FMODB ID: M9MVZ
Calculation Name: 1CQZ-A-Xray372
Preferred Name: Epoxide hydratase
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 1CQZ
Chain ID: A
ChEMBL ID: CHEMBL4140
UniProt ID: P34914
Base Structure: X-ray
Registration Date: 2023-09-26
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 | 487 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9508457.896638 |
---|---|
FMO2-HF: Nuclear repulsion | 9311969.71289 |
FMO2-HF: Total energy | -196488.183749 |
FMO2-MP2: Total energy | -197050.976683 |
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:4:ARG)
Summations of interaction energy for
fragment #1(A:4:ARG)
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. |
-157.606 | -148.328 | 19.214 | -11.129 | -17.363 | -0.105 |
Interaction energy analysis for fragmet #1(A:4:ARG)
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 | 6 | ALA | 0 | -0.023 | -0.017 | 3.071 | -7.465 | -4.489 | 0.126 | -1.549 | -1.553 | -0.003 |
4 | A | 7 | ALA | 0 | 0.030 | 0.007 | 5.563 | 2.956 | 2.956 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 8 | PHE | 0 | 0.003 | -0.009 | 8.871 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 9 | ASP | -1 | -0.689 | -0.854 | 12.164 | -15.207 | -15.207 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 10 | LEU | 0 | 0.000 | -0.010 | 15.875 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | ASP | -1 | -0.759 | -0.836 | 19.101 | -13.407 | -13.407 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | GLY | 0 | 0.017 | -0.004 | 20.212 | 0.812 | 0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | VAL | 0 | -0.071 | -0.002 | 14.592 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | LEU | 0 | 0.020 | -0.007 | 13.990 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | ALA | 0 | -0.016 | -0.006 | 17.829 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | LEU | 0 | -0.033 | 0.001 | 21.472 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | PRO | 0 | 0.028 | -0.003 | 24.240 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | SER | 0 | 0.004 | 0.012 | 23.154 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | ILE | 0 | -0.061 | -0.007 | 25.191 | 0.482 | 0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 48 | GLY | 0 | 0.032 | 0.007 | 33.777 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 49 | PRO | 0 | 0.035 | 0.021 | 34.680 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 50 | THR | 0 | 0.064 | 0.011 | 30.741 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 51 | GLU | -1 | -0.873 | -0.925 | 29.006 | -10.827 | -10.827 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 52 | GLN | 0 | 0.022 | -0.012 | 29.333 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 53 | LEU | 0 | -0.017 | 0.007 | 30.227 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 54 | MET | 0 | -0.007 | 0.017 | 25.790 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 55 | LYS | 1 | 0.784 | 0.875 | 26.154 | 10.949 | 10.949 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 56 | GLY | 0 | 0.048 | 0.029 | 27.502 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 57 | LYS | 1 | 0.853 | 0.930 | 29.491 | 9.519 | 9.519 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 58 | ILE | 0 | -0.057 | -0.013 | 33.017 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 59 | THR | 0 | -0.019 | -0.044 | 33.031 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 60 | PHE | 0 | -0.012 | -0.005 | 32.626 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 61 | SER | 0 | -0.026 | -0.041 | 34.429 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 62 | GLN | 0 | -0.078 | -0.011 | 37.431 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 63 | TRP | 0 | -0.037 | -0.019 | 33.544 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 90 | GLN | 0 | 0.077 | 0.021 | 39.468 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 91 | ILE | 0 | -0.034 | -0.013 | 38.316 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 92 | PHE | 0 | 0.041 | 0.034 | 30.201 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 93 | SER | 0 | 0.038 | 0.020 | 34.077 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 94 | GLN | 0 | 0.010 | -0.031 | 33.981 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 95 | ALA | 0 | -0.021 | -0.002 | 31.809 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 96 | MET | 0 | -0.051 | 0.007 | 28.633 | -0.448 | -0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 97 | ALA | 0 | 0.054 | 0.016 | 29.342 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 98 | ALA | 0 | -0.081 | -0.033 | 31.301 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 99 | ARG | 1 | 0.801 | 0.891 | 22.944 | 12.051 | 12.051 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 100 | SER | 0 | -0.010 | -0.004 | 25.984 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 101 | ILE | 0 | 0.038 | 0.018 | 20.056 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 102 | ASN | 0 | -0.026 | -0.018 | 18.796 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 103 | ARG | 1 | 0.850 | 0.887 | 18.632 | 11.933 | 11.933 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 104 | PRO | 0 | -0.023 | -0.007 | 18.400 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 105 | MET | 0 | 0.011 | 0.021 | 12.869 | -0.602 | -0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 106 | LEU | 0 | 0.021 | 0.015 | 13.880 | -1.198 | -1.198 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 107 | GLN | 0 | -0.022 | -0.019 | 14.758 | -1.235 | -1.235 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 108 | ALA | 0 | -0.017 | 0.010 | 11.700 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 109 | ALA | 0 | 0.052 | 0.025 | 10.079 | -1.759 | -1.759 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 110 | ILE | 0 | 0.005 | -0.001 | 10.586 | -1.217 | -1.217 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 111 | ALA | 0 | -0.047 | -0.016 | 11.783 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 112 | LEU | 0 | -0.030 | -0.019 | 5.742 | -0.962 | -0.962 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 113 | LYS | 1 | 0.904 | 0.955 | 7.424 | 16.557 | 16.557 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 114 | LYS | 1 | 0.847 | 0.921 | 9.157 | 16.578 | 16.578 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 115 | LYS | 1 | 0.806 | 0.901 | 5.824 | 36.263 | 36.263 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 116 | GLY | 0 | 0.013 | 0.014 | 6.307 | -1.242 | -1.242 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 117 | PHE | 0 | -0.079 | -0.051 | 2.908 | -11.707 | -8.340 | 1.744 | -1.472 | -3.640 | -0.015 |
