FMODB ID: 664MZ
Calculation Name: 3V10-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3V10
Chain ID: A
UniProt ID: Q83VG5
Base Structure: X-ray
Registration Date: 2023-03-14
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 | 318 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4355873.920224 |
---|---|
FMO2-HF: Nuclear repulsion | 4231529.60281 |
FMO2-HF: Total energy | -124344.317414 |
FMO2-MP2: Total energy | -124706.396208 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:30:DAL)
Summations of interaction energy for
fragment #1(A:30:DAL)
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. |
-13.128 | -5.667 | 2.617 | -4.48 | -5.598 | -0.025 |
Interaction energy analysis for fragmet #1(A:30:DAL)
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 | 32 | ASP | -1 | -0.783 | -0.872 | 3.843 | -3.689 | -1.874 | -0.007 | -0.815 | -0.993 | 0.003 |
4 | A | 33 | TYR | 0 | -0.060 | -0.077 | 6.197 | 0.884 | 0.884 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 34 | THR | 0 | 0.056 | 0.018 | 8.948 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 35 | ASN | 0 | -0.052 | -0.031 | 11.476 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 36 | GLU | -1 | -0.897 | -0.919 | 10.480 | -0.654 | -0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 37 | ALA | 0 | -0.005 | -0.008 | 13.420 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 38 | ILE | 0 | -0.021 | -0.012 | 10.973 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 39 | PHE | 0 | -0.004 | -0.009 | 12.343 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 40 | THR | 0 | -0.029 | -0.016 | 17.355 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 41 | GLN | 0 | -0.030 | -0.019 | 20.474 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 42 | PHE | 0 | 0.031 | 0.005 | 21.066 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 43 | ASP | -1 | -0.885 | -0.926 | 23.125 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 44 | VAL | 0 | 0.007 | 0.014 | 25.521 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 45 | ASN | 0 | -0.075 | -0.014 | 27.648 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 46 | PRO | 0 | 0.078 | 0.027 | 29.888 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 47 | LYS | 1 | 0.959 | 0.982 | 31.266 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 48 | GLY | 0 | -0.030 | -0.016 | 34.186 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 49 | LEU | 0 | -0.034 | -0.023 | 35.838 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 50 | ILE | 0 | -0.008 | -0.003 | 32.118 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 51 | ASN | 0 | 0.000 | -0.017 | 36.418 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 52 | ASN | 0 | 0.069 | 0.071 | 37.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 53 | PRO | 0 | 0.003 | -0.003 | 33.688 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 54 | SER | 0 | -0.057 | -0.052 | 33.858 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 55 | GLN | 0 | 0.096 | 0.051 | 34.183 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 56 | PRO | 0 | -0.026 | -0.011 | 28.749 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 57 | ILE | 0 | -0.030 | -0.001 | 27.698 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 58 | GLU | -1 | -0.953 | -0.988 | 26.479 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 59 | PHE | 0 | -0.006 | -0.007 | 22.296 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 60 | ASN | 0 | -0.044 | -0.017 | 22.871 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 61 | LEU | 0 | 0.009 | -0.001 | 15.945 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 62 | ALA | 0 | 0.025 | 0.023 | 19.031 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 63 | PHE | 0 | -0.007 | -0.006 | 12.743 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 64 | SER | 0 | 0.000 | -0.011 | 15.558 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 65 | ASP | -1 | -0.804 | -0.881 | 13.466 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 66 | MET | 0 | -0.055 | -0.020 | 14.464 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 67 | ASN | 0 | 0.007 | -0.022 | 12.899 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 68 | ASN | 0 | 0.021 | 0.009 | 15.854 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 69 | GLY | 0 | -0.036 | -0.010 | 19.100 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 70 | GLN | 0 | -0.035 | -0.023 | 16.661 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 71 | LYS | 1 | 0.933 | 0.970 | 15.932 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 72 | VAL | 0 | 0.006 | 0.028 | 10.493 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 73 | LYS | 1 | 0.812 | 0.886 | 9.824 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 74 | PHE | 0 | 0.058 | 0.038 | 7.760 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 75 | LYS | 1 | 0.909 | 0.949 | 4.271 | -0.231 | -0.151 | -0.001 | -0.006 | -0.073 | 0.000 |
47 | A | 76 | PRO | 0 | -0.003 | 0.011 | 5.295 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 77 | GLY | 0 | 0.027 | 0.021 | 3.595 | 0.701 | 1.187 | 0.013 | -0.142 | -0.357 | -0.001 |
49 | A | 78 | ASP | -1 | -0.844 | -0.923 | 2.343 | -9.341 | -5.045 | 2.250 | -3.505 | -3.040 | -0.029 |
50 | A | 79 | PHE | 0 | -0.022 | -0.012 | 2.567 | 0.283 | 1.067 | 0.362 | -0.012 | -1.135 | 0.002 |
51 | A | 80 | PHE | 0 | -0.028 | -0.005 | 5.918 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 81 | ASP | -1 | -0.851 | -0.911 | 9.169 | -1.354 | -1.354 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 82 | LEU | 0 | -0.020 | -0.007 | 11.729 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 83 | THR | 0 | -0.041 | -0.037 | 15.456 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 84 | LEU | 0 | -0.036 | -0.006 | 17.981 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 85 | PRO | 0 | -0.025 | -0.007 | 21.464 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 86 | SER | 0 | -0.004 | -0.017 | 24.291 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 87 | ASN | 0 | 0.022 | 0.024 | 26.643 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 88 | ASP | -1 | -0.903 | -0.960 | 29.203 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 89 | GLU | -1 | -0.875 | -0.914 | 31.379 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 90 | VAL | 0 | -0.010 | -0.007 | 30.292 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 91 | SER | 0 | 0.018 | 0.003 | 26.115 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 92 | LEU | 0 | -0.006 | 0.011 | 25.096 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 93 | ARG | 1 | 0.865 | 0.931 | 22.828 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 94 | SER | 0 | 0.048 | 0.021 | 20.575 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 95 | LEU | 0 | 0.004 | 0.005 | 22.672 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 96 | ARG | 1 | 0.893 | 0.959 | 21.283 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 97 | ALA | 0 | 0.055 | 0.040 | 22.995 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 98 | MET | 0 | 0.013 | 0.007 | 18.640 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 99 | GLY | 0 | 0.002 | 0.005 | 16.460 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 100 | SER | 0 | -0.059 | -0.046 | 17.387 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 101 | LYS | 1 | 0.937 | 0.974 | 13.636 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 102 | MET | 0 | -0.071 | -0.020 | 16.261 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 103 | PRO | 0 | 0.004 | 0.021 | 16.085 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 104 | VAL | 0 | 0.029 | 0.018 | 14.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 105 | LEU | 0 | -0.040 | -0.023 | 16.044 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 106 | ALA | 0 | 0.037 | 0.033 | 17.703 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 107 | LYS | 1 | 0.856 | 0.905 | 19.463 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 108 | ASP | -1 | -0.764 | -0.865 | 22.265 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 109 | LYS | 1 | 0.833 | 0.890 | 24.924 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 110 | ASN | 0 | -0.084 | -0.046 | 27.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 111 | GLY | 0 | 0.005 | 0.001 | 28.060 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 112 | LYS | 1 | 0.823 | 0.909 | 22.886 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 113 | GLU | -1 | -0.869 | -0.943 | 22.272 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 114 | ILE | 0 | -0.043 | 0.003 | 16.354 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 115 | THR | 0 | 0.052 | 0.012 | 14.651 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 116 | LEU | 0 | 0.024 | 0.051 | 13.272 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 117 | GLY | 0 | 0.033 | 0.030 | 11.175 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 118 | GLU | -1 | -0.978 | -0.978 | 11.062 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 119 | LEU | 0 | 0.011 | 0.005 | 11.524 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 120 | THR | 0 | -0.002 | -0.015 | 12.016 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 121 | PHE | 0 | -0.016 | -0.010 | 14.135 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 122 | ASN | 0 | -0.005 | -0.017 | 13.421 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 123 | GLY | 0 | 0.061 | 0.033 | 17.367 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 124 | SER | 0 | 0.017 | -0.009 | 20.486 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 125 | HIS | 0 | -0.022 | 0.005 | 14.868 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 126 | ILE | 0 | -0.018 | -0.013 | 14.998 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 127 | HIS | 0 | -0.039 | -0.028 | 6.473 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 128 | PHE | 0 | 0.024 | 0.006 | 9.218 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 129 | GLU | -1 | -0.863 | -0.936 | 5.432 | -1.035 | -1.035 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 130 | PHE | 0 | -0.023 | -0.013 | 6.430 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 131 | MET | 0 | -0.008 | -0.009 | 7.408 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 132 | GLU | -1 | -0.871 | -0.967 | 10.038 | 0.568 | 0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 133 | ASP | -1 | -0.883 | -0.962 | 10.943 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 134 | VAL | 0 | -0.017 | -0.048 | 8.706 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 135 | LEU | 0 | -0.144 | -0.068 | 8.972 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 136 | GLN | 0 | -0.054 | -0.016 | 12.509 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 137 | LEU | 0 | -0.053 | -0.028 | 15.603 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 138 | GLU | -1 | -0.981 | -0.964 | 15.387 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 139 | ASN | 0 | -0.127 | -0.091 | 16.405 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 140 | VAL | 0 | 0.015 | 0.024 | 12.902 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 141 | THR | 0 | -0.043 | -0.027 | 15.852 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 142 | GLY | 0 | 0.061 | 0.021 | 16.542 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 143 | THR | 0 | -0.067 | -0.019 | 17.503 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 144 | ILE | 0 | -0.005 | -0.008 | 14.543 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 145 | ASN | 0 | -0.033 | -0.025 | 19.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 146 | LEU | 0 | -0.017 | -0.007 | 19.101 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 147 | LYS | 1 | 0.861 | 0.940 | 22.046 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 148 | SER | 0 | -0.046 | -0.035 | 23.860 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 149 | VAL | 0 | 0.042 | 0.022 | 25.605 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 150 | TYR | 0 | 0.003 | -0.003 | 27.476 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 151 | ASP | -1 | -0.852 | -0.903 | 29.436 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 152 | ASN | 0 | 0.081 | -0.001 | 31.697 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 153 | ALA | 0 | -0.017 | -0.002 | 34.379 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 154 | TYR | 0 | -0.065 | -0.035 | 36.048 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 155 | ARG | 1 | 0.833 | 0.890 | 37.526 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 156 | GLY | 0 | 0.026 | 0.026 | 42.332 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 157 | GLU | -1 | -0.898 | -0.948 | 44.549 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 158 | ASP | -1 | -0.946 | -0.955 | 46.146 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 159 | ASP | -1 | -0.850 | -0.903 | 44.344 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 160 | LYS | 1 | 0.818 | 0.897 | 38.059 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 161 | ILE | 0 | -0.021 | -0.013 | 37.461 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 162 | ALA | 0 | -0.005 | 0.005 | 33.418 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 163 | GLU | -1 | -0.947 | -0.984 | 33.343 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 164 | LEU | 0 | -0.041 | -0.032 | 28.101 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 165 | PRO | 0 | -0.022 | -0.021 | 28.219 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 166 | THR | 0 | 0.031 | -0.008 | 23.013 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 167 | ASN | 0 | 0.051 | 0.026 | 20.925 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 168 | LEU | 0 | -0.007 | -0.004 | 18.528 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 169 | GLY | 0 | 0.026 | 0.022 | 17.278 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 170 | LEU | 0 | -0.002 | 0.013 | 14.331 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 171 | GLY | 0 | -0.008 | -0.016 | 16.748 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 172 | SER | 0 | -0.031 | -0.014 | 17.412 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 173 | LEU | 0 | -0.064 | -0.020 | 19.014 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 174 | ASP | -1 | -0.896 | -0.937 | 21.451 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 175 | LYS | 1 | 0.866 | 0.919 | 23.745 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 176 | GLN | 0 | -0.003 | -0.006 | 25.890 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 177 | MET | 0 | -0.065 | -0.001 | 28.167 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 178 | ILE | 0 | 0.001 | 0.026 | 27.048 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 179 | THR | 0 | 0.023 | 0.003 | 31.263 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 180 | ILE | 0 | 0.038 | 0.019 | 30.685 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 181 | SER | 0 | 0.015 | 0.008 | 35.150 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 182 | GLN | 0 | -0.108 | -0.063 | 36.482 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 183 | PRO | 0 | -0.035 | -0.013 | 39.298 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 184 | GLY | 0 | 0.063 | 0.035 | 42.775 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 185 | THR | 0 | -0.082 | -0.045 | 44.737 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 186 | PRO | 0 | -0.020 | -0.019 | 47.105 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 187 | THR | 0 | -0.007 | -0.018 | 50.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 188 | GLY | 0 | -0.032 | 0.003 | 52.098 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 189 | VAL | 0 | -0.037 | -0.034 | 49.761 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 190 | GLU | -1 | -0.888 | -0.934 | 52.001 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 191 | PRO | 0 | 0.012 | 0.014 | 53.128 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 192 | SER | 0 | -0.009 | -0.004 | 52.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 193 | PRO | 0 | 0.022 | -0.001 | 54.361 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 194 | ILE | 0 | -0.038 | -0.011 | 53.183 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 195 | PHE | 0 | 0.047 | 0.007 | 55.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 196 | TYR | 0 | 0.004 | -0.042 | 51.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 197 | TRP | 0 | -0.006 | -0.001 | 47.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 198 | LYS | 1 | 0.812 | 0.942 | 45.259 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 199 | THR | 0 | -0.034 | -0.028 | 42.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 200 | GLY | 0 | 0.054 | 0.008 | 40.546 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 201 | THR | 0 | -0.049 | -0.022 | 35.360 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 202 | PHE | 0 | 0.049 | 0.011 | 30.206 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 203 | SER | 0 | 0.058 | 0.046 | 32.690 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 204 | THR | 0 | -0.051 | -0.040 | 28.976 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 205 | GLU | -1 | -0.963 | -0.977 | 28.838 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 206 | VAL | 0 | -0.029 | -0.008 | 30.297 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 207 | HIS | 0 | 0.011 | -0.015 | 25.091 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 208 | GLY | 0 | -0.017 | -0.015 | 28.536 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 209 | ASP | -1 | -0.749 | -0.842 | 30.706 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 210 | MET | 0 | -0.058 | -0.029 | 33.348 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 211 | ASN | 0 | -0.027 | -0.005 | 36.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 212 | TRP | 0 | -0.022 | -0.035 | 38.719 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 213 | TRP | 0 | 0.017 | 0.010 | 38.834 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 214 | LEU | 0 | -0.060 | -0.025 | 45.261 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 215 | ASN | 0 | -0.023 | -0.019 | 47.050 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 216 | ILE | 0 | 0.016 | -0.004 | 50.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 217 | ASN | 0 | 0.034 | 0.039 | 54.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 218 | SER | 0 | 0.038 | 0.038 | 53.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 219 | PRO | 0 | -0.039 | -0.008 | 55.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 220 | LYS | 1 | 0.736 | 0.882 | 56.205 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 221 | GLU | -1 | -0.804 | -0.926 | 60.486 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 222 | ALA | 0 | -0.043 | -0.013 | 63.247 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 223 | VAL | 0 | 0.038 | 0.019 | 62.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 224 | GLN | 0 | -0.058 | -0.043 | 65.829 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 225 | SER | 0 | -0.076 | -0.062 | 65.781 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 226 | ASP | -1 | -0.847 | -0.898 | 64.151 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 227 | VAL | 0 | 0.016 | 0.005 | 58.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 228 | LYS | 1 | 0.935 | 0.970 | 58.896 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 229 | VAL | 0 | 0.038 | 0.015 | 52.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 230 | ILE | 0 | -0.033 | -0.015 | 53.908 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 231 | ASP | -1 | -0.774 | -0.880 | 47.871 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 232 | THR | 0 | -0.006 | -0.004 | 48.390 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 233 | ILE | 0 | -0.002 | -0.009 | 42.819 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 234 | GLY | 0 | -0.017 | -0.012 | 43.604 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 235 | GLU | -1 | -0.937 | -0.980 | 41.862 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 236 | GLY | 0 | 0.038 | 0.004 | 38.346 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 237 | HIS | 0 | -0.011 | 0.003 | 37.232 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 238 | LYS | 1 | 0.892 | 0.954 | 39.021 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 239 | LEU | 0 | 0.078 | 0.055 | 40.283 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 240 | VAL | 0 | -0.056 | -0.014 | 37.926 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 241 | ASP | -1 | -0.940 | -0.985 | 41.069 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 242 | GLY | 0 | 0.019 | 0.010 | 42.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 243 | SER | 0 | -0.029 | -0.013 | 41.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 244 | ILE | 0 | -0.019 | -0.002 | 43.378 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 245 | MET | 0 | -0.019 | 0.004 | 45.111 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 246 | VAL | 0 | -0.053 | -0.041 | 47.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 247 | ASP | -1 | -0.827 | -0.873 | 47.710 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 248 | VAL | 0 | -0.038 | -0.033 | 50.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 249 | GLU | -1 | -0.826 | -0.905 | 54.046 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 250 | ALA | 0 | 0.051 | 0.010 | 55.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 251 | ASN | 0 | -0.075 | -0.047 | 59.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 252 | GLY | 0 | 0.009 | 0.005 | 58.834 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 253 | GLU | -1 | -0.957 | -0.949 | 56.654 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 254 | LEU | 0 | 0.030 | 0.012 | 50.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 255 | LYS | 1 | 0.864 | 0.938 | 53.039 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 256 | HIS | 0 | -0.015 | -0.024 | 45.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 257 | ILE | 0 | -0.054 | -0.033 | 50.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 258 | SER | 0 | 0.089 | 0.031 | 49.531 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 259 | ALA | 0 | 0.077 | 0.035 | 49.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 260 | GLU | -1 | -0.869 | -0.945 | 50.643 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 261 | ALA | 0 | -0.079 | -0.051 | 53.669 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 262 | PHE | 0 | 0.080 | 0.042 | 54.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 263 | ASN | 0 | 0.020 | -0.010 | 54.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 264 | LYS | 1 | 0.797 | 0.918 | 56.468 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 265 | GLU | -1 | -0.975 | -0.978 | 58.833 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 266 | TYR | 0 | -0.002 | -0.014 | 58.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 267 | GLY | 0 | 0.028 | 0.006 | 59.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 268 | THR | 0 | -0.076 | -0.021 | 58.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 269 | ILE | 0 | 0.022 | 0.017 | 51.527 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 270 | THR | 0 | -0.037 | -0.018 | 54.364 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 271 | VAL | 0 | 0.032 | 0.001 | 48.118 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 272 | GLU | -1 | -0.929 | -0.953 | 51.472 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 273 | GLY | 0 | -0.037 | -0.017 | 48.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 274 | GLN | 0 | -0.084 | -0.054 | 43.211 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 275 | VAL | 0 | -0.021 | 0.001 | 47.643 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 276 | LEU | 0 | 0.046 | 0.042 | 47.719 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 277 | THR | 0 | -0.052 | -0.034 | 50.873 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 278 | VAL | 0 | 0.024 | 0.018 | 52.562 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 279 | MET | 0 | -0.037 | -0.023 | 55.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 280 | ILE | 0 | 0.012 | 0.008 | 56.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 281 | PRO | 0 | 0.014 | 0.012 | 60.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 282 | LYS | 1 | 0.972 | 0.994 | 64.193 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 283 | GLU | -1 | -0.980 | -1.003 | 65.883 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 284 | LYS | 1 | 0.828 | 0.930 | 61.999 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 285 | ALA | 0 | 0.045 | 0.020 | 61.013 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 286 | ALA | 0 | -0.030 | -0.014 | 61.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 287 | LYS | 1 | 0.875 | 0.930 | 62.698 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 288 | THR | 0 | -0.008 | 0.003 | 58.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 289 | THR | 0 | -0.044 | -0.026 | 53.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 290 | PHE | 0 | -0.034 | -0.021 | 54.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 291 | THR | 0 | 0.027 | 0.014 | 47.660 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 292 | VAL | 0 | -0.017 | 0.002 | 48.494 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 293 | THR | 0 | 0.014 | 0.010 | 43.722 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 294 | TYR | 0 | -0.038 | -0.026 | 43.304 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 295 | ASP | -1 | -0.772 | -0.876 | 38.238 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 296 | THR | 0 | -0.060 | -0.043 | 38.662 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 297 | ARG | 1 | 0.833 | 0.879 | 34.361 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 298 | ALA | 0 | -0.001 | 0.000 | 32.973 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 299 | PHE | 0 | -0.051 | -0.033 | 34.052 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 300 | ASP | -1 | -0.906 | -0.939 | 34.516 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 301 | LYS | 1 | 0.821 | 0.904 | 27.800 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 302 | LYS | 1 | 0.984 | 0.986 | 26.743 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 303 | LEU | 0 | 0.025 | 0.054 | 31.796 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 304 | GLU | -1 | -0.892 | -0.951 | 33.702 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 305 | ASN | 0 | -0.029 | -0.018 | 34.725 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 306 | TYR | 0 | -0.006 | -0.009 | 32.993 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 307 | LYS | 1 | 0.965 | 0.964 | 38.416 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 308 | ASN | 0 | 0.027 | -0.006 | 42.047 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 309 | SER | 0 | -0.017 | 0.010 | 44.860 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 310 | SER | 0 | 0.010 | -0.002 | 48.465 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 311 | THR | 0 | -0.031 | -0.006 | 51.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 312 | ILE | 0 | 0.013 | -0.003 | 55.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 313 | GLU | -1 | -0.950 | -0.963 | 57.498 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 314 | TYR | 0 | 0.036 | 0.003 | 59.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 315 | LYS | 1 | 0.937 | 0.982 | 63.588 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 316 | ASP | -1 | -0.726 | -0.871 | 64.548 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 317 | GLU | -1 | -0.949 | -0.985 | 65.759 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 318 | SER | 0 | -0.088 | -0.040 | 67.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 319 | GLY | 0 | -0.069 | -0.034 | 69.370 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 320 | ASN | 0 | -0.090 | -0.045 | 68.326 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 321 | LEU | 0 | -0.060 | -0.027 | 66.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 322 | VAL | 0 | 0.029 | 0.024 | 60.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 323 | THR | 0 | -0.019 | -0.026 | 61.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 324 | ASP | -1 | -0.940 | -0.967 | 60.306 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 325 | THR | 0 | -0.007 | 0.000 | 55.013 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 326 | PRO | 0 | -0.005 | 0.000 | 54.022 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 327 | LYS | 1 | 1.030 | 1.000 | 50.966 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 328 | HIS | 0 | -0.055 | -0.009 | 48.834 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 329 | TYR | 0 | 0.024 | 0.006 | 48.466 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 330 | THR | 0 | 0.008 | 0.002 | 49.641 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 331 | ASP | -1 | -0.833 | -0.900 | 47.418 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 332 | THR | 0 | -0.020 | -0.010 | 42.385 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 333 | SER | 0 | -0.099 | -0.059 | 40.045 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 334 | VAL | 0 | 0.014 | 0.038 | 34.415 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 335 | VAL | 0 | 0.023 | 0.007 | 32.343 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 336 | ASN | 0 | -0.039 | -0.031 | 29.570 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 337 | MET | 0 | 0.037 | 0.020 | 29.147 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 338 | PHE | 0 | -0.067 | -0.037 | 26.409 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 339 | ASP | -1 | -0.805 | -0.893 | 21.193 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 340 | ASP | -1 | -0.946 | -0.960 | 22.173 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 341 | ALA | 0 | 0.055 | 0.011 | 17.514 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 342 | THR | 0 | -0.085 | -0.028 | 19.055 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 343 | ILE | 0 | 0.072 | 0.020 | 13.345 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 344 | GLY | 0 | -0.048 | -0.019 | 17.635 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 345 | GLY | 0 | 0.064 | -0.009 | 18.159 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 346 | GLU | -1 | -0.875 | -0.893 | 19.495 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 347 | MET | 0 | 0.002 | 0.001 | 19.369 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |