FMODB

FMODB: The database of quantum mechanical data based on the FMO method

Last updated: 2025-04-23

All entries: 37539

Number of unique PDB entries: 7791

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FMODB ID: 3N1GL

Calculation Name: 5RLS-A-Xray89

Preferred Name:

Target Type:

Ligand Name: n-hydroxyquinoline-2-carboxamide

ligand 3-letter code: VWG

PDB ID: 5RLS

Chain ID: A

ChEMBL ID:

UniProt ID:

Base Structure: X-ray

Registration Date: 2021-02-01

Reference: T. Ohyama, K. Kamisaka, C. Watanabe, T. Honma et. al., FMO-based interaction energy analysis of SARS-Cov-2 related protein and ligand complexes, To be published.

DOI:

Apendix: None


IFIE MAP

IFIE Diagram


Modeling method
Optimization MOE:Amber10:EHT
Restraint OptHLSideSolv
Protonation MOE:Protonate 3D
Complement MOE:Structure Preparation
Water Waters within average of the temperature factors of receptor.
Procedure Auto-FMO protocol ver. 1.20200406
FMO calculation
FMO method FMO2-MP2/6-31G(d)
Fragmentation Auto
Number of fragment 780
LigandResidueName VWG
LigandFragmentNumber 701
LigandCharge CYM=-1
Software MIZUHO/ABINIT-MP 4.0(SMP)
Total energy (hartree)
FMO2-HF: Electronic energy -13457488.712256
FMO2-HF: Nuclear repulsion 13213552.889364
FMO2-HF: Total energy -243935.822892
FMO2-MP2: Total energy -244629.531554


3D Structure
Snapshot
 
Ligand structure

VWG

ligand structure
Ligand Interaction
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.
-22.658-20.36413.722-8.449-7.5680.021


Interactive mode: IFIE and PIEDA for fragment #701(A:925:HOH )


Summations of interaction energy for fragment #701(A:925:HOH )
IFIE [kcal/mol] PIEDA [kcal/mol] Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level. ESElectro static interaction energy. EXExchange-repulsion energy. CT+mixCharge transfer and mixing terms energy. DI(MP2)Dispersion energy. q(I=>J)Charge transfer value from I to J fragments.
-22.658-20.36413.722-8.449-7.568-0.021
Interaction energy analysis for fragmet #701(A:925:HOH )
Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE
Single fragment Multi fragments
Fragment list
Charge [e] FCHARGE : 0 / q_Mulliken : -0.021 / q_NPA : -0.018
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   
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].
1A1ALA 0-0.016-0.02049.144-0.001-0.0010.0000.0000.0000.000
2A2VAL 0-0.022-0.02648.7520.0000.0000.0000.0000.0000.000
3A3GLY 00.0160.02044.936-0.001-0.0010.0000.0000.0000.000
4A4ALA 00.0040.00941.5530.0010.0010.0000.0000.0000.000
5A5CYM -1-0.826-0.79642.479-0.072-0.0720.0000.0000.0000.000
6A6VAL 00.012-0.01838.810-0.005-0.0050.0000.0000.0000.000
7A7LEU 0-0.011-0.04538.736-0.005-0.0050.0000.0000.0000.000
8A8CYS 0-0.030-0.05540.195-0.002-0.0020.0000.0000.0000.000
9A9ASN 0-0.0080.00838.744-0.005-0.0050.0000.0000.0000.000
10A10SER 00.0240.01841.7910.0010.0010.0000.0000.0000.000
11A11GLN 00.0560.01445.086-0.001-0.0010.0000.0000.0000.000
12A12THR 0-0.026-0.01847.0970.0010.0010.0000.0000.0000.000
13A13SER 0-0.018-0.00548.669-0.001-0.0010.0000.0000.0000.000
14A14LEU 0-0.048-0.01250.1500.0010.0010.0000.0000.0000.000
15A15ARG 10.9310.97046.3980.0420.0420.0000.0000.0000.000
16A16CYM -1-0.838-0.71346.049-0.049-0.0490.0000.0000.0000.000
17A17GLY 00.033-0.01147.217-0.001-0.0010.0000.0000.0000.000
18A18ALA 00.013-0.00848.9580.0010.0010.0000.0000.0000.000
19A19CYS 0-0.039-0.07743.389-0.002-0.0020.0000.0000.0000.000
20A20ILE 00.0020.00939.8950.0010.0010.0000.0000.0000.000
21A21ARG 10.7500.85337.4510.0650.0650.0000.0000.0000.000
22A22ARG 10.8610.95641.6970.0420.0420.0000.0000.0000.000
23A23PRO 00.0270.02641.1730.0000.0000.0000.0000.0000.000
24A24PHE 00.0300.00443.0420.0030.0030.0000.0000.0000.000
25A25LEU 0-0.017-0.00443.694-0.004-0.0040.0000.0000.0000.000
26A26CYS 00.026-0.03545.7450.0030.0030.0000.0000.0000.000
27A27CYS 0-0.016-0.01048.0620.0000.0000.0000.0000.0000.000
28A28LYS 10.8690.92447.7990.0580.0580.0000.0000.0000.000
29A29CYS 00.0400.00344.3520.0000.0000.0000.0000.0000.000
30A30CYS 0-0.030-0.00847.1950.0000.0000.0000.0000.0000.000
31A31TYR 00.0270.02149.1130.0020.0020.0000.0000.0000.000
32A32ASP -1-0.808-0.89947.679-0.057-0.0570.0000.0000.0000.000
33A33HIS 10.8040.84245.8300.0560.0560.0000.0000.0000.000
34A34VAL 00.0150.01447.9670.0010.0010.0000.0000.0000.000
35A35ILE 0-0.036-0.00551.3050.0020.0020.0000.0000.0000.000
36A36SER 0-0.040-0.01848.3690.0010.0010.0000.0000.0000.000
37A37THR 0-0.045-0.01846.0380.0000.0000.0000.0000.0000.000
38A38SER 00.0360.01149.3520.0010.0010.0000.0000.0000.000
39A39HIS 0-0.014-0.03245.1430.0020.0020.0000.0000.0000.000
40A40LYS 10.8640.92950.3770.0410.0410.0000.0000.0000.000
41A41LEU 0-0.0160.01452.4360.0010.0010.0000.0000.0000.000
42A42VAL 00.0170.00251.656-0.002-0.0020.0000.0000.0000.000
43A43LEU 0-0.021-0.01849.8000.0020.0020.0000.0000.0000.000
44A44SER 00.0630.03951.754-0.003-0.0030.0000.0000.0000.000
45A45VAL 0-0.006-0.00553.3660.0000.0000.0000.0000.0000.000
46A46ASN 00.0280.03455.2650.0000.0000.0000.0000.0000.000
47A47PRO 0-0.002-0.00855.850-0.001-0.0010.0000.0000.0000.000
48A48TYR 0-0.055-0.04356.0700.0010.0010.0000.0000.0000.000
49A49VAL 00.0370.01658.175-0.001-0.0010.0000.0000.0000.000
50A50CYM -1-0.802-0.81260.813-0.025-0.0250.0000.0000.0000.000
51A51ASN 00.0180.01864.3750.0000.0000.0000.0000.0000.000
52A52ALA 0-0.018-0.01166.4860.0010.0010.0000.0000.0000.000
53A53PRO 00.012-0.01668.6750.0000.0000.0000.0000.0000.000
54A54GLY 0-0.0010.00968.6470.0000.0000.0000.0000.0000.000
55A55CYS 0-0.093-0.04167.0580.0000.0000.0000.0000.0000.000
56A56ASP -1-0.867-0.93163.386-0.025-0.0250.0000.0000.0000.000
57A57VAL 0-0.011-0.01962.603-0.001-0.0010.0000.0000.0000.000
58A58THR 00.035-0.00757.709-0.001-0.0010.0000.0000.0000.000
59A59ASP -1-0.830-0.87657.277-0.038-0.0380.0000.0000.0000.000
60A60VAL 00.0610.01154.4920.0010.0010.0000.0000.0000.000
61A61THR 0-0.061-0.07256.5270.0010.0010.0000.0000.0000.000
62A62GLN 0-0.091-0.03559.1200.0020.0020.0000.0000.0000.000
63A63LEU 0-0.018-0.00159.6180.0010.0010.0000.0000.0000.000
64A64TYR 0-0.018-0.02162.475-0.001-0.0010.0000.0000.0000.000
65A65LEU 00.0160.01462.2250.0000.0000.0000.0000.0000.000
66A66GLY 0-0.014-0.01864.8340.0000.0000.0000.0000.0000.000
67A67GLY 00.0060.00268.3200.0010.0010.0000.0000.0000.000
68A68MET 0-0.023-0.02764.865-0.001-0.0010.0000.0000.0000.000
69A69SER 0-0.0060.00463.9390.0000.0000.0000.0000.0000.000
70A70TYR 0-0.056-0.04959.317-0.001-0.0010.0000.0000.0000.000
71A71TYR 00.0410.00464.3340.0010.0010.0000.0000.0000.000
72A72CYS 0-0.017-0.01165.506-0.001-0.0010.0000.0000.0000.000
73A73LYS 10.9990.98066.4660.0270.0270.0000.0000.0000.000
74A74SER 0-0.015-0.01668.6750.0010.0010.0000.0000.0000.000
75A75HIS 10.8930.92569.1310.0230.0230.0000.0000.0000.000
76A76LYS 10.8860.98368.6740.0260.0260.0000.0000.0000.000
77A77PRO 00.0280.03769.9500.0010.0010.0000.0000.0000.000
78A78PRO 00.005-0.00172.474-0.001-0.0010.0000.0000.0000.000
79A79ILE 00.0000.00771.361-0.001-0.0010.0000.0000.0000.000
80A80SER 00.000-0.01067.9500.0000.0000.0000.0000.0000.000
81A81PHE 00.0130.01563.7200.0000.0000.0000.0000.0000.000
82A82PRO 0-0.0040.01262.4080.0000.0000.0000.0000.0000.000
83A83LEU 0-0.002-0.00458.484-0.001-0.0010.0000.0000.0000.000
84A84CYS 0-0.0360.00357.120-0.002-0.0020.0000.0000.0000.000
85A85ALA 00.0450.01458.2440.0010.0010.0000.0000.0000.000
86A86ASN 0-0.006-0.00258.129-0.001-0.0010.0000.0000.0000.000
87A87GLY 00.0230.01854.403-0.001-0.0010.0000.0000.0000.000
88A88GLN 0-0.052-0.03553.073-0.003-0.0030.0000.0000.0000.000
89A89VAL 00.0450.02953.1600.0020.0020.0000.0000.0000.000
90A90PHE 00.006-0.00554.646-0.001-0.0010.0000.0000.0000.000
91A91GLY 00.0930.04254.5490.0000.0000.0000.0000.0000.000
92A92LEU 0-0.034-0.00653.8240.0000.0000.0000.0000.0000.000
93A93TYR 0-0.025-0.03451.277-0.001-0.0010.0000.0000.0000.000
94A94LYS 10.9991.01351.9430.0380.0380.0000.0000.0000.000
95A95NME 00.0140.02652.844-0.002-0.0020.0000.0000.0000.000
96A102ACE 00.0560.01738.875-0.001-0.0010.0000.0000.0000.000
97A103VAL 0-0.009-0.01239.5390.0020.0020.0000.0000.0000.000
98A104THR 00.0470.01442.0830.0020.0020.0000.0000.0000.000
99A105ASP -1-0.800-0.87536.881-0.095-0.0950.0000.0000.0000.000
100A106PHE 00.003-0.00438.8590.0000.0000.0000.0000.0000.000
101A107ASN 00.0300.00740.1370.0030.0030.0000.0000.0000.000
102A108ALA 00.0260.03839.6030.0030.0030.0000.0000.0000.000
103A109ILE 00.0070.01035.2440.0010.0010.0000.0000.0000.000
104A110ALA 0-0.028-0.01738.4470.0020.0020.0000.0000.0000.000
105A111THR 00.003-0.00341.4380.0030.0030.0000.0000.0000.000
106A112CYS 0-0.0300.03238.3400.0020.0020.0000.0000.0000.000
107A113ASP -1-0.730-0.80640.365-0.054-0.0540.0000.0000.0000.000
108A114TRP 0-0.022-0.01933.286-0.003-0.0030.0000.0000.0000.000
109A115THR 00.0250.00635.721-0.001-0.0010.0000.0000.0000.000
110A116ASN 0-0.032-0.00236.6830.0050.0050.0000.0000.0000.000
111A117ALA 00.0750.03231.804-0.004-0.0040.0000.0000.0000.000
112A118GLY 00.0180.00132.552-0.008-0.0080.0000.0000.0000.000
113A119ASP -1-0.754-0.83934.834-0.075-0.0750.0000.0000.0000.000
114A120TYR 00.021-0.02629.481-0.005-0.0050.0000.0000.0000.000
115A121ILE 0-0.0060.01229.843-0.011-0.0110.0000.0000.0000.000
116A122LEU 00.0290.04330.712-0.009-0.0090.0000.0000.0000.000
117A123ALA 0-0.023-0.01330.812-0.004-0.0040.0000.0000.0000.000
118A124ASN 0-0.009-0.01826.057-0.019-0.0190.0000.0000.0000.000
119A125THR 0-0.026-0.02328.074-0.009-0.0090.0000.0000.0000.000
120A126CYS 0-0.0500.01730.3600.0020.0020.0000.0000.0000.000
121A127THR 00.0250.00731.132-0.012-0.0120.0000.0000.0000.000
122A128GLU -1-0.693-0.82527.245-0.182-0.1820.0000.0000.0000.000
123A129ARG 10.8910.94530.8600.0970.0970.0000.0000.0000.000
124A130LEU 00.017-0.00133.8530.0050.0050.0000.0000.0000.000
125A131LYS 10.8390.94825.7780.1940.1940.0000.0000.0000.000
126A132LEU 00.0070.01428.9950.0010.0010.0000.0000.0000.000
127A133PHE 00.0300.01331.9450.0060.0060.0000.0000.0000.000
128A134ALA 00.0230.00532.4060.0060.0060.0000.0000.0000.000
129A135ALA 0-0.024-0.01829.7420.0040.0040.0000.0000.0000.000
130A136GLU -1-0.761-0.86231.607-0.073-0.0730.0000.0000.0000.000
131A137THR 0-0.004-0.01234.5040.0080.0080.0000.0000.0000.000
132A138LEU 0-0.0660.02130.6920.0050.0050.0000.0000.0000.000
133A139LYS 10.9670.99628.6770.0910.0910.0000.0000.0000.000
134A140ALA 0-0.015-0.00933.8980.0060.0060.0000.0000.0000.000
135A141THR 00.015-0.00137.4570.0060.0060.0000.0000.0000.000
136A142GLU -1-0.721-0.80531.767-0.075-0.0750.0000.0000.0000.000
137A143GLU -1-0.808-0.88034.650-0.042-0.0420.0000.0000.0000.000
138A144THR 00.010-0.00638.0370.0040.0040.0000.0000.0000.000
139A145PHE 0-0.0150.00838.7240.0030.0030.0000.0000.0000.000
140A146LYS 10.7820.86834.1350.0440.0440.0000.0000.0000.000
141A147LEU 0-0.0090.00540.6010.0030.0030.0000.0000.0000.000
142A148SER 0-0.009-0.00743.1440.0020.0020.0000.0000.0000.000
143A149TYR 0-0.010-0.01137.9590.0020.0020.0000.0000.0000.000
144A150GLY 0-0.0170.00044.2950.0000.0000.0000.0000.0000.000
145A151ILE 0-0.020-0.02445.3820.0000.0000.0000.0000.0000.000
146A152ALA 0-0.0100.00045.0340.0010.0010.0000.0000.0000.000
147A153THR 00.0270.00446.9930.0000.0000.0000.0000.0000.000
148A154VAL 0-0.030-0.00347.2540.0010.0010.0000.0000.0000.000
149A155ARG 10.8370.92249.829-0.006-0.0060.0000.0000.0000.000
150A156GLU -1-0.848-0.93250.9860.0100.0100.0000.0000.0000.000
151A157VAL 00.001-0.00547.2130.0000.0000.0000.0000.0000.000
152A158LEU 0-0.0250.00046.9370.0000.0000.0000.0000.0000.000
153A159SER 00.0510.01144.8760.0010.0010.0000.0000.0000.000
154A160ASP -1-0.883-0.92141.9250.0310.0310.0000.0000.0000.000
155A161ARG 10.8620.90938.620-0.038-0.0380.0000.0000.0000.000
156A162GLU -1-0.925-0.97541.0960.0230.0230.0000.0000.0000.000
157A163LEU 0-0.057-0.01943.7290.0000.0000.0000.0000.0000.000
158A164HIS 00.0930.05645.943-0.002-0.0020.0000.0000.0000.000
159A165LEU 0-0.035-0.02144.0040.0000.0000.0000.0000.0000.000
160A166SER 0-0.054-0.03048.579-0.001-0.0010.0000.0000.0000.000
161A167TRP 00.014-0.01442.501-0.001-0.0010.0000.0000.0000.000
162A168GLU -1-0.842-0.90549.291-0.014-0.0140.0000.0000.0000.000
163A169VAL 00.0070.00050.500-0.001-0.0010.0000.0000.0000.000
164A170GLY 00.003-0.00252.749-0.001-0.0010.0000.0000.0000.000
165A171LYS 10.8610.94647.2390.0180.0180.0000.0000.0000.000
166A172PRO 0-0.015-0.00144.6910.0020.0020.0000.0000.0000.000
167A173ARG 10.9440.96244.0450.0120.0120.0000.0000.0000.000
168A174PRO 0-0.0040.01138.913-0.001-0.0010.0000.0000.0000.000
169A175PRO 0-0.035-0.02235.8810.0030.0030.0000.0000.0000.000
170A176LEU 0-0.0010.00936.8930.0000.0000.0000.0000.0000.000
171A177ASN 00.0460.01832.3490.0010.0010.0000.0000.0000.000
172A178ARG 10.8940.94629.886-0.018-0.0180.0000.0000.0000.000
173A179ASN 0-0.036-0.00828.268-0.002-0.0020.0000.0000.0000.000
174A180TYR 0-0.015-0.00330.494-0.006-0.0060.0000.0000.0000.000
175A181VAL 0-0.031-0.01231.1100.0040.0040.0000.0000.0000.000
176A182PHE 00.0190.01334.202-0.004-0.0040.0000.0000.0000.000
177A183THR 0-0.004-0.01337.4890.0020.0020.0000.0000.0000.000
178A184GLY 0-0.0130.00339.438-0.001-0.0010.0000.0000.0000.000
179A185TYR 0-0.076-0.05042.309-0.001-0.0010.0000.0000.0000.000
180A186NME 00.0270.05745.7730.0000.0000.0000.0000.0000.000
181A193ACE 00.0930.01148.2650.0000.0000.0000.0000.0000.000
182A194GLN 0-0.058-0.04843.924-0.002-0.0020.0000.0000.0000.000
183A195ILE 00.0050.03042.8070.0000.0000.0000.0000.0000.000
184A196GLY 00.0460.05539.1540.0030.0030.0000.0000.0000.000
185A197GLU -1-0.891-0.95733.578-0.014-0.0140.0000.0000.0000.000
186A198TYR 00.0250.01537.1320.0050.0050.0000.0000.0000.000
187A199THR 0-0.045-0.03232.575-0.002-0.0020.0000.0000.0000.000
188A200PHE 00.005-0.01935.9820.0030.0030.0000.0000.0000.000
189A201GLU -1-0.838-0.92733.1240.0080.0080.0000.0000.0000.000
190A202LYS 10.8750.94137.543-0.003-0.0030.0000.0000.0000.000
191A203NME 00.0290.02939.8520.0020.0020.0000.0000.0000.000
192A206ACE 00.0160.00048.2050.0000.0000.0000.0000.0000.000
193A207ASH 0-0.084-0.05947.610-0.002-0.0020.0000.0000.0000.000
194A208ALA 00.0460.03745.754-0.001-0.0010.0000.0000.0000.000
195A209VAL 0-0.042-0.00541.2050.0010.0010.0000.0000.0000.000
196A210VAL 00.0870.04037.8790.0010.0010.0000.0000.0000.000
197A211TYR 0-0.014-0.01039.301-0.003-0.0030.0000.0000.0000.000
198A212ARG 10.9530.96632.286-0.019-0.0190.0000.0000.0000.000
199A213GLY 00.0390.03135.899-0.003-0.0030.0000.0000.0000.000
200A214THR 0-0.136-0.07132.9620.0030.0030.0000.0000.0000.000
201A215THR 00.0170.00234.8690.0040.0040.0000.0000.0000.000
202A216THR 0-0.012-0.01437.9790.0000.0000.0000.0000.0000.000
203A217TYR 00.0140.00640.1940.0000.0000.0000.0000.0000.000
204A218LYS 10.8870.95443.675-0.019-0.0190.0000.0000.0000.000
205A219LEU 0-0.033-0.02043.177-0.001-0.0010.0000.0000.0000.000
206A220ASN 0-0.0060.00046.9490.0020.0020.0000.0000.0000.000
207A221VAL 0-0.015-0.01650.070-0.001-0.0010.0000.0000.0000.000
208A222GLY 00.0050.00652.0360.0000.0000.0000.0000.0000.000
209A223ASP -1-0.827-0.90447.7960.0030.0030.0000.0000.0000.000
210A224TYR 0-0.005-0.02147.2900.0000.0000.0000.0000.0000.000
211A225PHE 00.017-0.00641.8830.0000.0000.0000.0000.0000.000
212A226VAL 00.001-0.01142.912-0.001-0.0010.0000.0000.0000.000
213A227LEU 0-0.003-0.00136.9340.0000.0000.0000.0000.0000.000
214A228THR 00.0210.01234.8820.0000.0000.0000.0000.0000.000
215A229SER 00.0450.03536.813-0.005-0.0050.0000.0000.0000.000
216A230HIS 0-0.051-0.01935.2820.0040.0040.0000.0000.0000.000
217A231THR 00.0170.00337.414-0.002-0.0020.0000.0000.0000.000
218A232VAL 0-0.032-0.00434.032-0.002-0.0020.0000.0000.0000.000
219A233MET 00.0360.02334.0090.0020.0020.0000.0000.0000.000
220A234PRO 00.0460.02234.506-0.005-0.0050.0000.0000.0000.000
221A235LEU 0-0.067-0.00129.749-0.002-0.0020.0000.0000.0000.000
222A236SER 0-0.009-0.00931.9610.0000.0000.0000.0000.0000.000
223A237ALA 00.0070.01827.983-0.002-0.0020.0000.0000.0000.000
224A238PRO 00.0310.03926.4220.0030.0030.0000.0000.0000.000
225A239THR 0-0.042-0.03524.234-0.012-0.0120.0000.0000.0000.000
226A240LEU 0-0.0060.00219.439-0.019-0.0190.0000.0000.0000.000
227A241VAL 00.0300.03022.1660.0220.0220.0000.0000.0000.000
228A242PRO 0-0.009-0.01523.901-0.016-0.0160.0000.0000.0000.000
229A243GLN 00.0280.00518.4220.0110.0110.0000.0000.0000.000
230A244GLU -1-0.824-0.86422.309-0.187-0.1870.0000.0000.0000.000
231A245HIS 00.0100.00618.725-0.005-0.0050.0000.0000.0000.000
232A246TYR 0-0.081-0.07220.0780.0230.0230.0000.0000.0000.000
233A247VAL 00.0440.01521.421-0.019-0.0190.0000.0000.0000.000
234A248ARG 10.9060.95220.9550.1640.1640.0000.0000.0000.000
235A249ILE 00.0250.01915.794-0.010-0.0100.0000.0000.0000.000
236A250THR 00.0040.00919.1390.0470.0470.0000.0000.0000.000
237A251GLY 0-0.025-0.00720.384-0.016-0.0160.0000.0000.0000.000
238A252LEU 00.0210.03015.6070.0130.0130.0000.0000.0000.000
239A253TYR 0-0.011-0.02018.907-0.006-0.0060.0000.0000.0000.000
240A254PRO 00.0030.00515.3240.0140.0140.0000.0000.0000.000
241A255THR 0-0.0080.01414.9740.0110.0110.0000.0000.0000.000
242A256LEU 00.001-0.00415.937-0.027-0.0270.0000.0000.0000.000
243A257ASN 0-0.0220.00516.7020.0110.0110.0000.0000.0000.000
244A258ILE 0-0.013-0.02310.1200.0020.0020.0000.0000.0000.000
245A259SER 00.0460.02111.3300.0210.0210.0000.0000.0000.000
246A260ASP -1-0.780-0.89310.2360.4240.4240.0000.0000.0000.000
247A261GLU -1-0.791-0.8388.2541.4281.4280.0000.0000.0000.000
248A262PHE 0-0.044-0.0195.6560.8950.8950.0000.0000.0000.000
249A263SER 00.0700.0386.657-0.571-0.5710.0000.0000.0000.000
250A264SER 0-0.018-0.0244.363-0.233-0.176-0.001-0.009-0.0480.000
251A265ASN 0-0.037-0.0051.899-17.361-20.20511.792-5.422-3.527-0.022
252A266VAL 00.0540.0374.8760.2140.238-0.001-0.007-0.0160.000
253A267ALA 00.0230.0198.7090.0550.0550.0000.0000.0000.000
254A268ASN 0-0.015-0.0315.8260.5740.5740.0000.0000.0000.000
255A269TYR 00.0250.0035.5830.2420.2420.0000.0000.0000.000
256A270GLN 00.0070.0289.6220.1800.1800.0000.0000.0000.000
257A271LYS 10.9160.96111.6250.8360.8360.0000.0000.0000.000
258A272VAL 0-0.022-0.00310.1890.0740.0740.0000.0000.0000.000
259A273GLY 00.0470.02513.1330.0880.0880.0000.0000.0000.000
260A274MET 0-0.067-0.03715.8990.0600.0600.0000.0000.0000.000
261A275GLN 00.0120.00016.1530.0110.0110.0000.0000.0000.000
262A276LYS 10.8500.95618.0250.2060.2060.0000.0000.0000.000
263A277TYR 0-0.003-0.01617.0080.0000.0000.0000.0000.0000.000
264A278SER 00.0080.00412.779-0.051-0.0510.0000.0000.0000.000
265A279THR 0-0.017-0.02212.889-0.002-0.0020.0000.0000.0000.000
266A280LEU 00.0160.0025.019-0.097-0.0970.0000.0000.0000.000
267A281GLN 00.0090.0069.4120.1180.1180.0000.0000.0000.000
268A282GLY 00.005-0.0217.103-0.304-0.3040.0000.0000.0000.000
269A283PRO 0-0.0070.0217.8480.2150.2150.0000.0000.0000.000
270A284PRO 0-0.005-0.0018.826-0.003-0.0030.0000.0000.0000.000
271A285GLY 00.0500.0278.7590.0240.0240.0000.0000.0000.000
272A286THR 0-0.030-0.0065.9010.3010.3010.0000.0000.0000.000
273A287GLY 00.0490.0312.922-0.3520.3150.079-0.358-0.3880.001
274A288LYS 10.8830.9482.665-2.935-1.9560.370-0.690-0.658-0.009
275A289SER 00.0240.0175.1270.0170.033-0.0010.000-0.0160.000
276A290HIS 00.0150.0233.7112.2192.5440.009-0.123-0.2110.001
277A291PHE 00.0010.0062.581-0.1161.0010.150-0.603-0.6640.003
278A292ALA 00.0430.0094.1120.0300.1270.002-0.053-0.0460.000
279A293ILE 0-0.0190.0057.8080.0110.0110.0000.0000.0000.000
280A294GLY 00.0670.0227.224-0.035-0.0350.0000.0000.0000.000
281A295LEU 0-0.035-0.0058.191-0.162-0.1620.0000.0000.0000.000
282A296ALA 0-0.017-0.0109.729-0.007-0.0070.0000.0000.0000.000
283A297LEU 0-0.011-0.00210.3740.0030.0030.0000.0000.0000.000
284A298TYR 0-0.015-0.00610.222-0.042-0.0420.0000.0000.0000.000
285A299TYR 0-0.019-0.04212.2960.0050.0050.0000.0000.0000.000
286A300PRO 00.0440.04315.3010.0050.0050.0000.0000.0000.000
287A301SER 00.0290.02217.1880.0050.0050.0000.0000.0000.000
288A302ALA 0-0.0250.00116.877-0.001-0.0010.0000.0000.0000.000
289A303ARG 10.8500.93218.4430.0770.0770.0000.0000.0000.000
290A304ILE 0-0.033-0.01613.698-0.033-0.0330.0000.0000.0000.000
291A305VAL 00.0150.01417.3370.0340.0340.0000.0000.0000.000
292A306TYR 0-0.033-0.03011.150-0.029-0.0290.0000.0000.0000.000
293A307THR 0-0.003-0.02115.8700.0330.0330.0000.0000.0000.000
294A308ALA 00.0240.00015.744-0.045-0.0450.0000.0000.0000.000
295A309CYS 0-0.0150.00717.7270.0180.0180.0000.0000.0000.000
296A310SER 0-0.001-0.00218.9460.0280.0280.0000.0000.0000.000
297A311HIS 00.0570.01619.808-0.001-0.0010.0000.0000.0000.000
298A312ALA 00.0510.03619.2730.0100.0100.0000.0000.0000.000
299A313ALA 00.0060.01315.4740.0210.0210.0000.0000.0000.000
300A314VAL 00.0360.02015.0460.0040.0040.0000.0000.0000.000
301A315ASP -1-0.754-0.87816.5650.0750.0750.0000.0000.0000.000
302A316ALA 00.0170.01913.3890.0380.0380.0000.0000.0000.000
303A317LEU 0-0.050-0.03110.6290.0730.0730.0000.0000.0000.000
304A318CYS 0-0.035-0.01213.1750.0380.0380.0000.0000.0000.000
305A319GLU -1-0.833-0.90614.5640.2500.2500.0000.0000.0000.000
306A320LYS 10.7440.8617.816-1.299-1.2990.0000.0000.0000.000
307A321ALA 00.021-0.00212.2360.0640.0640.0000.0000.0000.000
308A322LEU 0-0.0030.00914.148-0.003-0.0030.0000.0000.0000.000
309A323LYS 10.8810.96411.874-0.784-0.7840.0000.0000.0000.000
310A324TYR 0-0.120-0.0839.6460.1250.1250.0000.0000.0000.000
311A325LEU 00.0190.01413.471-0.033-0.0330.0000.0000.0000.000
312A326PRO 0-0.004-0.00116.215-0.004-0.0040.0000.0000.0000.000
313A327ILE 00.0830.04120.055-0.018-0.0180.0000.0000.0000.000
314A328ASP -1-0.837-0.89821.7170.0750.0750.0000.0000.0000.000
315A329LYS 10.8460.92621.146-0.095-0.0950.0000.0000.0000.000
316A330CYS 0-0.0540.00218.836-0.010-0.0100.0000.0000.0000.000
317A331SER 0-0.036-0.03021.130-0.002-0.0020.0000.0000.0000.000
318A332ARG 10.8400.90920.800-0.033-0.0330.0000.0000.0000.000
319A333ILE 0-0.026-0.02122.973-0.001-0.0010.0000.0000.0000.000
320A334ILE 00.017-0.00124.749-0.004-0.0040.0000.0000.0000.000
321A335PRO 0-0.035-0.01127.109-0.002-0.0020.0000.0000.0000.000
322A336ALA 00.0480.00930.0880.0040.0040.0000.0000.0000.000
323A337ARG 10.9520.98833.4410.0170.0170.0000.0000.0000.000
324A338ALA 00.0240.00330.673-0.004-0.0040.0000.0000.0000.000
325A339ARG 10.8950.95727.5020.0260.0260.0000.0000.0000.000
326A340VAL 0-0.026-0.03225.5880.0010.0010.0000.0000.0000.000
327A341GLU -1-0.916-0.94327.8830.0510.0510.0000.0000.0000.000
328A342CYS 0-0.103-0.05023.908-0.005-0.0050.0000.0000.0000.000
329A343PHE 00.0250.00419.2370.0030.0030.0000.0000.0000.000
330A344ASP -1-0.832-0.89322.7000.0960.0960.0000.0000.0000.000
331A345LYS 10.8430.91322.104-0.130-0.1300.0000.0000.0000.000
332A346PHE 0-0.0130.00617.526-0.001-0.0010.0000.0000.0000.000
333A347LYS 10.9190.95623.723-0.039-0.0390.0000.0000.0000.000
334A348VAL 00.0350.02425.752-0.005-0.0050.0000.0000.0000.000
335A349ASN 0-0.034-0.01827.016-0.006-0.0060.0000.0000.0000.000
336A350SER 0-0.051-0.03326.984-0.008-0.0080.0000.0000.0000.000
337A351THR 00.044-0.00326.041-0.002-0.0020.0000.0000.0000.000
338A352LEU 0-0.021-0.01925.804-0.010-0.0100.0000.0000.0000.000
339A353GLU -1-0.742-0.79123.6150.0250.0250.0000.0000.0000.000
340A354GLN 0-0.059-0.04819.1330.0000.0000.0000.0000.0000.000
341A355TYR 0-0.021-0.03916.207-0.003-0.0030.0000.0000.0000.000
342A356VAL 0-0.0070.00119.2010.0150.0150.0000.0000.0000.000
343A357PHE 00.0370.01614.307-0.025-0.0250.0000.0000.0000.000
344A358CYS 0-0.011-0.00419.1870.0180.0180.0000.0000.0000.000
345A359THR 0-0.0100.01420.273-0.018-0.0180.0000.0000.0000.000
346A360VAL 00.0590.02520.7610.0030.0030.0000.0000.0000.000
347A361ASN 0-0.044-0.03623.0420.0010.0010.0000.0000.0000.000
348A362ALA 0-0.066-0.02425.5440.0070.0070.0000.0000.0000.000
349A363LEU 0-0.0010.00921.4170.0060.0060.0000.0000.0000.000
350A364PRO 00.0250.01124.9970.0000.0000.0000.0000.0000.000
351A365GLU -1-0.858-0.91727.037-0.092-0.0920.0000.0000.0000.000
352A366THR 0-0.053-0.02624.5910.0080.0080.0000.0000.0000.000
353A367THR 00.0060.00425.010-0.011-0.0110.0000.0000.0000.000
354A368ALA 0-0.0090.00020.0860.0120.0120.0000.0000.0000.000
355A369ASP -1-0.736-0.83119.404-0.126-0.1260.0000.0000.0000.000
356A370ILE 0-0.010-0.02613.631-0.038-0.0380.0000.0000.0000.000
357A371VAL 00.0270.03416.8790.0420.0420.0000.0000.0000.000
358A372VAL 0-0.014-0.01310.722-0.070-0.0700.0000.0000.0000.000
359A373PHE 00.004-0.01313.8120.0740.0740.0000.0000.0000.000
360A374ASP -1-0.702-0.79710.782-0.442-0.4420.0000.0000.0000.000
361A375GLU -1-0.773-0.83812.412-0.034-0.0340.0000.0000.0000.000
362A376ILE 00.0180.01513.8750.0560.0560.0000.0000.0000.000
363A377SER 00.0350.01815.6850.0170.0170.0000.0000.0000.000
364A378MET 0-0.063-0.00417.6590.0300.0300.0000.0000.0000.000
365A379ALA 0-0.0230.01019.1480.0240.0240.0000.0000.0000.000
366A380THR 0-0.006-0.00220.808-0.004-0.0040.0000.0000.0000.000
367A381ASN 00.056-0.01623.746-0.027-0.0270.0000.0000.0000.000
368A382TYR 00.011-0.00925.693-0.001-0.0010.0000.0000.0000.000
369A383ASP -1-0.762-0.82322.718-0.122-0.1220.0000.0000.0000.000
370A384LEU 0-0.0380.00119.517-0.003-0.0030.0000.0000.0000.000
371A385SER 00.0340.01822.951-0.001-0.0010.0000.0000.0000.000
372A386VAL 0-0.015-0.01125.7680.0040.0040.0000.0000.0000.000
373A387VAL 0-0.005-0.00219.9300.0070.0070.0000.0000.0000.000
374A388ASN 0-0.052-0.02222.810-0.007-0.0070.0000.0000.0000.000
375A389ALA 0-0.0130.00524.7580.0060.0060.0000.0000.0000.000
376A390ARG 10.8450.92625.9420.0840.0840.0000.0000.0000.000
377A391LEU 00.0230.02420.8920.0070.0070.0000.0000.0000.000
378A392ARG 10.8320.91224.4100.1070.1070.0000.0000.0000.000
379A393ALA 00.007-0.00120.2220.0110.0110.0000.0000.0000.000
380A394LYS 10.7580.87320.6920.1350.1350.0000.0000.0000.000
381A395HIS 10.7740.87516.3510.3160.3160.0000.0000.0000.000
382A396TYR 00.0100.00316.8400.0230.0230.0000.0000.0000.000
383A397VAL 00.004-0.00110.130-0.055-0.0550.0000.0000.0000.000
384A398TYR 00.000-0.00213.2160.0520.0520.0000.0000.0000.000
385A399ILE 00.0260.0127.347-0.138-0.1380.0000.0000.0000.000
386A400GLY 00.0270.00010.2750.1880.1880.0000.0000.0000.000
387A401ASP -1-0.713-0.83510.784-0.524-0.5240.0000.0000.0000.000
388A402PRO 00.0310.02213.1370.0690.0690.0000.0000.0000.000
389A403ALA 00.0320.02515.5630.0440.0440.0000.0000.0000.000
390A404GLN 0-0.060-0.03912.0210.1030.1030.0000.0000.0000.000
391A405LEU 00.0220.01617.156-0.005-0.0050.0000.0000.0000.000
392A406PRO 00.0300.03519.366-0.018-0.0180.0000.0000.0000.000
393A407ALA 00.0310.00621.6470.0180.0180.0000.0000.0000.000
394A408PRO 0-0.040-0.02123.909-0.001-0.0010.0000.0000.0000.000
395A409ARG 10.8060.91224.0240.1270.1270.0000.0000.0000.000
396A410THR 0-0.031-0.01629.9970.0020.0020.0000.0000.0000.000
397A411LEU 00.0100.01333.1410.0050.0050.0000.0000.0000.000
398A412LEU 0-0.0740.00130.3910.0020.0020.0000.0000.0000.000
399A413THR 0-0.012-0.01333.9990.0010.0010.0000.0000.0000.000
400A414LYS 10.8390.94136.4160.0540.0540.0000.0000.0000.000
401A415GLY 00.0740.03234.516-0.004-0.0040.0000.0000.0000.000
402A416THR 00.0120.00829.3380.0040.0040.0000.0000.0000.000
403A417LEU 0-0.007-0.00125.966-0.003-0.0030.0000.0000.0000.000
404A418GLU -1-0.753-0.86025.498-0.129-0.1290.0000.0000.0000.000
405A419PRO 00.0560.01720.010-0.006-0.0060.0000.0000.0000.000
406A420GLU -1-0.871-0.88421.522-0.200-0.2000.0000.0000.0000.000
407A421TYR 00.005-0.01023.0110.0010.0010.0000.0000.0000.000
408A422PHE 0-0.0230.02019.5580.0090.0090.0000.0000.0000.000
409A423ASN 00.0210.00219.158-0.011-0.0110.0000.0000.0000.000
410A424SER 00.050-0.00222.185-0.007-0.0070.0000.0000.0000.000
411A425VAL 00.0050.01615.760-0.014-0.0140.0000.0000.0000.000
412A426CYS 0-0.063-0.02517.878-0.041-0.0410.0000.0000.0000.000
413A427ARG 10.8720.92518.8780.1870.1870.0000.0000.0000.000
414A428LEU 0-0.0320.00419.0420.0050.0050.0000.0000.0000.000
415A429MET 0-0.016-0.01212.5040.0080.0080.0000.0000.0000.000
416A430LYS 10.8860.94317.1600.2320.2320.0000.0000.0000.000
417A431THR 0-0.039-0.02119.8140.0210.0210.0000.0000.0000.000
418A432ILE 0-0.027-0.00919.2910.0150.0150.0000.0000.0000.000
419A433GLY 00.0310.04417.266-0.013-0.0130.0000.0000.0000.000
420A434PRO 0-0.043-0.02012.0200.0040.0040.0000.0000.0000.000
421A435ASP -1-0.804-0.86412.696-0.629-0.6290.0000.0000.0000.000
422A436MET 0-0.049-0.0107.844-0.144-0.1440.0000.0000.0000.000
423A437PHE 00.0410.0188.8420.0510.0510.0000.0000.0000.000
424A438LEU 0-0.070-0.0112.699-1.359-0.3620.406-0.639-0.7630.002
425A439GLY 00.0850.0195.8860.4840.4840.0000.0000.0000.000
426A440THR 0-0.029-0.0087.1420.1590.1590.0000.0000.0000.000
427A441CYS 0-0.0230.0007.3900.3900.3900.0000.0000.0000.000
428A442ARG 10.8940.9306.386-1.801-1.8010.0000.0000.0000.000
429A443ARG 10.8110.9019.928-0.354-0.3540.0000.0000.0000.000
430A444CYS 0-0.044-0.01312.510-0.042-0.0420.0000.0000.0000.000
431A445PRO 00.0630.05915.3360.0250.0250.0000.0000.0000.000
432A446ALA 00.0360.00717.699-0.025-0.0250.0000.0000.0000.000
433A447GLU -1-0.733-0.86018.6890.1060.1060.0000.0000.0000.000
434A448ILE 0-0.0010.00516.987-0.025-0.0250.0000.0000.0000.000
435A449VAL 0-0.031-0.02413.938-0.027-0.0270.0000.0000.0000.000
436A450ASP -1-0.808-0.89016.5130.0110.0110.0000.0000.0000.000
437A451THR 0-0.036-0.00519.441-0.027-0.0270.0000.0000.0000.000
438A452VAL 00.0310.01815.721-0.021-0.0210.0000.0000.0000.000
439A453SER 0-0.038-0.01516.289-0.054-0.0540.0000.0000.0000.000
440A454ALA 00.0330.03217.404-0.029-0.0290.0000.0000.0000.000
441A455LEU 0-0.099-0.02820.648-0.011-0.0110.0000.0000.0000.000
442A456VAL 0-0.034-0.02716.970-0.006-0.0060.0000.0000.0000.000
443A457TYR 0-0.048-0.04613.785-0.018-0.0180.0000.0000.0000.000
444A458ASP -1-0.822-0.90716.543-0.227-0.2270.0000.0000.0000.000
445A459ASN 0-0.030-0.02518.5440.0090.0090.0000.0000.0000.000
446A460LYS 10.8550.93714.2470.2500.2500.0000.0000.0000.000
447A461LEU 0-0.052-0.00710.420-0.047-0.0470.0000.0000.0000.000
448A462LYS 10.8820.93912.0300.0940.0940.0000.0000.0000.000
449A463ALA 00.0030.01012.2040.0560.0560.0000.0000.0000.000
450A464HIS 00.0760.05710.8230.1430.1430.0000.0000.0000.000
451A465LYS 10.8310.92212.968-0.449-0.4490.0000.0000.0000.000
452A466ASP -1-0.776-0.88015.8210.1360.1360.0000.0000.0000.000
453A467LYS 10.8710.91619.421-0.061-0.0610.0000.0000.0000.000
454A468SER 0-0.038-0.02221.209-0.001-0.0010.0000.0000.0000.000
455A469ALA 00.0120.01922.768-0.003-0.0030.0000.0000.0000.000
456A470GLN 0-0.0270.00824.6490.0020.0020.0000.0000.0000.000
457A471CYS 0-0.0340.01622.8210.0040.0040.0000.0000.0000.000
458A472PHE 00.0430.01925.513-0.007-0.0070.0000.0000.0000.000
459A473LYS 10.8060.91328.225-0.018-0.0180.0000.0000.0000.000
460A474MET 00.0040.00530.269-0.001-0.0010.0000.0000.0000.000
461A475PHE 00.0170.01933.672-0.003-0.0030.0000.0000.0000.000
462A476TYR 00.0410.01635.6270.0000.0000.0000.0000.0000.000
463A477LYS 10.8600.92836.9940.0060.0060.0000.0000.0000.000
464A478GLY 00.0290.04238.915-0.001-0.0010.0000.0000.0000.000
465A479VAL 0-0.020-0.01140.960-0.002-0.0020.0000.0000.0000.000
466A480ILE 0-0.0140.01938.4780.0010.0010.0000.0000.0000.000
467A481THR 0-0.0080.00640.995-0.001-0.0010.0000.0000.0000.000
468A482HIS 00.0430.00338.8650.0000.0000.0000.0000.0000.000
469A483ASP -1-0.792-0.85639.8470.0030.0030.0000.0000.0000.000
470A484VAL 00.0310.01640.317-0.001-0.0010.0000.0000.0000.000
471A485SER 0-0.035-0.02238.505-0.002-0.0020.0000.0000.0000.000
472A486SER 0-0.0130.02935.131-0.002-0.0020.0000.0000.0000.000
473A487ALA 00.0300.01535.8520.0020.0020.0000.0000.0000.000
474A488ILE 0-0.036-0.02536.1360.0030.0030.0000.0000.0000.000
475A489ASN 0-0.011-0.03736.6440.0000.0000.0000.0000.0000.000
476A490ARG 10.9530.96737.850-0.014-0.0140.0000.0000.0000.000
477A491PRO 00.0000.00739.9440.0030.0030.0000.0000.0000.000
478A492GLN 00.0560.02534.4450.0040.0040.0000.0000.0000.000
479A493ILE 0-0.024-0.00235.2820.0040.0040.0000.0000.0000.000
480A494GLY 0-0.025-0.01536.8470.0040.0040.0000.0000.0000.000
481A495VAL 00.0590.03435.7940.0030.0030.0000.0000.0000.000
482A496VAL 0-0.0100.00032.7230.0040.0040.0000.0000.0000.000
483A497ARG 10.8900.93635.202-0.031-0.0310.0000.0000.0000.000
484A498GLU -1-0.785-0.86337.8500.0430.0430.0000.0000.0000.000
485A499PHE 00.0300.01830.8480.0020.0020.0000.0000.0000.000
486A500LEU 00.003-0.00731.9960.0050.0050.0000.0000.0000.000
487A501THR 0-0.077-0.03035.4860.0030.0030.0000.0000.0000.000
488A502ARG 10.8730.92037.828-0.045-0.0450.0000.0000.0000.000
489A503ASN 0-0.0400.01132.5890.0080.0080.0000.0000.0000.000
490A504PRO 00.0760.03633.1780.0050.0050.0000.0000.0000.000
491A505ALA 00.0110.01129.6260.0040.0040.0000.0000.0000.000
492A506TRP 0-0.002-0.01026.6640.0120.0120.0000.0000.0000.000
493A507ARG 10.9360.96930.024-0.094-0.0940.0000.0000.0000.000
494A508LYS 10.8620.93523.606-0.202-0.2020.0000.0000.0000.000
495A509ALA 0-0.0160.00425.9560.0130.0130.0000.0000.0000.000
496A510VAL 0-0.016-0.00423.362-0.007-0.0070.0000.0000.0000.000
497A511PHE 0-0.003-0.00425.973-0.002-0.0020.0000.0000.0000.000
498A512ILE 0-0.024-0.03122.310-0.003-0.0030.0000.0000.0000.000
499A513SER 0-0.003-0.02026.565-0.004-0.0040.0000.0000.0000.000
500A514PRO 0-0.008-0.00527.752-0.002-0.0020.0000.0000.0000.000
501A515TYR 00.0350.03228.749-0.008-0.0080.0000.0000.0000.000
502A516ASN 0-0.007-0.01130.6720.0010.0010.0000.0000.0000.000
503A517SER 00.002-0.01232.4640.0040.0040.0000.0000.0000.000
504A518GLN 00.0570.03333.0200.0010.0010.0000.0000.0000.000
505A519ASN 0-0.0090.00128.3430.0040.0040.0000.0000.0000.000
506A520ALA 00.0050.01732.6980.0050.0050.0000.0000.0000.000
507A521VAL 0-0.016-0.01435.8030.0030.0030.0000.0000.0000.000
508A522ALA 0-0.002-0.00733.4190.0020.0020.0000.0000.0000.000
509A523SER 0-0.0010.01533.5870.0040.0040.0000.0000.0000.000
510A524LYS 10.9110.95534.979-0.037-0.0370.0000.0000.0000.000
511A525ILE 0-0.053-0.03238.5660.0010.0010.0000.0000.0000.000
512A526LEU 0-0.039-0.01633.3730.0010.0010.0000.0000.0000.000
513A527GLY 0-0.0130.01335.4600.0040.0040.0000.0000.0000.000
514A528LEU 0-0.037-0.00429.9700.0040.0040.0000.0000.0000.000
515A529PRO 00.0030.00327.201-0.007-0.0070.0000.0000.0000.000
516A530THR 00.0290.00728.470-0.003-0.0030.0000.0000.0000.000
517A531GLN 00.0280.05422.715-0.010-0.0100.0000.0000.0000.000
518A532THR 00.0050.03125.934-0.005-0.0050.0000.0000.0000.000
519A533VAL 00.0390.00822.0500.0060.0060.0000.0000.0000.000
520A534ASP -1-0.743-0.80321.652-0.047-0.0470.0000.0000.0000.000
521A535SER 0-0.001-0.00521.546-0.010-0.0100.0000.0000.0000.000
522A536SER 0-0.038-0.02320.6510.0150.0150.0000.0000.0000.000
523A537GLN 00.0430.03316.0950.0160.0160.0000.0000.0000.000
524A538GLY 00.0270.02613.737-0.004-0.0040.0000.0000.0000.000
525A539SER 0-0.027-0.00713.9480.0650.0650.0000.0000.0000.000
526A540GLU -1-0.819-0.88712.4250.5420.5420.0000.0000.0000.000
527A541TYR 00.034-0.00416.492-0.006-0.0060.0000.0000.0000.000
528A542ASP -1-0.805-0.86519.4450.2850.2850.0000.0000.0000.000
529A543TYR 0-0.013-0.02320.9150.0010.0010.0000.0000.0000.000
530A544VAL 00.0030.00220.944-0.003-0.0030.0000.0000.0000.000
531A545ILE 00.0260.00824.176-0.004-0.0040.0000.0000.0000.000
532A546PHE 00.0480.01025.431-0.005-0.0050.0000.0000.0000.000
533A547THR 00.0090.02527.543-0.002-0.0020.0000.0000.0000.000
534A548GLN 00.1020.03029.3850.0010.0010.0000.0000.0000.000
535A549THR 0-0.064-0.02630.795-0.005-0.0050.0000.0000.0000.000
536A550THR 00.0460.02533.5770.0000.0000.0000.0000.0000.000
537A551GLU -1-0.770-0.80633.428-0.011-0.0110.0000.0000.0000.000
538A552THR 00.0010.00533.838-0.002-0.0020.0000.0000.0000.000
539A553ALA 00.0750.02032.222-0.001-0.0010.0000.0000.0000.000
540A554HIS 0-0.0060.00628.255-0.013-0.0130.0000.0000.0000.000
541A555SER 0-0.013-0.03328.329-0.004-0.0040.0000.0000.0000.000
542A556CYS 00.0100.03128.4660.0060.0060.0000.0000.0000.000
543A557ASN 00.0420.05424.381-0.009-0.0090.0000.0000.0000.000
544A558VAL 00.0620.01922.5940.0070.0070.0000.0000.0000.000
545A559ASN 0-0.0020.01119.8900.0080.0080.0000.0000.0000.000
546A560ARG 10.8000.87220.1130.0600.0600.0000.0000.0000.000
547A561PHE 00.027-0.00122.0250.0160.0160.0000.0000.0000.000
548A562ASN 00.028-0.01215.6360.0420.0420.0000.0000.0000.000
549A563VAL 0-0.0210.02317.1190.0200.0200.0000.0000.0000.000
550A564ALA 0-0.019-0.00618.5840.0290.0290.0000.0000.0000.000
551A565ILE 00.019-0.00319.5580.0240.0240.0000.0000.0000.000
552A566THR 0-0.035-0.03714.7470.0240.0240.0000.0000.0000.000
553A567ARG 10.8210.90114.3850.0010.0010.0000.0000.0000.000
554A568ALA 00.0340.02317.5810.0360.0360.0000.0000.0000.000
555A569LYS 10.8380.91215.675-0.346-0.3460.0000.0000.0000.000
556A570VAL 0-0.033-0.01817.4760.0210.0210.0000.0000.0000.000
557A571GLY 00.0690.03820.831-0.012-0.0120.0000.0000.0000.000
558A572ILE 0-0.024-0.01621.9870.0030.0030.0000.0000.0000.000
559A573LEU 00.0120.03124.463-0.004-0.0040.0000.0000.0000.000
560A574CYS 0-0.053-0.01625.937-0.001-0.0010.0000.0000.0000.000
561A575ILE 0-0.0040.00628.521-0.003-0.0030.0000.0000.0000.000
562A576MET 0-0.045-0.01628.432-0.001-0.0010.0000.0000.0000.000
563A577SER 00.028-0.01532.1960.0020.0020.0000.0000.0000.000
564A578ASP -1-0.768-0.86231.199-0.029-0.0290.0000.0000.0000.000
565A579ARG 10.8420.93232.4650.0030.0030.0000.0000.0000.000
566A580ASP -1-0.725-0.81930.248-0.042-0.0420.0000.0000.0000.000
567A581LEU 0-0.005-0.01525.9400.0010.0010.0000.0000.0000.000
568A582TYR 0-0.037-0.01928.0540.0040.0040.0000.0000.0000.000
569A583ASP -1-0.796-0.88229.9010.0030.0030.0000.0000.0000.000
570A584LYS 10.8330.92125.9060.0540.0540.0000.0000.0000.000
571A585LEU 0-0.0170.01624.4960.0010.0010.0000.0000.0000.000
572A586GLN 0-0.041-0.00322.8350.0150.0150.0000.0000.0000.000
573A587PHE 0-0.003-0.03322.3260.0140.0140.0000.0000.0000.000
574A588THR 00.0310.01327.003-0.009-0.0090.0000.0000.0000.000
575A589SER 00.001-0.01230.2030.0000.0000.0000.0000.0000.000
576A590LEU 0-0.025-0.00632.5350.0030.0030.0000.0000.0000.000
577A591GLU -1-0.937-0.96635.2710.0250.0250.0000.0000.0000.000
578A592ILE -1-0.969-0.98238.7420.0310.0310.0000.0000.0000.000
579A801HOH 0-0.019-0.03024.399-0.002-0.0020.0000.0000.0000.000
580A803HOH 0-0.028-0.02616.1110.0170.0170.0000.0000.0000.000
581A804HOH 0-0.024-0.02037.4070.0000.0000.0000.0000.0000.000
582A805HOH 0-0.003-0.01022.7510.0040.0040.0000.0000.0000.000
583A806HOH 0-0.021-0.01921.290-0.012-0.0120.0000.0000.0000.000
584A807HOH 0-0.008-0.01412.9910.0000.0000.0000.0000.0000.000
585A808HOH 0-0.032-0.03412.4660.0220.0220.0000.0000.0000.000
586A809HOH 0-0.046-0.05726.3090.0010.0010.0000.0000.0000.000
587A810HOH 0-0.013-0.04926.0810.0030.0030.0000.0000.0000.000
588A811HOH 0-0.039-0.04230.448-0.002-0.0020.0000.0000.0000.000
589A812HOH 0-0.032-0.0296.427-0.124-0.1240.0000.0000.0000.000
590A813HOH 0-0.037-0.03320.230-0.006-0.0060.0000.0000.0000.000
591A814HOH 00.0060.01446.2260.0000.0000.0000.0000.0000.000
592A815HOH 0-0.045-0.04026.060-0.002-0.0020.0000.0000.0000.000
593A816HOH 0-0.027-0.01929.643-0.001-0.0010.0000.0000.0000.000
594A817HOH 0-0.009-0.01114.4880.0290.0290.0000.0000.0000.000
595A818HOH 0-0.018-0.03132.2000.0020.0020.0000.0000.0000.000
596A819HOH 0-0.006-0.02721.5630.0090.0090.0000.0000.0000.000
597A820HOH 0-0.037-0.03212.481-0.022-0.0220.0000.0000.0000.000
598A821HOH 0-0.028-0.03238.734-0.001-0.0010.0000.0000.0000.000
599A822HOH 0-0.034-0.04015.9890.0230.0230.0000.0000.0000.000
600A823HOH 0-0.028-0.03756.395-0.001-0.0010.0000.0000.0000.000
601A824HOH 0-0.019-0.01638.1200.0010.0010.0000.0000.0000.000
602A825HOH 0-0.021-0.02439.8310.0000.0000.0000.0000.0000.000
603A826HOH 00.008-0.00913.696-0.027-0.0270.0000.0000.0000.000
604A827HOH 0-0.012-0.01144.1660.0010.0010.0000.0000.0000.000
605A828HOH 0-0.035-0.03742.7670.0000.0000.0000.0000.0000.000
606A829HOH 00.000-0.00520.382-0.012-0.0120.0000.0000.0000.000
607A830HOH 0-0.043-0.03510.8630.0020.0020.0000.0000.0000.000
608A831HOH 0-0.007-0.02527.7780.0040.0040.0000.0000.0000.000
609A832HOH 0-0.002-0.0084.451-0.156-0.1320.000-0.008-0.0160.000
610A833HOH 0-0.006-0.00429.405-0.003-0.0030.0000.0000.0000.000
611A834HOH 0-0.035-0.05131.197-0.001-0.0010.0000.0000.0000.000
612A835HOH 00.012-0.01020.6510.0020.0020.0000.0000.0000.000
613A836HOH 0-0.025-0.01942.2960.0010.0010.0000.0000.0000.000
614A837HOH 0-0.029-0.00732.395-0.001-0.0010.0000.0000.0000.000
615A838HOH 0-0.016-0.02332.306-0.001-0.0010.0000.0000.0000.000
616A839HOH 0-0.030-0.03225.5920.0030.0030.0000.0000.0000.000
617A840HOH 0-0.019-0.0386.318-0.056-0.0560.0000.0000.0000.000
618A841HOH 00.003-0.01240.7250.0020.0020.0000.0000.0000.000
619A842HOH 0-0.006-0.01918.917-0.001-0.0010.0000.0000.0000.000
620A843HOH 0-0.033-0.03424.4190.0010.0010.0000.0000.0000.000
621A844HOH 0-0.023-0.02724.1100.0040.0040.0000.0000.0000.000
622A845HOH 0-0.016-0.01015.275-0.032-0.0320.0000.0000.0000.000
623A846HOH 00.0220.00724.9730.0050.0050.0000.0000.0000.000
624A847HOH 00.0010.00227.163-0.001-0.0010.0000.0000.0000.000
625A848HOH 0-0.023-0.01318.3860.0130.0130.0000.0000.0000.000
626A849HOH 0-0.040-0.0359.139-0.029-0.0290.0000.0000.0000.000
627A850HOH 0-0.013-0.03042.4190.0000.0000.0000.0000.0000.000
628A851HOH 0-0.035-0.03235.047-0.001-0.0010.0000.0000.0000.000
629A852HOH 0-0.008-0.00624.6320.0020.0020.0000.0000.0000.000
630A853HOH 00.002-0.00223.3590.0060.0060.0000.0000.0000.000
631A854HOH 00.0180.00542.1370.0000.0000.0000.0000.0000.000
632A855HOH 0-0.006-0.00732.101-0.001-0.0010.0000.0000.0000.000
633A856HOH 0-0.017-0.00943.482-0.001-0.0010.0000.0000.0000.000
634A857HOH 0-0.008-0.02140.2050.0010.0010.0000.0000.0000.000
635A859HOH 0-0.008-0.01941.5970.0000.0000.0000.0000.0000.000
636A860HOH 0-0.004-0.00840.289-0.001-0.0010.0000.0000.0000.000
637A861HOH 0-0.039-0.02835.3980.0020.0020.0000.0000.0000.000
638A862HOH 00.0460.02510.6830.0260.0260.0000.0000.0000.000
639A863HOH 0-0.024-0.0328.302-0.138-0.1380.0000.0000.0000.000
640A864HOH 0-0.037-0.02828.907-0.004-0.0040.0000.0000.0000.000
641A865HOH 00.0340.00524.4010.0040.0040.0000.0000.0000.000
642A866HOH 00.0110.00127.839-0.002-0.0020.0000.0000.0000.000
643A867HOH 0-0.001-0.01736.5080.0010.0010.0000.0000.0000.000
644A868HOH 00.0230.01836.1500.0010.0010.0000.0000.0000.000
645A869HOH 0-0.016-0.01241.567-0.001-0.0010.0000.0000.0000.000
646A870HOH 0-0.0020.00123.3260.0040.0040.0000.0000.0000.000
647A871HOH 0-0.001-0.01128.8600.0020.0020.0000.0000.0000.000
648A872HOH 0-0.019-0.01825.4150.0070.0070.0000.0000.0000.000
649A873HOH 0-0.013-0.01630.4950.0030.0030.0000.0000.0000.000
650A874HOH 00.0180.01035.583-0.001-0.0010.0000.0000.0000.000
651A875HOH 0-0.045-0.03213.154-0.016-0.0160.0000.0000.0000.000
652A876HOH 0-0.007-0.00840.207-0.001-0.0010.0000.0000.0000.000
653A877HOH 0-0.045-0.03438.4000.0010.0010.0000.0000.0000.000
654A878HOH 00.012-0.01216.6740.0190.0190.0000.0000.0000.000
655A879HOH 00.002-0.00711.7600.0580.0580.0000.0000.0000.000
656A880HOH 0-0.007-0.01511.081-0.001-0.0010.0000.0000.0000.000
657A881HOH 0-0.017-0.02272.2810.0000.0000.0000.0000.0000.000
658A882HOH 00.014-0.00242.1520.0000.0000.0000.0000.0000.000
659A883HOH 00.001-0.01540.9910.0010.0010.0000.0000.0000.000
660A884HOH 00.001-0.00618.2010.0000.0000.0000.0000.0000.000
661A885HOH 00.005-0.00552.7890.0000.0000.0000.0000.0000.000
662A886HOH 0-0.030-0.02118.0240.0120.0120.0000.0000.0000.000
663A887HOH 0-0.014-0.02023.9990.0000.0000.0000.0000.0000.000
664A888HOH 00.008-0.00531.5080.0030.0030.0000.0000.0000.000
665A889HOH 0-0.015-0.00824.7470.0030.0030.0000.0000.0000.000
666A890HOH 00.000-0.00916.865-0.007-0.0070.0000.0000.0000.000
667A891HOH 00.009-0.00135.976-0.001-0.0010.0000.0000.0000.000
