FMODB ID: 893GY
Calculation Name: 4A2Q-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4A2Q
Chain ID: A
UniProt ID: D3TI84
Base Structure: X-ray
Registration Date: 2023-09-24
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 | OptAll |
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 | 679 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15449642.384609 |
---|---|
FMO2-HF: Nuclear repulsion | 15172872.050269 |
FMO2-HF: Total energy | -276770.334341 |
FMO2-MP2: Total energy | -277566.775778 |
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:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-8.38 | -3.162 | 6.386 | -4.456 | -7.147 | -0.014 |
Interaction energy analysis for fragmet #1(A:1:MET)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | ALA | 0 | 0.026 | 0.006 | 3.903 | -0.359 | 1.978 | -0.013 | -1.284 | -1.039 | 0.003 |
4 | A | 4 | ASP | -1 | -0.839 | -0.914 | 2.224 | -0.293 | 0.436 | 5.361 | -2.319 | -3.771 | -0.013 |
5 | A | 5 | GLU | -1 | -0.853 | -0.915 | 2.344 | -6.480 | -4.676 | 1.039 | -0.812 | -2.031 | -0.004 |
6 | A | 6 | LYS | 1 | 0.806 | 0.895 | 4.686 | 0.746 | 0.860 | 0.000 | -0.021 | -0.093 | 0.000 |
7 | A | 7 | ARG | 1 | 0.820 | 0.885 | 5.360 | -1.184 | -1.184 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | SER | 0 | -0.016 | -0.003 | 6.074 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | LEU | 0 | 0.023 | 0.001 | 8.092 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | GLN | 0 | 0.029 | 0.011 | 10.424 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | CYS | 0 | -0.064 | -0.034 | 10.962 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | TYR | 0 | -0.041 | -0.008 | 9.279 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | ARG | 1 | 0.778 | 0.855 | 13.664 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | ARG | 1 | 0.807 | 0.870 | 16.006 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | TYR | 0 | -0.058 | -0.064 | 15.816 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ILE | 0 | 0.026 | 0.025 | 13.428 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | GLU | -1 | -0.829 | -0.919 | 18.093 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ARG | 1 | 0.801 | 0.890 | 20.840 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | SER | 0 | -0.018 | -0.016 | 20.909 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | 0.054 | 0.031 | 17.574 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ASN | 0 | 0.036 | 0.013 | 21.387 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | PRO | 0 | 0.003 | 0.000 | 21.325 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | VAL | 0 | 0.019 | 0.016 | 22.512 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | TYR | 0 | -0.058 | -0.035 | 24.395 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | VAL | 0 | 0.006 | 0.009 | 18.772 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | LEU | 0 | -0.023 | -0.022 | 21.008 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLY | 0 | -0.015 | 0.009 | 22.468 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ASN | 0 | -0.002 | -0.002 | 19.905 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | MET | 0 | 0.057 | 0.026 | 16.555 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | THR | 0 | -0.053 | -0.045 | 19.467 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ASP | -1 | -0.939 | -0.958 | 18.653 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | TRP | 0 | -0.070 | -0.027 | 14.121 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | LEU | 0 | -0.005 | 0.005 | 17.216 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | PRO | 0 | 0.045 | 0.031 | 20.228 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASP | -1 | -0.813 | -0.918 | 23.749 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | GLU | -1 | -0.861 | -0.913 | 26.811 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LEU | 0 | 0.036 | 0.030 | 20.445 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ARG | 1 | 0.788 | 0.886 | 22.350 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLU | -1 | -0.843 | -0.909 | 25.062 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ARG | 1 | 0.841 | 0.891 | 24.273 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ILE | 0 | 0.010 | -0.002 | 21.644 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | ARG | 1 | 0.919 | 0.947 | 25.917 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | LYS | 1 | 0.752 | 0.866 | 28.798 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLU | -1 | -0.871 | -0.921 | 26.666 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | GLU | -1 | -0.883 | -0.936 | 27.874 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLU | -1 | -0.839 | -0.912 | 29.280 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | ARG | 1 | 0.779 | 0.901 | 30.677 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | GLY | 0 | 0.055 | 0.016 | 30.419 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | 0.018 | 0.024 | 25.597 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | SER | 0 | 0.018 | 0.000 | 24.645 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | GLY | 0 | 0.013 | 0.033 | 24.114 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ALA | 0 | 0.029 | 0.016 | 24.507 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ALA | 0 | 0.003 | -0.009 | 20.962 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ALA | 0 | -0.007 | 0.006 | 19.797 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | LEU | 0 | -0.002 | 0.006 | 19.953 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | PHE | 0 | 0.004 | -0.020 | 16.881 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | LEU | 0 | 0.017 | 0.008 | 13.948 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ASP | -1 | -0.803 | -0.872 | 15.572 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ALA | 0 | -0.034 | -0.021 | 17.038 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | VAL | 0 | -0.001 | -0.003 | 12.236 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | LEU | 0 | -0.028 | -0.007 | 11.242 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | GLN | 0 | -0.066 | -0.028 | 12.886 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | LEU | 0 | -0.024 | 0.013 | 13.640 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | GLU | -1 | -0.839 | -0.921 | 9.795 | -1.086 | -1.086 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ALA | 0 | -0.031 | 0.000 | 12.050 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ARG | 1 | 0.956 | 0.945 | 10.763 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLY | 0 | 0.053 | 0.031 | 9.317 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | TRP | 0 | 0.053 | 0.034 | 7.879 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | PHE | 0 | 0.003 | 0.014 | 6.010 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ARG | 1 | 0.758 | 0.827 | 9.167 | 0.831 | 0.831 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | GLY | 0 | 0.051 | 0.016 | 10.576 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | MET | 0 | -0.015 | -0.017 | 11.855 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | LEU | 0 | -0.017 | 0.009 | 8.944 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ASP | -1 | -0.806 | -0.897 | 13.214 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ALA | 0 | -0.028 | -0.011 | 15.953 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | MET | 0 | -0.055 | -0.032 | 14.268 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | LEU | 0 | -0.019 | -0.010 | 15.776 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | ALA | 0 | -0.041 | -0.013 | 19.033 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | ALA | 0 | -0.035 | -0.012 | 21.072 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | GLY | 0 | 0.074 | 0.039 | 22.474 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | TYR | 0 | 0.004 | -0.004 | 19.504 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | THR | 0 | 0.022 | -0.013 | 18.629 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | GLY | 0 | -0.009 | 0.014 | 18.213 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LEU | 0 | -0.005 | -0.024 | 16.665 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | ALA | 0 | 0.000 | 0.011 | 14.113 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | GLU | -1 | -0.831 | -0.897 | 13.199 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ALA | 0 | 0.012 | 0.007 | 13.215 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ILE | 0 | -0.042 | -0.034 | 10.120 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | GLU | -1 | -0.818 | -0.875 | 8.867 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ASN | 0 | -0.104 | -0.068 | 8.655 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | TRP | 0 | -0.004 | 0.004 | 4.893 | -0.218 | 0.016 | -0.001 | -0.020 | -0.213 | 0.000 |
