FMODB ID: Z66ZN
Calculation Name: 4R0Y-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4R0Y
Chain ID: A
UniProt ID: P97836
Base Structure: X-ray
Registration Date: 2023-06-21
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 | 469 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8831233.968015 |
---|---|
FMO2-HF: Nuclear repulsion | 8647973.427901 |
FMO2-HF: Total energy | -183260.540114 |
FMO2-MP2: Total energy | -183798.063558 |
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:1:LYS)
Summations of interaction energy for
fragment #1(A:1:LYS)
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. |
-320.366 | -319.899 | 27.737 | -14.067 | -14.137 | -0.166 |
Interaction energy analysis for fragmet #1(A:1:LYS)
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 | 3 | GLU | -1 | -0.857 | -0.906 | 3.810 | -24.085 | -23.068 | -0.009 | -0.383 | -0.625 | 0.001 |
4 | A | 4 | GLU | -1 | -0.911 | -0.956 | 5.705 | -22.056 | -22.056 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | GLY | 0 | 0.020 | 0.010 | 8.803 | 0.986 | 0.986 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | LYS | 1 | 0.806 | 0.901 | 8.312 | 23.066 | 23.066 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | LEU | 0 | 0.015 | 0.023 | 11.405 | -0.866 | -0.866 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | VAL | 0 | -0.062 | -0.019 | 7.722 | 1.105 | 1.105 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ILE | 0 | 0.034 | 0.014 | 11.198 | -0.850 | -0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | TRP | 0 | -0.046 | -0.027 | 9.533 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ILE | 0 | 0.034 | 0.013 | 14.494 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ASN | 0 | 0.034 | -0.002 | 18.229 | -0.621 | -0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLY | 0 | -0.013 | -0.010 | 20.627 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | ASP | -1 | -0.835 | -0.904 | 22.647 | -11.513 | -11.513 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LYS | 1 | 0.891 | 0.939 | 23.077 | 11.924 | 11.924 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | GLY | 0 | 0.029 | 0.027 | 24.996 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | TYR | 0 | -0.028 | -0.039 | 20.507 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASN | 0 | -0.062 | -0.049 | 21.717 | -0.634 | -0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | GLY | 0 | 0.090 | 0.046 | 24.157 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | -0.023 | -0.010 | 19.183 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ALA | 0 | -0.005 | -0.011 | 20.357 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | GLU | -1 | -0.947 | -0.963 | 21.312 | -10.018 | -10.018 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | VAL | 0 | 0.001 | 0.004 | 23.095 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLY | 0 | -0.014 | -0.011 | 19.912 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | LYS | 1 | 0.776 | 0.860 | 19.768 | 12.647 | 12.647 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | LYS | 1 | 0.922 | 0.961 | 22.418 | 10.289 | 10.289 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | PHE | 0 | 0.032 | 0.015 | 17.649 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | GLU | -1 | -0.793 | -0.881 | 18.755 | -13.281 | -13.281 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | LYS | 1 | 0.794 | 0.895 | 20.861 | 10.282 | 10.282 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | ASP | -1 | -0.827 | -0.886 | 24.155 | -9.970 | -9.970 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | THR | 0 | -0.011 | -0.004 | 19.881 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLY | 0 | -0.024 | 0.000 | 20.607 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | ILE | 0 | -0.067 | -0.017 | 15.012 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LYS | 1 | 0.855 | 0.921 | 10.915 | 19.189 | 19.189 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | VAL | 0 | 0.030 | 0.011 | 14.521 | -0.887 | -0.887 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | THR | 0 | -0.058 | -0.028 | 12.247 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | VAL | 0 | 0.020 | 0.016 | 14.009 | -0.745 | -0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLU | -1 | -0.900 | -0.942 | 10.951 | -21.382 | -21.382 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | HIS | 1 | 0.903 | 0.948 | 15.285 | 14.310 | 14.310 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | PRO | 0 | -0.012 | 0.000 | 13.157 | 0.848 | 0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ASP | -1 | -0.812 | -0.904 | 16.176 | -16.515 | -16.515 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LYS | 1 | 0.950 | 0.957 | 16.912 | 14.999 | 14.999 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | LEU | 0 | 0.027 | 0.037 | 14.729 | -1.105 | -1.105 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLU | -1 | -0.772 | -0.884 | 14.974 | -17.011 | -17.011 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | GLU | -1 | -0.884 | -0.949 | 16.074 | -16.319 | -16.319 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | LYS | 1 | 0.796 | 0.885 | 12.005 | 18.230 | 18.230 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | PHE | 0 | 0.020 | 0.013 | 10.564 | -2.869 | -2.869 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | PRO | 0 | 0.030 | 0.014 | 10.171 | -2.683 | -2.683 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | GLN | 0 | -0.080 | -0.037 | 9.956 | -0.824 | -0.824 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | VAL | 0 | -0.007 | -0.016 | 6.326 | -2.543 | -2.543 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ALA | 0 | 0.041 | 0.035 | 5.339 | -8.171 | -8.171 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ALA | 0 | -0.029 | -0.015 | 7.135 | -2.042 | -2.042 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | THR | 0 | -0.096 | -0.051 | 3.021 | 8.741 | 9.258 | 0.007 | -0.198 | -0.326 | -0.001 |
54 | A | 54 | GLY | 0 | -0.007 | -0.006 | 2.172 | -36.593 | -35.650 | 3.670 | -2.194 | -2.419 | -0.031 |
55 | A | 55 | ASP | -1 | -0.805 | -0.894 | 1.814 | -135.184 | -137.338 | 24.059 | -11.277 | -10.628 | -0.135 |
56 | A | 56 | GLY | 0 | 0.041 | 0.007 | 3.634 | 7.509 | 7.653 | 0.010 | -0.015 | -0.139 | 0.000 |
57 | A | 57 | PRO | 0 | -0.039 | -0.008 | 6.047 | -0.709 | -0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ASP | -1 | -0.695 | -0.829 | 8.851 | -27.213 | -27.213 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ILE | 0 | -0.027 | -0.011 | 10.298 | 0.799 | 0.799 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ILE | 0 | 0.002 | 0.011 | 13.361 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | PHE | 0 | -0.005 | -0.017 | 14.895 | 0.784 | 0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | TRP | 0 | -0.020 | -0.034 | 18.573 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ALA | 0 | 0.022 | 0.037 | 20.498 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | HIS | 0 | 0.032 | -0.004 | 22.452 | -0.693 | -0.693 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ASP | -1 | -0.915 | -0.962 | 23.749 | -13.157 | -13.157 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ARG | 1 | 0.894 | 0.948 | 18.130 | 15.812 | 15.812 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | PHE | 0 | -0.014 | -0.026 | 17.901 | -0.854 | -0.854 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | GLY | 0 | 0.081 | 0.051 | 19.813 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | GLY | 0 | 0.019 | 0.004 | 19.984 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | TYR | 0 | -0.039 | -0.035 | 15.557 | -0.704 | -0.704 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ALA | 0 | 0.021 | 0.018 | 15.798 | -1.196 | -1.196 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | GLN | 0 | 0.061 | 0.057 | 17.847 | 0.482 | 0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | SER | 0 | -0.091 | -0.059 | 14.451 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | 0.034 | 0.025 | 13.740 | -1.657 | -1.657 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LEU | 0 | -0.045 | -0.020 | 10.235 | -1.556 | -1.556 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | LEU | 0 | -0.051 | -0.009 | 12.606 | -0.993 | -0.993 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ALA | 0 | -0.004 | -0.002 | 14.433 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLU | -1 | -0.868 | -0.914 | 16.090 | -13.385 | -13.385 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | ILE | 0 | -0.057 | -0.019 | 18.927 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | THR | 0 | 0.016 | -0.011 | 20.881 | 0.590 | 0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | PRO | 0 | 0.024 | 0.038 | 23.735 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ASP | -1 | -0.826 | -0.911 | 26.163 | -9.990 | -9.990 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | LYS | 1 | 0.855 | 0.900 | 29.625 | 8.556 | 8.556 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ALA | 0 | -0.012 | -0.015 | 32.878 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | PHE | 0 | 0.027 | 0.011 | 26.689 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | GLN | 0 | -0.009 | -0.018 | 28.782 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ASP | -1 | -0.850 | -0.910 | 30.940 | -8.224 | -8.224 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | LYS | 1 | 0.940 | 0.990 | 29.510 | 10.269 | 10.269 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LEU | 0 | 0.007 | 0.014 | 27.647 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | TYR | 0 | 0.020 | 0.012 | 32.432 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | PRO | 0 | -0.002 | -0.010 | 33.032 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | PHE | 0 | 0.061 | 0.016 | 33.166 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | THR | 0 | -0.008 | -0.003 | 29.660 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | TRP | 0 | 0.016 | -0.010 | 25.338 | -0.613 | -0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ASP | -1 | -0.850 | -0.905 | 28.733 | -10.024 | -10.024 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ALA | 0 | -0.021 | 0.007 | 28.195 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | VAL | 0 | -0.039 | -0.016 | 23.764 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ARG | 1 | 0.896 | 0.950 | 24.476 | 10.101 | 10.101 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | TYR | 0 | 0.000 | -0.013 | 21.213 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ASN | 0 | -0.012 | -0.012 | 23.999 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | GLY | 0 | -0.009 | -0.002 | 26.557 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | LYS | 1 | 0.828 | 0.920 | 20.819 | 14.826 | 14.826 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LEU | 0 | -0.010 | 0.008 | 24.320 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ILE | 0 | 0.006 | -0.008 | 19.702 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ALA | 0 | -0.021 | -0.018 | 19.316 | -0.805 | -0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | TYR | 0 | -0.044 | -0.060 | 19.905 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | PRO | 0 | 0.009 | 0.015 | 23.083 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ILE | 0 | -0.037 | -0.018 | 22.608 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ALA | 0 | -0.003 | 0.004 | 26.250 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | VAL | 0 | -0.045 | -0.027 | 28.744 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | GLU | -1 | -0.894 | -0.948 | 30.859 | -9.699 | -9.699 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ALA | 0 | 0.033 | 0.008 | 32.888 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LEU | 0 | -0.012 | 0.007 | 35.902 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | SER | 0 | -0.006 | -0.005 | 38.837 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | LEU | 0 | 0.013 | 0.003 | 42.087 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ILE | 0 | -0.032 | -0.005 | 41.533 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | TYR | 0 | 0.001 | -0.008 | 46.076 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ASN | 0 | 0.070 | 0.021 | 49.752 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | LYS | 1 | 0.888 | 0.921 | 49.582 | 6.392 | 6.392 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ASP | -1 | -0.853 | -0.911 | 54.017 | -5.631 | -5.631 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | LEU | 0 | -0.136 | -0.059 | 54.808 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | LEU | 0 | -0.034 | -0.029 | 53.688 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | PRO | 0 | 0.036 | 0.023 | 55.037 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ASN | 0 | -0.064 | -0.029 | 55.804 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | PRO | 0 | 0.027 | 0.025 | 51.495 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | PRO | 0 | 0.033 | 0.026 | 52.953 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | LYS | 1 | 0.884 | 0.934 | 52.627 | 5.769 | 5.769 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | THR | 0 | -0.074 | -0.043 | 52.473 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | TRP | 0 | 0.054 | -0.010 | 46.557 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | GLU | -1 | -0.790 | -0.911 | 53.094 | -5.895 | -5.895 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | GLU | -1 | -0.865 | -0.895 | 56.405 | -5.572 | -5.572 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ILE | 0 | 0.001 | -0.007 | 52.057 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | PRO | 0 | -0.002 | 0.002 | 56.313 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | ALA | 0 | -0.020 | -0.018 | 58.607 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | LEU | 0 | 0.057 | 0.038 | 55.935 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ASP | -1 | -0.774 | -0.876 | 57.074 | -5.632 | -5.632 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | LYS | 1 | 0.916 | 0.967 | 58.871 | 5.194 | 5.194 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | GLU | -1 | -0.892 | -0.947 | 62.529 | -4.933 | -4.933 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | LEU | 0 | -0.063 | -0.031 | 57.027 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | LYS | 1 | 0.881 | 0.933 | 56.496 | 5.658 | 5.658 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | ALA | 0 | -0.037 | 0.007 | 61.685 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | LYS | 1 | 0.879 | 0.943 | 60.737 | 5.295 | 5.295 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | GLY | 0 | -0.019 | -0.016 | 61.735 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | LYS | 1 | 0.798 | 0.902 | 56.636 | 5.512 | 5.512 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | SER | 0 | 0.044 | 0.012 | 53.834 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | 0.031 | 0.021 | 55.117 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | LEU | 0 | -0.057 | -0.027 | 47.923 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | MET | 0 | -0.009 | 0.002 | 48.921 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | PHE | 0 | 0.038 | 0.009 | 43.589 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ASN | 0 | 0.022 | 0.007 | 38.762 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | LEU | 0 | -0.014 | -0.001 | 42.265 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | GLN | 0 | -0.029 | -0.027 | 40.547 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | GLU | -1 | -0.843 | -0.889 | 35.311 | -9.134 | -9.134 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | PRO | 0 | 0.037 | 0.026 | 36.489 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | TYR | 0 | -0.013 | -0.005 | 33.538 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | PHE | 0 | 0.022 | -0.014 | 36.646 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | THR | 0 | 0.001 | 0.012 | 40.113 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | TRP | 0 | -0.016 | 0.002 | 38.441 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | PRO | 0 | 0.009 | 0.014 | 40.248 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | LEU | 0 | -0.018 | -0.001 | 42.530 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ILE | 0 | -0.034 | -0.021 | 42.723 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | ALA | 0 | 0.048 | 0.019 | 41.273 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ALA | 0 | -0.022 | 0.008 | 43.361 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ASP | -1 | -0.842 | -0.915 | 46.076 | -6.273 | -6.273 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLY | 0 | 0.035 | 0.022 | 45.715 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLY | 0 | -0.019 | 0.016 | 43.153 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | TYR | 0 | -0.095 | -0.076 | 38.046 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ALA | 0 | -0.035 | -0.020 | 34.403 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | PHE | 0 | 0.002 | -0.004 | 31.307 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | LYS | 1 | 0.855 | 0.928 | 35.000 | 8.380 | 8.380 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | TYR | 0 | -0.045 | -0.042 | 30.367 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLU | -1 | -0.883 | -0.936 | 33.256 | -8.224 | -8.224 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASN | 0 | 0.000 | -0.003 | 31.750 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLY | 0 | 0.041 | 0.011 | 28.739 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | LYS | 1 | 0.850 | 0.922 | 27.810 | 10.745 | 10.745 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | TYR | 0 | 0.027 | 0.012 | 28.573 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ASP | -1 | -0.823 | -0.895 | 30.985 | -9.305 | -9.305 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ILE | 0 | -0.001 | -0.009 | 29.137 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | LYS | 1 | 0.804 | 0.892 | 33.151 | 9.017 | 9.017 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ASP | -1 | -0.881 | -0.910 | 36.279 | -7.851 | -7.851 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | VAL | 0 | 0.013 | -0.001 | 35.800 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | GLY | 0 | 0.016 | 0.009 | 38.223 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | VAL | 0 | -0.020 | -0.031 | 38.886 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ASP | -1 | -0.834 | -0.919 | 41.862 | -6.782 | -6.782 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | ASN | 0 | -0.004 | -0.006 | 44.193 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ALA | 0 | 0.016 | -0.015 | 47.110 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | GLY | 0 | 0.044 | 0.029 | 47.969 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ALA | 0 | 0.026 | 0.010 | 44.397 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | LYS | 1 | 0.817 | 0.908 | 46.250 | 6.644 | 6.644 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ALA | 0 | -0.001 | 0.020 | 49.245 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | GLY | 0 | 0.051 | 0.022 | 48.043 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | LEU | 0 | -0.001 | -0.006 | 45.438 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | THR | 0 | -0.016 | -0.031 | 48.375 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | PHE | 0 | 0.006 | 0.017 | 51.651 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LEU | 0 | 0.017 | 0.006 | 46.311 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | VAL | 0 | 0.011 | -0.007 | 49.863 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ASP | -1 | -0.868 | -0.939 | 52.028 | -5.633 | -5.633 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | LEU | 0 | -0.069 | -0.025 | 51.734 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ILE | 0 | -0.024 | -0.013 | 49.234 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.853 | 0.937 | 53.619 | 6.066 | 6.066 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASN | 0 | -0.120 | -0.069 | 57.033 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | LYS | 1 | 0.855 | 0.929 | 56.405 | 5.745 | 5.745 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | HIS | 0 | -0.014 | -0.023 | 55.875 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | MET | 0 | -0.027 | 0.000 | 50.515 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ASN | 0 | -0.040 | -0.030 | 51.355 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ALA | 0 | 0.061 | 0.034 | 48.910 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ASP | -1 | -0.859 | -0.907 | 47.163 | -6.543 | -6.543 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | THR | 0 | -0.048 | -0.029 | 46.459 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ASP | -1 | -0.733 | -0.867 | 41.924 | -7.672 | -7.672 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | TYR | 0 | -0.062 | -0.036 | 38.233 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | SER | 0 | -0.013 | -0.016 | 41.460 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ILE | 0 | -0.040 | -0.018 | 42.870 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ALA | 0 | -0.016 | 0.009 | 44.273 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | GLU | -1 | -0.822 | -0.889 | 40.270 | -7.770 | -7.770 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ALA | 0 | -0.064 | -0.038 | 44.362 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ALA | 0 | 0.054 | 0.022 | 47.012 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | PHE | 0 | -0.037 | -0.021 | 46.477 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ASN | 0 | 0.033 | 0.005 | 43.440 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | LYS | 1 | 0.921 | 0.980 | 47.951 | 6.544 | 6.544 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | GLY | 0 | -0.007 | -0.001 | 51.226 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLU | -1 | -0.957 | -0.983 | 52.621 | -5.906 | -5.906 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | THR | 0 | -0.015 | -0.010 | 49.950 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | -0.020 | -0.006 | 51.976 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | MET | 0 | 0.003 | 0.006 | 49.521 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | THR | 0 | 0.016 | -0.010 | 44.594 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | ILE | 0 | 0.014 | 0.012 | 41.822 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ASN | 0 | 0.019 | -0.020 | 38.741 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | GLY | 0 | 0.071 | 0.037 | 36.386 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | PRO | 0 | 0.028 | 0.002 | 34.377 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | TRP | 0 | -0.024 | 0.005 | 32.896 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ALA | 0 | -0.011 | -0.006 | 34.818 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | TRP | 0 | 0.002 | -0.005 | 38.203 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | SER | 0 | 0.062 | 0.043 | 37.255 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ASN | 0 | -0.047 | -0.045 | 38.550 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | ILE | 0 | 0.019 | 0.026 | 41.186 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | ASP | -1 | -0.793 | -0.854 | 41.384 | -7.180 | -7.180 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | THR | 0 | -0.116 | -0.061 | 42.284 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | SER | 0 | -0.023 | -0.026 | 45.050 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | LYS | 1 | 0.798 | 0.891 | 46.180 | 6.822 | 6.822 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | VAL | 0 | 0.008 | 0.033 | 48.831 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | ASN | 0 | -0.033 | -0.026 | 49.227 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | TYR | 0 | -0.041 | -0.044 | 43.190 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | GLY | 0 | -0.016 | -0.001 | 47.647 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | VAL | 0 | -0.012 | -0.003 | 41.915 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | THR | 0 | -0.014 | -0.016 | 45.378 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | VAL | 0 | 0.014 | 0.018 | 45.022 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | LEU | 0 | -0.033 | -0.028 | 41.995 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | PRO | 0 | 0.022 | 0.020 | 46.261 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | THR | 0 | -0.036 | -0.016 | 48.527 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | PHE | 0 | 0.012 | -0.001 | 49.696 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | LYS | 1 | 0.809 | 0.887 | 51.450 | 6.055 | 6.055 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | GLY | 0 | -0.025 | -0.009 | 53.723 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | GLN | 0 | -0.041 | -0.012 | 48.586 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | PRO | 0 | 0.003 | -0.007 | 45.372 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | SER | 0 | 0.027 | 0.008 | 44.416 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | LYS | 1 | 0.818 | 0.900 | 40.975 | 7.189 | 7.189 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | PRO | 0 | 0.013 | 0.013 | 38.221 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | PHE | 0 | 0.027 | 0.010 | 33.774 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | VAL | 0 | -0.043 | -0.014 | 32.257 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | GLY | 0 | -0.013 | -0.009 | 29.419 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | VAL | 0 | -0.002 | -0.018 | 26.723 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | LEU | 0 | -0.016 | 0.019 | 22.487 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | SER | 0 | 0.008 | -0.023 | 22.224 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ALA | 0 | 0.006 | 0.004 | 18.850 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | GLY | 0 | 0.042 | 0.031 | 17.023 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ILE | 0 | 0.008 | -0.001 | 13.415 | -0.634 | -0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ASN | 0 | -0.003 | -0.004 | 7.263 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ALA | 0 | 0.028 | 0.004 | 11.211 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ALA | 0 | -0.024 | -0.011 | 6.551 | 0.556 | 0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | SER | 0 | -0.055 | -0.044 | 7.200 | -1.853 | -1.853 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | PRO | 0 | 0.005 | 0.017 | 6.981 | 2.443 | 2.443 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ASN | 0 | -0.003 | -0.027 | 9.007 | 3.062 | 3.062 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | LYS | 1 | 0.871 | 0.917 | 11.534 | 25.595 | 25.595 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLU | -1 | -0.878 | -0.942 | 14.693 | -17.061 | -17.061 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | LEU | 0 | 0.000 | 0.001 | 13.953 | 0.910 | 0.910 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | ALA | 0 | -0.004 | -0.008 | 14.419 | 0.718 | 0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | LYS | 1 | 0.874 | 0.953 | 16.456 | 13.420 | 13.420 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | GLU | -1 | -0.853 | -0.902 | 19.731 | -11.335 | -11.335 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | PHE | 0 | -0.010 | -0.015 | 18.546 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | LEU | 0 | -0.020 | -0.022 | 17.979 | 0.530 | 0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | GLU | -1 | -0.810 | -0.900 | 21.568 | -11.875 | -11.875 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ASN | 0 | -0.073 | -0.058 | 24.251 | 0.796 | 0.796 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | TYR | 0 | -0.061 | -0.037 | 23.078 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | LEU | 0 | -0.018 | -0.004 | 21.699 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | LEU | 0 | -0.020 | -0.003 | 24.659 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | THR | 0 | -0.014 | -0.010 | 26.929 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | ASP | -1 | -0.790 | -0.888 | 29.916 | -8.869 | -8.869 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | GLU | -1 | -0.937 | -0.968 | 30.776 | -9.159 | -9.159 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | GLY | 0 | -0.009 | 0.002 | 27.242 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | LEU | 0 | -0.017 | -0.027 | 26.858 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | GLU | -1 | -0.817 | -0.885 | 29.007 | -8.576 | -8.576 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | ALA | 0 | 0.026 | 0.012 | 27.761 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | VAL | 0 | -0.064 | -0.031 | 24.777 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | ASN | 0 | 0.018 | 0.002 | 27.562 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | LYS | 1 | 0.787 | 0.885 | 30.845 | 8.742 | 8.742 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | ASP | -1 | -0.837 | -0.883 | 26.333 | -10.755 | -10.755 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | LYS | 1 | 0.858 | 0.919 | 26.694 | 10.896 | 10.896 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | PRO | 0 | -0.004 | 0.005 | 29.690 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | LEU | 0 | -0.014 | -0.011 | 26.604 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | GLY | 0 | -0.019 | 0.007 | 30.475 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | ALA | 0 | 0.031 | 0.019 | 33.785 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | VAL | 0 | -0.016 | -0.022 | 30.559 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | ALA | 0 | 0.007 | -0.015 | 29.188 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | LEU | 0 | -0.038 | -0.011 | 30.421 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | LYS | 1 | 0.827 | 0.911 | 32.154 | 8.616 | 8.616 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | SER | 0 | 0.003 | -0.029 | 34.751 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | TYR | 0 | 0.077 | 0.029 | 32.480 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | GLU | -1 | -0.793 | -0.890 | 35.171 | -8.371 | -8.371 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | GLU | -1 | -0.950 | -0.973 | 36.567 | -7.431 | -7.431 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | GLU | -1 | -0.975 | -0.974 | 38.095 | -7.703 | -7.703 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | LEU | 0 | 0.029 | -0.002 | 33.784 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | ALA | 0 | -0.031 | -0.011 | 38.486 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | LYS | 1 | 0.799 | 0.886 | 41.059 | 7.353 | 7.353 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | ASP | -1 | -0.827 | -0.878 | 40.994 | -7.222 | -7.222 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | PRO | 0 | 0.033 | -0.010 | 42.371 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | ARG | 1 | 0.844 | 0.907 | 40.535 | 7.481 | 7.481 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | ILE | 0 | -0.007 | 0.020 | 36.514 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | ALA | 0 | 0.017 | 0.010 | 39.417 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | ALA | 0 | -0.028 | -0.007 | 41.984 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | THR | 0 | -0.026 | -0.021 | 36.053 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | MET | 0 | 0.036 | 0.044 | 34.791 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | GLU | -1 | -0.845 | -0.908 | 38.548 | -6.898 | -6.898 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | ASN | 0 | -0.021 | -0.026 | 40.339 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | ALA | 0 | -0.005 | -0.008 | 35.597 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | GLN | 0 | -0.078 | -0.053 | 37.424 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | LYS | 1 | 0.780 | 0.886 | 39.191 | 7.032 | 7.032 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | GLY | 0 | -0.005 | 0.002 | 38.364 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | GLU | -1 | -0.814 | -0.882 | 35.559 | -8.690 | -8.690 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | ILE | 0 | 0.009 | -0.001 | 30.687 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | MET | 0 | -0.021 | 0.000 | 29.511 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | PRO | 0 | 0.029 | 0.013 | 29.486 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | ASN | 0 | -0.030 | -0.001 | 24.544 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | ILE | 0 | 0.007 | 0.019 | 24.171 | -0.672 | -0.672 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | PRO | 0 | 0.047 | 0.005 | 22.180 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | GLN | 0 | 0.007 | -0.015 | 24.545 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | MET | 0 | 0.012 | 0.025 | 27.737 | 0.574 | 0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | SER | 0 | -0.041 | -0.005 | 26.879 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ALA | 0 | 0.029 | 0.012 | 28.956 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | PHE | 0 | 0.025 | 0.018 | 31.785 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | TRP | 0 | 0.019 | -0.006 | 29.434 | 0.525 | 0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | TYR | 0 | 0.018 | -0.001 | 32.845 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ALA | 0 | -0.011 | -0.007 | 34.622 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | VAL | 0 | 0.079 | 0.036 | 37.109 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | ARG | 1 | 0.843 | 0.886 | 34.241 | 9.104 | 9.104 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | THR | 0 | -0.093 | -0.056 | 38.559 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | ALA | 0 | 0.024 | 0.021 | 40.932 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | VAL | 0 | 0.029 | 0.013 | 42.443 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | ILE | 0 | -0.005 | 0.002 | 41.481 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | ASN | 0 | -0.041 | -0.047 | 44.432 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | ALA | 0 | 0.018 | 0.016 | 46.708 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | ALA | 0 | -0.009 | 0.004 | 47.889 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | SER | 0 | -0.051 | -0.028 | 48.662 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | GLY | 0 | 0.021 | -0.005 | 50.833 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | ARG | 1 | 0.847 | 0.943 | 46.317 | 6.794 | 6.794 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | GLN | 0 | -0.010 | 0.010 | 46.171 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | THR | 0 | -0.010 | -0.034 | 50.644 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | VAL | 0 | 0.037 | -0.005 | 48.952 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | ASP | -1 | -0.851 | -0.926 | 48.503 | -6.405 | -6.405 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | GLU | -1 | -0.861 | -0.898 | 48.554 | -6.323 | -6.323 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | ALA | 0 | -0.077 | -0.025 | 45.850 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | LEU | 0 | -0.030 | -0.032 | 43.590 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | ALA | 0 | 0.017 | 0.040 | 44.130 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | MET | 0 | -0.037 | -0.016 | 38.108 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 807 | ASP | -1 | -0.863 | -0.943 | 42.661 | -7.359 | -7.359 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 808 | GLY | 0 | 0.068 | 0.013 | 41.122 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 809 | HIS | 0 | -0.036 | -0.017 | 39.327 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 810 | TRP | 0 | 0.005 | 0.009 | 37.168 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 811 | PHE | 0 | 0.040 | 0.009 | 36.065 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 812 | LEU | 0 | -0.002 | 0.007 | 35.050 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 813 | LYS | 1 | 0.859 | 0.943 | 33.073 | 8.270 | 8.270 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 814 | LEU | 0 | 0.015 | 0.003 | 31.392 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 815 | LEU | 0 | -0.016 | -0.004 | 30.465 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 816 | GLN | 0 | -0.070 | -0.039 | 26.730 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 817 | ALA | 0 | 0.034 | 0.021 | 26.833 | -0.470 | -0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 818 | GLU | -1 | -0.770 | -0.863 | 25.560 | -12.159 | -12.159 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 819 | ARG | 1 | 0.834 | 0.916 | 25.226 | 10.915 | 10.915 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 820 | ASP | -1 | -0.844 | -0.916 | 22.731 | -13.149 | -13.149 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 821 | ARG | 1 | 0.789 | 0.889 | 20.749 | 12.171 | 12.171 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 822 | MET | 0 | 0.001 | 0.006 | 20.147 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 823 | GLU | -1 | -0.848 | -0.930 | 20.598 | -13.563 | -13.563 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 824 | GLY | 0 | -0.009 | 0.002 | 17.294 | -0.865 | -0.865 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 825 | TRP | 0 | 0.001 | -0.014 | 15.912 | -1.151 | -1.151 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 826 | CYS | 0 | -0.040 | -0.015 | 16.249 | -0.779 | -0.779 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 827 | LYS | 1 | 0.846 | 0.921 | 14.744 | 19.003 | 19.003 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 828 | GLN | 0 | -0.084 | -0.054 | 11.171 | -0.618 | -0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 829 | MET | 0 | 0.058 | 0.030 | 12.049 | -2.080 | -2.080 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 830 | GLU | -1 | -0.846 | -0.907 | 13.996 | -18.510 | -18.510 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 831 | ARG | 1 | 0.863 | 0.927 | 8.103 | 31.913 | 31.913 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 832 | GLU | -1 | -0.797 | -0.884 | 8.659 | -35.037 | -35.037 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 833 | GLU | -1 | -0.863 | -0.903 | 10.684 | -17.146 | -17.146 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 834 | ARG | 1 | 0.747 | 0.852 | 10.911 | 26.178 | 26.178 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 835 | GLU | -1 | -0.828 | -0.889 | 7.289 | -30.240 | -30.240 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 836 | ASN | 0 | -0.041 | -0.013 | 7.651 | -1.502 | -1.502 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 837 | ASN | 0 | -0.020 | -0.005 | 10.407 | 2.312 | 2.312 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 838 | LEU | 0 | 0.001 | 0.004 | 12.090 | 0.868 | 0.868 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 839 | PRO | 0 | 0.043 | 0.010 | 14.812 | 0.668 | 0.668 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 840 | GLU | -1 | -0.975 | -0.993 | 18.398 | -14.473 | -14.473 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 841 | ASP | -1 | -0.843 | -0.903 | 21.298 | -13.700 | -13.700 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 842 | ILE | 0 | 0.040 | 0.022 | 15.389 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 843 | LEU | 0 | 0.053 | 0.041 | 16.311 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 844 | GLY | 0 | -0.023 | -0.005 | 19.143 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 845 | LYS | 1 | 0.847 | 0.899 | 20.087 | 14.146 | 14.146 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 846 | ILE | 0 | 0.058 | 0.033 | 14.987 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 847 | ARG | 1 | 0.831 | 0.890 | 19.227 | 15.609 | 15.609 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 848 | THR | 0 | -0.043 | -0.002 | 21.854 | 0.548 | 0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 849 | ALA | 0 | 0.011 | 0.027 | 20.562 | 0.512 | 0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 850 | VAL | 0 | 0.026 | -0.003 | 18.623 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 851 | GLY | 0 | 0.013 | 0.009 | 21.830 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 852 | SER | 0 | -0.080 | -0.062 | 25.155 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 853 | ALA | 0 | 0.034 | 0.021 | 23.542 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 854 | GLN | 0 | 0.048 | 0.011 | 21.708 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 855 | LEU | 0 | -0.016 | 0.010 | 26.072 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 856 | LEU | 0 | -0.027 | -0.009 | 28.817 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 857 | MET | 0 | -0.012 | -0.005 | 23.617 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 858 | ALA | 0 | -0.017 | -0.015 | 29.385 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 859 | GLN | 0 | -0.041 | -0.018 | 31.020 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 860 | LYS | 1 | 1.003 | 0.992 | 33.663 | 9.215 | 9.215 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 861 | PHE | 0 | 0.012 | 0.007 | 28.257 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 862 | TYR | 0 | -0.090 | -0.048 | 33.070 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 863 | GLN | 0 | 0.014 | -0.006 | 35.046 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 864 | PHE | 0 | 0.015 | 0.007 | 35.333 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 865 | ARG | 1 | 0.984 | 0.997 | 33.326 | 9.337 | 9.337 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 866 | GLU | -1 | -0.851 | -0.912 | 37.124 | -7.873 | -7.873 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 867 | LEU | 0 | 0.003 | 0.012 | 40.444 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 868 | CYS | 0 | -0.057 | -0.031 | 38.976 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 869 | GLU | -1 | -0.920 | -0.975 | 38.445 | -8.110 | -8.110 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 870 | GLU | -1 | -0.907 | -0.950 | 42.479 | -6.843 | -6.843 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 871 | ASN | 0 | -0.081 | -0.044 | 44.114 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 872 | LEU | 0 | -0.036 | -0.013 | 41.812 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 873 | ASN | 0 | -0.027 | -0.008 | 46.120 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 874 | PRO | 0 | -0.029 | -0.027 | 48.987 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 875 | ASN | 0 | -0.096 | -0.051 | 52.392 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 876 | ALA | 0 | -0.041 | -0.043 | 52.109 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 877 | HIS | 0 | 0.032 | 0.072 | 48.535 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 878 | PRO | 0 | 0.000 | -0.025 | 50.457 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 879 | ARG | 1 | 0.917 | 0.959 | 49.319 | 6.309 | 6.309 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 880 | PRO | 0 | -0.001 | 0.025 | 45.383 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 881 | THR | 0 | -0.017 | -0.023 | 47.535 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 882 | SER | 0 | 0.049 | 0.014 | 45.046 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 883 | GLN | 0 | 0.023 | 0.011 | 44.388 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 884 | ASP | -1 | -0.799 | -0.880 | 45.075 | -6.799 | -6.799 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 885 | LEU | 0 | -0.047 | -0.016 | 41.241 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 886 | ALA | 0 | 0.036 | 0.023 | 40.645 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 887 | GLY | 0 | 0.027 | 0.025 | 40.550 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 888 | PHE | 0 | -0.034 | -0.033 | 39.613 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 889 | TRP | 0 | -0.025 | -0.011 | 31.682 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 890 | ASP | -1 | -0.833 | -0.942 | 35.983 | -8.634 | -8.634 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 891 | MET | 0 | -0.086 | -0.035 | 36.927 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 892 | LEU | 0 | -0.048 | -0.037 | 32.493 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 893 | GLN | 0 | 0.031 | -0.016 | 30.481 | -0.514 | -0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 894 | LEU | 0 | -0.016 | 0.020 | 31.746 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 895 | SER | 0 | -0.048 | -0.031 | 30.846 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 896 | ILE | 0 | -0.001 | -0.006 | 26.902 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 897 | GLU | -1 | -0.817 | -0.890 | 27.130 | -11.419 | -11.419 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 898 | ASN | 0 | -0.006 | -0.003 | 27.327 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 899 | ILE | 0 | -0.036 | -0.040 | 23.980 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 900 | SER | 0 | 0.028 | 0.008 | 23.236 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 901 | MET | 0 | -0.024 | -0.005 | 22.643 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 902 | LYS | 1 | 0.876 | 0.960 | 23.006 | 11.663 | 11.663 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 903 | PHE | 0 | 0.024 | -0.004 | 17.619 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 904 | ASP | -1 | -0.851 | -0.910 | 18.204 | -15.911 | -15.911 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 905 | GLU | -1 | -0.984 | -1.000 | 19.074 | -14.068 | -14.068 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 906 | LEU | 0 | -0.052 | -0.032 | 16.365 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 907 | HIS | 0 | 0.099 | 0.038 | 14.438 | -2.080 | -2.080 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 908 | GLN | 0 | -0.159 | -0.050 | 14.806 | -0.534 | -0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 909 | LEU | 0 | -0.080 | -0.050 | 15.411 | 0.613 | 0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 910 | LYS | 1 | 0.820 | 0.892 | 7.329 | 35.145 | 35.145 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 911 | ALA | 0 | 0.005 | -0.001 | 9.749 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 912 | ASN | 0 | -0.008 | -0.006 | 11.746 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |