FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2025-10-17
All entries: 77277
Number of unique PDB entries: 32023
FMODB ID: PGYQ1
Calculation Name: 4DK2-A-Xray27
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4DK2
Chain ID: A
UniProt ID: Q57ZH3
Base Structure: X-ray
Registration Date: 2018-07-26
Reference:
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | Missing residues were capped by ACE, NME. Missing atoms were corrected by Structure prepareation by MOE. |
| Water | Apo structure with with a 3 angstrom solvent shell. |
| Procedure | Auto-FMO protocol ver. 1.20180227 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 404 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | MIZUHO/ABINIT-MP 3.0 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -3925286.602392 |
|---|---|
| FMO2-HF: Nuclear repulsion | 3811697.141717 |
| FMO2-HF: Total energy | -113589.460675 |
| FMO2-MP2: Total energy | -113917.032329 |
3D Structure
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:7:ACE)
Summations of interaction energy for
fragment #1(A:7:ACE)
| 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. |
| 1.864 | 2.795 | -0.011 | -0.361 | -0.559 | 0 |
Interaction energy analysis for fragmet #1(A:7:ACE)
| 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 | 9 | LEU | 0 | 0.011 | 0.034 | 3.859 | 0.846 | 1.679 | -0.010 | -0.348 | -0.476 | 0.000 |
| 4 | A | 10 | SER | 0 | 0.018 | -0.027 | 6.495 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 11 | PRO | 0 | 0.049 | 0.010 | 9.619 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 12 | LEU | 0 | 0.015 | 0.022 | 12.574 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 13 | ILE | 0 | 0.011 | 0.020 | 10.204 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 14 | LEU | 0 | 0.013 | 0.011 | 10.016 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 15 | ARG | 1 | 0.912 | 0.973 | 13.510 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 16 | SER | 0 | 0.013 | 0.023 | 16.416 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 17 | LEU | 0 | 0.019 | 0.024 | 13.000 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 18 | ALA | 0 | 0.026 | 0.018 | 17.189 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 19 | GLU | -1 | -0.824 | -0.920 | 19.316 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 20 | LEU | 0 | 0.001 | 0.026 | 18.858 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 21 | GLN | 0 | 0.104 | 0.071 | 20.896 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 22 | ASP | -1 | -0.753 | -0.872 | 22.741 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 23 | GLY | 0 | -0.003 | 0.008 | 25.081 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 24 | LEU | 0 | -0.038 | -0.008 | 23.831 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 25 | ASN | 0 | 0.026 | 0.005 | 25.494 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 26 | THR | 0 | -0.079 | -0.047 | 28.612 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 27 | VAL | 0 | -0.053 | -0.017 | 30.599 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 28 | VAL | 0 | -0.032 | 0.004 | 31.448 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 29 | ASP | -1 | -0.801 | -0.894 | 32.874 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 30 | LYS | 1 | 0.999 | 1.007 | 33.082 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 31 | ASN | 0 | -0.021 | -0.001 | 33.921 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 32 | TRP | 0 | 0.030 | 0.018 | 25.522 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 33 | ARG | 1 | 0.857 | 0.919 | 26.872 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 34 | GLN | 0 | -0.061 | -0.031 | 30.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 35 | LEU | 0 | -0.018 | -0.009 | 34.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 36 | ARG | 1 | 0.877 | 0.953 | 29.532 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 37 | ARG | 1 | 0.907 | 0.957 | 30.220 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 38 | PRO | 0 | 0.082 | 0.033 | 25.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 39 | GLY | 0 | 0.052 | 0.018 | 25.778 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 40 | ASP | -1 | -0.792 | -0.875 | 27.892 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 41 | TRP | 0 | 0.001 | -0.003 | 23.256 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 42 | SER | 0 | -0.016 | -0.024 | 23.026 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 43 | LEU | 0 | 0.008 | 0.008 | 24.108 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 44 | ALA | 0 | 0.008 | 0.008 | 25.017 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 45 | ILE | 0 | 0.027 | 0.005 | 19.113 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 46 | THR | 0 | -0.013 | 0.001 | 22.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 47 | MET | 0 | -0.039 | -0.026 | 23.851 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 48 | GLU | -1 | -0.736 | -0.865 | 21.992 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 49 | ALA | 0 | -0.016 | -0.010 | 20.230 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 50 | ALA | 0 | -0.031 | -0.016 | 21.683 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 51 | GLU | -1 | -0.921 | -0.947 | 25.103 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 52 | LEU | 0 | 0.015 | 0.021 | 19.018 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 53 | LEU | 0 | -0.054 | -0.020 | 21.322 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 54 | ASP | -1 | -0.858 | -0.903 | 23.724 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 55 | SER | 0 | -0.004 | 0.002 | 24.171 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 56 | TYR | 0 | -0.010 | -0.022 | 19.199 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 57 | PRO | 0 | -0.103 | -0.038 | 25.489 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 58 | TRP | 0 | 0.030 | 0.003 | 26.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 59 | LYS | 1 | 0.895 | 0.970 | 27.957 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 60 | TRP | 0 | 0.072 | 0.029 | 29.994 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 61 | TRP | 0 | -0.023 | -0.007 | 32.565 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 62 | LYS | 1 | 0.898 | 0.951 | 34.776 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 63 | ASN | 0 | 0.003 | 0.008 | 35.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 64 | VAL | 0 | -0.022 | -0.025 | 32.702 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 65 | LYS | 1 | 0.929 | 0.951 | 28.715 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 66 | ALA | 0 | -0.052 | -0.002 | 29.881 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 67 | GLN | 0 | -0.008 | -0.019 | 22.495 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 68 | PRO | 0 | 0.023 | 0.014 | 22.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 69 | ASP | -1 | -0.893 | -0.938 | 24.691 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 70 | LEU | 0 | 0.048 | 0.021 | 19.107 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 71 | GLN | 0 | -0.012 | -0.021 | 21.620 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 72 | ASN | 0 | 0.043 | 0.021 | 23.514 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 73 | VAL | 0 | 0.054 | 0.034 | 18.327 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 74 | LYS | 1 | 0.880 | 0.947 | 18.438 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 75 | ILE | 0 | -0.006 | 0.008 | 19.746 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 76 | GLU | -1 | -0.703 | -0.857 | 21.213 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 77 | LEU | 0 | -0.079 | -0.045 | 14.900 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 78 | THR | 0 | -0.061 | -0.048 | 17.453 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 79 | ASP | -1 | -0.817 | -0.903 | 19.175 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 80 | ILE | 0 | -0.035 | -0.026 | 16.934 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 81 | LEU | 0 | -0.003 | 0.015 | 14.432 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 82 | HIS | 0 | -0.021 | -0.009 | 17.526 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 83 | PHE | 0 | 0.021 | 0.014 | 20.957 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 84 | SER | 0 | 0.003 | -0.020 | 16.037 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 85 | LEU | 0 | -0.040 | -0.011 | 15.762 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 86 | SER | 0 | 0.004 | -0.012 | 19.058 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 87 | GLY | 0 | 0.024 | 0.010 | 21.797 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 88 | ALA | 0 | -0.035 | -0.004 | 18.150 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 89 | MET | 0 | -0.049 | -0.002 | 20.246 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 90 | GLN | 0 | -0.083 | -0.046 | 23.196 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 91 | VAL | 0 | 0.042 | 0.024 | 21.994 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 92 | SER | 0 | -0.011 | -0.012 | 22.637 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 93 | NME | 0 | 0.018 | 0.029 | 22.684 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 111 | ACE | 0 | -0.003 | -0.014 | 26.377 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 112 | LYS | 1 | 0.810 | 0.896 | 19.482 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 113 | HIS | 0 | 0.003 | 0.011 | 21.181 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 114 | TRP | 0 | 0.022 | 0.020 | 20.090 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 115 | CYS | 0 | -0.020 | 0.002 | 17.328 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 116 | TYR | 0 | -0.007 | -0.034 | 19.241 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 117 | PHE | 0 | 0.010 | -0.014 | 14.240 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 118 | ASP | -1 | -0.804 | -0.872 | 18.158 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 119 | GLN | 0 | -0.015 | -0.008 | 14.092 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 120 | PRO | 0 | -0.032 | -0.011 | 15.954 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 121 | ARG | 1 | 0.866 | 0.932 | 18.982 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 122 | ALA | 0 | 0.048 | 0.040 | 22.674 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 123 | LEU | 0 | -0.011 | -0.012 | 23.995 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 124 | PRO | 0 | -0.007 | -0.012 | 26.709 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 125 | ALA | 0 | 0.028 | 0.024 | 29.112 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 126 | ALA | 0 | 0.022 | -0.003 | 30.083 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 127 | GLY | 0 | 0.004 | 0.005 | 31.262 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 128 | GLY | 0 | 0.040 | 0.044 | 32.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 129 | ALA | 0 | -0.014 | 0.002 | 30.246 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 130 | GLU | -1 | -0.842 | -0.943 | 32.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 131 | TYR | 0 | -0.051 | -0.019 | 33.997 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 132 | VAL | 0 | -0.010 | 0.007 | 31.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 133 | ALA | 0 | -0.020 | 0.007 | 32.078 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 134 | CYS | 0 | -0.056 | -0.031 | 33.121 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 135 | VAL | 0 | -0.025 | -0.017 | 33.429 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 136 | GLU | -1 | -0.762 | -0.845 | 30.380 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 137 | THR | 0 | -0.057 | -0.053 | 30.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 138 | PRO | 0 | 0.004 | -0.016 | 30.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 139 | GLY | 0 | 0.025 | 0.010 | 26.647 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 140 | SER | 0 | -0.022 | -0.014 | 25.391 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 141 | SER | 0 | -0.019 | -0.020 | 24.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 142 | LEU | 0 | -0.111 | -0.031 | 21.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 143 | SER | 0 | 0.031 | 0.005 | 16.489 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 144 | ALA | 0 | 0.008 | 0.003 | 19.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 145 | PRO | 0 | -0.027 | -0.016 | 18.732 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 146 | VAL | 0 | 0.033 | 0.043 | 13.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 147 | SER | 0 | -0.011 | -0.033 | 17.272 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 148 | ALA | 0 | 0.050 | -0.006 | 15.819 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 149 | ASP | -1 | -0.928 | -0.940 | 15.033 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 150 | GLU | -1 | -0.910 | -0.951 | 13.565 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 151 | CYS | 0 | -0.073 | 0.001 | 11.921 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 152 | ASP | -1 | -0.768 | -0.869 | 6.380 | -1.153 | -1.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 153 | LEU | 0 | 0.003 | -0.035 | 4.528 | 0.221 | 0.300 | -0.001 | -0.009 | -0.069 | 0.000 |
| 131 | A | 154 | ALA | 0 | -0.049 | 0.007 | 6.207 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 155 | ASP | -1 | -0.802 | -0.853 | 7.740 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 156 | PHE | 0 | -0.035 | -0.012 | 10.386 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 157 | MET | 0 | -0.015 | 0.019 | 9.098 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 158 | PHE | 0 | 0.004 | -0.002 | 10.143 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 159 | PHE | 0 | -0.009 | 0.016 | 7.701 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 160 | PRO | 0 | 0.003 | 0.005 | 12.280 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 161 | LEU | 0 | -0.002 | -0.020 | 13.679 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 162 | SER | 0 | 0.012 | -0.006 | 16.326 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 163 | ASP | -1 | -0.794 | -0.858 | 18.310 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 164 | THR | 0 | 0.052 | 0.011 | 19.333 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 165 | ASN | 0 | -0.051 | -0.034 | 21.009 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 166 | ASN | 0 | 0.088 | 0.054 | 15.678 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 167 | ALA | 0 | 0.018 | 0.035 | 16.561 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 168 | LEU | 0 | -0.029 | -0.029 | 18.165 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 169 | ALA | 0 | 0.004 | 0.018 | 17.270 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 170 | SER | 0 | 0.040 | 0.004 | 14.256 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 171 | PHE | 0 | 0.025 | 0.000 | 15.645 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 172 | GLN | 0 | 0.015 | 0.010 | 18.194 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 173 | ASN | 0 | 0.000 | -0.008 | 14.988 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 174 | ILE | 0 | 0.019 | 0.018 | 13.916 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 175 | ILE | 0 | 0.018 | 0.018 | 16.983 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 176 | ARG | 1 | 0.819 | 0.919 | 18.864 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 177 | LEU | 0 | 0.034 | 0.017 | 13.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 178 | ALA | 0 | 0.002 | 0.004 | 18.252 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 179 | SER | 0 | -0.019 | -0.004 | 20.380 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 180 | LEU | 0 | -0.080 | -0.017 | 19.779 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 181 | GLN | 0 | -0.035 | -0.027 | 21.568 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 182 | ARG | 1 | 0.904 | 0.970 | 16.171 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 183 | PHE | 0 | 0.009 | -0.005 | 16.116 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 184 | GLN | 0 | 0.038 | 0.024 | 13.216 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 185 | LEU | 0 | 0.032 | 0.024 | 10.421 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 186 | VAL | 0 | 0.013 | 0.009 | 11.539 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 187 | THR | 0 | 0.001 | -0.011 | 12.081 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 188 | SER | 0 | 0.008 | -0.010 | 7.632 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 189 | ALA | 0 | 0.039 | 0.025 | 8.415 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 190 | VAL | 0 | 0.014 | -0.008 | 10.185 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 191 | ILE | 0 | -0.020 | -0.005 | 8.423 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 192 | ALA | 0 | 0.036 | 0.026 | 6.448 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 193 | ALA | 0 | 0.020 | 0.011 | 8.065 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 194 | ALA | 0 | -0.027 | -0.010 | 11.497 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 195 | ASP | -1 | -0.795 | -0.886 | 8.224 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 196 | ASP | -1 | -0.739 | -0.849 | 10.652 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 197 | ILE | 0 | -0.070 | -0.032 | 11.754 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 198 | GLY | 0 | -0.018 | -0.004 | 13.932 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 199 | PHE | 0 | -0.102 | -0.048 | 14.469 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 200 | ASN | 0 | 0.041 | 0.017 | 13.067 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 201 | LEU | 0 | 0.025 | 0.008 | 13.162 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 202 | VAL | 0 | 0.016 | 0.003 | 11.118 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 203 | ALA | 0 | 0.019 | 0.001 | 14.137 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 204 | TYR | 0 | 0.011 | 0.008 | 16.721 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 205 | TYR | 0 | -0.014 | -0.012 | 17.129 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 206 | VAL | 0 | 0.030 | 0.012 | 17.553 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 207 | ALA | 0 | 0.023 | 0.005 | 20.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 208 | LYS | 1 | 0.948 | 0.982 | 22.124 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 209 | HIS | 0 | 0.040 | 0.036 | 22.323 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 210 | THR | 0 | 0.017 | 0.005 | 24.120 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 211 | LEU | 0 | -0.016 | -0.003 | 26.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 212 | ASN | 0 | -0.042 | -0.019 | 27.274 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 213 | GLY | 0 | 0.056 | 0.038 | 28.896 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 214 | ILE | 0 | 0.033 | 0.016 | 30.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 215 | ARG | 1 | 0.953 | 0.981 | 31.441 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 216 | GLN | 0 | -0.011 | 0.027 | 32.595 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 217 | MET | 0 | -0.049 | 0.005 | 33.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 218 | LYS | 1 | 0.849 | 0.899 | 37.514 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 219 | GLY | 0 | -0.010 | -0.009 | 40.547 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 220 | TYR | 0 | -0.030 | -0.029 | 35.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 221 | LYS | 1 | 0.881 | 0.926 | 38.684 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 222 | ASP | -1 | -0.756 | -0.831 | 40.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 223 | GLY | 0 | 0.033 | 0.045 | 42.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 224 | THR | 0 | -0.033 | -0.018 | 42.721 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 225 | TYR | 0 | -0.084 | -0.033 | 37.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 226 | VAL | 0 | 0.011 | 0.013 | 38.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 227 | LYS | 1 | 0.886 | 0.941 | 34.015 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 228 | VAL | 0 | 0.014 | 0.010 | 32.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 229 | GLN | 0 | -0.011 | 0.001 | 34.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 230 | LYS | 1 | 0.873 | 0.920 | 36.485 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 231 | GLY | 0 | 0.014 | -0.005 | 38.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 232 | VAL | 0 | 0.002 | 0.032 | 32.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 233 | GLU | -1 | -0.810 | -0.901 | 32.087 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 234 | ASP | -1 | -0.788 | -0.902 | 30.171 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 235 | ASN | 0 | 0.019 | -0.018 | 26.145 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 236 | GLU | -1 | -0.903 | -0.934 | 26.402 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 237 | LEU | 0 | -0.011 | -0.010 | 27.689 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 238 | LEU | 0 | 0.001 | -0.007 | 24.146 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 239 | HIS | 0 | 0.002 | 0.016 | 21.851 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 240 | GLY | 0 | 0.039 | 0.016 | 23.241 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 241 | CYS | 0 | -0.100 | -0.046 | 24.347 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 242 | ILE | 0 | 0.011 | -0.012 | 18.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 243 | SER | 0 | 0.001 | 0.033 | 19.121 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 244 | PRO | 0 | -0.037 | -0.003 | 19.749 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 245 | PHE | 0 | -0.071 | -0.004 | 15.981 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 246 | SER | 0 | 0.069 | 0.051 | 12.296 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 247 | LEU | 0 | 0.044 | 0.002 | 7.170 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 248 | ASP | -1 | -0.879 | -0.915 | 7.135 | 0.954 | 0.954 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 249 | ASP | -1 | -0.810 | -0.883 | 9.475 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 250 | VAL | 0 | -0.061 | -0.021 | 12.263 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 251 | THR | 0 | -0.009 | -0.016 | 8.535 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 252 | ASN | 0 | 0.041 | 0.021 | 9.497 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 253 | GLU | -1 | -0.853 | -0.911 | 10.901 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 254 | GLY | 0 | -0.018 | 0.000 | 12.636 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 255 | ASN | 0 | -0.002 | -0.008 | 15.160 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 256 | TYR | 0 | 0.038 | 0.038 | 13.661 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 257 | LYS | 1 | 0.924 | 0.959 | 15.690 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 258 | THR | 0 | -0.034 | -0.031 | 19.119 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 259 | LYS | 1 | 0.887 | 0.938 | 16.406 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 260 | TRP | 0 | -0.019 | -0.029 | 13.896 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 261 | ASP | -1 | -0.808 | -0.925 | 19.528 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 262 | ASP | -1 | -0.784 | -0.868 | 21.678 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 263 | ILE | 0 | -0.024 | -0.001 | 17.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 264 | MET | 0 | -0.041 | -0.016 | 22.411 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 265 | HIS | 0 | 0.045 | 0.041 | 24.980 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 266 | ARG | 1 | 0.868 | 0.930 | 23.477 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 267 | VAL | 0 | 0.027 | 0.020 | 24.867 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 268 | TYR | 0 | -0.031 | -0.051 | 27.636 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 269 | ASP | -1 | -0.780 | -0.853 | 30.312 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 270 | ALA | 0 | -0.025 | 0.001 | 29.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 271 | PHE | 0 | -0.028 | -0.024 | 28.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 272 | GLY | 0 | 0.052 | 0.058 | 33.390 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 273 | THR | 0 | 0.014 | 0.011 | 33.204 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 274 | PRO | 0 | 0.020 | 0.023 | 35.583 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 275 | LYS | 1 | 0.977 | 0.973 | 35.612 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 276 | GLU | -1 | -0.916 | -0.967 | 35.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 277 | GLU | -1 | -0.915 | -0.952 | 36.431 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 278 | ARG | 1 | 0.754 | 0.903 | 31.466 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 279 | LEU | 0 | 0.003 | 0.015 | 29.341 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 280 | ASN | 0 | 0.036 | 0.012 | 26.929 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 281 | ILE | 0 | 0.048 | 0.010 | 20.922 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 282 | GLY | 0 | -0.038 | -0.026 | 24.544 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 283 | HIS | 0 | -0.069 | -0.023 | 26.158 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 284 | TRP | 0 | 0.002 | 0.008 | 24.166 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 285 | LEU | 0 | -0.055 | -0.016 | 19.971 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 286 | LYS | 1 | 0.873 | 0.932 | 23.415 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 287 | NME | 0 | 0.010 | 0.015 | 22.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 301 | HOH | 0 | -0.016 | -0.018 | 13.856 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 302 | HOH | 0 | 0.013 | 0.006 | 7.151 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 303 | HOH | 0 | -0.048 | -0.027 | 25.283 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 304 | HOH | 0 | -0.023 | -0.024 | 27.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 305 | HOH | 0 | -0.045 | -0.040 | 9.870 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 306 | HOH | 0 | 0.020 | 0.011 | 8.828 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 307 | HOH | 0 | -0.036 | -0.026 | 21.729 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 308 | HOH | 0 | -0.006 | -0.009 | 10.686 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 310 | HOH | 0 | -0.021 | -0.018 | 29.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 311 | HOH | 0 | -0.019 | -0.014 | 19.460 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 312 | HOH | 0 | 0.008 | 0.007 | 23.597 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 313 | HOH | 0 | 0.002 | -0.002 | 16.184 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 314 | HOH | 0 | 0.031 | 0.022 | 17.473 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 315 | HOH | 0 | -0.026 | -0.015 | 37.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 316 | HOH | 0 | -0.062 | -0.042 | 28.952 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 318 | HOH | 0 | 0.010 | -0.004 | 22.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 319 | HOH | 0 | -0.027 | -0.027 | 15.291 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 321 | HOH | 0 | -0.030 | -0.023 | 27.069 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 322 | HOH | 0 | -0.008 | -0.006 | 6.386 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 323 | HOH | 0 | -0.011 | -0.005 | 38.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 324 | HOH | 0 | 0.006 | 0.000 | 15.884 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 325 | HOH | 0 | -0.042 | -0.023 | 19.679 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 326 | HOH | 0 | -0.019 | -0.016 | 5.625 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 327 | HOH | 0 | -0.018 | -0.006 | 33.873 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 328 | HOH | 0 | -0.020 | -0.026 | 16.636 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 329 | HOH | 0 | -0.035 | -0.018 | 23.254 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 330 | HOH | 0 | 0.032 | 0.022 | 30.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 331 | HOH | 0 | -0.028 | -0.029 | 29.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 332 | HOH | 0 | -0.011 | -0.008 | 18.177 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 333 | HOH | 0 | -0.044 | -0.018 | 13.078 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 334 | HOH | 0 | 0.009 | 0.007 | 15.793 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 336 | HOH | 0 | -0.010 | -0.009 | 8.882 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 338 | HOH | 0 | 0.037 | 0.042 | 17.588 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 339 | HOH | 0 | -0.036 | -0.034 | 14.819 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 340 | HOH | 0 | -0.008 | -0.014 | 19.438 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 341 | HOH | 0 | -0.041 | -0.028 | 29.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 342 | HOH | 0 | -0.028 | -0.012 | 32.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 343 | HOH | 0 | -0.051 | -0.025 | 25.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 344 | HOH | 0 | -0.069 | -0.050 | 23.949 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 345 | HOH | 0 | -0.064 | -0.047 | 27.322 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 347 | HOH | 0 | -0.045 | -0.019 | 26.249 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 348 | HOH | 0 | 0.001 | -0.010 | 21.354 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 349 | HOH | 0 | 0.018 | 0.011 | 21.207 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 350 | HOH | 0 | -0.002 | -0.001 | 17.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 351 | HOH | 0 | 0.015 | 0.008 | 21.253 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 352 | HOH | 0 | -0.008 | -0.007 | 16.565 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 353 | HOH | 0 | 0.006 | -0.004 | 20.636 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 354 | HOH | 0 | -0.020 | -0.021 | 21.558 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 355 | HOH | 0 | -0.010 | -0.002 | 23.658 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 356 | HOH | 0 | -0.049 | -0.036 | 12.104 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 357 | HOH | 0 | -0.058 | -0.045 | 4.154 | -0.033 | -0.014 | 0.000 | -0.004 | -0.014 | 0.000 |
| 316 | A | 358 | HOH | 0 | 0.014 | 0.011 | 22.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 359 | HOH | 0 | -0.009 | -0.005 | 17.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 360 | HOH | 0 | -0.029 | -0.017 | 21.950 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 362 | HOH | 0 | 0.006 | 0.004 | 7.621 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 363 | HOH | 0 | -0.029 | -0.023 | 21.635 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 364 | HOH | 0 | -0.029 | -0.032 | 24.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 365 | HOH | 0 | 0.037 | 0.022 | 39.367 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 366 | HOH | 0 | 0.025 | 0.000 | 40.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 367 | HOH | 0 | -0.051 | -0.035 | 39.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 368 | HOH | 0 | 0.012 | 0.020 | 34.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 370 | HOH | 0 | -0.051 | -0.041 | 35.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 371 | HOH | 0 | -0.033 | -0.026 | 42.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 372 | HOH | 0 | -0.028 | -0.016 | 44.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 374 | HOH | 0 | -0.045 | -0.028 | 30.858 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 375 | HOH | 0 | -0.021 | -0.024 | 11.746 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 376 | HOH | 0 | 0.029 | 0.019 | 8.490 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 377 | HOH | 0 | -0.038 | -0.043 | 21.120 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 379 | HOH | 0 | 0.016 | 0.019 | 24.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 382 | HOH | 0 | 0.027 | 0.024 | 17.445 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 383 | HOH | 0 | 0.019 | -0.001 | 30.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 384 | HOH | 0 | -0.040 | -0.026 | 23.391 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 385 | HOH | 0 | -0.032 | -0.020 | 28.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 386 | HOH | 0 | -0.016 | -0.020 | 21.105 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 387 | HOH | 0 | -0.017 | -0.007 | 27.957 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 388 | HOH | 0 | -0.055 | -0.034 | 34.837 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 389 | HOH | 0 | -0.015 | -0.015 | 7.017 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 390 | HOH | 0 | -0.048 | -0.036 | 19.645 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 391 | HOH | 0 | 0.012 | 0.013 | 36.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 392 | HOH | 0 | -0.025 | -0.025 | 24.489 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 393 | HOH | 0 | 0.035 | 0.030 | 9.966 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 394 | HOH | 0 | -0.030 | -0.023 | 10.418 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 395 | HOH | 0 | -0.039 | -0.035 | 34.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 396 | HOH | 0 | -0.041 | -0.030 | 27.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 397 | HOH | 0 | -0.003 | -0.008 | 11.563 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 398 | HOH | 0 | -0.020 | -0.020 | 22.455 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 399 | HOH | 0 | -0.023 | -0.015 | 25.475 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 400 | HOH | 0 | -0.031 | -0.024 | 37.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 401 | HOH | 0 | 0.004 | -0.011 | 16.887 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 402 | HOH | 0 | -0.030 | -0.020 | 13.109 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 404 | HOH | 0 | -0.037 | -0.021 | 32.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 405 | HOH | 0 | -0.058 | -0.052 | 31.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 406 | HOH | 0 | -0.003 | -0.007 | 21.753 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 407 | HOH | 0 | 0.003 | 0.006 | 27.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 408 | HOH | 0 | 0.001 | 0.006 | 21.449 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 409 | HOH | 0 | -0.068 | -0.048 | 5.882 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 411 | HOH | 0 | -0.033 | -0.047 | 21.445 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 412 | HOH | 0 | 0.012 | 0.010 | 19.700 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 413 | HOH | 0 | -0.038 | -0.031 | 32.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 414 | HOH | 0 | -0.026 | -0.015 | 19.979 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 415 | HOH | 0 | -0.030 | -0.021 | 12.337 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 416 | HOH | 0 | -0.021 | -0.027 | 12.049 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 417 | HOH | 0 | -0.038 | -0.042 | 34.749 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 418 | HOH | 0 | -0.006 | -0.023 | 8.721 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 420 | HOH | 0 | 0.017 | 0.000 | 37.720 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 421 | HOH | 0 | -0.005 | 0.000 | 16.454 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 422 | HOH | 0 | -0.023 | -0.026 | 29.142 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 423 | HOH | 0 | -0.001 | -0.014 | 29.698 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 424 | HOH | 0 | -0.045 | -0.036 | 24.926 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 425 | HOH | 0 | -0.031 | -0.020 | 27.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 426 | HOH | 0 | -0.056 | -0.038 | 33.390 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 427 | HOH | 0 | -0.047 | -0.040 | 33.168 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 428 | HOH | 0 | -0.056 | -0.044 | 30.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 429 | HOH | 0 | 0.051 | 0.053 | 42.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 430 | HOH | 0 | -0.033 | -0.027 | 31.767 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 431 | HOH | 0 | 0.038 | 0.025 | 32.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 432 | HOH | 0 | -0.063 | -0.046 | 46.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 433 | HOH | 0 | -0.046 | -0.039 | 25.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 434 | HOH | 0 | -0.019 | -0.037 | 45.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 435 | HOH | 0 | -0.046 | -0.062 | 14.047 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 436 | HOH | 0 | 0.013 | 0.015 | 25.489 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 437 | HOH | 0 | 0.040 | 0.024 | 5.182 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 438 | HOH | 0 | 0.033 | 0.020 | 31.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 439 | HOH | 0 | -0.019 | -0.012 | 33.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 440 | HOH | 0 | 0.046 | 0.036 | 30.225 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 441 | HOH | 0 | -0.035 | -0.031 | 15.706 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 442 | HOH | 0 | 0.015 | 0.030 | 32.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 443 | HOH | 0 | 0.036 | 0.036 | 25.123 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 444 | HOH | 0 | -0.023 | -0.019 | 14.920 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 445 | HOH | 0 | -0.054 | -0.047 | 34.154 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 447 | HOH | 0 | -0.012 | -0.011 | 26.950 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 448 | HOH | 0 | -0.027 | -0.013 | 25.117 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 449 | HOH | 0 | 0.021 | 0.020 | 26.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 450 | HOH | 0 | -0.074 | -0.056 | 23.281 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 451 | HOH | 0 | -0.041 | -0.031 | 19.806 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 452 | HOH | 0 | -0.009 | -0.015 | 34.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 453 | HOH | 0 | -0.040 | -0.031 | 37.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 455 | HOH | 0 | -0.022 | -0.023 | 8.762 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 457 | HOH | 0 | -0.029 | -0.014 | 26.119 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 465 | HOH | 0 | -0.055 | -0.049 | 30.798 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |