FMODB ID: QY6QY
Calculation Name: 1NY7-2-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1NY7
Chain ID: 2
UniProt ID: P03599
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 | OptHSide |
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 | 369 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5800248.723644 |
---|---|
FMO2-HF: Nuclear repulsion | 5654151.446352 |
FMO2-HF: Total energy | -146097.277292 |
FMO2-MP2: Total energy | -146513.06041 |
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(2:1:MET)
Summations of interaction energy for
fragment #1(2:1:MET)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-1.645 | 0.145 | 0.004 | -0.742 | -1.052 | 0.002 |
Interaction energy analysis for fragmet #1(2:1:MET)
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 | 2 | 3 | GLN | 0 | -0.014 | -0.022 | 3.537 | -1.812 | -0.022 | 0.004 | -0.742 | -1.052 | 0.002 |
4 | 2 | 4 | ASN | 0 | 0.030 | 0.015 | 5.582 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | 2 | 5 | LEU | 0 | 0.041 | -0.011 | 8.760 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | 2 | 6 | PHE | 0 | -0.028 | -0.005 | 11.033 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | 2 | 7 | ALA | 0 | -0.026 | -0.016 | 11.207 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | 2 | 8 | LEU | 0 | -0.022 | 0.011 | 8.818 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | 2 | 9 | SER | 0 | 0.011 | 0.006 | 12.861 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | 2 | 10 | LEU | 0 | -0.033 | -0.030 | 13.989 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | 2 | 11 | ASP | -1 | -0.956 | -0.968 | 17.528 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | 2 | 12 | ASP | -1 | -0.894 | -0.923 | 20.400 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | 2 | 13 | THR | 0 | -0.002 | -0.007 | 21.903 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | 2 | 14 | SER | 0 | -0.094 | -0.048 | 24.750 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | 2 | 15 | SER | 0 | 0.018 | 0.001 | 27.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | 2 | 16 | VAL | 0 | -0.004 | 0.005 | 28.952 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | 2 | 17 | ARG | 1 | 0.880 | 0.917 | 28.955 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | 2 | 18 | GLY | 0 | 0.046 | 0.024 | 29.216 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | 2 | 19 | SER | 0 | -0.047 | -0.038 | 30.859 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | 2 | 20 | LEU | 0 | 0.050 | -0.016 | 33.330 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | 2 | 21 | LEU | 0 | -0.043 | -0.014 | 31.721 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | 2 | 22 | ASP | -1 | -0.810 | -0.887 | 28.792 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | 2 | 23 | THR | 0 | -0.032 | -0.005 | 30.546 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | 2 | 24 | LYS | 1 | 0.860 | 0.928 | 33.019 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | 2 | 25 | PHE | 0 | 0.018 | 0.002 | 33.399 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | 2 | 26 | ALA | 0 | 0.035 | 0.033 | 34.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | 2 | 27 | GLN | 0 | -0.029 | -0.020 | 37.776 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | 2 | 28 | THR | 0 | 0.068 | 0.043 | 40.868 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | 2 | 29 | ARG | 1 | 0.925 | 0.973 | 44.169 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | 2 | 30 | VAL | 0 | 0.045 | 0.033 | 47.094 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | 2 | 31 | LEU | 0 | -0.022 | -0.014 | 50.522 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | 2 | 32 | LEU | 0 | 0.022 | 0.009 | 53.496 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | 2 | 33 | SER | 0 | 0.061 | 0.029 | 56.751 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | 2 | 34 | LYS | 1 | 0.883 | 0.925 | 59.487 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | 2 | 35 | ALA | 0 | -0.019 | -0.023 | 62.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | 2 | 36 | MET | 0 | -0.074 | -0.010 | 59.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | 2 | 37 | ALA | 0 | 0.053 | -0.001 | 62.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | 2 | 38 | GLY | 0 | -0.063 | -0.015 | 63.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | 2 | 39 | GLY | 0 | -0.030 | -0.015 | 62.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | 2 | 40 | ASP | -1 | -0.864 | -0.938 | 60.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | 2 | 41 | VAL | 0 | 0.013 | 0.000 | 55.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | 2 | 42 | LEU | 0 | -0.048 | -0.030 | 54.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | 2 | 43 | LEU | 0 | -0.011 | -0.007 | 47.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | 2 | 44 | ASP | -1 | -0.760 | -0.845 | 51.697 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | 2 | 45 | GLU | -1 | -0.931 | -0.965 | 45.958 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | 2 | 46 | TYR | 0 | 0.007 | -0.003 | 45.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | 2 | 47 | LEU | 0 | 0.028 | 0.008 | 41.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | 2 | 48 | TYR | 0 | 0.022 | -0.003 | 36.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | 2 | 49 | ASP | -1 | -0.816 | -0.919 | 40.040 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | 2 | 50 | VAL | 0 | 0.011 | 0.016 | 40.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | 2 | 51 | VAL | 0 | -0.084 | -0.054 | 35.211 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | 2 | 52 | ASN | 0 | -0.029 | -0.010 | 36.429 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | 2 | 53 | GLY | 0 | -0.038 | -0.003 | 36.347 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | 2 | 54 | GLN | 0 | -0.103 | -0.064 | 35.261 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | 2 | 55 | ASP | -1 | -0.884 | -0.944 | 29.925 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | 2 | 56 | PHE | 0 | -0.044 | -0.015 | 31.913 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | 2 | 57 | ARG | 1 | 0.896 | 0.923 | 28.471 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | 2 | 58 | ALA | 0 | 0.012 | 0.018 | 28.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | 2 | 59 | THR | 0 | -0.022 | -0.015 | 30.487 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | 2 | 60 | VAL | 0 | 0.043 | 0.016 | 25.399 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | 2 | 61 | ALA | 0 | 0.042 | 0.018 | 27.311 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | 2 | 62 | PHE | 0 | 0.008 | 0.008 | 28.463 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | 2 | 63 | LEU | 0 | -0.019 | -0.031 | 30.766 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | 2 | 64 | ARG | 1 | 0.868 | 0.938 | 26.602 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | 2 | 65 | THR | 0 | 0.028 | 0.034 | 27.936 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | 2 | 66 | HIS | 0 | -0.014 | -0.015 | 27.490 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | 2 | 67 | VAL | 0 | 0.010 | -0.001 | 30.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | 2 | 68 | ILE | 0 | -0.044 | -0.010 | 32.083 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | 2 | 69 | THR | 0 | 0.066 | 0.004 | 33.777 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | 2 | 70 | GLY | 0 | -0.002 | 0.026 | 35.555 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | 2 | 71 | LYS | 1 | 0.819 | 0.905 | 37.182 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | 2 | 72 | ILE | 0 | 0.006 | 0.012 | 39.284 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | 2 | 73 | LYS | 1 | 0.902 | 0.952 | 40.827 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | 2 | 74 | VAL | 0 | 0.005 | 0.010 | 41.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | 2 | 75 | THR | 0 | -0.019 | -0.031 | 43.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | 2 | 76 | ALA | 0 | 0.003 | 0.006 | 45.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | 2 | 77 | THR | 0 | 0.000 | -0.004 | 46.792 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | 2 | 78 | THR | 0 | 0.028 | -0.011 | 49.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | 2 | 79 | ASN | 0 | 0.016 | 0.012 | 52.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | 2 | 80 | ILE | 0 | -0.035 | 0.005 | 55.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | 2 | 81 | SER | 0 | 0.005 | -0.010 | 59.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | 2 | 82 | ASP | -1 | -0.801 | -0.896 | 62.344 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | 2 | 83 | ASN | 0 | 0.017 | 0.011 | 64.419 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | 2 | 84 | SER | 0 | -0.026 | -0.041 | 63.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | 2 | 85 | GLY | 0 | 0.027 | -0.008 | 62.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | 2 | 86 | CYS | 0 | -0.056 | 0.005 | 60.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | 2 | 87 | CYS | 0 | -0.073 | -0.034 | 59.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | 2 | 88 | LEU | 0 | 0.025 | 0.030 | 54.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | 2 | 89 | MET | 0 | 0.012 | -0.003 | 55.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | 2 | 90 | LEU | 0 | -0.041 | 0.004 | 48.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | 2 | 91 | ALA | 0 | 0.018 | -0.015 | 52.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | 2 | 92 | ILE | 0 | 0.019 | 0.010 | 46.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | 2 | 93 | ASN | 0 | -0.054 | -0.039 | 50.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | 2 | 94 | SER | 0 | 0.006 | -0.023 | 48.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | 2 | 95 | GLY | 0 | 0.015 | 0.020 | 49.336 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | 2 | 96 | VAL | 0 | -0.021 | 0.013 | 51.509 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | 2 | 97 | ARG | 1 | 0.960 | 0.963 | 53.885 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | 2 | 98 | GLY | 0 | 0.002 | 0.007 | 56.498 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | 2 | 99 | LYS | 1 | 0.962 | 0.985 | 58.065 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | 2 | 100 | TYR | 0 | -0.074 | -0.067 | 54.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | 2 | 101 | SER | 0 | 0.037 | 0.032 | 59.944 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | 2 | 102 | THR | 0 | 0.038 | 0.001 | 57.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | 2 | 103 | ASP | -1 | -0.864 | -0.924 | 59.754 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | 2 | 104 | VAL | 0 | 0.056 | 0.011 | 60.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | 2 | 105 | TYR | 0 | -0.046 | -0.042 | 60.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | 2 | 106 | THR | 0 | -0.050 | -0.035 | 59.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | 2 | 107 | ILE | 0 | 0.023 | 0.008 | 56.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | 2 | 108 | CYS | 0 | -0.074 | -0.031 | 56.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | 2 | 109 | SER | 0 | -0.017 | -0.001 | 57.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | 2 | 110 | GLN | 0 | -0.008 | 0.006 | 49.212 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | 2 | 111 | ASP | -1 | -0.811 | -0.896 | 49.448 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | 2 | 112 | SER | 0 | -0.047 | -0.026 | 51.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | 2 | 113 | MET | 0 | -0.020 | 0.031 | 49.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | 2 | 114 | THR | 0 | 0.031 | 0.002 | 53.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | 2 | 115 | TRP | 0 | 0.010 | 0.010 | 52.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | 2 | 116 | ASN | 0 | 0.096 | 0.041 | 57.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | 2 | 117 | PRO | 0 | -0.024 | -0.018 | 56.379 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | 2 | 118 | GLY | 0 | 0.048 | 0.028 | 57.937 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | 2 | 119 | CYS | 0 | -0.092 | -0.013 | 60.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | 2 | 120 | LYS | 1 | 0.813 | 0.904 | 55.128 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | 2 | 121 | LYS | 1 | 0.930 | 0.963 | 52.348 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | 2 | 122 | ASN | 0 | -0.045 | -0.030 | 49.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | 2 | 123 | PHE | 0 | 0.021 | 0.006 | 50.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | 2 | 124 | SER | 0 | 0.011 | 0.015 | 46.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | 2 | 125 | PHE | 0 | 0.017 | 0.015 | 47.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | 2 | 126 | THR | 0 | -0.010 | -0.035 | 42.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | 2 | 127 | PHE | 0 | -0.001 | 0.002 | 44.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | 2 | 128 | ASN | 0 | 0.049 | 0.010 | 43.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | 2 | 129 | PRO | 0 | -0.040 | -0.014 | 41.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | 2 | 130 | ASN | 0 | -0.018 | -0.019 | 41.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | 2 | 131 | PRO | 0 | 0.049 | 0.021 | 44.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | 2 | 132 | CYS | 0 | -0.011 | -0.002 | 46.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | 2 | 133 | GLY | 0 | -0.006 | -0.007 | 43.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | 2 | 134 | ASP | -1 | -0.875 | -0.939 | 39.846 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | 2 | 135 | SER | 0 | -0.023 | -0.011 | 36.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | 2 | 136 | TRP | 0 | -0.046 | -0.023 | 37.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | 2 | 137 | SER | 0 | 0.081 | 0.034 | 34.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | 2 | 138 | ALA | 0 | 0.049 | 0.027 | 34.775 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | 2 | 139 | GLU | -1 | -0.786 | -0.887 | 35.192 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | 2 | 140 | MET | 0 | 0.004 | 0.007 | 37.168 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | 2 | 141 | ILE | 0 | 0.016 | 0.016 | 39.656 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | 2 | 142 | SER | 0 | -0.039 | 0.012 | 39.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | 2 | 143 | ARG | 1 | 0.824 | 0.886 | 37.565 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | 2 | 144 | SER | 0 | -0.089 | -0.069 | 42.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | 2 | 145 | ARG | 1 | 0.897 | 0.954 | 45.071 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | 2 | 146 | VAL | 0 | 0.053 | 0.045 | 44.876 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | 2 | 147 | ARG | 1 | 0.826 | 0.914 | 46.546 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | 2 | 148 | MET | 0 | -0.037 | -0.005 | 46.379 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | 2 | 149 | THR | 0 | 0.004 | -0.017 | 49.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | 2 | 150 | VAL | 0 | -0.022 | -0.019 | 50.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | 2 | 151 | ILE | 0 | -0.011 | -0.001 | 53.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | 2 | 152 | CYS | 0 | -0.015 | 0.014 | 57.248 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | 2 | 153 | VAL | 0 | 0.008 | -0.006 | 59.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | 2 | 154 | SER | 0 | 0.014 | -0.012 | 62.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | 2 | 155 | GLY | 0 | 0.062 | 0.037 | 63.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | 2 | 156 | TRP | 0 | -0.042 | -0.044 | 58.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | 2 | 157 | THR | 0 | -0.034 | -0.005 | 65.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | 2 | 158 | LEU | 0 | 0.048 | 0.027 | 66.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | 2 | 159 | SER | 0 | -0.022 | 0.010 | 65.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | 2 | 160 | PRO | 0 | 0.003 | 0.029 | 60.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | 2 | 161 | THR | 0 | 0.013 | -0.016 | 62.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | 2 | 162 | THR | 0 | -0.057 | -0.025 | 57.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | 2 | 163 | ASP | -1 | -0.827 | -0.891 | 57.381 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | 2 | 164 | VAL | 0 | 0.022 | 0.006 | 55.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | 2 | 165 | ILE | 0 | -0.007 | -0.011 | 49.367 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | 2 | 166 | ALA | 0 | -0.003 | 0.010 | 50.753 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | 2 | 167 | LYS | 1 | 0.851 | 0.921 | 41.509 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | 2 | 168 | LEU | 0 | 0.011 | -0.003 | 45.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | 2 | 169 | ASP | -1 | -0.828 | -0.886 | 40.230 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | 2 | 170 | TRP | 0 | 0.052 | 0.012 | 39.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | 2 | 171 | SER | 0 | -0.041 | -0.027 | 37.034 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | 2 | 172 | ILE | 0 | 0.033 | 0.041 | 34.159 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | 2 | 173 | VAL | 0 | -0.016 | 0.001 | 36.051 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | 2 | 174 | ASN | 0 | 0.040 | 0.009 | 33.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | 2 | 175 | GLU | -1 | -0.806 | -0.854 | 36.767 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | 2 | 176 | LYS | 1 | 0.859 | 0.917 | 39.249 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | 2 | 177 | CYS | 0 | -0.067 | -0.018 | 39.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | 2 | 178 | GLU | -1 | -0.811 | -0.908 | 42.000 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | 2 | 179 | PRO | 0 | 0.014 | 0.024 | 45.206 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | 2 | 180 | THR | 0 | -0.065 | -0.035 | 47.548 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | 2 | 181 | ILE | 0 | -0.017 | -0.002 | 48.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | 2 | 182 | TYR | 0 | -0.018 | -0.028 | 52.782 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | 2 | 183 | HIS | 0 | 0.024 | -0.008 | 56.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | 2 | 184 | LEU | 0 | 0.005 | -0.011 | 58.597 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | 2 | 185 | ALA | 0 | 0.018 | 0.038 | 61.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | 2 | 186 | ASP | -1 | -0.827 | -0.899 | 63.091 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | 2 | 187 | CYS | 0 | -0.045 | -0.036 | 65.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | 2 | 188 | GLN | 0 | -0.066 | -0.036 | 60.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | 2 | 189 | ASN | 0 | 0.020 | -0.007 | 58.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | 2 | 190 | TRP | 0 | 0.050 | 0.020 | 56.624 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | 2 | 191 | LEU | 0 | -0.009 | 0.024 | 58.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | 2 | 192 | PRO | 0 | 0.001 | 0.013 | 55.830 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | 2 | 193 | LEU | 0 | 0.011 | -0.017 | 58.818 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | 2 | 194 | ASN | 0 | -0.034 | -0.011 | 56.010 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | 2 | 195 | ARG | 1 | 0.943 | 0.983 | 60.224 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | 2 | 196 | TRP | 0 | 0.034 | 0.009 | 62.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | 2 | 197 | MET | 0 | -0.018 | -0.023 | 64.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | 2 | 198 | GLY | 0 | 0.031 | 0.013 | 67.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | 2 | 199 | LYS | 1 | 0.856 | 0.930 | 66.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | 2 | 200 | LEU | 0 | -0.029 | -0.007 | 69.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | 2 | 201 | THR | 0 | 0.025 | -0.003 | 71.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | 2 | 202 | PHE | 0 | -0.008 | -0.013 | 73.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | 2 | 203 | PRO | 0 | 0.087 | 0.055 | 76.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | 2 | 204 | GLN | 0 | -0.089 | -0.067 | 75.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | 2 | 205 | GLY | 0 | 0.010 | -0.004 | 79.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | 2 | 206 | VAL | 0 | -0.042 | -0.023 | 82.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | 2 | 207 | THR | 0 | -0.023 | 0.003 | 83.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | 2 | 208 | SER | 0 | 0.007 | 0.008 | 84.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | 2 | 209 | GLU | -1 | -0.825 | -0.891 | 80.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | 2 | 210 | VAL | 0 | 0.030 | 0.014 | 80.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | 2 | 211 | ARG | 1 | 0.744 | 0.856 | 76.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | 2 | 212 | ARG | 1 | 0.854 | 0.907 | 77.868 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | 2 | 213 | MET | 0 | -0.019 | 0.005 | 71.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | 2 | 214 | PRO | 0 | 0.045 | 0.021 | 74.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | 2 | 215 | LEU | 0 | 0.027 | 0.006 | 71.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | 2 | 216 | SER | 0 | -0.031 | 0.016 | 72.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | 2 | 217 | ILE | 0 | -0.038 | -0.040 | 67.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | 2 | 218 | GLY | 0 | 0.019 | 0.008 | 69.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | 2 | 219 | GLY | 0 | -0.026 | -0.018 | 69.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | 2 | 220 | GLY | 0 | -0.022 | -0.016 | 67.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | 2 | 221 | ALA | 0 | -0.055 | -0.004 | 67.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | 2 | 222 | GLY | 0 | 0.055 | 0.018 | 69.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | 2 | 223 | ALA | 0 | -0.007 | -0.013 | 69.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | 2 | 224 | THR | 0 | 0.005 | -0.017 | 72.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | 2 | 225 | GLN | 0 | -0.051 | -0.013 | 73.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | 2 | 226 | ALA | 0 | 0.025 | 0.019 | 70.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | 2 | 227 | PHE | 0 | -0.034 | -0.011 | 68.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | 2 | 228 | LEU | 0 | -0.028 | 0.000 | 65.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | 2 | 229 | ALA | 0 | 0.055 | 0.017 | 64.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | 2 | 230 | ASN | 0 | 0.002 | 0.000 | 59.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | 2 | 231 | MET | 0 | 0.037 | 0.031 | 55.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | 2 | 232 | PRO | 0 | 0.093 | 0.046 | 57.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | 2 | 233 | ASN | 0 | -0.001 | 0.008 | 60.425 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | 2 | 234 | SER | 0 | -0.007 | -0.014 | 62.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | 2 | 235 | TRP | 0 | -0.022 | -0.004 | 59.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | 2 | 236 | ILE | 0 | 0.021 | 0.010 | 63.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | 2 | 237 | SER | 0 | -0.007 | -0.016 | 65.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | 2 | 238 | MET | 0 | -0.003 | 0.013 | 64.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | 2 | 239 | TRP | 0 | -0.037 | -0.006 | 63.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | 2 | 240 | ARG | 1 | 0.843 | 0.941 | 70.016 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | 2 | 241 | TYR | 0 | -0.027 | -0.016 | 73.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | 2 | 242 | PHE | 0 | 0.032 | 0.019 | 69.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | 2 | 243 | ARG | 1 | 0.839 | 0.905 | 70.625 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | 2 | 244 | GLY | 0 | 0.033 | 0.007 | 68.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | 2 | 245 | GLU | -1 | -0.862 | -0.895 | 65.756 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | 2 | 246 | LEU | 0 | -0.009 | 0.000 | 66.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | 2 | 247 | HIS | 0 | -0.014 | -0.015 | 63.169 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | 2 | 248 | PHE | 0 | 0.017 | -0.011 | 64.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | 2 | 249 | GLU | -1 | -0.851 | -0.924 | 59.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | 2 | 250 | VAL | 0 | -0.014 | -0.010 | 63.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | 2 | 251 | THR | 0 | -0.009 | -0.015 | 61.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | 2 | 252 | LYS | 1 | 0.858 | 0.945 | 64.153 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | 2 | 253 | MET | 0 | -0.050 | -0.030 | 62.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | 2 | 254 | SER | 0 | 0.006 | 0.023 | 65.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | 2 | 255 | SER | 0 | -0.038 | -0.027 | 65.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | 2 | 256 | PRO | 0 | 0.009 | 0.004 | 64.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | 2 | 257 | TYR | 0 | -0.078 | -0.050 | 67.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | 2 | 258 | ILE | 0 | -0.058 | 0.001 | 70.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | 2 | 259 | LYS | 1 | 0.864 | 0.921 | 70.373 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | 2 | 260 | ALA | 0 | 0.065 | 0.027 | 74.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | 2 | 261 | THR | 0 | -0.054 | -0.014 | 74.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | 2 | 262 | VAL | 0 | -0.011 | -0.001 | 72.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | 2 | 263 | THR | 0 | -0.027 | -0.015 | 75.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | 2 | 264 | PHE | 0 | -0.002 | -0.006 | 71.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | 2 | 265 | LEU | 0 | 0.009 | 0.003 | 75.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | 2 | 266 | ILE | 0 | 0.012 | 0.013 | 73.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | 2 | 267 | ALA | 0 | 0.001 | 0.008 | 77.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | 2 | 268 | PHE | 0 | 0.039 | 0.001 | 80.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | 2 | 269 | GLY | 0 | 0.031 | 0.031 | 82.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | 2 | 270 | ASN | 0 | 0.005 | 0.005 | 83.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | 2 | 271 | LEU | 0 | -0.011 | 0.031 | 84.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | 2 | 272 | SER | 0 | 0.037 | 0.002 | 86.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | 2 | 273 | ASP | -1 | -0.812 | -0.883 | 84.364 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | 2 | 274 | ALA | 0 | 0.022 | 0.005 | 86.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | 2 | 275 | PHE | 0 | -0.055 | -0.014 | 86.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | 2 | 276 | GLY | 0 | 0.075 | 0.030 | 88.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | 2 | 277 | PHE | 0 | -0.045 | -0.023 | 88.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | 2 | 278 | TYR | 0 | 0.061 | 0.010 | 82.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | 2 | 279 | GLU | -1 | -0.806 | -0.893 | 81.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | 2 | 280 | SER | 0 | -0.069 | -0.030 | 84.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | 2 | 281 | PHE | 0 | -0.019 | -0.005 | 81.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | 2 | 282 | PRO | 0 | 0.018 | 0.013 | 78.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | 2 | 283 | HIS | 0 | -0.054 | -0.035 | 77.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | 2 | 284 | ARG | 1 | 0.781 | 0.871 | 70.962 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | 2 | 285 | ILE | 0 | 0.030 | 0.008 | 74.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | 2 | 286 | VAL | 0 | -0.029 | -0.016 | 69.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | 2 | 287 | GLN | 0 | 0.002 | -0.011 | 71.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | 2 | 288 | PHE | 0 | -0.011 | -0.003 | 65.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | 2 | 289 | ALA | 0 | 0.024 | 0.018 | 66.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | 2 | 290 | GLU | -1 | -0.950 | -0.984 | 63.866 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | 2 | 291 | VAL | 0 | 0.113 | 0.040 | 60.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | 2 | 292 | GLU | -1 | -0.889 | -0.935 | 61.661 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | 2 | 293 | GLU | -1 | -0.789 | -0.931 | 58.743 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | 2 | 294 | LYS | 1 | 0.775 | 0.881 | 57.425 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | 2 | 295 | CYS | 0 | 0.013 | 0.022 | 62.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | 2 | 296 | THR | 0 | 0.024 | 0.010 | 62.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | 2 | 297 | LEU | 0 | -0.041 | -0.001 | 64.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | 2 | 298 | VAL | 0 | 0.030 | 0.017 | 65.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | 2 | 299 | PHE | 0 | -0.018 | -0.007 | 68.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | 2 | 300 | SER | 0 | 0.035 | 0.007 | 70.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | 2 | 301 | GLN | 0 | 0.073 | 0.022 | 69.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | 2 | 302 | GLN | 0 | -0.016 | -0.009 | 73.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | 2 | 303 | GLU | -1 | -0.773 | -0.854 | 73.984 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | 2 | 304 | PHE | 0 | -0.013 | -0.006 | 72.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | 2 | 305 | VAL | 0 | 0.042 | 0.031 | 77.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | 2 | 306 | THR | 0 | -0.030 | -0.018 | 78.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | 2 | 307 | ALA | 0 | -0.016 | 0.009 | 75.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | 2 | 308 | TRP | 0 | 0.014 | -0.001 | 72.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | 2 | 309 | SER | 0 | 0.000 | -0.012 | 75.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | 2 | 310 | THR | 0 | -0.030 | -0.034 | 70.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | 2 | 311 | GLN | 0 | 0.059 | 0.036 | 72.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | 2 | 312 | VAL | 0 | 0.023 | 0.017 | 74.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | 2 | 313 | ASN | 0 | 0.008 | 0.013 | 78.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | 2 | 314 | PRO | 0 | 0.103 | 0.050 | 77.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | 2 | 315 | ARG | 1 | 0.889 | 0.950 | 79.710 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | 2 | 316 | THR | 0 | -0.050 | -0.027 | 82.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | 2 | 317 | THR | 0 | -0.015 | -0.033 | 83.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | 2 | 318 | LEU | 0 | 0.054 | 0.022 | 81.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | 2 | 319 | GLU | -1 | -0.885 | -0.927 | 84.875 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | 2 | 320 | ALA | 0 | -0.025 | -0.007 | 87.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | 2 | 321 | ASP | -1 | -0.805 | -0.869 | 80.195 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | 2 | 322 | GLY | 0 | 0.010 | 0.011 | 83.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | 2 | 323 | CYS | 0 | -0.086 | -0.030 | 77.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | 2 | 324 | PRO | 0 | 0.011 | 0.007 | 76.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | 2 | 325 | TYR | 0 | -0.047 | -0.056 | 76.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | 2 | 326 | LEU | 0 | -0.013 | -0.003 | 70.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | 2 | 327 | TYR | 0 | -0.047 | -0.056 | 75.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | 2 | 328 | ALA | 0 | -0.013 | -0.012 | 74.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | 2 | 329 | ILE | 0 | 0.012 | 0.003 | 76.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | 2 | 330 | ILE | 0 | -0.003 | 0.013 | 76.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | 2 | 331 | HIS | 1 | 0.794 | 0.886 | 79.228 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | 2 | 332 | ASP | -1 | -0.790 | -0.886 | 79.553 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | 2 | 333 | SER | 0 | -0.047 | -0.024 | 80.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | 2 | 334 | THR | 0 | -0.015 | 0.000 | 75.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | 2 | 335 | THR | 0 | -0.025 | -0.019 | 77.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | 2 | 336 | GLY | 0 | 0.093 | 0.030 | 75.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | 2 | 337 | THR | 0 | -0.075 | -0.017 | 75.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | 2 | 338 | ILE | 0 | 0.011 | 0.010 | 71.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | 2 | 339 | SER | 0 | 0.025 | 0.018 | 74.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | 2 | 340 | GLY | 0 | 0.041 | 0.001 | 72.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | 2 | 341 | ASP | -1 | -0.872 | -0.919 | 72.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | 2 | 342 | PHE | 0 | 0.007 | -0.008 | 70.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | 2 | 343 | ASN | 0 | -0.010 | -0.002 | 68.595 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | 2 | 344 | LEU | 0 | 0.026 | 0.014 | 67.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | 2 | 345 | GLY | 0 | 0.018 | 0.011 | 65.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | 2 | 346 | VAL | 0 | -0.002 | -0.004 | 66.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | 2 | 347 | LYS | 1 | 0.862 | 0.935 | 58.693 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | 2 | 348 | LEU | 0 | 0.010 | 0.020 | 64.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | 2 | 349 | VAL | 0 | -0.010 | -0.015 | 58.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | 2 | 350 | GLY | 0 | 0.066 | 0.021 | 60.297 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | 2 | 351 | ILE | 0 | -0.075 | -0.011 | 61.988 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | 2 | 352 | LYS | 1 | 0.844 | 0.906 | 62.120 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | 2 | 353 | ASP | -1 | -0.903 | -0.951 | 63.699 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | 2 | 354 | PHE | 0 | -0.013 | 0.003 | 64.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | 2 | 355 | CYS | 0 | 0.014 | 0.004 | 66.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | 2 | 356 | GLY | 0 | 0.025 | 0.013 | 68.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | 2 | 357 | ILE | 0 | -0.016 | -0.027 | 69.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | 2 | 358 | GLY | 0 | 0.056 | 0.022 | 72.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | 2 | 359 | SER | 0 | 0.024 | 0.013 | 70.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | 2 | 360 | ASN | 0 | -0.061 | -0.051 | 71.340 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | 2 | 361 | PRO | 0 | -0.048 | -0.025 | 72.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | 2 | 362 | GLY | 0 | 0.012 | 0.021 | 73.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | 2 | 363 | ILE | 0 | -0.087 | -0.049 | 74.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | 2 | 364 | ASP | -1 | -0.891 | -0.943 | 73.750 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | 2 | 365 | GLY | 0 | 0.041 | 0.027 | 73.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | 2 | 366 | SER | 0 | -0.060 | -0.042 | 72.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | 2 | 367 | ARG | 1 | 0.827 | 0.894 | 74.273 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | 2 | 368 | LEU | 0 | 0.002 | 0.005 | 73.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | 2 | 369 | LEU | 0 | -0.020 | 0.006 | 67.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |