FMODB ID: 2NRYR
Calculation Name: 1YM5-A-Xray372
Preferred Name:
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Target Type:
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Ligand Name:
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ligand 3-letter code:
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PDB ID: 1YM5
Chain ID: A
ChEMBL ID:
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UniProt ID: P38765
Base Structure: X-ray
Registration Date: 2023-09-23
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 294 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
FMO2-HF: Electronic energy | -4185806.17696 |
---|---|
FMO2-HF: Nuclear repulsion | 4071340.732206 |
FMO2-HF: Total energy | -114465.444754 |
FMO2-MP2: Total energy | -114798.642595 |
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:2:THR)
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. |
-3.017 | -1.25 | 5.39 | -2.177 | -4.98 | 0.015 |
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 | 4 | MET | 0 | -0.046 | -0.028 | 2.609 | 1.394 | 4.092 | 0.339 | -1.054 | -1.983 | 0.006 |
4 | A | 5 | VAL | 0 | 0.025 | 0.030 | 5.148 | -0.009 | 0.033 | -0.001 | -0.005 | -0.037 | 0.000 |
5 | A | 6 | PRO | 0 | -0.068 | -0.041 | 8.865 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | PHE | 0 | 0.022 | 0.006 | 11.327 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | LYS | 1 | 0.811 | 0.905 | 13.059 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | GLN | 0 | 0.018 | 0.008 | 16.540 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | VAL | 0 | 0.007 | 0.003 | 18.574 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | ASP | -1 | -0.772 | -0.898 | 22.073 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | VAL | 0 | -0.058 | -0.041 | 25.263 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | PHE | 0 | 0.007 | -0.015 | 27.892 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | THR | 0 | 0.031 | 0.014 | 28.993 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | GLU | -1 | -0.906 | -0.949 | 30.080 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | LYS | 1 | 0.887 | 0.940 | 30.366 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | PRO | 0 | 0.077 | 0.022 | 25.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | PHE | 0 | -0.035 | -0.013 | 23.057 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | MET | 0 | -0.055 | -0.003 | 27.457 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | GLY | 0 | 0.070 | 0.037 | 28.748 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | ASN | 0 | -0.051 | -0.041 | 27.136 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | PRO | 0 | 0.021 | 0.011 | 22.032 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | VAL | 0 | -0.017 | 0.016 | 20.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | ALA | 0 | 0.010 | 0.017 | 16.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | VAL | 0 | -0.010 | -0.002 | 17.023 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | ILE | 0 | 0.006 | -0.005 | 11.757 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | ASN | 0 | -0.008 | -0.005 | 13.434 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | PHE | 0 | 0.057 | 0.007 | 10.431 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | LEU | 0 | 0.016 | 0.005 | 14.617 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | GLU | -1 | -1.004 | -1.006 | 13.772 | -0.614 | -0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | ILE | 0 | -0.067 | -0.016 | 11.107 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ASP | -1 | -0.871 | -0.940 | 14.587 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | GLU | -1 | -0.786 | -0.889 | 16.272 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | ASN | 0 | -0.055 | -0.024 | 18.258 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | GLU | -1 | -1.027 | -1.004 | 14.341 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | VAL | 0 | -0.013 | 0.002 | 13.240 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | SER | 0 | 0.011 | 0.022 | 15.270 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | GLN | 0 | 0.053 | -0.015 | 16.959 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | GLU | -1 | -0.939 | -0.969 | 17.983 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | GLU | -1 | -0.873 | -0.935 | 12.086 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | LEU | 0 | -0.039 | -0.020 | 14.634 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | GLN | 0 | -0.004 | -0.006 | 16.362 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | ALA | 0 | -0.001 | 0.002 | 14.861 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | ILE | 0 | -0.015 | -0.009 | 11.276 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | ALA | 0 | -0.005 | -0.007 | 14.398 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | ASN | 0 | -0.104 | -0.050 | 17.855 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | TRP | 0 | -0.030 | -0.009 | 11.720 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | THR | 0 | -0.052 | -0.038 | 14.790 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | ASN | 0 | -0.040 | -0.007 | 16.954 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | LEU | 0 | -0.016 | 0.004 | 19.329 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | SER | 0 | -0.014 | -0.014 | 21.989 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | GLU | -1 | -0.827 | -0.961 | 22.890 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | THR | 0 | -0.043 | 0.003 | 16.329 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | THR | 0 | -0.029 | -0.033 | 18.797 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | PHE | 0 | 0.012 | 0.014 | 13.890 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | LEU | 0 | 0.001 | 0.007 | 17.348 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | PHE | 0 | 0.047 | 0.012 | 16.222 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | LYS | 1 | 0.922 | 0.948 | 18.042 | 0.439 | 0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | PRO | 0 | -0.027 | 0.005 | 21.982 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | SER | 0 | -0.101 | -0.079 | 25.533 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | ASP | -1 | -0.867 | -0.952 | 27.646 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | LYS | 1 | 0.941 | 0.960 | 29.772 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | LYS | 1 | 0.872 | 0.949 | 30.791 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | TYR | 0 | -0.042 | -0.017 | 28.596 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | ASP | -1 | -0.816 | -0.909 | 27.007 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | TYR | 0 | -0.028 | -0.027 | 22.867 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | LYS | 1 | 0.873 | 0.942 | 22.767 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | LEU | 0 | -0.048 | -0.022 | 21.231 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | ARG | 1 | 0.758 | 0.876 | 20.414 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | ILE | 0 | 0.031 | 0.007 | 21.060 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | PHE | 0 | 0.019 | 0.011 | 20.245 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | THR | 0 | 0.015 | 0.033 | 22.284 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | PRO | 0 | 0.029 | 0.001 | 21.332 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | ARG | 1 | 0.921 | 0.952 | 22.392 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | SER | 0 | 0.026 | 0.015 | 24.913 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | GLU | -1 | -0.778 | -0.864 | 23.564 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | LEU | 0 | -0.055 | -0.028 | 24.963 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | PRO | 0 | -0.010 | -0.016 | 26.981 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | PHE | 0 | 0.042 | -0.017 | 28.908 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | ALA | 0 | 0.050 | 0.026 | 27.816 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | GLY | 0 | 0.042 | 0.021 | 29.047 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | HIS | 1 | 0.861 | 0.925 | 25.432 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | PRO | 0 | 0.040 | 0.018 | 24.173 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | THR | 0 | 0.060 | 0.054 | 24.717 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | ILE | 0 | -0.006 | 0.010 | 26.761 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | GLY | 0 | 0.011 | -0.003 | 24.386 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | SER | 0 | 0.025 | -0.022 | 21.989 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | CYS | 0 | -0.026 | 0.025 | 22.880 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | LYS | 1 | 0.952 | 0.979 | 24.316 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | ALA | 0 | 0.025 | 0.004 | 19.400 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | PHE | 0 | 0.044 | 0.022 | 20.481 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | LEU | 0 | -0.007 | 0.013 | 21.805 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | GLU | -1 | -0.802 | -0.863 | 20.637 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | PHE | 0 | -0.049 | -0.037 | 15.083 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | THR | 0 | -0.087 | -0.049 | 18.467 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | LYS | 1 | 0.889 | 0.947 | 17.877 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | ASN | 0 | 0.049 | 0.043 | 22.752 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | THR | 0 | -0.021 | -0.025 | 26.001 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | THR | 0 | -0.001 | -0.015 | 28.627 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | ALA | 0 | -0.012 | 0.008 | 29.816 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | THR | 0 | 0.034 | 0.017 | 31.566 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | SER | 0 | -0.071 | -0.040 | 33.493 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | LEU | 0 | -0.002 | 0.002 | 27.375 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | VAL | 0 | -0.019 | -0.002 | 30.635 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | GLN | 0 | 0.035 | 0.001 | 26.711 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | GLU | -1 | -0.769 | -0.865 | 26.987 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | CYS | 0 | -0.014 | 0.005 | 26.548 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | LYS | 1 | 0.956 | 0.995 | 26.035 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | ILE | 0 | -0.006 | 0.008 | 29.731 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | GLY | 0 | -0.001 | 0.011 | 31.635 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | ALA | 0 | -0.011 | -0.020 | 31.583 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | VAL | 0 | -0.022 | -0.015 | 31.031 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | PRO | 0 | -0.028 | -0.020 | 31.995 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | ILE | 0 | -0.012 | 0.002 | 28.966 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | THR | 0 | -0.027 | -0.009 | 33.209 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | ILE | 0 | -0.005 | -0.014 | 30.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | ASN | 0 | -0.010 | -0.014 | 33.813 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | GLU | -1 | -0.883 | -0.930 | 35.397 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | GLY | 0 | -0.040 | -0.023 | 31.766 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | LEU | 0 | -0.049 | -0.011 | 32.151 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | ILE | 0 | 0.016 | -0.001 | 28.493 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | SER | 0 | -0.020 | -0.011 | 32.670 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | PHE | 0 | 0.046 | 0.033 | 32.010 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | LYS | 1 | 0.957 | 0.979 | 35.080 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | ALA | 0 | -0.004 | -0.014 | 36.400 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | PRO | 0 | -0.045 | -0.013 | 34.795 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | MET | 0 | -0.015 | -0.015 | 37.929 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | ALA | 0 | 0.009 | -0.001 | 39.827 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | ASP | -1 | -0.894 | -0.930 | 42.607 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | TYR | 0 | -0.033 | -0.045 | 45.342 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | GLU | -1 | -0.827 | -0.894 | 48.093 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | SER | 0 | -0.044 | -0.009 | 50.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | ILE | 0 | 0.045 | 0.017 | 48.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | SER | 0 | 0.032 | 0.019 | 52.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | SER | 0 | 0.062 | -0.004 | 54.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | GLU | -1 | -0.928 | -0.965 | 56.731 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | MET | 0 | 0.017 | 0.016 | 50.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | ILE | 0 | -0.034 | -0.004 | 52.143 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | ALA | 0 | 0.034 | 0.023 | 53.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | ASP | -1 | -0.917 | -0.954 | 52.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | TYR | 0 | 0.005 | -0.036 | 46.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | GLU | -1 | -0.837 | -0.926 | 50.036 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | LYS | 1 | 0.923 | 0.962 | 52.469 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | ALA | 0 | -0.045 | -0.020 | 47.399 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | ILE | 0 | -0.025 | -0.009 | 45.731 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | GLY | 0 | -0.020 | -0.002 | 48.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | LEU | 0 | -0.042 | -0.032 | 49.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | LYS | 1 | 0.890 | 0.963 | 53.206 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | PHE | 0 | 0.004 | -0.010 | 49.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | ILE | 0 | -0.031 | -0.005 | 53.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | LYS | 1 | 0.883 | 0.938 | 53.719 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | PRO | 0 | 0.026 | 0.006 | 54.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | PRO | 0 | 0.014 | 0.038 | 49.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | ALA | 0 | -0.019 | -0.002 | 49.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | LEU | 0 | -0.005 | 0.007 | 43.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | LEU | 0 | -0.079 | -0.040 | 43.454 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | HIS | 1 | 0.810 | 0.902 | 41.545 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | THR | 0 | 0.001 | -0.017 | 37.603 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | GLY | 0 | 0.009 | 0.002 | 35.518 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | PRO | 0 | -0.051 | -0.018 | 34.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | GLU | -1 | -0.808 | -0.893 | 37.042 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | TRP | 0 | 0.021 | -0.004 | 35.556 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | ILE | 0 | 0.017 | 0.028 | 41.640 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | VAL | 0 | 0.000 | 0.000 | 43.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | ALA | 0 | 0.004 | 0.001 | 45.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | LEU | 0 | -0.023 | -0.005 | 47.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | VAL | 0 | 0.027 | 0.008 | 49.016 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | GLU | -1 | -0.898 | -0.953 | 51.738 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | ASP | -1 | -0.843 | -0.947 | 51.738 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | ALA | 0 | 0.004 | -0.009 | 47.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | GLU | -1 | -0.914 | -0.943 | 47.280 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | THR | 0 | -0.020 | -0.014 | 48.742 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | CYS | 0 | -0.077 | -0.020 | 44.912 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | PHE | 0 | -0.015 | -0.006 | 41.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | ASN | 0 | 0.006 | -0.013 | 44.510 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | ALA | 0 | 0.031 | 0.040 | 45.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | ASN | 0 | 0.004 | 0.011 | 45.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | PRO | 0 | 0.034 | 0.034 | 43.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | ASN | 0 | 0.006 | 0.002 | 44.959 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | PHE | 0 | 0.059 | 0.004 | 40.134 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | ALA | 0 | 0.030 | 0.018 | 42.716 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | MET | 0 | -0.031 | -0.009 | 44.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | LEU | 0 | 0.043 | 0.028 | 42.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | ALA | 0 | -0.020 | 0.012 | 40.970 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | HIS | 0 | -0.004 | -0.005 | 42.378 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | GLN | 0 | 0.006 | -0.015 | 45.577 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | THR | 0 | -0.025 | -0.016 | 42.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | LYS | 1 | 0.951 | 0.973 | 40.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | GLN | 0 | -0.058 | -0.024 | 43.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | ASN | 0 | -0.065 | -0.054 | 46.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | ASP | -1 | -0.957 | -0.963 | 41.941 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | HIS | 0 | 0.043 | 0.046 | 42.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | VAL | 0 | -0.048 | -0.031 | 35.794 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | GLY | 0 | 0.008 | -0.022 | 38.809 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | ILE | 0 | -0.040 | -0.007 | 40.827 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | ILE | 0 | -0.024 | 0.009 | 38.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | LEU | 0 | -0.019 | -0.012 | 42.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | ALA | 0 | 0.040 | -0.010 | 43.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | GLY | 0 | 0.040 | 0.022 | 45.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | PRO | 0 | -0.041 | 0.001 | 47.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | LYS | 1 | 0.953 | 0.957 | 43.539 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | LYS | 1 | 0.893 | 0.935 | 49.826 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | GLU | -1 | -0.945 | -0.953 | 53.046 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | ALA | 0 | -0.018 | 0.002 | 48.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | ALA | 0 | -0.003 | -0.006 | 49.729 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ILE | 0 | -0.015 | 0.000 | 45.206 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | LYS | 1 | 1.010 | 0.990 | 49.183 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | ASN | 0 | -0.008 | -0.009 | 48.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | SER | 0 | 0.044 | 0.028 | 45.899 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | TYR | 0 | -0.058 | -0.028 | 44.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | GLU | -1 | -0.846 | -0.889 | 41.658 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | MET | 0 | -0.029 | -0.024 | 37.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | ARG | 1 | 0.760 | 0.870 | 39.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | ALA | 0 | 0.074 | 0.040 | 36.698 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | PHE | 0 | -0.037 | -0.021 | 37.558 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | ALA | 0 | 0.058 | 0.022 | 35.427 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | PRO | 0 | -0.014 | -0.014 | 36.183 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | VAL | 0 | 0.018 | 0.033 | 37.213 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | ILE | 0 | -0.057 | -0.021 | 32.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | ASN | 0 | -0.072 | -0.050 | 32.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | VAL | 0 | 0.027 | 0.025 | 30.940 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | TYR | 0 | -0.044 | -0.017 | 33.578 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | GLU | -1 | -0.792 | -0.929 | 35.438 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | ASP | -1 | -0.883 | -0.936 | 31.629 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | PRO | 0 | -0.038 | -0.008 | 30.612 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | VAL | 0 | -0.005 | -0.004 | 31.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | CYS | 0 | -0.013 | 0.031 | 31.798 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | GLY | 0 | 0.070 | 0.018 | 32.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | SER | 0 | 0.006 | 0.010 | 33.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | GLY | 0 | 0.119 | 0.040 | 35.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | SER | 0 | -0.023 | -0.022 | 36.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | VAL | 0 | -0.005 | 0.007 | 37.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | ALA | 0 | -0.003 | 0.015 | 39.974 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | LEU | 0 | 0.043 | 0.015 | 41.887 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | ALA | 0 | -0.003 | -0.011 | 42.862 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | ARG | 1 | 0.851 | 0.909 | 44.044 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | TYR | 0 | -0.060 | -0.051 | 45.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | LEU | 0 | 0.013 | -0.003 | 46.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | GLN | 0 | 0.015 | 0.026 | 48.646 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | GLU | -1 | -0.900 | -0.941 | 50.432 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | VAL | 0 | -0.038 | -0.020 | 52.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | TYR | 0 | -0.056 | -0.041 | 52.268 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | LYS | 1 | 0.857 | 0.953 | 54.093 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | PHE | 0 | 0.034 | 0.024 | 50.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | GLU | -1 | -0.883 | -0.955 | 54.090 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | LYS | 1 | 0.903 | 0.953 | 53.211 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | THR | 0 | 0.018 | -0.004 | 47.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | THR | 0 | -0.066 | -0.024 | 48.537 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | ASP | -1 | -0.826 | -0.860 | 44.501 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | ILE | 0 | -0.050 | -0.032 | 43.880 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | THR | 0 | 0.003 | 0.007 | 42.000 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | ILE | 0 | -0.013 | -0.018 | 39.778 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | SER | 0 | -0.013 | -0.023 | 39.176 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | GLU | -1 | -0.754 | -0.890 | 36.501 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | GLY | 0 | 0.106 | 0.065 | 35.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | GLY | 0 | 0.016 | 0.010 | 36.058 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | ARG | 1 | 0.800 | 0.894 | 38.446 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | LEU | 0 | -0.058 | -0.024 | 33.540 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | LYS | 1 | 0.863 | 0.932 | 33.823 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | ARG | 1 | 0.865 | 0.935 | 27.670 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | ASN | 0 | -0.075 | -0.049 | 33.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | GLY | 0 | 0.040 | 0.032 | 33.706 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | LEU | 0 | -0.043 | -0.035 | 34.541 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | MET | 0 | -0.067 | -0.027 | 34.843 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | LEU | 0 | -0.022 | -0.002 | 37.035 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | ALA | 0 | 0.030 | 0.009 | 38.837 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | SER | 0 | -0.037 | -0.057 | 40.959 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | ILE | 0 | -0.031 | -0.008 | 43.275 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | LYS | 1 | 0.936 | 0.955 | 44.322 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | LYS | 1 | 0.837 | 0.895 | 46.833 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | GLU | -1 | -0.836 | -0.912 | 45.211 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | ALA | 0 | -0.014 | -0.013 | 49.670 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | ASP | -1 | -0.908 | -0.951 | 50.257 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | ASN | 0 | -0.046 | -0.024 | 53.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | SER | 0 | -0.002 | 0.020 | 49.504 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | THR | 0 | -0.023 | -0.009 | 47.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | SER | 0 | -0.057 | -0.030 | 43.075 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | TYR | 0 | 0.066 | 0.023 | 41.678 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | TYR | 0 | -0.017 | -0.001 | 38.490 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | ILE | 0 | 0.011 | 0.011 | 34.567 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | ALA | 0 | -0.001 | -0.011 | 34.786 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | GLY | 0 | 0.018 | 0.002 | 33.178 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | HIS | 0 | 0.077 | 0.060 | 31.711 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | ALA | 0 | -0.018 | -0.021 | 26.375 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | THR | 0 | -0.035 | -0.009 | 25.931 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | THR | 0 | -0.013 | -0.046 | 19.609 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | VAL | 0 | -0.046 | -0.006 | 21.284 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | ILE | 0 | -0.031 | -0.014 | 15.287 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | ASP | -1 | -0.823 | -0.911 | 16.250 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | GLY | 0 | 0.029 | 0.017 | 12.383 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | LYS | 1 | 0.893 | 0.948 | 7.246 | 0.706 | 0.706 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | ILE | 0 | 0.024 | 0.021 | 7.726 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | LYS | 1 | 0.925 | 0.959 | 1.887 | -4.108 | -5.243 | 5.054 | -1.105 | -2.813 | 0.009 |
293 | A | 294 | VAL | 0 | -0.008 | 0.005 | 4.680 | 0.380 | 0.493 | -0.001 | -0.011 | -0.101 | 0.000 |
294 | A | 295 | HIS | 0 | 0.043 | 0.029 | 5.186 | -0.812 | -0.763 | -0.001 | -0.002 | -0.046 | 0.000 |