FMODB ID: 2NN8R
Calculation Name: 5IL7-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5IL7
Chain ID: A
UniProt ID: Q8KC98
Base Structure: X-ray
Registration Date: 2023-09-21
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 | 440 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7033561.760401 |
---|---|
FMO2-HF: Nuclear repulsion | 6866766.124583 |
FMO2-HF: Total energy | -166795.635819 |
FMO2-MP2: Total energy | -167289.870598 |
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:2:SER)
Summations of interaction energy for
fragment #1(A:2:SER)
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. |
-38.305 | -40.099 | 24.308 | -13.395 | -9.121 | -0.057 |
Interaction energy analysis for fragmet #1(A:2:SER)
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 | LEU | 0 | 0.058 | 0.022 | 2.644 | -5.515 | -1.838 | 0.578 | -1.980 | -2.276 | 0.014 |
4 | A | 5 | ASP | -1 | -0.885 | -0.918 | 1.588 | -35.713 | -41.859 | 23.724 | -11.213 | -6.365 | -0.071 |
5 | A | 6 | VAL | 0 | -0.019 | -0.005 | 3.612 | 1.369 | 1.860 | 0.003 | -0.151 | -0.344 | 0.000 |
6 | A | 7 | ILE | 0 | 0.020 | 0.016 | 5.908 | 0.824 | 0.824 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | ARG | 1 | 0.818 | 0.895 | 7.073 | 1.510 | 1.510 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | GLN | 0 | -0.045 | -0.026 | 5.319 | 1.005 | 1.005 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | ILE | 0 | 0.037 | 0.025 | 9.938 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | GLU | -1 | -0.783 | -0.871 | 11.829 | -0.646 | -0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | GLN | 0 | -0.090 | -0.042 | 12.734 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | GLU | -1 | -0.894 | -0.944 | 13.930 | -0.460 | -0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | LEU | 0 | -0.015 | -0.012 | 15.718 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | GLY | 0 | -0.061 | -0.005 | 17.319 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | MET | 0 | -0.050 | -0.027 | 16.847 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | GLN | 0 | -0.084 | -0.039 | 15.582 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | LEU | 0 | -0.037 | -0.016 | 12.835 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | GLU | -1 | -0.872 | -0.946 | 13.570 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | PRO | 0 | -0.035 | -0.006 | 12.354 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | VAL | 0 | -0.015 | -0.005 | 14.096 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | ASP | -1 | -0.893 | -0.966 | 16.034 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | LYS | 1 | 0.847 | 0.911 | 18.470 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | LEU | 0 | 0.006 | 0.029 | 16.458 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | LYS | 1 | 0.947 | 0.973 | 19.554 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | TRP | 0 | 0.100 | 0.044 | 22.073 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | TYR | 0 | 0.033 | 0.012 | 24.037 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | SER | 0 | -0.040 | -0.012 | 19.128 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | LYS | 1 | 0.791 | 0.893 | 18.757 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | GLY | 0 | 0.063 | 0.015 | 15.200 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | TYR | 0 | -0.002 | 0.010 | 9.592 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | LYS | 1 | 0.894 | 0.958 | 12.836 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | LEU | 0 | -0.031 | -0.013 | 7.209 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | ASP | -1 | -0.850 | -0.916 | 9.691 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | LYS | 1 | 0.898 | 0.927 | 10.302 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | ASP | -1 | -0.943 | -0.962 | 8.263 | 0.882 | 0.882 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | GLN | 0 | -0.086 | -0.049 | 5.577 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | ARG | 1 | 0.863 | 0.923 | 3.611 | -1.079 | -0.895 | 0.003 | -0.051 | -0.136 | 0.000 |
38 | A | 39 | VAL | 0 | 0.010 | -0.005 | 6.921 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | THR | 0 | 0.016 | 0.016 | 9.203 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ALA | 0 | -0.025 | -0.009 | 12.606 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | ILE | 0 | 0.029 | 0.000 | 11.902 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | GLY | 0 | -0.032 | -0.005 | 14.826 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | LEU | 0 | 0.009 | -0.006 | 15.443 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | TYR | 0 | -0.005 | 0.009 | 19.251 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | ASP | -1 | -0.851 | -0.931 | 22.808 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | CYS | 0 | -0.067 | -0.026 | 20.995 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | GLY | 0 | 0.074 | 0.039 | 23.250 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | SER | 0 | -0.002 | 0.006 | 24.172 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | ASP | -1 | -0.860 | -0.924 | 23.152 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | THR | 0 | -0.012 | -0.016 | 19.046 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | LEU | 0 | -0.022 | -0.017 | 18.781 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | ASP | -1 | -0.907 | -0.956 | 18.701 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | ARG | 1 | 0.746 | 0.859 | 17.825 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | ILE | 0 | -0.011 | -0.008 | 13.618 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | ILE | 0 | 0.029 | 0.032 | 13.739 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | GLN | 0 | 0.051 | 0.020 | 12.374 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | PRO | 0 | -0.004 | -0.009 | 9.053 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | LEU | 0 | 0.028 | 0.024 | 9.253 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | GLU | -1 | -0.841 | -0.907 | 11.721 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | SER | 0 | -0.161 | -0.073 | 6.893 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | LEU | 0 | 0.001 | 0.006 | 6.261 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | LYS | 1 | 0.867 | 0.911 | 7.976 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | SER | 0 | 0.000 | 0.003 | 9.228 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | LEU | 0 | -0.027 | 0.001 | 11.092 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | SER | 0 | 0.045 | 0.034 | 12.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | GLU | -1 | -0.918 | -0.964 | 15.875 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | LEU | 0 | 0.046 | 0.014 | 16.340 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | SER | 0 | -0.060 | -0.019 | 18.443 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | LEU | 0 | 0.037 | 0.000 | 19.160 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | SER | 0 | -0.014 | 0.000 | 22.474 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | SER | 0 | -0.033 | -0.044 | 25.497 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | ASN | 0 | 0.026 | 0.019 | 22.800 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | GLN | 0 | -0.047 | -0.006 | 26.659 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | ILE | 0 | 0.015 | 0.009 | 23.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | THR | 0 | -0.003 | -0.016 | 27.491 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | ASP | -1 | -0.878 | -0.943 | 27.156 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | ILE | 0 | 0.043 | 0.007 | 24.566 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | SER | 0 | -0.016 | -0.014 | 24.335 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | PRO | 0 | 0.016 | -0.007 | 20.005 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | LEU | 0 | 0.022 | 0.010 | 19.194 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | ALA | 0 | -0.015 | 0.011 | 20.430 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | SER | 0 | -0.040 | -0.037 | 17.220 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | LEU | 0 | -0.033 | -0.006 | 14.715 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | ASN | 0 | -0.049 | -0.042 | 17.636 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | SER | 0 | -0.004 | -0.002 | 15.330 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | LEU | 0 | -0.067 | -0.018 | 16.918 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | SER | 0 | 0.014 | -0.007 | 18.809 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | MET | 0 | -0.027 | -0.003 | 20.440 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | LEU | 0 | 0.031 | 0.014 | 20.638 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | TRP | 0 | -0.015 | -0.009 | 20.631 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | LEU | 0 | 0.053 | 0.013 | 23.664 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | ASP | -1 | -0.790 | -0.846 | 26.539 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | ARG | 1 | 0.879 | 0.915 | 28.713 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | ASN | 0 | -0.025 | -0.020 | 26.200 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | GLN | 0 | -0.012 | -0.009 | 30.155 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | ILE | 0 | 0.030 | 0.023 | 27.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | THR | 0 | -0.018 | -0.020 | 31.670 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | ASP | -1 | -0.849 | -0.928 | 31.996 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | ILE | 0 | 0.027 | 0.004 | 29.965 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | ALA | 0 | 0.027 | 0.002 | 30.116 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | PRO | 0 | -0.049 | -0.020 | 25.611 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | LEU | 0 | 0.003 | -0.004 | 25.326 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | ALA | 0 | 0.029 | 0.028 | 26.895 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | SER | 0 | -0.047 | -0.028 | 23.953 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | LEU | 0 | -0.053 | -0.016 | 21.120 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | ASN | 0 | -0.003 | -0.011 | 22.456 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | SER | 0 | -0.004 | -0.004 | 21.463 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | LEU | 0 | -0.050 | -0.002 | 22.558 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | SER | 0 | -0.024 | -0.019 | 24.313 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | MET | 0 | -0.012 | 0.020 | 25.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | LEU | 0 | 0.048 | 0.006 | 25.339 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | TRP | 0 | -0.086 | -0.055 | 27.206 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | LEU | 0 | 0.020 | -0.007 | 28.405 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | PHE | 0 | -0.024 | 0.009 | 31.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | GLY | 0 | 0.028 | 0.021 | 32.704 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | ASN | 0 | -0.064 | -0.019 | 30.375 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | LYS | 1 | 0.865 | 0.919 | 34.388 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | ILE | 0 | 0.033 | 0.020 | 32.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | SER | 0 | 0.029 | 0.004 | 36.675 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | ASP | -1 | -0.859 | -0.931 | 37.749 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | ILE | 0 | 0.023 | -0.003 | 35.526 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | ALA | 0 | 0.024 | 0.001 | 36.051 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | PRO | 0 | -0.063 | -0.023 | 31.669 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | LEU | 0 | 0.025 | 0.012 | 30.646 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | GLU | -1 | -0.862 | -0.893 | 32.705 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | SER | 0 | -0.069 | -0.044 | 30.261 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | LEU | 0 | -0.016 | 0.002 | 27.456 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | LYS | 1 | 0.823 | 0.892 | 30.173 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | SER | 0 | -0.015 | 0.004 | 26.928 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | LEU | 0 | -0.049 | 0.001 | 27.955 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | THR | 0 | 0.013 | 0.003 | 29.645 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | GLU | -1 | -0.807 | -0.866 | 29.348 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | LEU | 0 | -0.008 | -0.016 | 30.137 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | GLN | 0 | 0.061 | 0.053 | 31.654 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | LEU | 0 | 0.053 | 0.013 | 32.836 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | SER | 0 | -0.052 | -0.044 | 35.503 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | SER | 0 | -0.051 | -0.046 | 36.840 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | ASN | 0 | -0.045 | -0.012 | 34.861 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | GLN | 0 | -0.056 | -0.030 | 38.761 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | ILE | 0 | 0.023 | 0.011 | 37.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | THR | 0 | -0.012 | -0.014 | 41.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | ASP | -1 | -0.864 | -0.935 | 43.627 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | ILE | 0 | 0.023 | 0.001 | 40.925 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | ALA | 0 | 0.026 | 0.003 | 41.751 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | PRO | 0 | -0.020 | -0.009 | 37.600 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | LEU | 0 | 0.045 | 0.015 | 36.507 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | ALA | 0 | 0.023 | 0.029 | 38.754 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | SER | 0 | -0.065 | -0.054 | 36.598 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | LEU | 0 | -0.040 | -0.016 | 33.452 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | LYS | 1 | 0.874 | 0.920 | 36.102 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | SER | 0 | -0.036 | -0.015 | 32.624 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | LEU | 0 | -0.045 | -0.011 | 33.184 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | THR | 0 | -0.031 | -0.047 | 33.900 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | GLU | -1 | -0.827 | -0.868 | 32.743 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | LEU | 0 | -0.025 | -0.014 | 34.756 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | SER | 0 | -0.024 | -0.010 | 36.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | LEU | 0 | 0.028 | -0.006 | 37.344 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | SER | 0 | 0.007 | 0.019 | 40.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | GLY | 0 | -0.001 | 0.006 | 40.984 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | ASN | 0 | -0.055 | -0.023 | 39.438 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | ASN | 0 | -0.027 | -0.009 | 43.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | ILE | 0 | 0.016 | 0.003 | 42.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | SER | 0 | 0.008 | -0.003 | 46.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | ASP | -1 | -0.879 | -0.933 | 48.727 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | ILE | 0 | 0.032 | 0.000 | 46.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | ALA | 0 | 0.043 | 0.012 | 46.927 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | PRO | 0 | -0.041 | -0.014 | 43.719 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | LEU | 0 | 0.023 | 0.007 | 41.547 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | GLU | -1 | -0.928 | -0.941 | 44.016 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | SER | 0 | -0.099 | -0.048 | 43.747 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | LEU | 0 | -0.018 | -0.004 | 39.118 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | LYS | 1 | 0.942 | 0.948 | 41.692 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | SER | 0 | -0.024 | 0.002 | 38.074 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | LEU | 0 | -0.020 | 0.012 | 38.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | THR | 0 | -0.048 | -0.053 | 38.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | GLU | -1 | -0.815 | -0.865 | 36.919 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | LEU | 0 | -0.015 | -0.012 | 39.232 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | SER | 0 | -0.021 | -0.010 | 39.923 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | LEU | 0 | 0.019 | 0.000 | 41.822 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | SER | 0 | -0.027 | -0.007 | 44.128 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | SER | 0 | -0.020 | -0.038 | 45.192 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | ASN | 0 | -0.040 | -0.006 | 43.845 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | GLN | 0 | -0.046 | -0.030 | 47.884 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | ILE | 0 | 0.011 | 0.010 | 47.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | THR | 0 | -0.028 | -0.019 | 51.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | ASP | -1 | -0.849 | -0.931 | 54.115 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | ILE | 0 | 0.031 | 0.007 | 51.044 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | ALA | 0 | 0.010 | -0.009 | 52.103 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | PRO | 0 | -0.017 | -0.004 | 49.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | LEU | 0 | 0.033 | 0.017 | 46.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | ALA | 0 | 0.027 | 0.036 | 49.284 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | SER | 0 | -0.106 | -0.056 | 47.924 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | LEU | 0 | -0.004 | -0.002 | 44.199 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | LYS | 1 | 0.871 | 0.911 | 46.604 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | SER | 0 | -0.028 | -0.006 | 42.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | LEU | 0 | -0.015 | 0.007 | 42.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | THR | 0 | 0.002 | -0.010 | 41.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | GLU | -1 | -0.902 | -0.943 | 40.465 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | LEU | 0 | -0.002 | -0.002 | 43.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | SER | 0 | 0.024 | 0.005 | 43.562 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | LEU | 0 | 0.035 | -0.003 | 46.041 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | SER | 0 | -0.002 | 0.017 | 48.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | SER | 0 | -0.035 | -0.006 | 49.140 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | ASN | 0 | 0.007 | 0.007 | 48.371 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | GLN | 0 | -0.019 | -0.004 | 52.390 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | ILE | 0 | 0.021 | 0.015 | 51.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | SER | 0 | -0.028 | -0.025 | 56.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | ASP | -1 | -0.856 | -0.925 | 58.908 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | ILE | 0 | 0.029 | -0.001 | 55.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | ALA | 0 | 0.023 | 0.000 | 56.750 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | PRO | 0 | -0.045 | -0.018 | 54.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | LEU | 0 | 0.006 | -0.005 | 51.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | GLU | -1 | -0.918 | -0.941 | 53.801 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | SER | 0 | -0.008 | 0.001 | 53.539 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | LEU | 0 | -0.055 | -0.006 | 48.956 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | LYS | 1 | 0.950 | 0.956 | 50.919 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | SER | 0 | -0.048 | -0.026 | 46.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | LEU | 0 | 0.000 | 0.019 | 46.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | THR | 0 | 0.005 | -0.007 | 45.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | GLU | -1 | -0.869 | -0.908 | 43.561 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | LEU | 0 | 0.004 | 0.007 | 46.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | GLN | 0 | -0.104 | -0.074 | 46.114 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | LEU | 0 | 0.048 | 0.004 | 49.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | SER | 0 | -0.040 | -0.003 | 51.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | ARG | 1 | 0.878 | 0.910 | 52.018 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | ASN | 0 | -0.019 | 0.011 | 52.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | GLN | 0 | -0.032 | -0.015 | 56.436 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | ILE | 0 | 0.024 | 0.023 | 55.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | SER | 0 | 0.016 | -0.001 | 60.338 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | ASP | -1 | -0.904 | -0.948 | 63.154 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | ILE | 0 | 0.042 | 0.005 | 59.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | ALA | 0 | 0.016 | -0.003 | 60.940 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | PRO | 0 | -0.028 | -0.013 | 58.506 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | LEU | 0 | 0.031 | 0.014 | 55.380 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | GLU | -1 | -0.823 | -0.867 | 57.638 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | SER | 0 | -0.005 | -0.004 | 57.060 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | LEU | 0 | -0.020 | -0.007 | 52.860 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | LYS | 1 | 0.764 | 0.856 | 54.503 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | SER | 0 | -0.044 | -0.018 | 49.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | LEU | 0 | -0.012 | 0.018 | 50.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | THR | 0 | -0.004 | -0.008 | 48.260 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | GLU | -1 | -0.877 | -0.921 | 46.640 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | LEU | 0 | -0.008 | -0.004 | 50.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | GLN | 0 | 0.056 | 0.045 | 50.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | LEU | 0 | 0.041 | -0.004 | 52.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | SER | 0 | -0.010 | -0.011 | 54.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | SER | 0 | -0.105 | -0.061 | 56.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | ASN | 0 | -0.012 | -0.004 | 56.213 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | GLN | 0 | -0.041 | -0.029 | 60.076 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | ILE | 0 | 0.022 | 0.020 | 59.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | THR | 0 | -0.017 | -0.017 | 64.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | ASP | -1 | -0.849 | -0.928 | 67.139 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | ILE | 0 | 0.032 | 0.004 | 63.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | ALA | 0 | 0.026 | 0.001 | 64.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | PRO | 0 | -0.049 | -0.017 | 62.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | LEU | 0 | 0.042 | 0.020 | 58.641 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | ALA | 0 | 0.023 | 0.034 | 61.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | SER | 0 | -0.116 | -0.099 | 61.641 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | LEU | 0 | 0.001 | 0.011 | 56.397 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | LYS | 1 | 0.874 | 0.915 | 57.751 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | SER | 0 | -0.033 | -0.008 | 52.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | LEU | 0 | -0.009 | 0.014 | 53.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | THR | 0 | -0.021 | -0.019 | 50.661 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | GLU | -1 | -0.808 | -0.877 | 49.509 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | LEU | 0 | 0.001 | 0.007 | 52.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | GLN | 0 | -0.047 | -0.026 | 50.579 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | LEU | 0 | 0.040 | 0.007 | 55.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | SER | 0 | 0.027 | 0.010 | 57.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | ARG | 1 | 0.871 | 0.941 | 58.550 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | ASN | 0 | -0.002 | 0.009 | 59.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | GLN | 0 | -0.067 | -0.047 | 63.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | ILE | 0 | 0.022 | 0.018 | 62.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | SER | 0 | 0.000 | -0.010 | 67.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | ASP | -1 | -0.866 | -0.935 | 70.221 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | ILE | 0 | 0.029 | -0.001 | 65.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | ALA | 0 | 0.049 | 0.015 | 67.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | PRO | 0 | -0.060 | -0.025 | 65.514 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | LEU | 0 | -0.003 | -0.009 | 61.500 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | GLU | -1 | -0.897 | -0.936 | 63.706 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | SER | 0 | -0.081 | -0.046 | 64.388 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | LEU | 0 | -0.024 | -0.003 | 59.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | ASN | 0 | -0.007 | -0.024 | 60.111 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | SER | 0 | -0.027 | 0.001 | 54.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | LEU | 0 | -0.003 | 0.015 | 55.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | SER | 0 | 0.009 | 0.000 | 51.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | LYS | 1 | 0.859 | 0.938 | 49.329 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | LEU | 0 | 0.021 | 0.011 | 54.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | TRP | 0 | -0.079 | -0.049 | 53.660 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | LEU | 0 | 0.035 | -0.005 | 57.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | ASN | 0 | -0.002 | 0.029 | 57.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | GLY | 0 | -0.015 | -0.015 | 61.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | ASN | 0 | -0.067 | -0.034 | 62.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | GLN | 0 | -0.028 | -0.007 | 66.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | ILE | 0 | 0.022 | 0.018 | 65.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | THR | 0 | -0.031 | -0.027 | 69.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | ASP | -1 | -0.836 | -0.927 | 72.898 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | ILE | 0 | 0.014 | -0.006 | 68.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | ALA | 0 | 0.004 | -0.007 | 69.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | PRO | 0 | -0.009 | 0.003 | 68.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | LEU | 0 | -0.007 | -0.004 | 63.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | ALA | 0 | 0.028 | 0.033 | 65.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | SER | 0 | 0.001 | 0.005 | 66.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | LEU | 0 | -0.031 | 0.005 | 61.601 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | ASN | 0 | -0.019 | -0.031 | 61.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | SER | 0 | -0.036 | -0.018 | 56.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | LEU | 0 | -0.036 | 0.002 | 56.774 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | THR | 0 | -0.059 | -0.026 | 54.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | GLU | -1 | -0.799 | -0.897 | 52.433 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | LEU | 0 | 0.012 | 0.000 | 56.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | GLU | -1 | -0.763 | -0.846 | 57.663 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | LEU | 0 | 0.043 | 0.014 | 59.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | SER | 0 | -0.101 | -0.064 | 61.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | SER | 0 | -0.067 | -0.055 | 63.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | ASN | 0 | -0.025 | 0.000 | 64.843 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | GLN | 0 | -0.042 | -0.022 | 68.426 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | ILE | 0 | 0.030 | 0.019 | 67.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | THR | 0 | -0.029 | -0.026 | 71.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | ASP | -1 | -0.872 | -0.947 | 74.566 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | ILE | 0 | 0.029 | 0.002 | 69.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | ALA | 0 | 0.003 | -0.003 | 70.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | PRO | 0 | -0.036 | -0.013 | 70.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | LEU | 0 | 0.022 | 0.010 | 65.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | ALA | 0 | -0.012 | 0.009 | 67.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | SER | 0 | -0.050 | -0.034 | 67.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | LEU | 0 | -0.009 | -0.001 | 62.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | LYS | 1 | 0.835 | 0.890 | 62.959 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | SER | 0 | -0.026 | -0.004 | 57.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | LEU | 0 | -0.048 | -0.006 | 58.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | SER | 0 | 0.026 | 0.010 | 55.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | THR | 0 | -0.035 | -0.023 | 55.193 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | LEU | 0 | 0.005 | 0.005 | 57.765 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | TRP | 0 | 0.012 | 0.000 | 54.063 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | LEU | 0 | 0.046 | 0.005 | 61.615 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | SER | 0 | -0.022 | -0.009 | 63.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | SER | 0 | -0.039 | -0.021 | 65.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | ASN | 0 | 0.002 | 0.019 | 66.867 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | GLN | 0 | -0.081 | -0.043 | 70.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | ILE | 0 | 0.036 | 0.034 | 69.629 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | SER | 0 | -0.032 | -0.039 | 73.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | ASP | -1 | -0.885 | -0.950 | 76.066 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | ILE | 0 | 0.015 | 0.005 | 70.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | ALA | 0 | -0.008 | -0.011 | 72.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | PRO | 0 | -0.011 | -0.014 | 72.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | LEU | 0 | 0.019 | 0.012 | 67.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | ALA | 0 | -0.013 | -0.004 | 67.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | SER | 0 | -0.060 | -0.032 | 69.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | LEU | 0 | -0.002 | 0.011 | 64.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | GLU | -1 | -0.847 | -0.919 | 62.938 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | SER | 0 | -0.027 | -0.025 | 58.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | LEU | 0 | -0.050 | -0.004 | 58.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | SER | 0 | -0.028 | -0.008 | 56.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | GLU | -1 | -0.876 | -0.921 | 54.589 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | LEU | 0 | 0.035 | 0.012 | 58.726 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | SER | 0 | -0.054 | -0.028 | 61.327 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | LEU | 0 | 0.055 | 0.014 | 63.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 357 | SER | 0 | -0.021 | -0.004 | 64.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 358 | SER | 0 | -0.033 | -0.024 | 67.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 359 | ASN | 0 | -0.007 | 0.008 | 68.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 360 | GLN | 0 | 0.002 | -0.003 | 72.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 361 | ILE | 0 | 0.026 | 0.018 | 71.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 362 | SER | 0 | -0.006 | -0.010 | 75.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 363 | ASP | -1 | -0.901 | -0.967 | 76.861 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 364 | ILE | 0 | 0.033 | 0.010 | 70.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 365 | SER | 0 | -0.014 | -0.012 | 72.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 366 | PRO | 0 | -0.031 | -0.013 | 73.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 367 | LEU | 0 | 0.038 | 0.015 | 67.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 368 | ALA | 0 | -0.032 | -0.005 | 68.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 369 | SER | 0 | -0.019 | -0.004 | 69.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 370 | LEU | 0 | -0.039 | 0.002 | 65.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 371 | ASN | 0 | -0.051 | -0.046 | 64.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 372 | SER | 0 | -0.007 | -0.003 | 60.243 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 373 | LEU | 0 | -0.066 | -0.014 | 59.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 374 | THR | 0 | 0.013 | -0.009 | 56.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 375 | GLY | 0 | -0.016 | -0.012 | 58.501 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 376 | PHE | 0 | -0.005 | 0.000 | 59.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 377 | ASP | -1 | -0.751 | -0.834 | 62.071 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 378 | VAL | 0 | 0.026 | 0.010 | 64.016 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 379 | ARG | 1 | 0.795 | 0.884 | 62.378 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 380 | ARG | 1 | 0.798 | 0.877 | 66.838 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 381 | ASN | 0 | 0.035 | 0.020 | 69.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 382 | PRO | 0 | -0.008 | 0.017 | 73.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 383 | ILE | 0 | 0.009 | -0.004 | 72.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 384 | LYS | 1 | 0.852 | 0.924 | 76.276 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 385 | ARG | 1 | 0.921 | 0.944 | 78.650 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 386 | LEU | 0 | 0.028 | 0.032 | 72.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 387 | PRO | 0 | 0.025 | 0.014 | 74.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 388 | GLU | -1 | -0.892 | -0.966 | 74.551 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 389 | THR | 0 | 0.037 | 0.006 | 72.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 390 | ILE | 0 | -0.018 | 0.001 | 69.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 391 | THR | 0 | -0.057 | -0.032 | 68.643 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 392 | GLY | 0 | 0.017 | 0.010 | 68.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 393 | PHE | 0 | -0.022 | -0.004 | 64.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 394 | ASP | -1 | -0.897 | -0.954 | 60.677 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 395 | MET | 0 | -0.035 | 0.011 | 59.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 396 | GLU | -1 | -0.869 | -0.916 | 60.408 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 397 | ILE | 0 | -0.013 | -0.020 | 62.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 398 | LEU | 0 | -0.010 | 0.006 | 59.127 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 399 | TRP | 0 | 0.002 | -0.016 | 63.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 400 | ASN | 0 | 0.010 | 0.001 | 60.910 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 401 | ASP | -1 | -0.802 | -0.876 | 63.573 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 402 | PHE | 0 | -0.029 | -0.026 | 57.969 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 403 | SER | 0 | 0.006 | 0.017 | 58.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 404 | SER | 0 | 0.005 | -0.008 | 56.317 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 405 | SER | 0 | 0.050 | 0.035 | 53.498 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 406 | GLY | 0 | 0.032 | 0.006 | 55.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 407 | PHE | 0 | -0.050 | -0.041 | 55.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 408 | ILE | 0 | 0.013 | 0.031 | 60.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 409 | THR | 0 | -0.047 | -0.028 | 61.851 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 410 | PHE | 0 | 0.016 | 0.006 | 64.264 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 411 | PHE | 0 | 0.005 | -0.021 | 66.646 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 412 | ASP | -1 | -0.921 | -0.954 | 68.709 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 413 | ASN | 0 | 0.015 | -0.002 | 70.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 414 | PRO | 0 | -0.026 | -0.001 | 73.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 415 | LEU | 0 | -0.027 | -0.025 | 72.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 416 | GLU | -1 | -0.847 | -0.938 | 77.283 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 417 | SER | 0 | -0.060 | -0.027 | 79.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 418 | PRO | 0 | 0.035 | 0.031 | 75.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 419 | PRO | 0 | 0.003 | 0.023 | 76.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 420 | PRO | 0 | 0.053 | 0.004 | 73.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 421 | GLU | -1 | -0.925 | -0.967 | 72.932 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 422 | ILE | 0 | -0.039 | -0.001 | 73.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 423 | VAL | 0 | 0.020 | 0.004 | 69.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 424 | LYS | 1 | 0.871 | 0.936 | 68.545 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 425 | GLN | 0 | -0.098 | -0.051 | 67.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 426 | GLY | 0 | 0.041 | 0.045 | 66.353 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 427 | LYS | 1 | 0.871 | 0.933 | 62.031 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 428 | GLU | -1 | -0.843 | -0.931 | 66.175 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 429 | ALA | 0 | 0.002 | 0.016 | 68.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 430 | VAL | 0 | -0.003 | -0.006 | 70.551 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 431 | ARG | 1 | 0.887 | 0.937 | 66.976 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 432 | GLN | 0 | 0.019 | 0.001 | 71.019 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 433 | TYR | 0 | -0.023 | -0.001 | 74.856 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 434 | PHE | 0 | 0.030 | -0.001 | 74.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 435 | GLN | 0 | -0.078 | -0.040 | 75.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 436 | SER | 0 | -0.057 | -0.031 | 77.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 437 | ILE | 0 | -0.055 | -0.030 | 80.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 438 | GLU | -1 | -0.795 | -0.841 | 80.120 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 439 | GLU | -1 | -0.895 | -0.950 | 79.871 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 440 | ALA | 0 | -0.052 | -0.015 | 83.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 441 | ARG | 1 | 0.697 | 0.816 | 83.852 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |