![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: MVQQZ
Calculation Name: 3LPZ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LPZ
Chain ID: A
UniProt ID: G0S7T3
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 321 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4232739.228153 |
---|---|
FMO2-HF: Nuclear repulsion | 4108685.760291 |
FMO2-HF: Total energy | -124053.467862 |
FMO2-MP2: Total energy | -124418.256855 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030095/ligand_interaction/ligand_F030095.png)
Ligand Interaction
![ligand interaction](./Kdata/F030095/ligand_interaction/ligand_interaction_F030095.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:3:ASN)
Summations of interaction energy for
fragment #1(A:3:ASN)
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. |
-37.441 | -30.837 | 3.515 | -3.99 | -6.13 | 0.022 |
Interaction energy analysis for fragmet #1(A:3:ASN)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 5 | ILE | 0 | 0.018 | 0.008 | 3.321 | -2.870 | -0.697 | -0.001 | -0.926 | -1.247 | 0.003 |
4 | A | 6 | GLU | -1 | -0.861 | -0.930 | 2.788 | -12.484 | -10.308 | 0.317 | -0.882 | -1.611 | -0.006 |
5 | A | 7 | ARG | 1 | 0.954 | 0.977 | 2.311 | -20.495 | -18.240 | 3.199 | -2.182 | -3.272 | 0.025 |
6 | A | 8 | ILE | 0 | -0.094 | -0.040 | 6.180 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | ILE | 0 | 0.059 | 0.028 | 7.616 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | ALA | 0 | 0.040 | 0.034 | 8.366 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | ARG | 1 | 0.922 | 0.962 | 9.415 | -1.408 | -1.408 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | LEU | 0 | -0.022 | -0.015 | 12.120 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | GLN | 0 | 0.003 | -0.012 | 11.977 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | ARG | 1 | 0.924 | 0.981 | 14.153 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | ARG | 1 | 0.909 | 0.925 | 16.033 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | ILE | 0 | -0.024 | -0.009 | 17.033 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | ALA | 0 | -0.047 | -0.024 | 18.554 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | GLU | -1 | -0.940 | -0.977 | 18.988 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | GLY | 0 | -0.026 | 0.012 | 21.997 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | GLN | 0 | 0.023 | 0.000 | 23.781 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | PRO | 0 | 0.053 | 0.012 | 26.016 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | GLU | -1 | -0.922 | -0.953 | 26.681 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | GLU | -1 | -0.873 | -0.945 | 23.229 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | GLN | 0 | -0.087 | -0.043 | 22.035 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | TYR | 0 | 0.014 | 0.006 | 22.224 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | GLU | -1 | -0.868 | -0.936 | 22.992 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | ALA | 0 | -0.030 | -0.005 | 18.156 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | ALA | 0 | 0.015 | 0.020 | 18.511 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | GLN | 0 | 0.038 | 0.021 | 19.977 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | GLU | -1 | -0.881 | -0.915 | 16.013 | 0.529 | 0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | THR | 0 | -0.017 | -0.040 | 14.759 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | ARG | 1 | 0.896 | 0.950 | 16.101 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | LEU | 0 | -0.022 | 0.003 | 18.303 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | VAL | 0 | -0.037 | -0.026 | 11.790 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | ALA | 0 | 0.034 | 0.018 | 13.712 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | ALA | 0 | 0.027 | 0.008 | 14.722 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | ARG | 1 | 0.917 | 0.953 | 14.968 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | TYR | 0 | 0.010 | 0.001 | 8.398 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | SER | 0 | 0.030 | 0.016 | 13.436 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | LYS | 1 | 0.898 | 0.957 | 16.399 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | GLN | 0 | -0.068 | -0.028 | 13.636 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | GLY | 0 | 0.053 | 0.038 | 16.089 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | ASN | 0 | -0.037 | -0.017 | 8.431 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | TRP | 0 | 0.101 | 0.018 | 12.445 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | ALA | 0 | 0.018 | 0.013 | 10.364 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | ALA | 0 | 0.012 | 0.017 | 8.259 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | ALA | 0 | -0.013 | -0.005 | 9.428 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | VAL | 0 | 0.022 | 0.009 | 12.815 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | ASP | -1 | -0.892 | -0.938 | 8.533 | -1.974 | -1.974 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | ILE | 0 | -0.050 | -0.034 | 9.200 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | LEU | 0 | -0.002 | -0.003 | 11.618 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | ALA | 0 | 0.022 | 0.012 | 14.352 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | SER | 0 | -0.031 | -0.021 | 11.638 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | VAL | 0 | 0.004 | -0.011 | 13.452 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | SER | 0 | -0.022 | -0.002 | 15.859 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | GLN | 0 | 0.039 | 0.004 | 17.436 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | THR | 0 | -0.039 | -0.015 | 16.137 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | LEU | 0 | -0.006 | 0.007 | 18.583 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | LEU | 0 | -0.028 | -0.004 | 21.376 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | ARG | 1 | 0.924 | 0.962 | 19.427 | 0.481 | 0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | SER | 0 | -0.041 | -0.011 | 21.427 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | GLY | 0 | 0.017 | 0.006 | 24.086 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | GLN | 0 | -0.015 | 0.005 | 24.369 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | GLY | 0 | 0.009 | -0.002 | 25.502 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | GLY | 0 | 0.064 | 0.033 | 27.325 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | SER | 0 | 0.037 | 0.008 | 23.736 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | GLY | 0 | 0.043 | 0.013 | 22.157 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | GLY | 0 | 0.017 | 0.000 | 22.736 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | ASP | -1 | -0.912 | -0.952 | 25.014 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | LEU | 0 | -0.067 | -0.047 | 18.420 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | ALA | 0 | 0.009 | 0.018 | 20.477 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | VAL | 0 | 0.005 | -0.014 | 22.029 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | LEU | 0 | 0.003 | 0.006 | 19.750 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | LEU | 0 | -0.009 | 0.008 | 16.605 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | VAL | 0 | -0.001 | 0.000 | 19.669 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | ASP | -1 | -0.890 | -0.948 | 22.665 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | THR | 0 | -0.025 | -0.020 | 16.531 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | PHE | 0 | -0.009 | -0.018 | 16.865 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | ARG | 1 | 0.789 | 0.882 | 20.568 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | GLN | 0 | -0.075 | -0.026 | 21.222 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | ALA | 0 | -0.027 | -0.008 | 18.322 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | GLY | 0 | -0.010 | 0.006 | 20.137 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | GLN | 0 | -0.096 | -0.043 | 18.110 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | ARG | 1 | 0.934 | 0.964 | 21.183 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | VAL | 0 | -0.036 | 0.000 | 22.445 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | ASP | -1 | -0.822 | -0.893 | 19.800 | -0.690 | -0.690 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | GLY | 0 | 0.003 | -0.003 | 21.745 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | ALA | 0 | 0.029 | 0.012 | 16.099 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | SER | 0 | -0.031 | -0.032 | 18.042 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | ARG | 1 | 0.892 | 0.923 | 19.313 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | GLY | 0 | 0.014 | 0.001 | 20.124 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | LYS | 1 | 0.919 | 0.962 | 13.342 | 1.175 | 1.175 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | LEU | 0 | 0.003 | 0.010 | 18.650 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | LEU | 0 | 0.012 | -0.004 | 21.962 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | GLY | 0 | -0.005 | 0.007 | 20.461 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | CYS | 0 | -0.029 | -0.019 | 19.820 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | LEU | 0 | -0.016 | -0.009 | 22.352 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | ARG | 1 | 0.947 | 0.964 | 25.357 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | LEU | 0 | -0.038 | -0.013 | 21.216 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | PHE | 0 | -0.025 | 0.010 | 25.404 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | GLN | 0 | 0.040 | 0.016 | 28.139 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | PRO | 0 | 0.047 | 0.019 | 31.401 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | GLY | 0 | -0.002 | -0.002 | 34.294 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | GLU | -1 | -0.891 | -0.940 | 29.566 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | PRO | 0 | -0.009 | -0.010 | 32.996 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | VAL | 0 | 0.012 | 0.005 | 27.985 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | ARG | 1 | 0.797 | 0.881 | 29.359 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | LYS | 1 | 0.969 | 0.986 | 30.574 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | ARG | 1 | 0.902 | 0.940 | 29.573 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | PHE | 0 | 0.016 | 0.008 | 23.349 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | VAL | 0 | 0.034 | 0.016 | 28.284 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | LYS | 1 | 0.949 | 0.977 | 30.423 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | GLU | -1 | -0.844 | -0.912 | 27.588 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | MET | 0 | 0.035 | 0.037 | 25.577 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | ILE | 0 | 0.006 | -0.001 | 27.351 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | ASP | -1 | -0.867 | -0.905 | 30.566 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | TRP | 0 | 0.001 | -0.006 | 22.589 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | SER | 0 | -0.022 | -0.037 | 27.789 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | LYS | 1 | 0.880 | 0.954 | 28.621 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | LYS | 1 | 0.828 | 0.903 | 30.203 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | PHE | 0 | 0.007 | 0.003 | 25.665 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | GLY | 0 | 0.044 | 0.018 | 27.020 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | ASP | -1 | -0.918 | -0.955 | 29.118 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | TYR | 0 | -0.003 | 0.000 | 32.031 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | PRO | 0 | 0.082 | 0.044 | 33.861 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | ALA | 0 | -0.013 | -0.005 | 35.816 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | GLY | 0 | -0.019 | -0.020 | 32.606 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | ASP | -1 | -0.741 | -0.872 | 28.588 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | PRO | 0 | 0.028 | 0.023 | 31.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | GLU | -1 | -0.933 | -0.971 | 27.203 | -0.438 | -0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | LEU | 0 | -0.008 | -0.012 | 25.711 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | HIS | 1 | 0.794 | 0.874 | 29.764 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | HIS | 0 | 0.048 | 0.042 | 32.491 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | VAL | 0 | -0.006 | 0.006 | 28.652 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | VAL | 0 | 0.000 | 0.007 | 30.760 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | GLY | 0 | 0.008 | 0.005 | 32.881 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | THR | 0 | -0.056 | -0.045 | 33.610 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | LEU | 0 | 0.018 | 0.006 | 30.014 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | TYR | 0 | -0.051 | -0.027 | 34.641 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | VAL | 0 | 0.005 | -0.002 | 37.706 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | GLU | -1 | -0.960 | -0.977 | 34.504 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | GLU | -1 | -0.815 | -0.882 | 34.719 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | GLY | 0 | 0.004 | 0.012 | 39.265 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | GLU | -1 | -0.943 | -0.966 | 39.670 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | PHE | 0 | 0.039 | -0.017 | 41.605 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | GLU | -1 | -0.895 | -0.945 | 43.798 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | ALA | 0 | -0.055 | -0.028 | 39.629 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | ALA | 0 | 0.009 | -0.009 | 39.189 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | GLU | -1 | -0.745 | -0.809 | 40.173 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | LYS | 1 | 0.932 | 0.960 | 40.815 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | HIS | 0 | -0.006 | 0.027 | 34.886 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | LEU | 0 | 0.059 | 0.026 | 37.477 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | VAL | 0 | -0.014 | 0.002 | 39.332 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | LEU | 0 | -0.071 | -0.035 | 37.465 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | GLY | 0 | 0.026 | 0.022 | 35.674 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | THR | 0 | 0.008 | 0.009 | 32.602 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | LYS | 1 | 0.930 | 0.942 | 34.839 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | GLU | -1 | -0.884 | -0.949 | 34.458 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | SER | 0 | -0.044 | -0.038 | 36.682 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | PRO | 0 | -0.024 | -0.002 | 38.881 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | GLU | -1 | -0.810 | -0.881 | 41.545 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | VAL | 0 | -0.007 | -0.002 | 37.707 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | LEU | 0 | 0.016 | 0.009 | 41.185 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | ALA | 0 | 0.014 | 0.006 | 43.409 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | ARG | 1 | 0.859 | 0.903 | 43.401 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | MET | 0 | -0.024 | 0.032 | 43.187 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | GLH | 0 | -0.039 | -0.086 | 45.265 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | TYR | 0 | -0.061 | -0.048 | 48.505 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | GLU | -1 | -0.935 | -0.978 | 46.073 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | TRP | 0 | -0.063 | -0.033 | 48.153 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | TYR | 0 | -0.042 | -0.023 | 50.268 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | LYS | 1 | 0.907 | 0.965 | 51.297 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | GLN | 0 | -0.075 | -0.025 | 49.035 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | ASP | -1 | -0.813 | -0.848 | 54.428 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | GLU | -1 | -0.936 | -0.976 | 57.183 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | SER | 0 | 0.016 | 0.000 | 59.780 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | HIS | 0 | 0.025 | 0.003 | 60.763 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | THR | 0 | 0.028 | 0.006 | 58.002 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | ALA | 0 | 0.037 | 0.018 | 56.698 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | PRO | 0 | -0.031 | -0.035 | 56.046 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | LEU | 0 | 0.010 | 0.006 | 56.275 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | TYR | 0 | -0.023 | -0.031 | 51.424 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | CYS | 0 | -0.079 | -0.022 | 51.506 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | ALA | 0 | 0.012 | -0.006 | 51.847 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | ARG | 1 | 0.855 | 0.910 | 48.567 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | ALA | 0 | 0.003 | 0.008 | 47.425 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | VAL | 0 | -0.035 | -0.019 | 47.663 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | LEU | 0 | -0.008 | -0.012 | 49.812 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | PRO | 0 | 0.029 | 0.018 | 46.636 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | TYR | 0 | -0.008 | -0.013 | 41.211 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | LEU | 0 | -0.013 | 0.007 | 46.663 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | LEU | 0 | 0.021 | 0.026 | 48.620 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | VAL | 0 | -0.062 | -0.004 | 43.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | ALA | 0 | -0.009 | 0.000 | 44.774 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | ASN | 0 | -0.001 | -0.002 | 41.588 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | VAL | 0 | 0.093 | 0.028 | 45.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | ARG | 1 | 0.933 | 0.976 | 41.586 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | ALA | 0 | -0.016 | -0.012 | 43.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | ALA | 0 | 0.074 | 0.042 | 44.999 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | ASN | 0 | 0.001 | -0.012 | 48.459 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | THR | 0 | -0.059 | -0.024 | 43.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | ALA | 0 | 0.039 | 0.019 | 46.327 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | TYR | 0 | 0.024 | -0.011 | 47.571 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | ARG | 1 | 0.894 | 0.970 | 47.969 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | ILE | 0 | 0.000 | 0.008 | 45.471 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | PHE | 0 | 0.035 | 0.019 | 48.869 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | THR | 0 | -0.027 | -0.031 | 50.938 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | SER | 0 | -0.032 | -0.021 | 51.022 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | ALA | 0 | -0.010 | 0.007 | 50.116 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | LEU | 0 | 0.040 | 0.013 | 52.162 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | VAL | 0 | -0.038 | -0.022 | 55.552 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | GLU | -1 | -1.026 | -1.021 | 52.150 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | ASP | -1 | -0.801 | -0.877 | 54.217 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | ASN | 0 | -0.089 | -0.036 | 56.024 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | LYS | 1 | 0.955 | 0.967 | 56.846 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | GLY | 0 | -0.023 | -0.002 | 61.260 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | LEU | 0 | -0.031 | 0.002 | 60.415 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | THR | 0 | -0.008 | -0.017 | 63.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | VAL | 0 | 0.007 | 0.003 | 60.172 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | GLN | 0 | -0.039 | -0.010 | 63.549 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | ASN | 0 | -0.015 | -0.020 | 59.259 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | ILE | 0 | -0.006 | 0.003 | 61.266 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | GLY | 0 | -0.034 | -0.007 | 58.174 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | SER | 0 | -0.013 | 0.019 | 55.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | GLN | 0 | 0.014 | -0.027 | 55.468 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | SER | 0 | -0.028 | -0.006 | 51.901 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | ALA | 0 | -0.017 | -0.020 | 51.749 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | GLU | -1 | -0.880 | -0.942 | 51.716 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | LEU | 0 | 0.032 | 0.015 | 55.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | ARG | 1 | 0.906 | 0.946 | 53.437 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | ILE | 0 | -0.001 | 0.008 | 59.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | PHE | 0 | 0.087 | 0.018 | 58.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | PRO | 0 | -0.021 | -0.003 | 63.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | SER | 0 | 0.002 | 0.002 | 65.439 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | LEU | 0 | 0.034 | 0.025 | 60.478 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | PRO | 0 | 0.045 | 0.014 | 63.275 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | LEU | 0 | 0.057 | 0.025 | 61.091 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | LEU | 0 | 0.051 | 0.021 | 56.583 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | ASN | 0 | -0.019 | -0.004 | 59.653 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | PHE | 0 | 0.009 | 0.013 | 59.616 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | ILE | 0 | 0.032 | 0.017 | 55.261 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 242 | SER | 0 | -0.013 | 0.013 | 57.482 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 243 | MET | 0 | 0.003 | -0.005 | 58.554 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 244 | LEU | 0 | -0.008 | 0.015 | 56.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 245 | LEU | 0 | -0.006 | -0.015 | 52.491 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 246 | LEU | 0 | -0.035 | -0.018 | 56.047 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 247 | SER | 0 | -0.040 | -0.038 | 58.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 248 | VAL | 0 | -0.018 | -0.003 | 53.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 249 | GLN | 0 | -0.017 | 0.005 | 55.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 250 | LYS | 1 | 0.936 | 0.965 | 56.448 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 251 | GLY | 0 | 0.086 | 0.062 | 58.755 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 252 | SER | 0 | -0.047 | -0.036 | 59.845 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 253 | PRO | 0 | 0.048 | 0.001 | 63.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 254 | ASP | -1 | -0.931 | -0.960 | 64.606 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 255 | LEU | 0 | -0.016 | -0.004 | 62.608 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 256 | PHE | 0 | 0.023 | 0.021 | 59.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 257 | ARG | 1 | 0.932 | 0.957 | 63.843 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 258 | GLN | 0 | 0.027 | 0.015 | 67.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 259 | LEU | 0 | -0.017 | -0.003 | 62.091 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 260 | LYS | 1 | 0.965 | 0.971 | 63.165 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 261 | SER | 0 | -0.021 | 0.011 | 66.360 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 262 | LYS | 1 | 0.932 | 0.963 | 68.312 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 263 | TYR | 0 | -0.031 | -0.025 | 65.865 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 264 | GLU | -1 | -0.916 | -0.939 | 67.353 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 265 | ALA | 0 | 0.015 | 0.002 | 68.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 266 | ASN | 0 | 0.028 | -0.008 | 66.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 267 | LEU | 0 | -0.021 | -0.022 | 62.374 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 268 | ASN | 0 | 0.008 | 0.009 | 64.792 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 269 | GLU | -1 | -0.973 | -0.977 | 66.504 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 270 | LEU | 0 | -0.075 | -0.032 | 60.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 271 | ASN | 0 | -0.032 | -0.030 | 62.030 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 272 | GLY | 0 | 0.105 | 0.064 | 61.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 273 | ILE | 0 | -0.044 | -0.005 | 57.035 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 274 | TRP | 0 | -0.016 | -0.027 | 56.592 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 275 | ASP | -1 | -0.869 | -0.924 | 58.022 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 276 | THR | 0 | 0.001 | -0.014 | 54.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 277 | ALA | 0 | 0.005 | 0.002 | 53.937 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 278 | LEU | 0 | -0.004 | -0.014 | 55.016 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 279 | GLU | -1 | -0.943 | -0.968 | 58.073 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 280 | LEU | 0 | -0.004 | -0.002 | 51.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 281 | ILE | 0 | 0.009 | 0.010 | 53.429 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 282 | ALA | 0 | -0.016 | -0.015 | 55.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 283 | GLU | -1 | -0.892 | -0.954 | 55.639 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 284 | MET | 0 | -0.100 | -0.047 | 49.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 285 | TYR | 0 | -0.061 | -0.062 | 50.169 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 286 | PHE | 0 | -0.051 | -0.024 | 56.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 287 | GLY | 0 | 0.013 | 0.023 | 58.701 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 288 | ILE | 0 | -0.112 | -0.058 | 60.191 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 289 | GLN | 0 | 0.032 | 0.012 | 60.183 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 290 | ARG | 1 | 0.945 | 0.982 | 54.697 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 291 | PRO | 0 | -0.015 | 0.001 | 61.073 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 292 | ARG | 1 | 0.954 | 0.971 | 62.663 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 293 | GLN | 0 | 0.010 | 0.007 | 58.643 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 294 | SER | 0 | -0.006 | 0.005 | 63.004 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 295 | ASN | 0 | 0.065 | 0.029 | 64.398 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 296 | PRO | 0 | 0.089 | 0.041 | 66.449 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 297 | LEU | 0 | 0.021 | 0.010 | 67.380 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 298 | LEU | 0 | -0.013 | -0.017 | 67.172 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 299 | ASP | -1 | -0.945 | -0.961 | 70.604 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 300 | MET | 0 | -0.039 | -0.033 | 72.789 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 301 | MET | 0 | -0.023 | -0.027 | 70.021 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 302 | GLY | 0 | -0.007 | -0.004 | 74.135 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 303 | SER | 0 | -0.065 | -0.021 | 75.715 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 304 | LEU | 0 | -0.007 | -0.002 | 78.310 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 305 | PHE | 0 | -0.054 | -0.013 | 78.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 306 | GLY | 0 | -0.008 | 0.008 | 79.782 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 308 | GLY | 0 | 0.049 | 0.019 | 87.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 309 | GLY | 0 | 0.019 | -0.011 | 85.808 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 310 | GLY | 0 | 0.066 | 0.036 | 86.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 310 | GLY | 0 | -0.007 | 0.002 | 81.791 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 311 | ALA | 0 | 0.063 | 0.039 | 81.481 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 312 | PRO | 0 | 0.046 | 0.034 | 79.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 313 | SER | 0 | -0.003 | 0.004 | 77.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 314 | LYS | 1 | 0.900 | 0.953 | 78.917 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 315 | ALA | 0 | 0.005 | 0.012 | 77.576 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 316 | ALA | 0 | 0.035 | -0.004 | 79.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 317 | LEU | 0 | -0.012 | 0.020 | 74.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 318 | ARG | 1 | 0.819 | 0.876 | 77.237 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 319 | ARG | 1 | 0.963 | 0.979 | 75.396 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 320 | ILE | 0 | 0.016 | 0.011 | 80.711 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 321 | ASP | -1 | -0.914 | -0.948 | 83.271 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 322 | THR | 0 | -0.054 | -0.036 | 85.403 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 323 | PRO | 0 | 0.009 | 0.017 | 87.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |