.004	0.000	0.000	0.000	0.000
364	A	366	SER	0	0.003	-0.007	29.676	-0.003	-0.003	0.000	0.000	0.000	0.000
365	A	367	SER	0	-0.006	-0.008	24.518	-0.002	-0.002	0.000	0.000	0.000	0.000
366	A	368	ASN	0	-0.016	-0.017	26.158	-0.007	-0.007	0.000	0.000	0.000	0.000
367	A	369	TYR	0	-0.030	-0.035	23.880	0.000	0.000	0.000	0.000	0.000	0.000
368	A	370	THR	0	0.006	0.006	26.440	0.003	0.003	0.000	0.000	0.000	0.000
369	A	371	LEU	0	-0.055	-0.038	26.729	-0.005	-0.005	0.000	0.000	0.000	0.000
370	A	372	ASN	0	0.000	0.012	28.930	-0.003	-0.003	0.000	0.000	0.000	0.000
371	A	373	ILE	0	-0.016	-0.014	23.784	0.001	0.001	0.000	0.000	0.000	0.000
372	A	374	ASN	0	-0.024	-0.019	22.914	-0.008	-0.008	0.000	0.000	0.000	0.000
373	A	375	ALA	0	0.037	0.021	21.949	-0.006	-0.006	0.000	0.000	0.000	0.000
374	A	376	GLU	-1	-0.833	-0.940	22.191	-0.077	-0.077	0.000	0.000	0.000	0.000
375	A	377	MET	0	-0.069	-0.020	18.833	-0.010	-0.010	0.000	0.000	0.000	0.000
376	A	378	ASN	0	-0.011	-0.026	17.713	-0.013	-0.013	0.000	0.000	0.000	0.000
377	A	379	TYR	0	-0.023	-0.030	16.871	-0.013	-0.013	0.000	0.000	0.000	0.000
378	A	380	TRP	0	-0.017	0.005	17.643	-0.014	-0.014	0.000	0.000	0.000	0.000
379	A	381	PRO	0	0.012	0.002	12.807	-0.013	-0.013	0.000	0.000	0.000	0.000
380	A	382	ALA	0	0.012	0.013	14.439	-0.032	-0.032	0.000	0.000	0.000	0.000
381	A	383	GLU	-1	-0.759	-0.865	16.175	-0.203	-0.203	0.000	0.000	0.000	0.000
382	A	384	THR	0	0.067	0.031	15.683	-0.026	-0.026	0.000	0.000	0.000	0.000
383	A	385	CYS	0	-0.007	0.004	10.847	-0.046	-0.046	0.000	0.000	0.000	0.000
384	A	386	ASN	0	0.009	-0.010	11.796	0.008	0.008	0.000	0.000	0.000	0.000
385	A	387	LEU	0	0.009	0.008	10.639	-0.015	-0.015	0.000	0.000	0.000	0.000
386	A	388	ALA	0	0.096	0.052	14.919	0.027	0.027	0.000	0.000	0.000	0.000
387	A	389	GLU	-1	-0.874	-0.911	17.800	-0.221	-0.221	0.000	0.000	0.000	0.000
388	A	390	LEU	0	0.014	0.005	14.156	0.015	0.015	0.000	0.000	0.000	0.000
389	A	391	HIS	0	0.058	0.032	18.215	0.020	0.020	0.000	0.000	0.000	0.000
390	A	392	LYS	1	0.908	0.949	20.494	0.155	0.155	0.000	0.000	0.000	0.000
391	A	393	PRO	0	0.003	0.026	21.087	0.008	0.008	0.000	0.000	0.000	0.000
392	A	394	LEU	0	0.038	0.032	22.626	0.010	0.010	0.000	0.000	0.000	0.000
393	A	395	ILE	0	-0.009	-0.013	24.328	0.007	0.007	0.000	0.000	0.000	0.000
394	A	396	HIS	0	-0.019	-0.003	26.656	0.005	0.005	0.000	0.000	0.000	0.000
395	A	397	PHE	0	-0.013	-0.008	27.241	0.006	0.006	0.000	0.000	0.000	0.000
396	A	398	ILE	0	0.006	-0.006	26.953	0.006	0.006	0.000	0.000	0.000	0.000
397	A	399	GLU	-1	-0.920	-0.969	30.276	-0.073	-0.073	0.000	0.000	0.000	0.000
398	A	400	ARG	1	0.836	0.913	30.572	0.056	0.056	0.000	0.000	0.000	0.000
399	A	401	LEU	0	-0.004	0.009	30.573	0.004	0.004	0.000	0.000	0.000	0.000
400	A	402	ALA	0	0.022	0.014	34.357	0.004	0.004	0.000	0.000	0.000	0.000
401	A	403	ALA	0	-0.051	-0.021	36.357	0.003	0.003	0.000	0.000	0.000	0.000
402	A	404	ASN	0	-0.049	-0.037	36.362	0.003	0.003	0.000	0.000	0.000	0.000
403	A	405	GLY	0	0.040	0.003	38.051	0.003	0.003	0.000	0.000	0.000	0.000
404	A	406	LYS	1	0.927	0.974	39.255	0.045	0.045	0.000	0.000	0.000	0.000
405	A	407	LYS	1	0.966	0.986	42.270	0.029	0.029	0.000	0.000	0.000	0.000
406	A	408	THR	0	-0.017	-0.017	40.682	0.001	0.001	0.000	0.000	0.000	0.000
407	A	409	ALA	0	0.008	0.011	42.332	0.002	0.002	0.000	0.000	0.000	0.000
408	A	410	GLU	-1	-0.935	-0.966	43.929	-0.030	-0.030	0.000	0.000	0.000	0.000
409	A	411	ILE	0	-0.076	-0.043	46.713	0.002	0.002	0.000	0.000	0.000	0.000
410	A	412	ASN	0	0.012	0.017	44.640	0.001	0.001	0.000	0.000	0.000	0.000
411	A	413	TYR	0	-0.002	-0.038	42.046	0.002	0.002	0.000	0.000	0.000	0.000
412	A	414	GLY	0	-0.113	-0.022	47.672	0.000	0.000	0.000	0.000	0.000	0.000
413	A	415	ALA	0	-0.034	-0.006	45.628	0.000	0.000	0.000	0.000	0.000	0.000
414	A	416	ARG	1	0.849	0.909	46.155	0.036	0.036	0.000	0.000	0.000	0.000
415	A	417	GLY	0	0.034	0.009	42.329	0.000	0.000	0.000	0.000	0.000	0.000
416	A	418	TRP	0	-0.096	-0.026	32.928	0.002	0.002	0.000	0.000	0.000	0.000
417	A	419	VAL	0	-0.022	0.006	38.190	-0.001	-0.001	0.000	0.000	0.000	0.000
418	A	420	ALA	0	0.049	0.004	33.959	0.000	0.000	0.000	0.000	0.000	0.000
419	A	421	HIS	0	-0.018	-0.010	35.829	0.001	0.001	0.000	0.000	0.000	0.000
420	A	422	HIS	0	0.092	0.036	32.218	-0.005	-0.005	0.000	0.000	0.000	0.000
421	A	423	ASN	0	-0.071	-0.030	31.383	0.004	0.004	0.000	0.000	0.000	0.000
422	A	424	ALA	0	0.054	0.042	30.479	0.000	0.000	0.000	0.000	0.000	0.000
423	A	425	ASP	-1	-0.753	-0.906	30.380	-0.029	-0.029	0.000	0.000	0.000	0.000
424	A	426	LEU	0	0.015	0.027	29.133	-0.004	-0.004	0.000	0.000	0.000	0.000
425	A	427	TRP	0	-0.049	-0.019	31.079	-0.005	-0.005	0.000	0.000	0.000	0.000
426	A	428	GLY	0	-0.007	0.000	32.949	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	429	GLN	0	-0.055	-0.040	33.913	0.001	0.001	0.000	0.000	0.000	0.000
428	A	430	THR	0	0.024	-0.001	34.968	-0.002	-0.002	0.000	0.000	0.000	0.000
429	A	431	ALA	0	-0.022	0.011	37.101	0.000	0.000	0.000	0.000	0.000	0.000
430	A	432	PRO	0	-0.006	0.002	38.117	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	433	VAL	0	0.012	0.020	35.745	0.001	0.001	0.000	0.000	0.000	0.000
432	A	434	GLY	0	0.013	-0.017	38.959	0.000	0.000	0.000	0.000	0.000	0.000
433	A	435	ASP	-1	-0.879	-0.922	40.877	-0.006	-0.006	0.000	0.000	0.000	0.000
434	A	436	PHE	0	-0.059	-0.036	43.127	0.001	0.001	0.000	0.000	0.000	0.000
435	A	437	GLY	0	0.087	0.043	44.795	0.001	0.001	0.000	0.000	0.000	0.000
436	A	438	HIS	0	0.004	0.045	40.643	-0.001	-0.001	0.000	0.000	0.000	0.000
437	A	439	GLY	0	0.020	0.000	40.736	0.001	0.001	0.000	0.000	0.000	0.000
438	A	440	ASP	-1	-0.804	-0.875	39.581	-0.009	-0.009	0.000	0.000	0.000	0.000
439	A	441	PRO	0	0.037	0.011	39.939	-0.002	-0.002	0.000	0.000	0.000	0.000
440	A	442	VAL	0	-0.024	-0.019	37.780	-0.002	-0.002	0.000	0.000	0.000	0.000
441	A	443	TRP	0	0.009	0.001	34.951	-0.002	-0.002	0.000	0.000	0.000	0.000
442	A	444	ALA	0	-0.057	-0.016	36.266	-0.002	-0.002	0.000	0.000	0.000	0.000
443	A	445	PHE	0	-0.030	-0.023	38.606	-0.002	-0.002	0.000	0.000	0.000	0.000
444	A	446	TRP	0	0.069	0.042	31.258	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	447	PRO	0	-0.005	0.000	36.850	-0.001	-0.001	0.000	0.000	0.000	0.000
446	A	448	MET	0	0.002	0.017	34.796	-0.001	-0.001	0.000	0.000	0.000	0.000
447	A	449	GLY	0	0.072	0.037	32.060	-0.004	-0.004	0.000	0.000	0.000	0.000
448	A	450	GLY	0	-0.015	-0.023	31.494	-0.005	-0.005	0.000	0.000	0.000	0.000
449	A	451	VAL	0	0.026	0.004	32.801	-0.004	-0.004	0.000	0.000	0.000	0.000
450	A	452	TRP	0	0.022	0.040	25.996	-0.002	-0.002	0.000	0.000	0.000	0.000
451	A	453	LEU	0	0.038	0.011	26.944	-0.008	-0.008	0.000	0.000	0.000	0.000
452	A	454	THR	0	-0.070	-0.045	28.570	-0.007	-0.007	0.000	0.000	0.000	0.000
453	A	455	GLN	0	0.026	0.000	27.042	0.002	0.002	0.000	0.000	0.000	0.000
454	A	456	HIS	0	-0.018	-0.008	21.889	-0.004	-0.004	0.000	0.000	0.000	0.000
455	A	457	LEU	0	-0.023	0.006	25.569	-0.008	-0.008	0.000	0.000	0.000	0.000
456	A	458	TRP	0	0.074	0.030	28.020	-0.005	-0.005	0.000	0.000	0.000	0.000
457	A	459	GLU	-1	-0.746	-0.840	23.484	-0.143	-0.143	0.000	0.000	0.000	0.000
458	A	460	HIS	1	0.802	0.917	22.383	0.139	0.139	0.000	0.000	0.000	0.000
459	A	461	TYR	0	-0.026	-0.006	24.606	-0.005	-0.005	0.000	0.000	0.000	0.000
460	A	462	THR	0	-0.010	-0.009	25.621	-0.008	-0.008	0.000	0.000	0.000	0.000
461	A	463	PHE	0	-0.004	-0.003	19.746	-0.007	-0.007	0.000	0.000	0.000	0.000
462	A	464	GLY	0	-0.032	-0.027	23.594	-0.009	-0.009	0.000	0.000	0.000	0.000
463	A	465	GLU	-1	-0.887	-0.959	24.677	-0.122	-0.122	0.000	0.000	0.000	0.000
464	A	466	ASP	-1	-0.897	-0.927	27.958	-0.108	-0.108	0.000	0.000	0.000	0.000
465	A	467	GLU	-1	-0.905	-0.987	29.623	-0.080	-0.080	0.000	0.000	0.000	0.000
466	A	468	ALA	0	0.024	0.019	32.854	0.005	0.005	0.000	0.000	0.000	0.000
467	A	469	TYR	0	-0.057	-0.053	27.981	0.003	0.003	0.000	0.000	0.000	0.000
468	A	470	LEU	0	-0.035	-0.021	31.523	0.004	0.004	0.000	0.000	0.000	0.000
469	A	471	ARG	1	0.885	0.927	32.939	0.074	0.074	0.000	0.000	0.000	0.000
470	A	472	ASP	-1	-0.929	-0.964	35.216	-0.070	-0.070	0.000	0.000	0.000	0.000
471	A	473	THR	0	-0.041	-0.013	30.793	0.001	0.001	0.000	0.000	0.000	0.000
472	A	474	ALA	0	-0.029	-0.013	30.595	0.003	0.003	0.000	0.000	0.000	0.000
473	A	475	TYR	0	-0.002	-0.028	32.524	0.003	0.003	0.000	0.000	0.000	0.000
474	A	476	PRO	0	0.006	0.008	35.725	0.004	0.004	0.000	0.000	0.000	0.000
475	A	477	ILE	0	0.034	0.031	32.962	0.004	0.004	0.000	0.000	0.000	0.000
476	A	478	MET	0	-0.035	-0.020	32.777	0.001	0.001	0.000	0.000	0.000	0.000
477	A	479	LYS	1	0.898	0.952	35.454	0.054	0.054	0.000	0.000	0.000	0.000
478	A	480	GLU	-1	-0.914	-0.973	38.914	-0.043	-0.043	0.000	0.000	0.000	0.000
479	A	481	ALA	0	0.010	0.024	36.113	0.003	0.003	0.000	0.000	0.000	0.000
480	A	482	ALA	0	0.047	0.004	38.163	0.003	0.003	0.000	0.000	0.000	0.000
481	A	483	LEU	0	-0.057	-0.041	39.960	0.003	0.003	0.000	0.000	0.000	0.000
482	A	484	PHE	0	0.021	0.037	40.043	0.002	0.002	0.000	0.000	0.000	0.000
483	A	485	CYS	0	-0.038	-0.020	39.283	0.002	0.002	0.000	0.000	0.000	0.000
484	A	486	LEU	0	-0.063	-0.036	42.065	0.002	0.002	0.000	0.000	0.000	0.000
485	A	487	ASP	-1	-0.787	-0.877	45.276	-0.033	-0.033	0.000	0.000	0.000	0.000
486	A	488	TRP	0	-0.081	-0.038	41.955	0.002	0.002	0.000	0.000	0.000	0.000
487	A	489	LEU	0	-0.068	-0.028	43.016	0.001	0.001	0.000	0.000	0.000	0.000
488	A	490	ILE	0	-0.015	-0.007	46.243	0.001	0.001	0.000	0.000	0.000	0.000
489	A	491	GLU	-1	-0.909	-0.968	49.380	-0.028	-0.028	0.000	0.000	0.000	0.000
490	A	492	ASN	0	0.000	0.015	50.310	0.001	0.001	0.000	0.000	0.000	0.000
491	A	493	GLU	-1	-0.905	-0.973	52.630	-0.019	-0.019	0.000	0.000	0.000	0.000
492	A	494	ALA	0	-0.075	-0.036	53.189	0.000	0.000	0.000	0.000	0.000	0.000
493	A	495	GLY	0	0.021	0.024	54.072	0.000	0.000	0.000	0.000	0.000	0.000
494	A	496	TYR	0	-0.086	-0.045	48.538	-0.002	-0.002	0.000	0.000	0.000	0.000
495	A	497	LEU	0	-0.041	-0.022	46.554	0.001	0.001	0.000	0.000	0.000	0.000
496	A	498	VAL	0	-0.016	-0.022	45.375	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	499	THR	0	0.014	-0.015	41.686	0.000	0.000	0.000	0.000	0.000	0.000
498	A	500	SER	0	0.028	0.014	44.859	0.001	0.001	0.000	0.000	0.000	0.000
499	A	501	PRO	0	0.028	0.008	44.783	0.000	0.000	0.000	0.000	0.000	0.000
500	A	502	SER	0	-0.052	-0.023	40.875	-0.002	-0.002	0.000	0.000	0.000	0.000
501	A	503	THR	0	0.024	-0.017	38.657	0.001	0.001	0.000	0.000	0.000	0.000
502	A	504	SER	0	-0.035	-0.072	35.872	-0.004	-0.004	0.000	0.000	0.000	0.000
503	A	505	PRO	0	-0.029	-0.035	32.230	0.003	0.003	0.000	0.000	0.000	0.000
504	A	506	GLU	-1	-0.865	-0.960	31.883	-0.018	-0.018	0.000	0.000	0.000	0.000
505	A	507	GLN	0	-0.017	0.028	34.940	0.006	0.006	0.000	0.000	0.000	0.000
506	A	508	ARG	1	0.851	0.896	36.724	0.007	0.007	0.000	0.000	0.000	0.000
507	A	509	PHE	0	-0.009	0.003	40.234	0.000	0.000	0.000	0.000	0.000	0.000
508	A	510	ARG	1	0.951	0.964	42.667	0.004	0.004	0.000	0.000	0.000	0.000
509	A	511	ILE	0	0.004	0.008	45.423	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	512	GLY	0	-0.029	-0.004	49.130	0.001	0.001	0.000	0.000	0.000	0.000
511	A	513	GLU	-1	-0.951	-0.996	48.472	-0.001	-0.001	0.000	0.000	0.000	0.000
512	A	514	LYS	1	0.877	0.948	47.451	0.003	0.003	0.000	0.000	0.000	0.000
513	A	515	GLY	0	0.046	0.035	44.395	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	516	TYR	0	-0.049	-0.037	44.831	0.001	0.001	0.000	0.000	0.000	0.000
515	A	517	ALA	0	-0.054	-0.024	42.165	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	518	VAL	0	-0.051	-0.016	42.401	-0.002	-0.002	0.000	0.000	0.000	0.000
517	A	519	SER	0	-0.002	-0.009	43.699	0.001	0.001	0.000	0.000	0.000	0.000
518	A	520	SER	0	0.014	-0.010	45.277	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	521	ALA	0	-0.004	0.001	42.734	0.000	0.000	0.000	0.000	0.000	0.000
520	A	522	THR	0	-0.019	0.008	38.612	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	523	THR	0	0.022	-0.050	36.027	-0.001	-0.001	0.000	0.000	0.000	0.000
522	A	524	MET	0	-0.016	0.036	30.579	-0.002	-0.002	0.000	0.000	0.000	0.000
523	A	525	ASP	-1	-0.774	-0.850	35.322	-0.040	-0.040	0.000	0.000	0.000	0.000
524	A	526	LEU	0	0.009	-0.003	37.806	-0.003	-0.003	0.000	0.000	0.000	0.000
525	A	527	SER	0	-0.038	-0.038	33.926	-0.003	-0.003	0.000	0.000	0.000	0.000
526	A	528	LEU	0	-0.001	-0.009	30.951	-0.004	-0.004	0.000	0.000	0.000	0.000
527	A	529	ILE	0	0.021	0.007	34.382	-0.003	-0.003	0.000	0.000	0.000	0.000
528	A	530	ALA	0	-0.005	0.003	37.123	-0.002	-0.002	0.000	0.000	0.000	0.000
529	A	531	GLU	-1	-0.804	-0.896	30.319	-0.088	-0.088	0.000	0.000	0.000	0.000
530	A	532	CYS	0	-0.007	0.008	34.316	-0.004	-0.004	0.000	0.000	0.000	0.000
531	A	533	PHE	0	0.021	-0.010	35.224	-0.001	-0.001	0.000	0.000	0.000	0.000
532	A	534	ASP	-1	-0.858	-0.933	35.198	-0.067	-0.067	0.000	0.000	0.000	0.000
533	A	535	ASN	0	-0.046	-0.038	30.884	-0.005	-0.005	0.000	0.000	0.000	0.000
534	A	536	CYS	0	-0.034	-0.006	34.237	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	537	ILE	0	-0.008	0.006	37.042	0.000	0.000	0.000	0.000	0.000	0.000
536	A	538	GLN	0	-0.025	-0.026	34.729	0.003	0.003	0.000	0.000	0.000	0.000
537	A	539	ALA	0	-0.010	0.000	34.579	-0.002	-0.002	0.000	0.000	0.000	0.000
538	A	540	ALA	0	0.025	0.006	35.979	0.000	0.000	0.000	0.000	0.000	0.000
539	A	541	LYS	1	0.948	0.972	39.170	0.063	0.063	0.000	0.000	0.000	0.000
540	A	542	ARG	1	0.851	0.952	31.923	0.103	0.103	0.000	0.000	0.000	0.000
541	A	543	LEU	0	-0.024	-0.010	36.223	-0.001	-0.001	0.000	0.000	0.000	0.000
542	A	544	SER	0	-0.046	-0.010	39.224	0.003	0.003	0.000	0.000	0.000	0.000
543	A	545	ILE	0	-0.010	-0.007	40.471	0.003	0.003	0.000	0.000	0.000	0.000
544	A	546	ASP	-1	-0.817	-0.896	43.303	-0.053	-0.053	0.000	0.000	0.000	0.000
545	A	547	GLU	-1	-0.869	-0.954	45.272	-0.053	-0.053	0.000	0.000	0.000	0.000
546	A	548	ASP	-1	-0.962	-0.984	47.210	-0.041	-0.041	0.000	0.000	0.000	0.000
547	A	549	PHE	0	0.002	-0.004	40.921	0.001	0.001	0.000	0.000	0.000	0.000
548	A	550	VAL	0	0.032	0.015	42.358	0.000	0.000	0.000	0.000	0.000	0.000
549	A	551	LYS	1	0.932	0.960	44.457	0.043	0.043	0.000	0.000	0.000	0.000
550	A	552	ALA	0	0.045	0.039	46.966	0.001	0.001	0.000	0.000	0.000	0.000
551	A	553	LEU	0	-0.004	-0.004	40.485	0.001	0.001	0.000	0.000	0.000	0.000
552	A	554	SER	0	-0.019	-0.011	43.723	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	555	ASP	-1	-0.944	-0.974	44.716	-0.040	-0.040	0.000	0.000	0.000	0.000
554	A	556	ALA	0	-0.019	-0.012	44.929	0.001	0.001	0.000	0.000	0.000	0.000
555	A	557	LYS	1	0.927	0.961	38.599	0.058	0.058	0.000	0.000	0.000	0.000
556	A	558	GLN	0	-0.080	-0.039	43.465	0.000	0.000	0.000	0.000	0.000	0.000
557	A	559	ARG	1	0.916	0.971	45.978	0.034	0.034	0.000	0.000	0.000	0.000
558	A	560	LEU	0	-0.020	0.015	40.940	0.002	0.002	0.000	0.000	0.000	0.000
559	A	561	LEU	0	-0.006	0.006	44.884	0.000	0.000	0.000	0.000	0.000	0.000
560	A	562	PRO	0	-0.021	-0.009	43.564	-0.002	-0.002	0.000	0.000	0.000	0.000
561	A	563	LEU	0	0.017	0.016	37.504	0.001	0.001	0.000	0.000	0.000	0.000
562	A	564	GLN	0	-0.036	-0.031	41.544	0.002	0.002	0.000	0.000	0.000	0.000
563	A	565	ILE	0	-0.020	-0.009	40.322	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	566	GLY	0	0.031	0.017	41.342	0.001	0.001	0.000	0.000	0.000	0.000
565	A	567	LYS	1	0.860	0.903	43.064	0.016	0.016	0.000	0.000	0.000	0.000
566	A	568	ARG	1	0.860	0.939	38.568	0.015	0.015	0.000	0.000	0.000	0.000
567	A	569	GLY	0	-0.002	0.003	40.368	0.000	0.000	0.000	0.000	0.000	0.000
568	A	570	GLN	0	0.022	0.016	36.941	-0.002	-0.002	0.000	0.000	0.000	0.000
569	A	571	LEU	0	0.004	0.018	34.604	0.001	0.001	0.000	0.000	0.000	0.000
570	A	572	GLN	0	-0.024	-0.028	37.513	0.002	0.002	0.000	0.000	0.000	0.000
571	A	573	GLU	-1	-0.750	-0.790	35.704	-0.030	-0.030	0.000	0.000	0.000	0.000
572	A	574	TRP	0	0.013	0.006	38.385	-0.001	-0.001	0.000	0.000	0.000	0.000
573	A	575	SER	0	-0.006	-0.005	41.737	0.000	0.000	0.000	0.000	0.000	0.000
574	A	576	ASN	0	0.027	0.029	44.679	0.000	0.000	0.000	0.000	0.000	0.000
575	A	577	ASP	-1	-0.784	-0.881	43.738	-0.021	-0.021	0.000	0.000	0.000	0.000
576	A	578	PHE	0	-0.041	-0.027	43.652	0.002	0.002	0.000	0.000	0.000	0.000
577	A	579	GLU	-1	-0.981	-0.979	43.225	-0.008	-0.008	0.000	0.000	0.000	0.000
578	A	580	ASP	-1	-0.885	-0.948	38.149	-0.018	-0.018	0.000	0.000	0.000	0.000
579	A	581	GLU	-1	-0.936	-0.984	39.772	-0.003	-0.003	0.000	0.000	0.000	0.000
580	A	582	ASP	-1	-0.834	-0.923	34.485	0.001	0.001	0.000	0.000	0.000	0.000
581	A	583	VAL	0	-0.037	-0.035	35.670	-0.002	-0.002	0.000	0.000	0.000	0.000
582	A	584	HIS	1	0.802	0.901	31.440	0.000	0.000	0.000	0.000	0.000	0.000
583	A	585	HIS	0	0.007	0.042	31.170	0.003	0.003	0.000	0.000	0.000	0.000
584	A	586	ARG	1	0.957	0.978	27.164	0.005	0.005	0.000	0.000	0.000	0.000
585	A	587	HIS	0	0.052	0.049	27.477	-0.002	-0.002	0.000	0.000	0.000	0.000
586	A	588	VAL	0	-0.010	-0.013	27.013	0.003	0.003	0.000	0.000	0.000	0.000
587	A	589	SER	0	0.074	0.014	30.022	-0.006	-0.006	0.000	0.000	0.000	0.000
588	A	590	HIS	0	0.014	0.026	31.499	-0.005	-0.005	0.000	0.000	0.000	0.000
589	A	591	LEU	0	0.004	-0.003	29.296	-0.001	-0.001	0.000	0.000	0.000	0.000
590	A	592	VAL	0	0.035	0.028	28.149	-0.006	-0.006	0.000	0.000	0.000	0.000
591	A	593	GLY	0	-0.003	-0.009	28.741	-0.006	-0.006	0.000	0.000	0.000	0.000
592	A	594	ILE	0	-0.080	-0.014	27.019	-0.003	-0.003	0.000	0.000	0.000	0.000
593	A	595	TYR	0	0.047	0.014	19.588	-0.016	-0.016	0.000	0.000	0.000	0.000
594	A	596	PRO	0	-0.042	-0.019	23.118	0.008	0.008	0.000	0.000	0.000	0.000
595	A	597	GLY	0	0.000	0.012	24.678	-0.006	-0.006	0.000	0.000	0.000	0.000
596	A	598	ARG	1	0.914	0.946	27.454	0.101	0.101	0.000	0.000	0.000	0.000
597	A	599	LEU	0	-0.032	0.003	29.318	0.002	0.002	0.000	0.000	0.000	0.000
598	A	600	ILE	0	-0.044	-0.015	31.907	0.004	0.004	0.000	0.000	0.000	0.000
599	A	601	THR	0	0.034	0.006	30.003	-0.005	-0.005	0.000	0.000	0.000	0.000
600	A	602	GLU	-1	-0.932	-0.974	31.590	-0.070	-0.070	0.000	0.000	0.000	0.000
601	A	603	GLN	0	0.036	0.009	31.906	0.002	0.002	0.000	0.000	0.000	0.000
602	A	604	SER	0	-0.064	-0.022	34.625	0.003	0.003	0.000	0.000	0.000	0.000
603	A	605	ALA	0	0.030	0.007	35.976	0.004	0.004	0.000	0.000	0.000	0.000
604	A	606	PRO	0	0.042	0.041	36.435	0.001	0.001	0.000	0.000	0.000	0.000
605	A	607	ASN	0	-0.005	-0.018	37.111	0.001	0.001	0.000	0.000	0.000	0.000
606	A	608	LEU	0	0.027	0.011	37.155	0.002	0.002	0.000	0.000	0.000	0.000
607	A	609	PHE	0	0.003	0.008	28.949	0.000	0.000	0.000	0.000	0.000	0.000
608	A	610	GLU	-1	-0.869	-0.946	33.379	-0.052	-0.052	0.000	0.000	0.000	0.000
609	A	611	ALA	0	0.011	0.012	34.968	0.002	0.002	0.000	0.000	0.000	0.000
610	A	612	ALA	0	0.001	-0.009	32.003	0.003	0.003	0.000	0.000	0.000	0.000
611	A	613	LYS	1	0.941	0.984	29.832	0.061	0.061	0.000	0.000	0.000	0.000
612	A	614	THR	0	-0.001	0.001	31.697	0.003	0.003	0.000	0.000	0.000	0.000
613	A	615	SER	0	-0.023	-0.019	33.263	0.004	0.004	0.000	0.000	0.000	0.000
614	A	616	LEU	0	-0.004	0.008	25.899	0.004	0.004	0.000	0.000	0.000	0.000
615	A	617	GLU	-1	-0.852	-0.917	29.852	-0.029	-0.029	0.000	0.000	0.000	0.000
616	A	618	ILE	0	-0.109	-0.047	31.282	0.006	0.006	0.000	0.000	0.000	0.000
617	A	619	ARG	1	0.802	0.898	29.915	0.028	0.028	0.000	0.000	0.000	0.000
618	A	620	GLY	0	-0.018	0.007	29.182	0.005	0.005	0.000	0.000	0.000	0.000
619	A	621	ASP	-1	-0.859	-0.915	23.860	-0.028	-0.028	0.000	0.000	0.000	0.000
620	A	622	GLU	-1	-0.924	-0.963	23.699	0.027	0.027	0.000	0.000	0.000	0.000
621	A	623	GLY	0	0.019	0.001	24.938	-0.009	-0.009	0.000	0.000	0.000	0.000
622	A	624	THR	0	0.023	0.022	23.203	0.005	0.005	0.000	0.000	0.000	0.000
623	A	625	GLY	0	0.044	0.016	19.193	-0.005	-0.005	0.000	0.000	0.000	0.000
624	A	626	TRP	0	0.028	0.017	19.105	-0.012	-0.012	0.000	0.000	0.000	0.000
625	A	627	SER	0	-0.049	-0.029	20.939	-0.011	-0.011	0.000	0.000	0.000	0.000
626	A	628	LEU	0	-0.008	-0.011	19.218	-0.009	-0.009	0.000	0.000	0.000	0.000
627	A	629	GLY	0	0.087	0.023	17.611	-0.012	-0.012	0.000	0.000	0.000	0.000
628	A	630	TRP	0	-0.032	-0.041	18.539	-0.015	-0.015	0.000	0.000	0.000	0.000
629	A	631	LYS	1	0.826	0.899	21.743	0.014	0.014	0.000	0.000	0.000	0.000
630	A	632	ILE	0	0.007	0.030	15.417	-0.006	-0.006	0.000	0.000	0.000	0.000
631	A	633	SER	0	0.077	0.023	18.869	-0.013	-0.013	0.000	0.000	0.000	0.000
632	A	634	LEU	0	-0.039	0.003	20.376	-0.003	-0.003	0.000	0.000	0.000	0.000
633	A	635	TRP	0	0.048	0.005	21.999	-0.002	-0.002	0.000	0.000	0.000	0.000
634	A	636	ALA	0	0.021	0.008	19.563	-0.002	-0.002	0.000	0.000	0.000	0.000
635	A	637	ARG	1	0.734	0.871	21.422	0.130	0.130	0.000	0.000	0.000	0.000
636	A	638	PHE	0	-0.046	-0.016	24.583	0.003	0.003	0.000	0.000	0.000	0.000
637	A	639	LYS	1	0.823	0.919	23.537	0.130	0.130	0.000	0.000	0.000	0.000
638	A	640	ASP	-1	-0.889	-0.941	23.834	-0.067	-0.067	0.000	0.000	0.000	0.000
639	A	641	GLY	0	0.077	0.025	19.704	0.001	0.001	0.000	0.000	0.000	0.000
640	A	642	ASN	0	0.010	-0.030	19.215	-0.011	-0.011	0.000	0.000	0.000	0.000
641	A	643	ARG	1	0.767	0.845	20.941	0.051	0.051	0.000	0.000	0.000	0.000
642	A	644	CYS	0	-0.065	-0.020	17.766	0.008	0.008	0.000	0.000	0.000	0.000
643	A	645	GLU	-1	-0.852	-0.912	15.776	-0.054	-0.054	0.000	0.000	0.000	0.000
644	A	646	ARG	1	0.916	0.979	17.205	0.052	0.052	0.000	0.000	0.000	0.000
645	A	647	LEU	0	0.015	0.022	19.225	0.016	0.016	0.000	0.000	0.000	0.000
646	A	648	LEU	0	0.008	0.006	11.799	0.012	0.012	0.000	0.000	0.000	0.000
647	A	649	SER	0	-0.046	-0.037	14.810	0.032	0.032	0.000	0.000	0.000	0.000
648	A	650	ASN	0	-0.047	-0.014	16.441	0.031	0.031	0.000	0.000	0.000	0.000
649	A	651	MET	0	-0.038	0.011	14.831	0.014	0.014	0.000	0.000	0.000	0.000
650	A	652	LEU	0	-0.053	-0.005	10.086	0.026	0.026	0.000	0.000	0.000	0.000
651	A	653	THR	0	-0.009	-0.020	14.075	0.031	0.031	0.000	0.000	0.000	0.000
652	A	654	LEU	0	-0.072	-0.042	15.459	-0.009	-0.009	0.000	0.000	0.000	0.000
653	A	655	ILE	0	-0.036	-0.002	17.314	-0.012	-0.012	0.000	0.000	0.000	0.000
654	A	656	LYS	1	0.944	0.953	19.356	-0.183	-0.183	0.000	0.000	0.000	0.000
655	A	657	GLU	-1	-0.792	-0.896	21.691	0.084	0.084	0.000	0.000	0.000	0.000
656	A	658	ASP	-1	-0.962	-0.948	23.772	0.094	0.094	0.000	0.000	0.000	0.000
657	A	659	GLU	-1	-0.863	-0.920	24.349	0.073	0.073	0.000	0.000	0.000	0.000
658	A	660	SER	0	-0.003	-0.003	26.440	-0.008	-0.008	0.000	0.000	0.000	0.000
659	A	661	MET	0	-0.047	-0.028	27.415	-0.009	-0.009	0.000	0.000	0.000	0.000
660	A	662	GLN	0	0.038	0.008	27.265	0.003	0.003	0.000	0.000	0.000	0.000
661	A	663	HIS	0	-0.077	-0.047	26.550	-0.007	-0.007	0.000	0.000	0.000	0.000
662	A	664	ARG	1	0.888	0.949	22.590	-0.091	-0.091	0.000	0.000	0.000	0.000
663	A	665	GLY	0	0.048	0.016	20.998	0.006	0.006	0.000	0.000	0.000	0.000
664	A	666	GLY	0	-0.030	-0.013	17.472	0.008	0.008	0.000	0.000	0.000	0.000
665	A	667	VAL	0	-0.030	-0.001	12.569	-0.015	-0.015	0.000	0.000	0.000	0.000
666	A	668	TYR	0	0.047	0.028	15.380	0.012	0.012	0.000	0.000	0.000	0.000
667	A	669	ALA	0	0.041	0.007	14.051	0.028	0.028	0.000	0.000	0.000	0.000
668	A	670	ASN	0	-0.036	-0.011	11.748	0.076	0.076	0.000	0.000	0.000	0.000
669	A	671	LEU	0	-0.001	-0.006	7.297	-0.024	-0.024	0.000	0.000	0.000	0.000
670	A	672	PHE	0	0.004	0.015	11.243	-0.050	-0.050	0.000	0.000	0.000	0.000
671	A	673	GLY	0	0.027	0.016	13.745	0.020	0.020	0.000	0.000	0.000	0.000
672	A	674	ALA	0	0.004	-0.018	15.860	0.000	0.000	0.000	0.000	0.000	0.000
673	A	675	HIS	0	-0.055	0.003	19.195	-0.014	-0.014	0.000	0.000	0.000	0.000
674	A	676	PRO	0	-0.024	-0.024	22.446	-0.003	-0.003	0.000	0.000	0.000	0.000
675	A	677	PRO	0	0.064	0.006	23.227	-0.005	-0.005	0.000	0.000	0.000	0.000
676	A	678	PHE	0	0.074	0.012	16.094	-0.002	-0.002	0.000	0.000	0.000	0.000
677	A	679	GLN	0	-0.011	-0.008	19.125	-0.015	-0.015	0.000	0.000	0.000	0.000
678	A	680	ILE	0	-0.009	0.004	14.663	0.003	0.003	0.000	0.000	0.000	0.000
679	A	681	ASP	-1	-0.764	-0.873	16.132	-0.044	-0.044	0.000	0.000	0.000	0.000
680	A	682	GLY	0	0.022	-0.004	16.915	-0.015	-0.015	0.000	0.000	0.000	0.000
681	A	683	ASN	0	-0.033	-0.022	11.174	-0.003	-0.003	0.000	0.000	0.000	0.000
682	A	684	PHE	0	-0.005	0.009	12.250	-0.031	-0.031	0.000	0.000	0.000	0.000
683	A	685	SER	0	-0.012	-0.003	14.177	-0.026	-0.026	0.000	0.000	0.000	0.000
684	A	686	ALA	0	0.036	0.025	12.027	-0.021	-0.021	0.000	0.000	0.000	0.000
685	A	687	THR	0	-0.047	-0.032	8.834	-0.013	-0.013	0.000	0.000	0.000	0.000
686	A	688	ALA	0	0.002	-0.012	11.193	-0.051	-0.051	0.000	0.000	0.000	0.000
687	A	689	GLY	0	0.034	0.012	14.466	-0.010	-0.010	0.000	0.000	0.000	0.000
688	A	690	ILE	0	0.005	-0.016	9.678	-0.005	-0.005	0.000	0.000	0.000	0.000
689	A	691	ALA	0	-0.030	-0.014	12.688	-0.030	-0.030	0.000	0.000	0.000	0.000
690	A	692	GLU	-1	-0.803	-0.889	13.732	-0.184	-0.184	0.000	0.000	0.000	0.000
691	A	693	MET	0	-0.025	-0.002	15.118	0.023	0.023	0.000	0.000	0.000	0.000
692	A	694	LEU	0	-0.045	-0.016	11.718	0.003	0.003	0.000	0.000	0.000	0.000
693	A	695	LEU	0	-0.025	-0.015	16.110	0.008	0.008	0.000	0.000	0.000	0.000
694	A	696	GLN	0	0.008	0.011	18.109	0.020	0.020	0.000	0.000	0.000	0.000
695	A	697	SER	0	0.027	0.021	21.210	0.004	0.004	0.000	0.000	0.000	0.000
696	A	698	HIS	0	-0.033	-0.020	23.603	0.011	0.011	0.000	0.000	0.000	0.000
697	A	699	GLN	0	-0.007	-0.027	26.067	0.003	0.003	0.000	0.000	0.000	0.000
698	A	700	GLY	0	-0.009	0.012	28.219	0.006	0.006	0.000	0.000	0.000	0.000
699	A	701	TYR	0	0.004	0.002	26.611	0.005	0.005	0.000	0.000	0.000	0.000
700	A	702	LEU	0	-0.049	-0.029	21.755	-0.005	-0.005	0.000	0.000	0.000	0.000
701	A	703	GLU	-1	-0.867	-0.944	23.301	-0.136	-0.136	0.000	0.000	0.000	0.000
702	A	704	PHE	0	0.003	-0.028	19.297	-0.020	-0.020	0.000	0.000	0.000	0.000
703	A	705	LEU	0	-0.076	-0.033	16.551	0.016	0.016	0.000	0.000	0.000	0.000
704	A	706	PRO	0	-0.046	-0.002	19.081	0.021	0.021	0.000	0.000	0.000	0.000
705	A	707	ALA	0	-0.011	-0.014	19.678	0.023	0.023	0.000	0.000	0.000	0.000
706	A	708	LEU	0	-0.005	0.006	15.234	-0.014	-0.014	0.000	0.000	0.000	0.000
707	A	709	PRO	0	-0.014	0.002	15.569	0.021	0.021	0.000	0.000	0.000	0.000
708	A	710	ASP	-1	-0.835	-0.901	18.024	-0.094	-0.094	0.000	0.000	0.000	0.000
709	A	711	SER	0	-0.102	-0.084	16.597	-0.012	-0.012	0.000	0.000	0.000	0.000
710	A	712	TRP	0	0.031	0.020	12.102	-0.040	-0.040	0.000	0.000	0.000	0.000
711	A	713	LYS	1	0.907	0.952	14.989	0.087	0.087	0.000	0.000	0.000	0.000
712	A	714	ASP	-1	-0.825	-0.906	14.670	-0.163	-0.163	0.000	0.000	0.000	0.000
713	A	715	GLY	0	0.028	0.023	11.734	-0.029	-0.029	0.000	0.000	0.000	0.000
714	A	716	TYR	0	-0.051	-0.035	8.612	0.060	0.060	0.000	0.000	0.000	0.000
715	A	717	VAL	0	0.025	0.018	9.181	-0.175	-0.175	0.000	0.000	0.000	0.000
716	A	718	LYS	1	0.896	0.941	9.637	0.810	0.810	0.000	0.000	0.000	0.000
717	A	719	GLY	0	0.139	0.081	10.229	-0.105	-0.105	0.000	0.000	0.000	0.000
718	A	720	LEU	0	-0.020	0.004	11.216	0.031	0.031	0.000	0.000	0.000	0.000
719	A	721	ARG	1	0.819	0.915	14.011	0.275	0.275	0.000	0.000	0.000	0.000
720	A	722	GLY	0	-0.022	-0.015	17.465	0.003	0.003	0.000	0.000	0.000	0.000
721	A	723	ARG	1	0.770	0.839	20.665	0.166	0.166	0.000	0.000	0.000	0.000
722	A	724	GLY	0	0.039	0.017	23.940	0.000	0.000	0.000	0.000	0.000	0.000
723	A	725	GLY	0	-0.014	0.011	23.750	0.004	0.004	0.000	0.000	0.000	0.000
724	A	726	TYR	0	0.007	-0.012	21.773	0.000	0.000	0.000	0.000	0.000	0.000
725	A	727	GLU	-1	-0.917	-0.954	15.397	-0.382	-0.382	0.000	0.000	0.000	0.000
726	A	728	VAL	0	-0.049	-0.050	16.790	0.018	0.018	0.000	0.000	0.000	0.000
727	A	729	ASP	-1	-0.864	-0.916	14.435	-0.521	-0.521	0.000	0.000	0.000	0.000
728	A	730	LEU	0	-0.033	-0.024	14.408	0.064	0.064	0.000	0.000	0.000	0.000
729	A	731	ALA	0	0.026	0.005	14.260	-0.074	-0.074	0.000	0.000	0.000	0.000
730	A	732	TRP	0	-0.024	-0.020	12.004	0.040	0.040	0.000	0.000	0.000	0.000
731	A	733	THR	0	0.008	-0.005	16.470	-0.011	-0.011	0.000	0.000	0.000	0.000
732	A	734	ASN	0	-0.038	-0.046	18.819	0.024	0.024	0.000	0.000	0.000	0.000
733	A	735	GLY	0	-0.050	-0.026	19.189	0.017	0.017	0.000	0.000	0.000	0.000
734	A	736	ALA	0	0.009	0.019	20.409	0.003	0.003	0.000	0.000	0.000	0.000
735	A	737	LEU	0	0.049	0.028	19.135	-0.013	-0.013	0.000	0.000	0.000	0.000
736	A	738	VAL	0	-0.077	-0.040	19.037	0.028	0.028	0.000	0.000	0.000	0.000
737	A	739	LYS	1	0.891	0.941	19.027	0.283	0.283	0.000	0.000	0.000	0.000
738	A	740	VAL	0	0.046	0.033	18.793	-0.032	-0.032	0.000	0.000	0.000	0.000
739	A	741	GLU	-1	-0.916	-0.958	18.213	-0.299	-0.299	0.000	0.000	0.000	0.000
740	A	742	ILE	0	0.032	0.015	19.073	-0.021	-0.021	0.000	0.000	0.000	0.000
741	A	743	VAL	0	0.028	0.022	20.657	0.016	0.016	0.000	0.000	0.000	0.000
742	A	744	SER	0	0.057	0.013	22.232	-0.007	-0.007	0.000	0.000	0.000	0.000
743	A	745	THR	0	-0.051	-0.023	23.448	0.010	0.010	0.000	0.000	0.000	0.000
744	A	746	LYS	1	0.897	0.939	26.107	0.129	0.129	0.000	0.000	0.000	0.000
745	A	747	THR	0	0.021	0.040	29.332	-0.008	-0.008	0.000	0.000	0.000	0.000
746	A	748	GLN	0	-0.070	-0.027	27.878	0.013	0.013	0.000	0.000	0.000	0.000
747	A	749	THR	0	0.034	0.030	32.005	0.000	0.000	0.000	0.000	0.000	0.000
748	A	750	CYS	0	-0.035	0.000	26.251	-0.004	-0.004	0.000	0.000	0.000	0.000
749	A	751	GLU	-1	-0.809	-0.886	28.777	-0.100	-0.100	0.000	0.000	0.000	0.000
750	A	752	VAL	0	-0.019	-0.013	25.325	-0.012	-0.012	0.000	0.000	0.000	0.000
751	A	753	LEU	0	0.023	0.017	25.732	0.012	0.012	0.000	0.000	0.000	0.000
752	A	754	THR	0	-0.007	-0.017	24.146	-0.013	-0.013	0.000	0.000	0.000	0.000
753	A	755	ARG	1	0.945	0.979	24.507	0.141	0.141	0.000	0.000	0.000	0.000
754	A	756	ILE	0	-0.026	-0.029	24.343	0.009	0.009	0.000	0.000	0.000	0.000
755	A	757	SER	0	0.031	0.041	27.948	-0.006	-0.006	0.000	0.000	0.000	0.000
756	A	758	MET	0	-0.037	-0.012	23.338	-0.002	-0.002	0.000	0.000	0.000	0.000
757	A	759	ARG	1	0.908	0.965	28.341	0.120	0.120	0.000	0.000	0.000	0.000
758	A	760	ILE	0	0.070	0.021	27.833	-0.014	-0.014	0.000	0.000	0.000	0.000
759	A	761	THR	0	-0.061	-0.022	27.391	0.008	0.008	0.000	0.000	0.000	0.000
760	A	762	GLU	-1	-0.870	-0.952	27.441	-0.152	-0.152	0.000	0.000	0.000	0.000
761	A	763	SER	0	-0.056	-0.023	27.858	0.010	0.010	0.000	0.000	0.000	0.000
762	A	764	GLY	0	-0.073	-0.032	29.193	0.007	0.007	0.000	0.000	0.000	0.000
763	A	765	GLU	-1	-0.892	-0.932	30.991	-0.090	-0.090	0.000	0.000	0.000	0.000
764	A	766	GLU	-1	-1.038	-1.028	31.938	-0.098	-0.098	0.000	0.000	0.000	0.000
765	A	767	VAL	0	0.016	0.004	30.716	0.001	0.001	0.000	0.000	0.000	0.000
766	A	768	GLU	-1	-0.923	-0.966	33.143	-0.093	-0.093	0.000	0.000	0.000	0.000
767	A	769	GLY	0	-0.015	-0.022	33.143	-0.005	-0.005	0.000	0.000	0.000	0.000
768	A	770	ASP	-1	-0.966	-0.973	34.075	-0.079	-0.079	0.000	0.000	0.000	0.000
769	A	771	VAL	0	-0.036	-0.032	34.293	-0.004	-0.004	0.000	0.000	0.000	0.000
770	A	772	LEU	0	-0.049	-0.021	33.712	0.005	0.005	0.000	0.000	0.000	0.000
771	A	773	ASP	-1	-0.865	-0.952	35.549	-0.071	-0.071	0.000	0.000	0.000	0.000
772	A	774	SER	0	-0.066	-0.042	32.874	-0.005	-0.005	0.000	0.000	0.000	0.000
773	A	775	GLY	0	0.015	0.015	30.835	-0.005	-0.005	0.000	0.000	0.000	0.000
774	A	776	ARG	1	0.850	0.919	29.896	0.086	0.086	0.000	0.000	0.000	0.000
775	A	777	MET	0	-0.024	-0.009	29.296	0.008	0.008	0.000	0.000	0.000	0.000
776	A	778	SER	0	-0.032	0.001	30.437	-0.007	-0.007	0.000	0.000	0.000	0.000
777	A	779	PHE	0	0.057	0.016	26.362	0.002	0.002	0.000	0.000	0.000	0.000
778	A	780	GLN	0	-0.009	-0.006	31.556	-0.006	-0.006	0.000	0.000	0.000	0.000
779	A	781	VAL	0	0.004	0.014	27.345	-0.005	-0.005	0.000	0.000	0.000	0.000
780	A	782	GLU	-1	-0.856	-0.942	29.965	-0.103	-0.103	0.000	0.000	0.000	0.000
781	A	783	LYS	1	0.911	0.940	28.090	0.125	0.125	0.000	0.000	0.000	0.000
782	A	784	GLY	0	-0.065	-0.045	25.626	0.006	0.006	0.000	0.000	0.000	0.000
783	A	785	LYS	1	0.845	0.941	25.474	0.109	0.109	0.000	0.000	0.000	0.000
784	A	786	ARG	1	0.904	0.950	18.017	0.298	0.298	0.000	0.000	0.000	0.000
785	A	787	TYR	0	0.055	0.044	24.052	0.011	0.011	0.000	0.000	0.000	0.000
786	A	788	VAL	0	-0.015	-0.014	22.189	-0.023	-0.023	0.000	0.000	0.000	0.000
787	A	789	LEU	0	0.010	0.009	23.086	0.018	0.018	0.000	0.000	0.000	0.000
788	A	790	ASN	0	-0.021	-0.023	23.350	-0.016	-0.016	0.000	0.000	0.000	0.000
789	A	791	ARG	1	0.906	0.971	22.664	0.166	0.166	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Data Search

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:3:LEU)