668A892HOH 0-0.012-0.02533.0860.0020.0020.0000.0000.0000.000
669A893HOH 00.0160.0047.832-0.126-0.1260.0000.0000.0000.000
670A894HOH 0-0.018-0.01520.875-0.011-0.0110.0000.0000.0000.000
671A895HOH 00.0450.03028.107-0.003-0.0030.0000.0000.0000.000
672A896HOH 00.0490.02624.3080.0000.0000.0000.0000.0000.000
673A897HOH 0-0.027-0.02611.1170.0270.0270.0000.0000.0000.000
674A898HOH 0-0.004-0.00641.311-0.001-0.0010.0000.0000.0000.000
675A899HOH 00.010-0.00129.0080.0050.0050.0000.0000.0000.000
676A900HOH 0-0.034-0.03031.675-0.001-0.0010.0000.0000.0000.000
677A901HOH 0-0.036-0.02623.5760.0090.0090.0000.0000.0000.000
678A902HOH 0-0.049-0.04015.5770.0260.0260.0000.0000.0000.000
679A903HOH 0-0.004-0.01223.8150.0050.0050.0000.0000.0000.000
680A904HOH 0-0.016-0.03316.861-0.014-0.0140.0000.0000.0000.000
681A905HOH 0-0.059-0.04527.921-0.002-0.0020.0000.0000.0000.000
682A906HOH 0-0.006-0.00324.0940.0000.0000.0000.0000.0000.000
683A907HOH 0-0.025-0.02924.3090.0050.0050.0000.0000.0000.000
684A908HOH 00.001-0.00130.5640.0010.0010.0000.0000.0000.000
685A909HOH 00.0310.01916.7810.0020.0020.0000.0000.0000.000
686A910HOH 00.0180.00534.743-0.002-0.0020.0000.0000.0000.000
687A911HOH 0-0.004-0.03125.143-0.002-0.0020.0000.0000.0000.000
688A912HOH 0-0.009-0.00517.048-0.015-0.0150.0000.0000.0000.000
689A913HOH 00.005-0.00736.285-0.002-0.0020.0000.0000.0000.000
690A914HOH 0-0.051-0.03521.3040.0040.0040.0000.0000.0000.000
691A915HOH 0-0.001-0.01128.412-0.001-0.0010.0000.0000.0000.000
692A916HOH 00.0090.00342.8130.0010.0010.0000.0000.0000.000
693A917HOH 0-0.016-0.01927.3130.0030.0030.0000.0000.0000.000
694A918HOH 0-0.052-0.03710.2570.0550.0550.0000.0000.0000.000
695A919HOH 00.022-0.00138.433-0.001-0.0010.0000.0000.0000.000
696A920HOH 00.0380.02360.1030.0000.0000.0000.0000.0000.000
697A921HOH 00.005-0.00426.7300.0060.0060.0000.0000.0000.000
698A922HOH 0-0.006-0.00313.614-0.001-0.0010.0000.0000.0000.000
699A923HOH 0-0.008-0.00118.812-0.003-0.0030.0000.0000.0000.000
700A924HOH 00.002-0.00726.520-0.004-0.0040.0000.0000.0000.000
702A926HOH 0-0.038-0.02922.009-0.005-0.0050.0000.0000.0000.000
703A927HOH 0-0.011-0.01635.5550.0000.0000.0000.0000.0000.000
704A928HOH 00.012-0.02038.5700.0000.0000.0000.0000.0000.000
705A930HOH 00.0070.00110.9200.0560.0560.0000.0000.0000.000
706A931HOH 0-0.047-0.03529.0460.0020.0020.0000.0000.0000.000
707A932HOH 0-0.001-0.0106.1300.0080.0080.0000.0000.0000.000
708A933HOH 0-0.011-0.00818.904-0.006-0.0060.0000.0000.0000.000
709A934HOH 00.0330.02338.323-0.001-0.0010.0000.0000.0000.000
710A935HOH 0-0.047-0.03724.849-0.001-0.0010.0000.0000.0000.000
711A936HOH 0-0.031-0.04435.843-0.001-0.0010.0000.0000.0000.000
712A937HOH 00.0250.01548.3010.0000.0000.0000.0000.0000.000
713A938HOH 0-0.009-0.01023.5300.0090.0090.0000.0000.0000.000
714A939HOH 0-0.035-0.02915.0260.0130.0130.0000.0000.0000.000
715A940HOH 0-0.030-0.01843.3190.0010.0010.0000.0000.0000.000
716A941HOH 0-0.020-0.02234.8130.0010.0010.0000.0000.0000.000
717A942HOH 00.002-0.00431.185-0.003-0.0030.0000.0000.0000.000
718A943HOH 0-0.033-0.02839.3960.0020.0020.0000.0000.0000.000
719A944HOH 0-0.019-0.02324.8320.0030.0030.0000.0000.0000.000
720A945HOH 00.010-0.00434.047-0.001-0.0010.0000.0000.0000.000
721A946HOH 0-0.009-0.02320.093-0.011-0.0110.0000.0000.0000.000
722A947HOH 00.0240.00628.598-0.004-0.0040.0000.0000.0000.000
723A948HOH 0-0.043-0.04412.641-0.016-0.0160.0000.0000.0000.000
724A949HOH 00.011-0.00126.9000.0010.0010.0000.0000.0000.000
725A950HOH 0-0.035-0.02345.3460.0010.0010.0000.0000.0000.000
726A951HOH 0-0.030-0.04123.909-0.007-0.0070.0000.0000.0000.000
727A952HOH 00.004-0.00732.1810.0000.0000.0000.0000.0000.000
728A953HOH 00.0200.01428.026-0.005-0.0050.0000.0000.0000.000
729A954HOH 0-0.028-0.01831.955-0.002-0.0020.0000.0000.0000.000
730A955HOH 00.001-0.00338.139-0.002-0.0020.0000.0000.0000.000
731A956HOH 0-0.021-0.01930.040-0.002-0.0020.0000.0000.0000.000
732A957HOH 0-0.029-0.02428.146-0.003-0.0030.0000.0000.0000.000
733A958HOH 0-0.026-0.02727.948-0.001-0.0010.0000.0000.0000.000
734A959HOH 00.0050.00143.9010.0000.0000.0000.0000.0000.000
735A960HOH 00.0110.00630.516-0.002-0.0020.0000.0000.0000.000
736A961HOH 0-0.017-0.01328.4100.0020.0020.0000.0000.0000.000
737A962HOH 00.0200.01024.0610.0060.0060.0000.0000.0000.000
738A963HOH 00.0140.00828.349-0.001-0.0010.0000.0000.0000.000
739A964HOH 00.0340.01166.1810.0000.0000.0000.0000.0000.000
740A965HOH 00.013-0.00438.0800.0010.0010.0000.0000.0000.000
741A966HOH 00.0090.00042.288-0.001-0.0010.0000.0000.0000.000
742A967HOH 00.0270.01337.8610.0000.0000.0000.0000.0000.000
743A968HOH 0-0.031-0.02122.5870.0020.0020.0000.0000.0000.000
744A969HOH 0-0.003-0.00740.608-0.001-0.0010.0000.0000.0000.000
745A970HOH 0-0.005-0.01829.315-0.004-0.0040.0000.0000.0000.000
746A971HOH 0-0.041-0.04412.320-0.023-0.0230.0000.0000.0000.000
747A972HOH 0-0.002-0.00438.9270.0010.0010.0000.0000.0000.000
748A973HOH 0-0.004-0.00917.616-0.006-0.0060.0000.0000.0000.000
749A974HOH 0-0.013-0.01719.3280.0120.0120.0000.0000.0000.000
750A975HOH 0-0.038-0.02528.287-0.004-0.0040.0000.0000.0000.000
751A976HOH 0-0.032-0.02937.4260.0000.0000.0000.0000.0000.000
752A977HOH 0-0.009-0.01575.2220.0000.0000.0000.0000.0000.000
753A978HOH 0-0.001-0.00719.070-0.005-0.0050.0000.0000.0000.000
754A979HOH 0-0.019-0.01624.1360.0050.0050.0000.0000.0000.000
755A980HOH 00.0360.02625.8500.0010.0010.0000.0000.0000.000
756A981HOH 0-0.004-0.01712.156-0.028-0.0280.0000.0000.0000.000
757A982HOH 00.004-0.00511.3740.0890.0890.0000.0000.0000.000
758A983HOH 0-0.027-0.0137.4970.0190.0190.0000.0000.0000.000
759A984HOH 0-0.002-0.00173.0860.0000.0000.0000.0000.0000.000
760A985HOH 0-0.025-0.02161.9590.0000.0000.0000.0000.0000.000
761A986HOH 00.0390.01929.791-0.001-0.0010.0000.0000.0000.000
762A987HOH 0-0.009-0.00924.170-0.006-0.0060.0000.0000.0000.000
763A988HOH 0-0.001-0.00217.6490.0130.0130.0000.0000.0000.000
764A989HOH 00.008-0.00535.6330.0020.0020.0000.0000.0000.000
765A990HOH 00.000-0.00715.543-0.021-0.0210.0000.0000.0000.000
766A991HOH 00.0180.00552.1630.0000.0000.0000.0000.0000.000
767A992HOH 0-0.026-0.02244.4580.0000.0000.0000.0000.0000.000
768A993HOH 0-0.015-0.01913.2580.0370.0370.0000.0000.0000.000
769A994HOH 0-0.020-0.01927.9590.0030.0030.0000.0000.0000.000
770A995HOH 00.002-0.00324.1440.0000.0000.0000.0000.0000.000
771A996HOH 0-0.003-0.00639.492-0.001-0.0010.0000.0000.0000.000
772A997HOH 0-0.016-0.01127.1220.0060.0060.0000.0000.0000.000
773A998HOH 0-0.006-0.01230.4480.0010.0010.0000.0000.0000.000
774A999HOH 0-0.036-0.02716.2190.0190.0190.0000.0000.0000.000
775A1000HOH 0-0.016-0.01929.078-0.002-0.0020.0000.0000.0000.000
776A1001HOH 0-0.008-0.00826.8560.0030.0030.0000.0000.0000.000
777A1002HOH 00.0440.02444.4170.0000.0000.0000.0000.0000.000
778A1003HOH 00.0110.00128.8370.0020.0020.0000.0000.0000.000
779A1004HOH 00.016-0.00224.322-0.004-0.0040.0000.0000.0000.000
780A701VWG 00.0690.0923.321-3.894-3.0590.917-0.537-1.2150.003