61 | A | 118 | THR | 0 | 0.017 | 0.022 | 3.735 | 3.507 | 4.037 | 0.000 | -0.179 | -0.351 | 0.000 |
62 | A | 119 | THR | 0 | -0.056 | -0.059 | 5.946 | -2.830 | -2.830 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 120 | CYS | 0 | -0.046 | -0.015 | 8.747 | 1.873 | 1.873 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 121 | ILE | 0 | 0.018 | 0.008 | 11.253 | -0.394 | -0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 122 | VAL | 0 | -0.009 | -0.005 | 12.767 | 0.439 | 0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 123 | THR | 0 | -0.061 | -0.039 | 15.608 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 124 | ASN | 0 | -0.001 | -0.010 | 19.025 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 125 | ASN | 0 | -0.002 | -0.008 | 22.440 | 0.694 | 0.694 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 126 | TRP | 0 | -0.023 | -0.043 | 24.158 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 127 | LEU | 0 | 0.046 | 0.025 | 27.868 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 128 | ASP | -1 | -0.840 | -0.922 | 29.810 | -9.056 | -9.056 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 129 | ASP | -1 | -0.729 | -0.835 | 31.707 | -8.534 | -8.534 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 130 | GLY | 0 | 0.022 | 0.021 | 34.729 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 131 | ASP | -1 | -0.883 | -0.939 | 36.589 | -7.959 | -7.959 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 132 | LYS | 1 | 0.819 | 0.901 | 35.343 | 8.169 | 8.169 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 133 | ARG | 1 | 0.896 | 0.954 | 32.432 | 8.236 | 8.236 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 134 | ASP | -1 | -0.890 | -0.947 | 31.115 | -9.195 | -9.195 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 135 | SER | 0 | 0.046 | 0.023 | 30.293 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 136 | LEU | 0 | 0.051 | 0.020 | 25.323 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 137 | ALA | 0 | -0.022 | -0.003 | 26.237 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 138 | GLN | 0 | -0.041 | -0.033 | 26.819 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 139 | MET | 0 | -0.014 | 0.003 | 22.747 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 140 | MET | 0 | 0.015 | -0.007 | 21.888 | -0.815 | -0.815 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 141 | CYS | 0 | -0.036 | -0.024 | 22.066 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 142 | GLU | -1 | -0.798 | -0.853 | 21.740 | -12.588 | -12.588 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 143 | LEU | 0 | -0.021 | -0.026 | 17.457 | -0.592 | -0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 144 | SER | 0 | 0.019 | 0.004 | 17.746 | -0.773 | -0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 145 | GLN | 0 | -0.030 | -0.002 | 17.155 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 146 | HIS | 0 | -0.035 | -0.034 | 14.428 | -1.102 | -1.102 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 147 | PHE | 0 | 0.005 | 0.004 | 11.756 | -1.188 | -1.188 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 148 | ASP | -1 | -0.799 | -0.862 | 8.874 | -25.322 | -25.322 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 149 | PHE | 0 | -0.017 | -0.014 | 9.045 | 0.845 | 0.845 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 150 | LEU | 0 | 0.015 | 0.002 | 13.391 | -0.624 | -0.624 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 151 | ILE | 0 | -0.038 | -0.016 | 13.605 | 0.606 | 0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 152 | GLU | -1 | -0.793 | -0.886 | 17.409 | -12.861 | -12.861 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 153 | SER | 0 | 0.012 | -0.022 | 20.629 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 154 | CYS | 0 | -0.058 | -0.018 | 22.611 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 155 | GLN | 0 | -0.065 | -0.036 | 22.778 | 0.828 | 0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 156 | VAL | 0 | -0.056 | -0.032 | 19.836 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 157 | GLY | 0 | 0.007 | 0.026 | 23.121 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 158 | MET | 0 | -0.088 | -0.044 | 20.120 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 159 | ILE | 0 | 0.010 | 0.007 | 22.270 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 160 | LYS | 1 | 0.770 | 0.886 | 17.531 | 15.445 | 15.445 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 161 | PRO | 0 | 0.006 | -0.010 | 20.247 | 0.615 | 0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 162 | GLU | -1 | -0.829 | -0.914 | 20.969 | -12.389 | -12.389 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 163 | PRO | 0 | 0.009 | -0.017 | 19.088 | -0.682 | -0.682 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 164 | GLN | 0 | 0.007 | 0.005 | 18.361 | -0.720 | -0.720 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 165 | ILE | 0 | 0.037 | 0.021 | 17.346 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 166 | TYR | 0 | -0.046 | -0.038 | 13.724 | -0.642 | -0.642 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 167 | ASN | 0 | -0.041 | -0.028 | 13.408 | -1.727 | -1.727 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 168 | PHE | 0 | 0.087 | 0.045 | 14.445 | -0.778 | -0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 169 | LEU | 0 | 0.016 | 0.019 | 10.315 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 170 | LEU | 0 | -0.001 | -0.011 | 9.266 | -1.342 | -1.342 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 171 | ASP | -1 | -0.890 | -0.933 | 10.701 | -19.255 | -19.255 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 172 | THR | 0 | -0.056 | -0.040 | 12.861 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 173 | LEU | 0 | -0.039 | -0.019 | 7.352 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 174 | LYS | 1 | 0.769 | 0.889 | 8.715 | 21.784 | 21.784 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 175 | ALA | 0 | -0.005 | 0.008 | 5.177 | -1.753 | -1.753 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 176 | LYS | 1 | 0.862 | 0.916 | 5.869 | 41.968 | 41.968 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 177 | PRO | 0 | 0.058 | 0.028 | 6.264 | -5.023 | -5.023 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 178 | ASN | 0 | -0.002 | -0.010 | 3.710 | -0.493 | 0.256 | 0.001 | -0.372 | -0.377 | -0.001 |
122 | A | 179 | GLU | -1 | -0.855 | -0.917 | 1.855 | -87.094 | -87.201 | 14.796 | -6.783 | -7.906 | -0.056 |
123 | A | 180 | VAL | 0 | 0.055 | 0.035 | 2.420 | -1.060 | 0.000 | 2.541 | -0.694 | -2.907 | -0.030 |
124 | A | 181 | VAL | 0 | 0.003 | 0.014 | 3.482 | 0.768 | 1.236 | 0.008 | -0.067 | -0.409 | 0.000 |
125 | A | 182 | PHE | 0 | -0.010 | -0.024 | 6.011 | 1.941 | 1.941 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 183 | LEU | 0 | -0.016 | 0.010 | 9.119 | 1.107 | 1.107 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 184 | ASP | -1 | -0.734 | -0.896 | 12.335 | -15.489 | -15.489 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 185 | ASP | -1 | -0.792 | -0.906 | 16.049 | -14.364 | -14.364 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 186 | PHE | 0 | 0.003 | 0.016 | 19.430 | 0.808 | 0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 187 | GLY | 0 | -0.009 | 0.006 | 18.343 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 188 | SER | 0 | -0.028 | -0.030 | 19.139 | -0.629 | -0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 189 | ASN | 0 | 0.008 | -0.008 | 18.459 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 190 | LEU | 0 | 0.013 | 0.024 | 13.472 | -0.920 | -0.920 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 191 | LYS | 1 | 0.790 | 0.893 | 15.325 | 15.068 | 15.068 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 192 | PRO | 0 | 0.046 | 0.023 | 16.588 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 193 | ALA | 0 | 0.024 | 0.019 | 12.043 | -0.698 | -0.698 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 194 | ARG | 1 | 0.858 | 0.921 | 8.993 | 25.573 | 25.573 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 195 | ASP | -1 | -0.841 | -0.911 | 12.820 | -17.296 | -17.296 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 196 | MET | 0 | -0.043 | -0.013 | 11.657 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 197 | GLY | 0 | 0.014 | 0.007 | 9.647 | -1.107 | -1.107 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 198 | MET | 0 | -0.049 | 0.001 | 7.137 | -2.945 | -2.945 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 199 | VAL | 0 | -0.015 | -0.010 | 4.797 | 3.774 | 3.858 | -0.001 | -0.001 | -0.082 | 0.000 |
143 | A | 200 | THR | 0 | -0.037 | -0.008 | 7.494 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 201 | ILE | 0 | -0.015 | -0.014 | 8.393 | 0.619 | 0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 202 | LEU | 0 | -0.003 | 0.002 | 12.342 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 203 | VAL | 0 | -0.016 | -0.010 | 15.225 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 204 | HIS | 0 | -0.003 | -0.001 | 17.483 | 0.554 | 0.554 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 205 | ASN | 0 | 0.018 | 0.005 | 18.204 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 206 | THR | 0 | 0.041 | 0.002 | 20.407 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 207 | ALA | 0 | 0.077 | 0.035 | 17.759 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 208 | SER | 0 | -0.022 | 0.006 | 17.053 | -0.922 | -0.922 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 209 | ALA | 0 | 0.054 | 0.013 | 17.193 | -0.661 | -0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 210 | LEU | 0 | -0.030 | 0.001 | 13.101 | -0.674 | -0.674 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 211 | ARG | 1 | 0.952 | 0.949 | 12.704 | 15.316 | 15.316 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 212 | GLU | -1 | -0.860 | -0.905 | 12.735 | -18.039 | -18.039 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 213 | LEU | 0 | -0.001 | -0.003 | 10.563 | -0.762 | -0.762 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 214 | GLU | -1 | -0.848 | -0.941 | 8.183 | -28.677 | -28.677 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 215 | LYS | 1 | 0.786 | 0.894 | 8.099 | 15.280 | 15.280 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 216 | VAL | 0 | -0.091 | -0.045 | 9.579 | -1.162 | -1.162 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 217 | THR | 0 | -0.066 | -0.039 | 5.389 | -1.432 | -1.432 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 218 | GLY | 0 | 0.021 | 0.024 | 4.526 | -7.626 | -7.475 | -0.001 | -0.012 | -0.138 | 0.000 |
162 | A | 219 | THR | 0 | -0.041 | -0.029 | 6.322 | -0.973 | -0.973 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 220 | GLN | 0 | 0.017 | 0.016 | 9.813 | 0.749 | 0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 221 | PHE | 0 | 0.060 | 0.022 | 9.251 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 222 | PRO | 0 | 0.027 | 0.014 | 14.949 | 0.550 | 0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 223 | GLU | -1 | -0.919 | -0.951 | 18.591 | -14.127 | -14.127 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 224 | ALA | 0 | -0.028 | -0.007 | 21.390 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 225 | PRO | 0 | -0.031 | -0.002 | 19.036 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 226 | LEU | 0 | 0.047 | 0.019 | 21.117 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 227 | PRO | 0 | -0.043 | -0.013 | 21.635 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 228 | VAL | 0 | 0.039 | 0.005 | 19.109 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 229 | PRO | 0 | -0.007 | 0.010 | 19.273 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 230 | CYS | 0 | -0.069 | -0.004 | 20.219 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 231 | ASN | 0 | 0.002 | -0.029 | 17.491 | -0.550 | -0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 232 | PRO | 0 | 0.042 | 0.011 | 20.448 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 233 | ASN | 0 | -0.036 | -0.008 | 18.682 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 234 | ASP | -1 | -0.871 | -0.920 | 18.142 | -14.508 | -14.508 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 235 | VAL | 0 | -0.046 | -0.025 | 21.189 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 236 | SER | 0 | 0.007 | 0.020 | 24.895 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 237 | HIS | 0 | 0.017 | 0.003 | 25.738 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 238 | GLY | 0 | 0.021 | 0.030 | 30.512 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 239 | TYR | 0 | -0.014 | -0.033 | 32.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 240 | VAL | 0 | 0.009 | 0.013 | 37.249 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 241 | THR | 0 | 0.027 | 0.010 | 40.955 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 242 | VAL | 0 | 0.018 | 0.031 | 43.961 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 243 | LYS | 1 | 0.836 | 0.891 | 46.373 | 6.139 | 6.139 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 244 | PRO | 0 | -0.005 | -0.005 | 47.464 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 245 | GLY | 0 | 0.048 | 0.036 | 46.861 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 246 | ILE | 0 | -0.082 | -0.041 | 44.788 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 247 | ARG | 1 | 0.912 | 0.952 | 36.871 | 7.675 | 7.675 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 248 | LEU | 0 | 0.019 | 0.018 | 39.253 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 249 | HIS | 1 | 0.840 | 0.891 | 30.561 | 8.954 | 8.954 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 250 | PHE | 0 | -0.025 | -0.012 | 33.834 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 251 | VAL | 0 | 0.024 | 0.026 | 27.534 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 252 | GLU | -1 | -0.853 | -0.910 | 29.951 | -8.219 | -8.219 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 253 | MET | 0 | 0.010 | 0.008 | 24.133 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 254 | GLY | 0 | 0.062 | 0.042 | 29.453 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 255 | SER | 0 | -0.051 | -0.034 | 30.998 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 256 | GLY | 0 | -0.016 | 0.005 | 34.427 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 257 | PRO | 0 | 0.061 | 0.035 | 37.966 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 258 | ALA | 0 | 0.013 | -0.002 | 38.000 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 259 | LEU | 0 | -0.010 | 0.001 | 34.531 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 260 | CYS | 0 | -0.030 | -0.006 | 36.627 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 261 | LEU | 0 | 0.012 | 0.015 | 31.925 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 262 | CYS | 0 | -0.010 | -0.017 | 35.976 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 263 | HIS | 0 | -0.020 | 0.010 | 34.378 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 264 | GLY | 0 | 0.053 | 0.015 | 36.344 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 265 | PHE | 0 | -0.013 | 0.006 | 37.366 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 266 | PRO | 0 | -0.058 | -0.018 | 35.557 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 267 | GLU | -1 | -0.753 | -0.878 | 33.209 | -8.916 | -8.916 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 268 | SER | 0 | 0.013 | -0.010 | 30.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 269 | TRP | 0 | 0.029 | -0.007 | 25.033 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 270 | PHE | 0 | 0.024 | 0.016 | 22.758 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 271 | SER | 0 | -0.001 | -0.018 | 27.402 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 272 | TRP | 0 | -0.032 | -0.008 | 29.336 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 273 | ARG | 1 | 0.816 | 0.875 | 23.348 | 10.926 | 10.926 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 274 | TYR | 0 | 0.039 | -0.004 | 22.039 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 275 | GLN | 0 | -0.037 | -0.035 | 25.788 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 276 | ILE | 0 | -0.005 | 0.004 | 26.822 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 277 | PRO | 0 | 0.034 | 0.010 | 23.280 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 278 | ALA | 0 | 0.015 | 0.014 | 26.014 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 279 | LEU | 0 | -0.017 | -0.021 | 28.010 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 280 | ALA | 0 | 0.004 | 0.013 | 28.361 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 281 | GLN | 0 | -0.070 | -0.064 | 24.263 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 282 | ALA | 0 | -0.051 | -0.015 | 29.096 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 283 | GLY | 0 | -0.010 | 0.007 | 32.389 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 284 | PHE | 0 | 0.000 | -0.005 | 33.437 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 285 | ARG | 1 | 0.812 | 0.893 | 33.216 | 7.692 | 7.692 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 286 | VAL | 0 | 0.025 | 0.005 | 31.111 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 287 | LEU | 0 | -0.011 | -0.016 | 32.900 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 288 | ALA | 0 | 0.001 | 0.001 | 31.118 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 289 | ILE | 0 | 0.002 | -0.010 | 33.068 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 290 | ASP | -1 | -0.764 | -0.856 | 33.135 | -8.854 | -8.854 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 291 | MET | 0 | -0.018 | 0.012 | 35.607 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 292 | LYS | 1 | 0.769 | 0.842 | 39.115 | 6.278 | 6.278 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 293 | GLY | 0 | 0.001 | 0.004 | 41.183 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 294 | TYR | 0 | 0.029 | 0.016 | 35.957 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 295 | GLY | 0 | 0.047 | 0.015 | 33.578 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 296 | ASP | -1 | -0.820 | -0.879 | 31.622 | -8.961 | -8.961 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 297 | SER | 0 | -0.054 | -0.039 | 34.983 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 298 | SER | 0 | -0.049 | -0.029 | 38.355 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 299 | SER | 0 | 0.024 | 0.012 | 40.566 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 300 | PRO | 0 | -0.014 | 0.010 | 42.595 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 301 | PRO | 0 | 0.038 | 0.035 | 46.334 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 302 | GLU | -1 | -0.828 | -0.931 | 48.147 | -5.846 | -5.846 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 303 | ILE | 0 | 0.014 | 0.007 | 49.755 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 304 | GLU | -1 | -0.788 | -0.893 | 51.161 | -5.571 | -5.571 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 305 | GLU | -1 | -0.764 | -0.855 | 48.393 | -5.994 | -5.994 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 306 | TYR | 0 | -0.016 | -0.037 | 43.899 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 307 | ALA | 0 | -0.005 | 0.005 | 48.915 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 308 | MET | 0 | 0.019 | 0.014 | 46.892 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 309 | GLU | -1 | -0.862 | -0.917 | 50.488 | -5.401 | -5.401 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 310 | LEU | 0 | -0.076 | -0.033 | 49.441 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 311 | LEU | 0 | 0.031 | 0.019 | 45.209 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 312 | CYS | 0 | -0.020 | -0.005 | 47.038 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 313 | LYS | 1 | 0.899 | 0.944 | 48.664 | 5.461 | 5.461 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 314 | GLU | -1 | -0.791 | -0.884 | 46.247 | -6.281 | -6.281 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 315 | MET | 0 | 0.014 | 0.003 | 41.656 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 316 | VAL | 0 | 0.000 | 0.006 | 45.306 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 317 | THR | 0 | -0.041 | -0.030 | 47.477 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 318 | PHE | 0 | -0.014 | -0.024 | 37.972 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 319 | LEU | 0 | 0.013 | 0.013 | 42.193 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 320 | ASP | -1 | -0.807 | -0.866 | 44.408 | -6.131 | -6.131 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 321 | LYS | 1 | 0.772 | 0.883 | 44.426 | 6.283 | 6.283 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 322 | LEU | 0 | -0.022 | 0.003 | 39.045 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 323 | GLY | 0 | -0.014 | 0.001 | 42.605 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 324 | ILE | 0 | -0.060 | -0.021 | 39.959 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 325 | PRO | 0 | -0.007 | 0.002 | 44.496 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 326 | GLN | 0 | -0.024 | -0.047 | 45.987 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 327 | ALA | 0 | 0.003 | 0.017 | 41.349 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 328 | VAL | 0 | -0.020 | 0.000 | 40.207 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 329 | PHE | 0 | 0.012 | 0.007 | 40.358 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 330 | ILE | 0 | 0.003 | -0.006 | 35.466 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 331 | GLY | 0 | 0.002 | 0.004 | 38.828 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 332 | HIS | 0 | 0.013 | -0.002 | 36.328 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 333 | ASP | -1 | -0.737 | -0.827 | 39.538 | -7.189 | -7.189 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 334 | TRP | 0 | 0.018 | -0.018 | 41.397 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 335 | ALA | 0 | 0.036 | 0.022 | 40.128 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 336 | GLY | 0 | 0.014 | 0.011 | 42.223 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 337 | VAL | 0 | -0.018 | -0.005 | 43.402 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 338 | MET | 0 | 0.011 | 0.007 | 42.542 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 339 | VAL | 0 | 0.011 | 0.006 | 41.946 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 340 | TRP | 0 | -0.002 | -0.019 | 45.378 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 341 | ASN | 0 | -0.058 | -0.051 | 48.355 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 342 | MET | 0 | -0.019 | -0.010 | 46.328 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 343 | ALA | 0 | 0.018 | 0.013 | 48.725 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 344 | LEU | 0 | -0.054 | -0.006 | 50.425 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 345 | PHE | 0 | -0.036 | -0.026 | 52.833 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 346 | TYR | 0 | 0.000 | 0.010 | 50.733 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 347 | PRO | 0 | 0.044 | 0.022 | 51.056 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 348 | GLU | -1 | -0.866 | -0.939 | 51.279 | -5.716 | -5.716 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 349 | ARG | 1 | 0.783 | 0.870 | 48.265 | 5.979 | 5.979 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 350 | VAL | 0 | -0.032 | -0.014 | 46.606 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 351 | ARG | 1 | 0.920 | 0.970 | 44.133 | 6.682 | 6.682 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 352 | ALA | 0 | -0.020 | -0.022 | 44.239 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 353 | VAL | 0 | -0.016 | -0.010 | 43.937 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 354 | ALA | 0 | 0.019 | 0.009 | 40.515 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 355 | SER | 0 | -0.060 | -0.041 | 41.632 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 356 | LEU | 0 | 0.029 | 0.020 | 35.551 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 357 | ASN | 0 | 0.009 | -0.005 | 38.713 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 358 | THR | 0 | -0.045 | -0.034 | 41.816 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 359 | PRO | 0 | 0.046 | 0.025 | 44.576 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 360 | PHE | 0 | 0.016 | -0.017 | 47.875 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 361 | MET | 0 | -0.041 | -0.018 | 48.466 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 362 | PRO | 0 | -0.020 | 0.000 | 52.856 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 363 | PRO | 0 | -0.031 | -0.020 | 55.766 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 364 | ASP | -1 | -0.843 | -0.922 | 58.361 | -5.054 | -5.054 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 365 | PRO | 0 | -0.051 | -0.031 | 62.006 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 366 | ASP | -1 | -0.894 | -0.957 | 64.471 | -4.622 | -4.622 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 367 | VAL | 0 | -0.018 | -0.004 | 62.347 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 368 | SER | 0 | -0.014 | 0.000 | 61.945 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 369 | PRO | 0 | 0.080 | 0.042 | 56.946 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 370 | MET | 0 | 0.030 | 0.002 | 55.320 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 371 | LYS | 1 | 0.905 | 0.962 | 58.707 | 4.709 | 4.709 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 372 | VAL | 0 | 0.074 | 0.042 | 56.321 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 373 | ILE | 0 | 0.009 | 0.008 | 52.775 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 374 | ARG | 1 | 0.908 | 0.935 | 54.987 | 5.047 | 5.047 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 375 | SER | 0 | -0.077 | -0.030 | 57.417 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 376 | ILE | 0 | 0.010 | 0.016 | 52.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 377 | PRO | 0 | 0.061 | 0.030 | 53.275 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 378 | VAL | 0 | 0.007 | -0.002 | 47.185 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 379 | PHE | 0 | -0.021 | -0.021 | 48.343 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 380 | ASN | 0 | 0.023 | 0.036 | 50.474 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 381 | TYR | 0 | 0.014 | -0.024 | 44.701 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 382 | GLN | 0 | 0.004 | 0.024 | 48.078 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 383 | LEU | 0 | -0.050 | -0.024 | 49.312 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 384 | TYR | 0 | -0.028 | -0.033 | 45.728 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 385 | PHE | 0 | 0.018 | -0.013 | 42.531 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 386 | GLN | 0 | -0.030 | -0.013 | 48.325 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 387 | GLU | -1 | -0.892 | -0.945 | 51.606 | -5.451 | -5.451 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 388 | PRO | 0 | -0.072 | -0.046 | 50.165 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 389 | GLY | 0 | 0.010 | 0.015 | 47.750 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 390 | VAL | 0 | 0.009 | 0.002 | 47.330 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 391 | ALA | 0 | 0.037 | 0.020 | 45.332 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 392 | GLU | -1 | -0.757 | -0.865 | 43.103 | -6.521 | -6.521 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 393 | ALA | 0 | 0.035 | 0.023 | 42.363 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 394 | GLU | -1 | -0.757 | -0.845 | 42.439 | -6.899 | -6.899 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 395 | LEU | 0 | -0.026 | -0.005 | 39.342 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 396 | GLU | -1 | -0.849 | -0.919 | 38.013 | -7.461 | -7.461 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 397 | LYS | 1 | 0.779 | 0.892 | 37.770 | 7.130 | 7.130 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 398 | ASN | 0 | 0.021 | -0.004 | 33.723 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 399 | MET | 0 | 0.032 | 0.024 | 33.182 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 400 | SER | 0 | 0.026 | 0.029 | 28.621 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 401 | ARG | 1 | 0.855 | 0.923 | 31.167 | 7.623 | 7.623 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 402 | THR | 0 | -0.024 | -0.028 | 33.632 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 403 | PHE | 0 | 0.022 | -0.004 | 30.845 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 404 | LYS | 1 | 0.860 | 0.925 | 26.034 | 10.604 | 10.604 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 405 | SER | 0 | -0.013 | -0.003 | 31.333 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 406 | PHE | 0 | -0.028 | -0.025 | 34.739 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 407 | PHE | 0 | -0.037 | -0.009 | 30.403 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 408 | ARG | 1 | 0.786 | 0.877 | 30.891 | 8.795 | 8.795 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 409 | ALA | 0 | 0.014 | 0.015 | 31.183 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 410 | SER | 0 | -0.043 | -0.054 | 33.276 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 411 | ASP | -1 | -0.827 | -0.918 | 32.282 | -9.138 | -9.138 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 412 | GLU | -1 | -0.770 | -0.834 | 30.611 | -9.939 | -9.939 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 413 | THR | 0 | 0.010 | 0.000 | 34.965 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 414 | GLY | 0 | 0.020 | 0.005 | 35.696 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 415 | PHE | 0 | -0.006 | 0.005 | 36.579 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 416 | ILE | 0 | 0.049 | 0.023 | 37.854 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 417 | ALA | 0 | 0.006 | 0.024 | 41.116 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 418 | VAL | 0 | -0.028 | -0.031 | 43.302 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 419 | HIS | 0 | 0.027 | 0.001 | 46.019 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 420 | LYS | 1 | 0.940 | 0.971 | 47.007 | 6.550 | 6.550 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 421 | ALA | 0 | 0.037 | 0.035 | 47.335 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 422 | THR | 0 | -0.038 | -0.033 | 49.012 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 423 | GLU | -1 | -1.008 | -1.009 | 52.038 | -5.490 | -5.490 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 424 | ILE | 0 | -0.057 | -0.030 | 46.728 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 425 | GLY | 0 | -0.013 | 0.007 | 50.317 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 426 | GLY | 0 | 0.014 | 0.004 | 46.685 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 427 | ILE | 0 | -0.062 | -0.041 | 42.123 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 428 | LEU | 0 | -0.024 | -0.023 | 38.756 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 429 | VAL | 0 | 0.005 | 0.017 | 42.099 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 430 | ASN | 0 | -0.068 | -0.042 | 42.558 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 431 | THR | 0 | -0.049 | -0.015 | 37.557 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 432 | PRO | 0 | 0.023 | 0.010 | 36.086 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 433 | GLU | -1 | -0.757 | -0.877 | 37.119 | -7.587 | -7.587 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 434 | ASP | -1 | -0.954 | -0.971 | 33.071 | -8.662 | -8.662 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 435 | PRO | 0 | -0.042 | -0.014 | 32.218 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 436 | ASN | 0 | 0.024 | 0.021 | 28.776 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 437 | LEU | 0 | -0.037 | -0.015 | 22.942 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 438 | SER | 0 | -0.017 | -0.023 | 27.285 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 439 | LYS | 1 | 0.783 | 0.866 | 25.356 | 9.457 | 9.457 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 440 | ILE | 0 | -0.037 | -0.007 | 25.188 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 441 | THR | 0 | -0.047 | -0.022 | 24.884 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 442 | THR | 0 | -0.019 | -0.044 | 19.092 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 443 | GLU | -1 | -0.784 | -0.886 | 20.797 | -10.878 | -10.878 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 444 | GLU | -1 | -0.755 | -0.885 | 17.143 | -14.478 | -14.478 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 445 | GLU | -1 | -0.806 | -0.835 | 20.625 | -11.818 | -11.818 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 446 | ILE | 0 | -0.001 | -0.005 | 23.356 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 447 | GLU | -1 | -0.926 | -0.972 | 21.478 | -11.815 | -11.815 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 448 | PHE | 0 | 0.017 | 0.010 | 24.339 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 449 | TYR | 0 | 0.011 | -0.002 | 26.064 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 450 | ILE | 0 | -0.007 | 0.001 | 28.091 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 451 | GLN | 0 | -0.033 | -0.013 | 25.937 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 452 | GLN | 0 | -0.024 | -0.020 | 29.343 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 453 | PHE | 0 | 0.048 | 0.011 | 31.638 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 454 | LYS | 1 | 0.882 | 0.937 | 32.271 | 8.560 | 8.560 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 455 | LYS | 1 | 0.775 | 0.889 | 30.684 | 9.153 | 9.153 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 456 | THR | 0 | -0.060 | -0.022 | 35.778 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 457 | GLY | 0 | -0.001 | 0.019 | 37.938 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 458 | PHE | 0 | 0.020 | -0.026 | 36.228 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 459 | ARG | 1 | 0.858 | 0.931 | 40.796 | 6.216 | 6.216 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 460 | GLY | 0 | 0.032 | 0.023 | 43.076 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 461 | PRO | 0 | -0.012 | -0.017 | 39.258 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 462 | LEU | 0 | 0.002 | 0.008 | 41.963 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 463 | ASN | 0 | -0.012 | -0.014 | 44.917 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 464 | TRP | 0 | -0.017 | -0.007 | 42.759 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 465 | TYR | 0 | 0.018 | 0.015 | 43.587 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 466 | ARG | 1 | 0.787 | 0.885 | 47.493 | 6.351 | 6.351 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 467 | ASN | 0 | -0.012 | -0.007 | 50.209 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 468 | THR | 0 | -0.035 | -0.023 | 52.694 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 469 | GLU | -1 | -0.810 | -0.899 | 54.405 | -4.968 | -4.968 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 470 | ARG | 1 | 0.806 | 0.876 | 54.509 | 5.503 | 5.503 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 471 | ASN | 0 | 0.065 | 0.031 | 50.856 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 472 | TRP | 0 | 0.002 | 0.016 | 54.880 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 473 | LYS | 1 | 0.909 | 0.949 | 57.660 | 4.914 | 4.914 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 474 | TRP | 0 | -0.028 | -0.005 | 52.045 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 475 | SER | 0 | 0.058 | 0.004 | 55.205 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 476 | CYS | 0 | -0.008 | -0.009 | 57.219 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 477 | LYS | 1 | 0.837 | 0.919 | 60.130 | 5.100 | 5.100 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 478 | GLY | 0 | 0.013 | 0.000 | 58.574 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 479 | LEU | 0 | -0.014 | 0.001 | 59.312 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 480 | GLY | 0 | -0.015 | -0.001 | 61.274 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 481 | ARG | 1 | 0.793 | 0.901 | 57.106 | 5.305 | 5.305 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 482 | LYS | 1 | 0.894 | 0.944 | 57.832 | 5.142 | 5.142 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 483 | ILE | 0 | -0.017 | 0.005 | 51.195 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 484 | LEU | 0 | 0.004 | -0.020 | 54.542 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 485 | VAL | 0 | 0.016 | 0.033 | 49.550 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 486 | PRO | 0 | -0.007 | -0.006 | 47.089 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 487 | ALA | 0 | 0.021 | 0.005 | 46.689 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 488 | LEU | 0 | 0.005 | 0.019 | 40.787 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 489 | MET | 0 | -0.039 | -0.024 | 44.020 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 490 | VAL | 0 | 0.018 | 0.018 | 38.235 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 491 | THR | 0 | -0.023 | -0.013 | 41.522 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 492 | ALA | 0 | 0.023 | 0.008 | 38.903 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 493 | GLU | -1 | -0.870 | -0.941 | 40.289 | -7.409 | -7.409 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 494 | LYS | 1 | 0.781 | 0.893 | 37.095 | 8.308 | 8.308 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 495 | ASP | -1 | -0.772 | -0.869 | 40.931 | -7.449 | -7.449 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 496 | ILE | 0 | 0.002 | 0.007 | 40.534 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 497 | VAL | 0 | -0.029 | -0.022 | 43.297 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 498 | LEU | 0 | -0.018 | -0.016 | 42.639 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 499 | ARG | 1 | 0.882 | 0.933 | 44.528 | 6.284 | 6.284 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 500 | PRO | 0 | 0.060 | 0.020 | 44.183 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 501 | GLU | -1 | -0.827 | -0.895 | 46.764 | -6.083 | -6.083 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 502 | MET | 0 | -0.027 | 0.010 | 48.937 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 503 | SER | 0 | 0.008 | -0.006 | 48.127 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 504 | LYS | 1 | 0.888 | 0.954 | 50.286 | 5.568 | 5.568 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 505 | ASN | 0 | 0.008 | -0.001 | 53.062 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 506 | MET | 0 | 0.012 | 0.058 | 48.265 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 507 | GLU | -1 | -0.735 | -0.848 | 52.583 | -5.858 | -5.858 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 508 | LYS | 1 | 0.836 | 0.945 | 55.251 | 5.240 | 5.240 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 509 | TRP | 0 | -0.015 | -0.030 | 55.279 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 510 | ILE | 0 | 0.008 | 0.012 | 51.037 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 511 | PRO | 0 | 0.040 | 0.026 | 53.912 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 512 | PHE | 0 | 0.000 | -0.022 | 53.162 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 513 | LEU | 0 | -0.047 | 0.003 | 48.147 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 514 | LYS | 1 | 0.800 | 0.895 | 45.775 | 6.377 | 6.377 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 515 | ARG | 1 | 0.805 | 0.838 | 45.615 | 6.183 | 6.183 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 516 | GLY | 0 | 0.031 | 0.021 | 41.675 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 517 | HIS | 0 | -0.098 | -0.057 | 41.197 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 518 | ILE | 0 | 0.042 | 0.019 | 35.179 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 519 | GLU | -1 | -0.815 | -0.911 | 37.697 | -7.652 | -7.652 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 520 | ASP | -1 | -0.885 | -0.952 | 34.999 | -8.595 | -8.595 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 521 | CYS | 0 | -0.062 | -0.014 | 35.000 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 522 | GLY | 0 | 0.023 | 0.007 | 36.136 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 523 | HIS | 1 | 0.785 | 0.856 | 37.513 | 7.405 | 7.405 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 524 | TRP | 0 | 0.005 | 0.010 | 32.648 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 525 | THR | 0 | 0.055 | 0.012 | 32.676 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 526 | GLN | 0 | -0.039 | -0.028 | 31.335 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 527 | ILE | 0 | 0.013 | 0.008 | 27.095 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 528 | GLU | -1 | -0.791 | -0.886 | 28.173 | -9.007 | -9.007 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 529 | LYS | 1 | 0.822 | 0.933 | 29.988 | 8.882 | 8.882 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 530 | PRO | 0 | 0.070 | 0.044 | 26.451 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 531 | THR | 0 | -0.002 | -0.005 | 26.905 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 532 | GLU | -1 | -0.832 | -0.935 | 28.772 | -9.557 | -9.557 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 533 | VAL | 0 | 0.032 | 0.007 | 32.222 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 534 | ASN | 0 | -0.014 | -0.022 | 27.899 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 535 | GLN | 0 | 0.032 | 0.016 | 30.637 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 536 | ILE | 0 | -0.011 | 0.008 | 33.402 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 537 | LEU | 0 | -0.002 | -0.004 | 34.148 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 538 | ILE | 0 | 0.037 | 0.017 | 31.041 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 539 | LYS | 1 | 0.844 | 0.918 | 34.600 | 8.720 | 8.720 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 540 | TRP | 0 | 0.012 | 0.027 | 38.228 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 541 | LEU | 0 | -0.031 | -0.004 | 36.311 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 542 | GLN | 0 | -0.027 | -0.004 | 35.763 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 543 | THR | 0 | -0.076 | -0.050 | 39.888 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 544 | GLU | -1 | -0.871 | -0.923 | 43.051 | -6.200 | -6.200 | 0.000 | 0.000 | 0.000 | 0.000 |