92 | A | 92 | ASP | -1 | -0.769 | -0.844 | 9.699 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | PHE | 0 | 0.030 | 0.002 | 11.118 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | SER | 0 | -0.096 | -0.076 | 15.994 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | LYS | 1 | 0.801 | 0.885 | 18.872 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LEU | 0 | 0.037 | 0.020 | 17.120 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | GLU | -1 | -0.791 | -0.844 | 20.045 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | LYS | 1 | 0.830 | 0.911 | 21.692 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | LEU | 0 | 0.010 | 0.013 | 23.567 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | GLU | -1 | -0.800 | -0.869 | 23.647 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | LEU | 0 | -0.003 | 0.010 | 26.059 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | HIS | 0 | 0.034 | 0.009 | 28.533 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | ARG | 1 | 0.819 | 0.897 | 23.919 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | GLN | 0 | -0.006 | 0.000 | 29.390 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | LEU | 0 | -0.020 | 0.000 | 31.826 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | LEU | 0 | 0.007 | -0.003 | 33.219 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | LYS | 1 | 0.989 | 0.986 | 30.797 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ARG | 1 | 0.769 | 0.871 | 35.918 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ILE | 0 | 0.013 | -0.001 | 38.284 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | GLU | -1 | -0.844 | -0.900 | 37.878 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ALA | 0 | 0.038 | 0.023 | 40.442 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | THR | 0 | -0.056 | -0.058 | 43.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | MET | 0 | -0.046 | -0.022 | 38.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | LEU | 0 | -0.011 | 0.009 | 42.926 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | GLU | -1 | -0.789 | -0.886 | 45.192 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | VAL | 0 | -0.044 | -0.018 | 42.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ASP | -1 | -0.762 | -0.882 | 43.928 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | PRO | 0 | 0.015 | 0.008 | 40.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | VAL | 0 | -0.012 | -0.003 | 40.735 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ALA | 0 | -0.033 | -0.017 | 42.485 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | LEU | 0 | 0.001 | -0.001 | 38.660 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | ILE | 0 | 0.043 | 0.014 | 35.977 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | PRO | 0 | -0.026 | -0.015 | 36.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | TYR | 0 | -0.045 | -0.020 | 37.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ILE | 0 | -0.001 | -0.007 | 33.404 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | SER | 0 | -0.006 | 0.007 | 32.691 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | THR | 0 | 0.002 | -0.006 | 28.584 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | CYS | 0 | -0.062 | -0.020 | 28.217 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | LEU | 0 | -0.005 | 0.028 | 28.020 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ILE | 0 | -0.003 | 0.005 | 24.122 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ASP | -1 | -0.857 | -0.933 | 27.768 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ARG | 1 | 0.926 | 0.947 | 27.702 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLU | -1 | -0.772 | -0.873 | 28.357 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | CYS | 0 | -0.062 | -0.026 | 31.821 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLU | -1 | -0.912 | -0.958 | 33.564 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | GLU | -1 | -0.831 | -0.908 | 32.804 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ILE | 0 | -0.022 | -0.016 | 33.987 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | GLN | 0 | -0.036 | -0.028 | 37.613 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | GLN | 0 | 0.000 | -0.001 | 39.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | ILE | 0 | -0.030 | -0.011 | 37.669 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | SER | 0 | -0.020 | -0.024 | 41.477 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | GLU | -1 | -0.950 | -0.955 | 43.507 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ASN | 0 | -0.072 | -0.047 | 43.728 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ARG | 1 | 0.917 | 0.972 | 43.374 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | SER | 0 | -0.003 | -0.029 | 45.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | LYS | 1 | 0.876 | 0.939 | 44.777 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ALA | 0 | 0.058 | 0.033 | 44.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | ALA | 0 | 0.029 | 0.030 | 42.301 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | GLY | 0 | 0.039 | 0.020 | 40.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ILE | 0 | -0.021 | -0.012 | 39.176 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | THR | 0 | 0.003 | -0.021 | 38.489 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | LYS | 1 | 0.811 | 0.894 | 31.996 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | LEU | 0 | -0.012 | -0.001 | 34.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ILE | 0 | 0.007 | -0.009 | 34.008 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | GLU | -1 | -0.884 | -0.914 | 31.909 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | CYS | 0 | -0.016 | -0.010 | 29.890 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LEU | 0 | 0.021 | 0.016 | 29.053 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | CYS | 0 | -0.119 | -0.070 | 29.191 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ARG | 1 | 0.758 | 0.861 | 23.729 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | SER | 0 | -0.007 | 0.002 | 24.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ASP | -1 | -0.812 | -0.915 | 20.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | LYS | 1 | 0.853 | 0.935 | 21.715 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | GLU | -1 | -0.799 | -0.921 | 22.936 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | HIS | 0 | 0.042 | 0.017 | 25.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | TRP | 0 | 0.076 | 0.034 | 27.077 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | PRO | 0 | 0.007 | 0.014 | 29.103 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LYS | 1 | 0.872 | 0.928 | 31.865 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | SER | 0 | 0.005 | -0.005 | 31.820 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | LEU | 0 | 0.028 | 0.017 | 34.164 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | GLN | 0 | -0.016 | 0.002 | 36.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | LEU | 0 | 0.058 | 0.033 | 37.459 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | ALA | 0 | 0.027 | 0.032 | 37.914 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | LEU | 0 | 0.011 | 0.003 | 39.852 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | ASP | -1 | -0.858 | -0.914 | 42.155 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | THR | 0 | -0.077 | -0.044 | 42.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | THR | 0 | -0.046 | -0.034 | 43.098 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | GLY | 0 | 0.023 | 0.024 | 45.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | TYR | 0 | -0.008 | -0.014 | 44.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | TYR | 0 | -0.039 | -0.026 | 45.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ARG | 1 | 0.783 | 0.870 | 46.739 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | ALA | 0 | 0.063 | 0.031 | 43.052 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | SER | 0 | -0.033 | -0.049 | 42.007 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLU | -1 | -0.884 | -0.926 | 42.031 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | LEU | 0 | -0.009 | -0.004 | 42.427 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | TRP | 0 | -0.007 | 0.011 | 33.422 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ASP | -1 | -0.845 | -0.891 | 36.463 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 245 | LYS | 1 | 0.849 | 0.891 | 65.113 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 246 | ALA | 0 | -0.031 | -0.004 | 70.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 247 | ARG | 1 | 0.866 | 0.943 | 69.908 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 248 | SER | 0 | 0.042 | 0.002 | 74.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 249 | TYR | 0 | -0.013 | -0.041 | 71.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 250 | GLN | 0 | -0.051 | -0.026 | 69.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 251 | ILE | 0 | 0.044 | 0.018 | 73.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 252 | GLU | -1 | -0.748 | -0.849 | 75.283 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 253 | LEU | 0 | -0.036 | -0.022 | 72.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 254 | ALA | 0 | 0.042 | 0.025 | 72.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 255 | GLN | 0 | -0.008 | 0.000 | 73.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 256 | PRO | 0 | 0.000 | 0.004 | 75.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 257 | ALA | 0 | 0.033 | 0.011 | 71.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 258 | ILE | 0 | 0.004 | 0.005 | 72.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 259 | ASN | 0 | -0.106 | -0.056 | 74.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 260 | GLY | 0 | 0.017 | 0.011 | 73.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 261 | LYS | 1 | 0.803 | 0.888 | 74.006 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 262 | ASN | 0 | 0.031 | 0.022 | 71.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 263 | ALA | 0 | -0.012 | -0.006 | 71.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 264 | LEU | 0 | 0.007 | -0.002 | 70.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 265 | ILE | 0 | 0.007 | 0.009 | 69.830 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 266 | CYS | 0 | -0.027 | -0.005 | 70.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 267 | ALA | 0 | 0.029 | 0.014 | 71.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 268 | PRO | 0 | 0.035 | 0.027 | 70.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 269 | THR | 0 | 0.010 | -0.018 | 64.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 270 | GLY | 0 | 0.078 | 0.052 | 66.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 271 | SER | 0 | -0.035 | -0.028 | 67.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 272 | GLY | 0 | 0.056 | 0.038 | 66.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 273 | LYS | 1 | 0.812 | 0.891 | 64.297 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 274 | THR | 0 | 0.045 | 0.006 | 60.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 275 | PHE | 0 | 0.010 | 0.023 | 63.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 276 | VAL | 0 | 0.023 | 0.008 | 65.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 277 | SER | 0 | -0.029 | -0.028 | 63.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 278 | ILE | 0 | 0.019 | 0.012 | 61.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 279 | LEU | 0 | 0.021 | 0.015 | 64.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 280 | ILE | 0 | -0.014 | -0.003 | 67.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 281 | CYS | 0 | -0.053 | -0.006 | 63.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 282 | GLU | -1 | -0.737 | -0.849 | 64.755 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 283 | HIS | 0 | 0.006 | -0.004 | 66.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 284 | HIS | 0 | 0.006 | 0.020 | 66.169 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 285 | PHE | 0 | -0.007 | -0.022 | 60.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 286 | GLN | 0 | -0.062 | -0.031 | 66.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 287 | ASN | 0 | -0.065 | -0.031 | 69.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 288 | MET | 0 | -0.023 | 0.029 | 66.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 289 | PRO | 0 | -0.005 | 0.012 | 69.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 290 | ALA | 0 | -0.014 | -0.027 | 70.364 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 291 | GLY | 0 | 0.017 | 0.010 | 67.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 292 | ARG | 1 | 0.862 | 0.919 | 65.982 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 293 | LYS | 1 | 1.010 | 0.994 | 58.448 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 294 | ALA | 0 | -0.002 | 0.008 | 63.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 295 | LYS | 1 | 0.819 | 0.917 | 56.209 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 296 | VAL | 0 | 0.000 | 0.003 | 59.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 297 | VAL | 0 | 0.025 | 0.018 | 57.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 298 | PHE | 0 | -0.013 | -0.012 | 57.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 299 | LEU | 0 | 0.004 | 0.011 | 57.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 300 | ALA | 0 | 0.030 | 0.003 | 56.109 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 301 | THR | 0 | -0.022 | -0.010 | 56.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 302 | LYS | 1 | 0.903 | 0.950 | 54.745 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 303 | VAL | 0 | 0.105 | 0.051 | 48.134 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 304 | PRO | 0 | 0.053 | 0.023 | 50.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 305 | VAL | 0 | -0.010 | -0.001 | 51.888 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 306 | TYR | 0 | -0.014 | -0.019 | 47.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 307 | GLU | -1 | -0.767 | -0.865 | 47.584 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 308 | GLN | 0 | -0.022 | -0.009 | 51.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 309 | GLN | 0 | 0.017 | 0.018 | 53.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 310 | LYS | 1 | 0.859 | 0.918 | 46.157 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 311 | ASN | 0 | -0.043 | -0.031 | 48.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 312 | VAL | 0 | -0.045 | -0.015 | 52.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 313 | PHE | 0 | -0.001 | -0.021 | 55.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 314 | LYS | 1 | 0.820 | 0.902 | 48.250 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 315 | HIS | 0 | 0.042 | 0.036 | 52.705 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 316 | HIS | 0 | -0.059 | -0.026 | 54.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 317 | PHE | 0 | 0.002 | -0.011 | 57.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 318 | GLU | -1 | -0.792 | -0.880 | 50.502 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 319 | ARG | 1 | 0.796 | 0.886 | 55.019 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 320 | GLN | 0 | -0.085 | -0.049 | 56.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 321 | GLY | 0 | -0.008 | 0.004 | 56.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 322 | TYR | 0 | -0.047 | -0.010 | 56.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 323 | SER | 0 | -0.026 | -0.025 | 52.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 324 | VAL | 0 | 0.017 | 0.005 | 52.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 325 | GLN | 0 | 0.002 | 0.001 | 47.953 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 326 | GLY | 0 | 0.005 | -0.017 | 49.104 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 327 | ILE | 0 | 0.008 | 0.023 | 47.001 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 328 | SER | 0 | 0.010 | -0.041 | 47.137 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 329 | GLY | 0 | -0.006 | -0.011 | 46.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 330 | GLU | -1 | -0.872 | -0.925 | 41.476 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 331 | ASN | 0 | -0.043 | -0.020 | 41.922 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 332 | PHE | 0 | 0.052 | 0.014 | 40.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 333 | SER | 0 | -0.010 | -0.009 | 41.359 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 334 | ASN | 0 | -0.036 | -0.002 | 37.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 335 | VAL | 0 | -0.021 | -0.012 | 40.041 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 336 | SER | 0 | -0.031 | -0.033 | 42.746 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 337 | VAL | 0 | 0.073 | 0.013 | 46.261 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 338 | GLU | -1 | -0.759 | -0.841 | 49.299 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 339 | LYS | 1 | 0.847 | 0.916 | 47.237 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 340 | VAL | 0 | 0.014 | 0.025 | 47.050 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 341 | ILE | 0 | -0.013 | 0.007 | 49.623 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 342 | GLU | -1 | -0.907 | -0.956 | 52.155 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 343 | ASP | -1 | -0.918 | -0.954 | 49.345 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 344 | SER | 0 | -0.052 | -0.037 | 51.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 345 | ASP | -1 | -0.863 | -0.921 | 53.991 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 346 | ILE | 0 | -0.041 | -0.025 | 55.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 347 | ILE | 0 | 0.005 | 0.012 | 52.192 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 348 | VAL | 0 | -0.017 | -0.001 | 53.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 349 | VAL | 0 | 0.021 | -0.002 | 52.446 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 350 | THR | 0 | 0.014 | 0.016 | 51.473 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 351 | PRO | 0 | 0.004 | 0.005 | 53.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 352 | GLN | 0 | 0.037 | -0.004 | 53.185 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 353 | ILE | 0 | 0.006 | 0.028 | 48.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 354 | LEU | 0 | 0.021 | 0.034 | 52.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 355 | VAL | 0 | -0.014 | -0.007 | 55.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 356 | ASN | 0 | 0.044 | 0.020 | 49.976 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 357 | SER | 0 | -0.004 | -0.007 | 51.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 358 | PHE | 0 | -0.032 | -0.030 | 52.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 359 | GLU | -1 | -1.017 | -1.002 | 55.234 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 360 | ASP | -1 | -0.856 | -0.921 | 49.452 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 361 | GLY | 0 | 0.015 | 0.014 | 52.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 362 | THR | 0 | -0.119 | -0.070 | 50.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 363 | LEU | 0 | 0.005 | 0.001 | 52.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 364 | THR | 0 | -0.003 | -0.018 | 55.947 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 365 | SER | 0 | -0.030 | -0.020 | 59.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 366 | LEU | 0 | 0.006 | 0.006 | 60.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 367 | SER | 0 | -0.054 | -0.052 | 62.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 368 | ILE | 0 | -0.005 | 0.019 | 57.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 369 | PHE | 0 | -0.017 | -0.007 | 57.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 370 | THR | 0 | -0.009 | -0.026 | 62.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 371 | LEU | 0 | -0.041 | -0.012 | 63.882 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 372 | MET | 0 | -0.007 | 0.010 | 60.667 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 373 | ILE | 0 | -0.011 | -0.008 | 62.134 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 374 | PHE | 0 | 0.047 | 0.017 | 61.753 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 375 | ASP | -1 | -0.781 | -0.903 | 60.538 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 376 | GLU | -1 | -0.938 | -0.962 | 62.261 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 377 | CYS | 0 | 0.008 | 0.038 | 64.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 378 | HIS | 0 | 0.036 | 0.031 | 65.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 379 | ASN | 0 | -0.083 | -0.040 | 63.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 380 | THR | 0 | -0.021 | -0.024 | 65.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 381 | THR | 0 | 0.007 | -0.005 | 66.364 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 382 | GLY | 0 | 0.026 | 0.019 | 66.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 383 | ASN | 0 | 0.036 | 0.007 | 61.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 384 | HIS | 0 | -0.002 | 0.026 | 60.200 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 385 | PRO | 0 | 0.055 | 0.012 | 57.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 386 | TYR | 0 | -0.049 | -0.052 | 59.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 387 | ASN | 0 | 0.021 | 0.002 | 62.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 388 | VAL | 0 | 0.020 | 0.034 | 60.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 389 | LEU | 0 | -0.027 | -0.018 | 58.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 390 | MET | 0 | -0.028 | -0.013 | 62.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 391 | THR | 0 | -0.017 | -0.008 | 65.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 392 | ARG | 1 | 0.939 | 0.977 | 59.471 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 393 | TYR | 0 | -0.040 | -0.039 | 65.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 394 | LEU | 0 | -0.030 | -0.021 | 67.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 395 | GLU | -1 | -0.879 | -0.935 | 66.425 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 396 | GLN | 0 | 0.017 | 0.016 | 64.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 397 | LYS | 1 | 0.823 | 0.906 | 69.256 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 398 | PHE | 0 | -0.056 | -0.036 | 72.496 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 399 | ASN | 0 | -0.005 | -0.019 | 71.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 400 | SER | 0 | -0.067 | -0.041 | 70.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 401 | ALA | 0 | -0.009 | 0.005 | 72.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 402 | SER | 0 | -0.003 | 0.007 | 69.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 403 | GLN | 0 | 0.013 | -0.007 | 68.721 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 404 | LEU | 0 | -0.018 | 0.013 | 67.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 405 | PRO | 0 | -0.014 | 0.005 | 64.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 406 | GLN | 0 | -0.021 | -0.010 | 67.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 407 | ILE | 0 | -0.017 | -0.009 | 66.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 408 | LEU | 0 | 0.024 | 0.002 | 66.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 409 | GLY | 0 | 0.038 | 0.011 | 66.403 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 410 | LEU | 0 | -0.006 | -0.006 | 63.847 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 411 | THR | 0 | 0.027 | -0.001 | 66.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 412 | ALA | 0 | -0.010 | -0.003 | 68.108 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 413 | SER | 0 | -0.005 | -0.026 | 69.726 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 414 | VAL | 0 | 0.061 | 0.028 | 70.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 415 | GLY | 0 | 0.012 | 0.019 | 73.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 416 | VAL | 0 | -0.006 | -0.017 | 73.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 417 | GLY | 0 | 0.045 | 0.031 | 74.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 418 | ASN | 0 | -0.036 | -0.030 | 75.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 419 | ALA | 0 | -0.042 | 0.006 | 77.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 420 | LYS | 1 | 0.888 | 0.914 | 80.923 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 421 | ASN | 0 | -0.042 | -0.020 | 83.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 422 | ILE | 0 | 0.101 | 0.043 | 84.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 423 | GLU | -1 | -0.775 | -0.875 | 84.525 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 424 | GLU | -1 | -0.751 | -0.854 | 82.755 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 425 | THR | 0 | 0.013 | -0.010 | 79.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 426 | ILE | 0 | -0.011 | -0.004 | 80.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 427 | GLU | -1 | -0.781 | -0.865 | 80.983 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 428 | HIS | 0 | -0.036 | -0.020 | 73.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 429 | ILE | 0 | -0.003 | -0.007 | 76.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 430 | CYS | 0 | -0.021 | -0.015 | 76.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 431 | SER | 0 | 0.031 | 0.028 | 75.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 432 | LEU | 0 | 0.001 | 0.022 | 69.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 433 | CYS | 0 | -0.063 | -0.042 | 72.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 434 | SER | 0 | -0.080 | -0.038 | 74.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 435 | TYR | 0 | -0.004 | -0.034 | 70.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 436 | LEU | 0 | -0.020 | -0.018 | 67.492 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 437 | ASP | -1 | -0.721 | -0.808 | 70.650 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 438 | ILE | 0 | -0.053 | -0.020 | 70.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 439 | GLN | 0 | 0.010 | -0.002 | 74.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 440 | ALA | 0 | 0.023 | 0.010 | 76.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 441 | ILE | 0 | 0.014 | 0.009 | 75.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 442 | SER | 0 | -0.042 | -0.015 | 74.478 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 443 | THR | 0 | 0.011 | 0.003 | 75.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 444 | VAL | 0 | -0.014 | 0.001 | 75.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 445 | ARG | 1 | 0.814 | 0.895 | 78.549 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 446 | GLU | -1 | -0.879 | -0.935 | 82.411 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 447 | ASN | 0 | -0.050 | -0.042 | 79.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 448 | ILE | 0 | 0.002 | 0.006 | 79.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 449 | GLN | 0 | 0.053 | 0.026 | 80.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 450 | GLU | -1 | -0.825 | -0.893 | 77.252 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 451 | LEU | 0 | -0.009 | -0.015 | 73.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 452 | GLN | 0 | -0.001 | -0.019 | 75.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 453 | ARG | 1 | 0.867 | 0.949 | 77.827 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 454 | PHE | 0 | 0.003 | 0.006 | 68.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 455 | MET | 0 | -0.029 | -0.003 | 70.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 456 | ASN | 0 | 0.034 | 0.030 | 73.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 457 | LYS | 1 | 0.805 | 0.871 | 74.299 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 458 | PRO | 0 | -0.005 | 0.018 | 73.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 459 | GLU | -1 | -0.824 | -0.903 | 76.816 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 460 | ILE | 0 | 0.019 | -0.012 | 74.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 461 | ASP | -1 | -0.784 | -0.866 | 78.150 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 462 | VAL | 0 | -0.052 | -0.016 | 77.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 463 | ARG | 1 | 0.869 | 0.928 | 78.126 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 464 | LEU | 0 | -0.005 | 0.003 | 78.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 465 | VAL | 0 | 0.007 | 0.015 | 77.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 466 | LYS | 1 | 0.936 | 0.963 | 78.460 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 467 | ARG | 1 | 0.916 | 0.945 | 72.365 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 468 | ARG | 1 | 0.863 | 0.915 | 70.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 469 | ILE | 0 | -0.025 | -0.016 | 77.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 470 | HIS | 0 | 0.033 | 0.014 | 77.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 471 | ASN | 0 | -0.022 | -0.043 | 70.184 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 472 | PRO | 0 | 0.053 | 0.028 | 72.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 473 | PHE | 0 | 0.072 | 0.044 | 63.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 474 | ALA | 0 | 0.023 | 0.005 | 67.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 475 | ALA | 0 | -0.014 | 0.011 | 67.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 476 | ILE | 0 | 0.038 | 0.015 | 65.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 477 | ILE | 0 | 0.008 | 0.005 | 61.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 478 | SER | 0 | 0.007 | -0.014 | 62.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 479 | ASN | 0 | -0.085 | -0.034 | 63.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 480 | LEU | 0 | 0.060 | 0.035 | 60.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 481 | MET | 0 | -0.055 | -0.004 | 58.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 482 | SER | 0 | -0.006 | -0.012 | 59.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 483 | GLU | -1 | -0.846 | -0.915 | 59.871 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 484 | THR | 0 | -0.010 | -0.013 | 54.283 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 485 | GLU | -1 | -0.755 | -0.843 | 55.177 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 486 | ALA | 0 | -0.029 | 0.001 | 56.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 487 | LEU | 0 | 0.011 | 0.013 | 52.715 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 488 | MET | 0 | 0.016 | -0.005 | 49.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 489 | ARG | 1 | 0.739 | 0.843 | 51.469 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 490 | THR | 0 | -0.052 | -0.010 | 52.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 491 | ILE | 0 | -0.071 | -0.038 | 47.159 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 504 | ASP | -1 | -0.853 | -0.909 | 63.040 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 505 | PHE | 0 | 0.000 | 0.005 | 60.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 506 | GLY | 0 | 0.046 | 0.019 | 62.385 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 507 | THR | 0 | -0.088 | -0.060 | 62.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 508 | GLN | 0 | 0.004 | -0.019 | 59.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 509 | ASN | 0 | -0.035 | -0.040 | 58.817 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 510 | TYR | 0 | 0.002 | -0.025 | 57.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 511 | GLU | -1 | -0.738 | -0.822 | 53.063 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 512 | HIS | 0 | 0.009 | 0.004 | 53.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 513 | TRP | 0 | -0.010 | -0.002 | 53.578 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 514 | ILE | 0 | 0.012 | 0.026 | 50.978 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 515 | VAL | 0 | 0.027 | 0.014 | 48.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 516 | VAL | 0 | -0.035 | -0.021 | 48.593 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 517 | THR | 0 | -0.042 | -0.034 | 48.670 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 518 | GLN | 0 | 0.008 | -0.002 | 46.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 519 | ARG | 1 | 0.836 | 0.882 | 43.568 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 520 | LYS | 1 | 0.904 | 0.960 | 43.867 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 521 | CYS | 0 | -0.016 | -0.006 | 43.894 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 522 | ARG | 1 | 0.758 | 0.854 | 39.501 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 523 | LEU | 0 | -0.079 | -0.019 | 39.203 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 524 | LEU | 0 | -0.013 | -0.018 | 39.188 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 525 | GLN | 0 | 0.031 | 0.030 | 32.901 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 526 | LEU | 0 | -0.031 | -0.009 | 36.473 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 527 | GLU | -1 | -0.925 | -0.971 | 36.168 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 528 | ASP | -1 | -0.867 | -0.911 | 35.219 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 529 | LYS | 1 | 0.823 | 0.865 | 30.782 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 530 | GLU | -1 | -0.884 | -0.912 | 33.361 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 531 | GLU | -1 | -0.803 | -0.901 | 35.440 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 532 | GLU | -1 | -0.749 | -0.849 | 37.205 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 533 | SER | 0 | 0.005 | -0.004 | 35.738 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 534 | ARG | 1 | 0.737 | 0.858 | 36.948 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 535 | ILE | 0 | 0.036 | 0.017 | 40.414 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 536 | CYS | 0 | -0.025 | -0.016 | 40.203 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 537 | ARG | 1 | 0.798 | 0.885 | 38.111 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 538 | ALA | 0 | 0.004 | 0.010 | 42.131 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 539 | LEU | 0 | 0.018 | 0.003 | 45.098 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 540 | PHE | 0 | 0.025 | 0.000 | 41.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 541 | ILE | 0 | 0.013 | 0.014 | 44.179 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 542 | CYS | 0 | -0.040 | -0.010 | 47.369 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 543 | THR | 0 | -0.035 | -0.033 | 48.262 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 544 | GLU | -1 | -0.708 | -0.814 | 47.313 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 545 | HIS | 0 | 0.020 | 0.011 | 49.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 546 | LEU | 0 | -0.029 | -0.009 | 53.161 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 547 | ARG | 1 | 0.755 | 0.833 | 49.112 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 548 | LYS | 1 | 0.811 | 0.899 | 52.511 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 549 | TYR | 0 | 0.052 | 0.018 | 55.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 550 | ASN | 0 | 0.031 | 0.008 | 57.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 551 | ASP | -1 | -0.786 | -0.902 | 56.185 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 552 | ALA | 0 | 0.002 | 0.007 | 59.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 553 | LEU | 0 | -0.008 | 0.006 | 61.470 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 554 | ILE | 0 | -0.035 | -0.013 | 60.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 555 | ILE | 0 | -0.002 | -0.010 | 60.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 556 | SER | 0 | -0.002 | 0.003 | 64.623 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 557 | GLU | -1 | -0.809 | -0.861 | 67.331 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 558 | ASP | -1 | -0.769 | -0.848 | 67.061 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 559 | ALA | 0 | 0.043 | 0.037 | 67.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 560 | ARG | 1 | 0.802 | 0.851 | 67.631 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 561 | ILE | 0 | 0.033 | 0.012 | 67.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 562 | ILE | 0 | 0.057 | 0.031 | 66.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 563 | ASP | -1 | -0.795 | -0.884 | 64.476 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 564 | ALA | 0 | -0.007 | -0.002 | 62.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 565 | LEU | 0 | 0.019 | 0.007 | 62.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 566 | SER | 0 | -0.037 | -0.015 | 60.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 567 | TYR | 0 | -0.042 | -0.022 | 55.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 568 | LEU | 0 | 0.002 | 0.010 | 57.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 569 | THR | 0 | 0.018 | 0.001 | 57.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 570 | GLU | -1 | -0.951 | -0.954 | 54.487 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 571 | PHE | 0 | 0.015 | 0.013 | 50.267 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 572 | PHE | 0 | 0.023 | -0.009 | 52.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 573 | THR | 0 | -0.047 | -0.034 | 53.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 574 | ASN | 0 | -0.018 | -0.014 | 49.200 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 575 | VAL | 0 | 0.021 | 0.011 | 48.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 576 | LYS | 1 | 0.814 | 0.904 | 48.159 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 577 | ASN | 0 | -0.077 | -0.028 | 47.162 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 578 | GLY | 0 | 0.017 | 0.025 | 43.844 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 579 | PRO | 0 | -0.021 | -0.016 | 40.981 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 580 | TYR | 0 | -0.010 | 0.015 | 42.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 581 | THR | 0 | 0.024 | -0.014 | 43.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 582 | GLU | -1 | -0.907 | -0.949 | 45.208 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 583 | LEU | 0 | -0.008 | -0.001 | 47.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 584 | GLU | -1 | -0.810 | -0.897 | 45.465 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 585 | GLN | 0 | -0.047 | -0.005 | 47.326 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 586 | HIS | 0 | 0.031 | 0.016 | 51.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 587 | LEU | 0 | -0.026 | -0.018 | 51.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 588 | THR | 0 | -0.012 | -0.027 | 52.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 589 | ALA | 0 | -0.033 | -0.011 | 55.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 590 | LYS | 1 | 0.824 | 0.893 | 57.244 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 591 | PHE | 0 | 0.028 | 0.024 | 57.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 592 | GLN | 0 | -0.005 | -0.024 | 57.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 593 | GLU | -1 | -0.881 | -0.916 | 60.958 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 594 | LYS | 1 | 0.820 | 0.888 | 63.185 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 595 | GLU | -1 | -0.841 | -0.903 | 61.104 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 596 | PRO | 0 | 0.000 | -0.004 | 64.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 597 | GLU | -1 | -0.861 | -0.921 | 67.578 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 598 | LEU | 0 | -0.010 | 0.001 | 63.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 599 | ILE | 0 | 0.011 | 0.011 | 64.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 600 | ALA | 0 | -0.045 | -0.023 | 68.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 601 | LEU | 0 | -0.010 | -0.015 | 70.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 602 | SER | 0 | -0.037 | -0.029 | 68.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 603 | LYS | 1 | 0.908 | 0.954 | 70.486 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 604 | ASP | -1 | -0.879 | -0.898 | 73.332 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 605 | GLU | -1 | -0.909 | -0.955 | 76.382 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 606 | THR | 0 | -0.073 | -0.051 | 78.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 607 | ASN | 0 | -0.120 | -0.081 | 73.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 608 | GLU | -1 | -0.891 | -0.923 | 76.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 609 | ASN | 0 | -0.087 | -0.083 | 71.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 610 | PRO | 0 | 0.020 | 0.017 | 75.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 611 | LYS | 1 | 0.750 | 0.856 | 70.694 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 612 | LEU | 0 | 0.009 | 0.007 | 71.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 613 | GLU | -1 | -0.812 | -0.927 | 74.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 614 | GLU | -1 | -0.920 | -0.964 | 77.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 615 | LEU | 0 | -0.058 | -0.017 | 71.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 616 | VAL | 0 | 0.001 | -0.008 | 74.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 617 | CYS | 0 | -0.002 | 0.004 | 76.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 618 | ILE | 0 | -0.037 | -0.018 | 77.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 619 | LEU | 0 | -0.043 | -0.025 | 72.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 620 | ASP | -1 | -0.737 | -0.828 | 77.467 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 621 | ASP | -1 | -0.839 | -0.901 | 80.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 622 | ALA | 0 | -0.024 | -0.004 | 78.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 623 | TYR | 0 | -0.078 | -0.066 | 73.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 624 | ARG | 1 | 0.831 | 0.894 | 80.464 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 625 | TYR | 0 | -0.107 | -0.083 | 83.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 626 | ASN | 0 | -0.021 | -0.014 | 81.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 627 | PRO | 0 | 0.051 | 0.034 | 80.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 628 | GLN | 0 | -0.108 | -0.044 | 78.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 629 | THR | 0 | -0.020 | -0.009 | 75.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 630 | ARG | 1 | 0.859 | 0.903 | 70.315 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 631 | THR | 0 | 0.050 | 0.013 | 71.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 632 | LEU | 0 | -0.042 | -0.013 | 65.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 633 | LEU | 0 | 0.019 | 0.010 | 67.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 634 | PHE | 0 | -0.022 | -0.009 | 63.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 635 | ALA | 0 | 0.050 | 0.019 | 64.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 636 | LYS | 1 | 0.878 | 0.919 | 63.174 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 637 | THR | 0 | 0.001 | -0.009 | 58.318 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 638 | ARG | 1 | 0.931 | 0.946 | 50.705 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 639 | ALA | 0 | 0.039 | 0.041 | 57.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 640 | LEU | 0 | 0.009 | 0.010 | 59.082 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 641 | VAL | 0 | -0.042 | -0.008 | 60.408 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 642 | SER | 0 | -0.009 | -0.008 | 58.858 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 643 | ALA | 0 | 0.003 | 0.003 | 61.257 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 644 | LEU | 0 | 0.012 | -0.007 | 64.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 645 | LYS | 1 | 0.810 | 0.904 | 62.512 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 646 | LYS | 1 | 0.921 | 0.955 | 62.397 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 647 | CYS | 0 | -0.077 | -0.034 | 66.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 648 | MET | 0 | -0.020 | -0.004 | 69.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 649 | GLU | -1 | -0.893 | -0.945 | 66.134 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 650 | GLU | -1 | -0.843 | -0.885 | 68.370 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 651 | ASN | 0 | 0.022 | 0.017 | 72.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 652 | PRO | 0 | 0.013 | -0.005 | 75.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 653 | ILE | 0 | -0.020 | 0.001 | 78.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 654 | LEU | 0 | -0.015 | -0.009 | 74.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 655 | ASN | 0 | 0.012 | 0.011 | 75.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 656 | TYR | 0 | -0.087 | -0.055 | 76.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 657 | ILE | 0 | -0.039 | -0.024 | 71.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 658 | LYS | 1 | 0.987 | 0.997 | 68.525 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 659 | PRO | 0 | 0.000 | 0.021 | 66.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 660 | GLY | 0 | 0.041 | 0.028 | 64.125 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 661 | VAL | 0 | -0.014 | -0.020 | 59.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 662 | LEU | 0 | -0.021 | 0.008 | 56.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 691 | ASP | -1 | -0.845 | -0.897 | 66.550 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 692 | ASN | 0 | -0.028 | -0.041 | 65.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 693 | ARG | 1 | 0.880 | 0.941 | 68.880 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 694 | LEU | 0 | 0.039 | 0.044 | 69.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 695 | LEU | 0 | -0.032 | 0.003 | 64.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 696 | ILE | 0 | 0.033 | 0.016 | 64.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 697 | ALA | 0 | 0.040 | 0.014 | 61.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 698 | THR | 0 | 0.023 | -0.003 | 58.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 699 | SER | 0 | -0.005 | 0.002 | 60.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 700 | VAL | 0 | -0.068 | -0.032 | 57.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 708 | VAL | 0 | 0.005 | -0.011 | 62.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 709 | GLN | 0 | -0.023 | -0.006 | 64.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 710 | CYS | 0 | -0.045 | 0.004 | 68.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 711 | ASN | 0 | -0.012 | -0.010 | 71.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 712 | LEU | 0 | 0.014 | 0.000 | 73.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 713 | VAL | 0 | 0.050 | 0.028 | 69.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 714 | VAL | 0 | 0.020 | -0.001 | 71.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 715 | LEU | 0 | -0.007 | -0.003 | 67.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 716 | TYR | 0 | -0.036 | -0.047 | 68.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 717 | GLU | -1 | -0.760 | -0.845 | 68.525 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 718 | TYR | 0 | -0.014 | -0.012 | 63.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 719 | SER | 0 | -0.041 | -0.034 | 67.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 720 | GLY | 0 | 0.063 | 0.027 | 66.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 721 | ASN | 0 | -0.048 | -0.034 | 67.470 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 722 | VAL | 0 | 0.097 | 0.048 | 68.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 723 | THR | 0 | -0.036 | -0.018 | 69.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 724 | LYS | 1 | 0.934 | 0.955 | 65.304 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 725 | MET | 0 | -0.018 | 0.024 | 62.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 726 | ILE | 0 | 0.039 | 0.005 | 65.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 727 | GLN | 0 | -0.068 | -0.033 | 65.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 728 | VAL | 0 | 0.005 | 0.019 | 60.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 736 | GLY | 0 | 0.078 | 0.044 | 75.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 737 | SER | 0 | -0.110 | -0.088 | 76.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 738 | LYS | 1 | 0.826 | 0.899 | 76.891 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 739 | CYS | 0 | -0.041 | 0.002 | 73.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 740 | ILE | 0 | 0.008 | 0.008 | 74.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 741 | LEU | 0 | -0.005 | -0.002 | 72.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 742 | VAL | 0 | 0.046 | 0.034 | 73.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 743 | THR | 0 | -0.031 | -0.016 | 73.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 744 | SER | 0 | -0.052 | -0.049 | 73.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 745 | LYS | 1 | 0.841 | 0.905 | 69.470 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 746 | THR | 0 | 0.038 | -0.003 | 76.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 747 | GLU | -1 | -0.791 | -0.868 | 71.437 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 748 | VAL | 0 | 0.054 | 0.019 | 72.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 749 | VAL | 0 | 0.013 | 0.012 | 74.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 750 | GLU | -1 | -0.791 | -0.889 | 78.447 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 751 | ASN | 0 | -0.051 | -0.006 | 73.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 752 | GLU | -1 | -0.805 | -0.888 | 75.253 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 753 | LYS | 1 | 0.902 | 0.948 | 76.644 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 754 | CYS | 0 | -0.036 | -0.013 | 78.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 755 | ASN | 0 | -0.012 | -0.020 | 73.846 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 756 | ARG | 1 | 0.836 | 0.896 | 77.086 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 757 | TYR | 0 | -0.035 | -0.015 | 79.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 758 | LYS | 1 | 0.959 | 0.972 | 76.331 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 759 | GLU | -1 | -0.809 | -0.881 | 76.743 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 760 | GLU | -1 | -0.823 | -0.889 | 78.470 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 761 | MET | 0 | 0.000 | 0.012 | 81.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 762 | MET | 0 | -0.027 | 0.002 | 75.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 763 | ASN | 0 | -0.063 | -0.038 | 78.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 764 | LYS | 1 | 0.863 | 0.917 | 81.017 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 765 | ALA | 0 | -0.016 | -0.007 | 81.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 766 | VAL | 0 | 0.006 | -0.001 | 77.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 767 | GLU | -1 | -0.883 | -0.927 | 81.077 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 768 | LYS | 1 | 0.802 | 0.872 | 84.007 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 769 | ILE | 0 | 0.024 | 0.016 | 80.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 770 | GLN | 0 | -0.079 | -0.067 | 79.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 771 | LYS | 1 | 0.831 | 0.906 | 83.809 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 772 | TRP | 0 | -0.023 | -0.003 | 83.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 773 | ASP | -1 | -0.785 | -0.856 | 86.832 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 774 | GLU | -1 | -0.779 | -0.895 | 82.375 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 775 | GLU | -1 | -0.821 | -0.892 | 84.257 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 776 | THR | 0 | -0.075 | -0.063 | 86.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 777 | PHE | 0 | -0.030 | -0.019 | 78.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 778 | ALA | 0 | 0.020 | 0.012 | 81.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 779 | LYS | 1 | 0.834 | 0.910 | 81.858 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 780 | LYS | 1 | 0.805 | 0.890 | 82.755 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 781 | ILE | 0 | 0.021 | 0.010 | 77.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 782 | HIS | 0 | 0.014 | 0.011 | 78.834 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 783 | ASN | 0 | 0.002 | -0.016 | 80.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 784 | LEU | 0 | -0.039 | -0.009 | 78.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 785 | GLN | 0 | -0.007 | -0.020 | 74.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 786 | MET | 0 | -0.050 | -0.017 | 76.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 787 | LYS | 1 | 0.856 | 0.913 | 77.699 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 788 | GLU | -1 | -0.783 | -0.860 | 74.281 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 789 | ARG | 1 | 0.864 | 0.947 | 74.558 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 790 | VAL | 0 | -0.053 | -0.012 | 75.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 791 | LEU | 0 | -0.082 | -0.045 | 74.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |