FMODB ID: 98J72
Calculation Name: 4B7O-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4B7O
Chain ID: A
UniProt ID: Q841A2
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 | 656 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15602655.517953 |
---|---|
FMO2-HF: Nuclear repulsion | 15350557.029436 |
FMO2-HF: Total energy | -252098.488517 |
FMO2-MP2: Total energy | -252850.088055 |
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:61:ASP)
Summations of interaction energy for
fragment #1(A:61:ASP)
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. |
-254.275 | -258.947 | 34.669 | -16.457 | -13.54 | 0.155 |
Interaction energy analysis for fragmet #1(A:61:ASP)
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 | 63 | GLN | 0 | 0.035 | -0.003 | 3.603 | -7.885 | -5.404 | -0.018 | -1.283 | -1.180 | 0.001 |
4 | A | 64 | GLY | 0 | 0.037 | 0.027 | 5.460 | -2.756 | -2.756 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 65 | SER | 0 | -0.017 | -0.025 | 4.894 | 6.300 | 6.332 | -0.001 | -0.004 | -0.027 | 0.000 |
6 | A | 66 | LYS | 1 | 0.737 | 0.874 | 6.826 | -25.434 | -25.434 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 67 | ILE | 0 | -0.032 | -0.030 | 3.885 | -4.925 | -4.494 | 0.003 | -0.126 | -0.308 | 0.000 |
8 | A | 68 | ARG | 1 | 0.909 | 0.963 | 2.276 | -51.508 | -47.857 | 3.822 | -4.074 | -3.400 | 0.031 |
9 | A | 69 | THR | 0 | -0.019 | -0.061 | 1.608 | -57.506 | -69.703 | 30.835 | -10.786 | -7.851 | 0.119 |
10 | A | 70 | ASN | 0 | -0.046 | -0.035 | 3.626 | -5.813 | -5.266 | 0.013 | -0.049 | -0.511 | 0.005 |
11 | A | 71 | ILE | 0 | -0.042 | -0.005 | 5.476 | -2.592 | -2.592 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 72 | VAL | 0 | 0.012 | 0.011 | 7.030 | -3.932 | -3.932 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 73 | THR | 0 | 0.017 | 0.007 | 10.436 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 74 | LEU | 0 | 0.013 | -0.002 | 12.017 | -1.457 | -1.457 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 75 | GLN | 0 | -0.046 | -0.044 | 15.097 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 76 | GLN | 0 | 0.086 | 0.051 | 10.016 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 77 | LYS | 1 | 0.796 | 0.901 | 15.293 | -18.681 | -18.681 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 78 | ASP | -1 | -0.783 | -0.860 | 16.989 | 14.077 | 14.077 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 79 | GLU | -1 | -0.774 | -0.822 | 18.017 | 15.728 | 15.728 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 80 | SER | 0 | -0.005 | -0.001 | 17.803 | -0.568 | -0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 81 | THR | 0 | 0.052 | 0.022 | 19.930 | -0.588 | -0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 82 | ALA | 0 | -0.032 | 0.005 | 19.176 | -0.548 | -0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 83 | THR | 0 | 0.021 | 0.003 | 21.302 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 84 | ASP | -1 | -0.812 | -0.906 | 21.295 | 14.175 | 14.175 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 85 | MET | 0 | 0.015 | -0.001 | 16.268 | 1.008 | 1.008 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 86 | ARG | 1 | 0.795 | 0.902 | 16.500 | -12.396 | -12.396 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 87 | GLU | -1 | -0.788 | -0.887 | 17.796 | 15.280 | 15.280 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 88 | LEU | 0 | -0.054 | -0.024 | 14.616 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 89 | LEU | 0 | 0.007 | 0.006 | 11.103 | 1.500 | 1.500 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 90 | LYS | 1 | 0.780 | 0.881 | 13.539 | -14.014 | -14.014 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 91 | GLU | -1 | -0.707 | -0.816 | 12.621 | 20.816 | 20.816 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 92 | GLU | -1 | -0.772 | -0.830 | 8.639 | 34.269 | 34.269 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 93 | PRO | 0 | -0.026 | -0.005 | 10.982 | -1.803 | -1.803 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 94 | SER | 0 | -0.047 | -0.057 | 11.117 | -1.320 | -1.320 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 95 | ILE | 0 | 0.021 | 0.011 | 11.472 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 96 | ASP | -1 | -0.824 | -0.868 | 14.864 | 14.554 | 14.554 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 97 | PHE | 0 | 0.050 | 0.020 | 15.956 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 98 | GLY | 0 | -0.019 | 0.001 | 20.978 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 99 | GLY | 0 | 0.037 | 0.015 | 24.651 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 100 | GLY | 0 | 0.006 | 0.005 | 27.344 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 101 | ASN | 0 | 0.010 | -0.015 | 27.391 | 0.974 | 0.974 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 102 | GLY | 0 | 0.074 | 0.027 | 26.334 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 103 | THR | 0 | -0.037 | -0.041 | 26.230 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 104 | SER | 0 | -0.029 | -0.024 | 27.844 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 105 | GLN | 0 | -0.112 | -0.038 | 22.498 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 106 | PHE | 0 | 0.019 | 0.012 | 24.046 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 107 | LEU | 0 | -0.005 | 0.000 | 16.240 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 108 | THR | 0 | -0.057 | -0.052 | 19.034 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 109 | LEU | 0 | 0.036 | 0.014 | 11.963 | 0.759 | 0.759 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 110 | ARG | 1 | 0.801 | 0.858 | 10.608 | -26.064 | -26.064 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 111 | GLY | 0 | 0.012 | 0.036 | 16.474 | -0.983 | -0.983 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 112 | MET | 0 | -0.024 | 0.001 | 18.813 | -1.266 | -1.266 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 113 | GLY | 0 | 0.055 | 0.019 | 19.392 | 0.806 | 0.806 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 114 | GLN | 0 | 0.008 | -0.002 | 20.675 | -0.477 | -0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 115 | ASN | 0 | -0.028 | -0.001 | 21.889 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 116 | SER | 0 | -0.047 | -0.052 | 20.770 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 117 | VAL | 0 | -0.035 | 0.006 | 15.624 | 0.626 | 0.626 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 118 | ASP | -1 | -0.783 | -0.882 | 16.863 | 16.314 | 16.314 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 119 | ILE | 0 | -0.013 | -0.014 | 16.384 | 1.326 | 1.326 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 120 | LYS | 1 | 0.860 | 0.949 | 14.949 | -21.098 | -21.098 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 121 | VAL | 0 | 0.018 | 0.014 | 15.252 | 1.472 | 1.472 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 122 | ASP | -1 | -0.822 | -0.886 | 16.158 | 17.633 | 17.633 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 123 | ASN | 0 | -0.039 | -0.016 | 16.505 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 124 | ALA | 0 | 0.042 | 0.042 | 17.651 | -0.880 | -0.880 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 125 | TYR | 0 | -0.029 | -0.055 | 18.952 | 0.877 | 0.877 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 126 | SER | 0 | -0.026 | -0.010 | 21.352 | -0.656 | -0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 127 | ASP | -1 | -0.765 | -0.848 | 23.574 | 13.041 | 13.041 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 128 | SER | 0 | 0.002 | 0.015 | 24.886 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 129 | GLN | 0 | -0.050 | -0.043 | 27.891 | 0.710 | 0.710 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 130 | ILE | 0 | 0.029 | 0.019 | 29.680 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 131 | LEU | 0 | 0.015 | -0.006 | 31.903 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 132 | TYR | 0 | 0.017 | 0.001 | 31.171 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 133 | HIS | 0 | -0.069 | -0.050 | 31.462 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 134 | GLN | 0 | -0.055 | -0.025 | 29.417 | -0.488 | -0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 135 | GLY | 0 | 0.058 | 0.046 | 25.880 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 136 | ARG | 1 | 0.742 | 0.841 | 23.467 | -13.209 | -13.209 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 137 | PHE | 0 | -0.017 | -0.010 | 23.784 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 138 | ILE | 0 | -0.024 | -0.012 | 19.118 | 0.762 | 0.762 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 139 | VAL | 0 | -0.032 | -0.007 | 18.569 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 140 | ASP | -1 | -0.690 | -0.828 | 20.145 | 14.495 | 14.495 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 141 | PRO | 0 | -0.018 | -0.012 | 17.791 | 0.482 | 0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 142 | ALA | 0 | -0.010 | -0.003 | 19.021 | 0.636 | 0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 143 | LEU | 0 | 0.001 | -0.001 | 20.960 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 144 | VAL | 0 | -0.030 | -0.005 | 15.628 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 145 | LYS | 1 | 0.791 | 0.869 | 14.256 | -20.065 | -20.065 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 146 | VAL | 0 | -0.001 | -0.003 | 9.042 | 0.795 | 0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 147 | VAL | 0 | -0.035 | -0.012 | 10.685 | -2.082 | -2.082 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 148 | SER | 0 | 0.010 | 0.009 | 6.353 | 5.918 | 5.918 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 149 | VAL | 0 | -0.028 | -0.011 | 6.659 | -6.419 | -6.419 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 150 | GLN | 0 | 0.019 | 0.026 | 6.959 | 6.610 | 6.610 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 151 | LYS | 1 | 0.836 | 0.919 | 7.955 | -38.386 | -38.386 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 152 | GLY | 0 | 0.021 | 0.017 | 11.033 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 153 | ALA | 0 | -0.031 | -0.019 | 13.716 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 154 | GLY | 0 | -0.003 | 0.000 | 12.429 | 1.484 | 1.484 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 155 | SER | 0 | -0.033 | -0.039 | 12.556 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 156 | ALA | 0 | 0.015 | -0.001 | 14.185 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 157 | SER | 0 | 0.006 | -0.031 | 13.806 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 158 | ALA | 0 | -0.067 | -0.022 | 13.219 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 159 | GLY | 0 | 0.013 | 0.012 | 14.734 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 160 | ILE | 0 | -0.013 | -0.013 | 18.324 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 161 | GLY | 0 | 0.036 | 0.018 | 20.146 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 162 | ALA | 0 | 0.028 | 0.054 | 15.541 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 163 | THR | 0 | 0.006 | -0.017 | 16.888 | 0.601 | 0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 164 | ASN | 0 | -0.067 | -0.038 | 16.374 | -0.826 | -0.826 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 165 | GLY | 0 | 0.071 | 0.038 | 13.207 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 166 | ALA | 0 | -0.031 | -0.023 | 12.481 | -2.054 | -2.054 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 167 | ILE | 0 | 0.029 | 0.018 | 11.604 | 2.899 | 2.899 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 168 | ILE | 0 | -0.028 | -0.007 | 9.750 | -2.354 | -2.354 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 169 | ALA | 0 | 0.041 | 0.012 | 11.000 | 2.119 | 2.119 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 170 | LYS | 1 | 0.957 | 0.971 | 11.212 | -25.698 | -25.698 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 171 | THR | 0 | 0.026 | -0.023 | 15.071 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 172 | VAL | 0 | -0.010 | -0.003 | 17.857 | 0.661 | 0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 173 | ASP | -1 | -0.757 | -0.856 | 19.082 | 16.088 | 16.088 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 174 | ALA | 0 | 0.052 | 0.021 | 20.916 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 175 | GLN | 0 | 0.046 | 0.017 | 18.863 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 176 | ASP | -1 | -0.831 | -0.911 | 16.704 | 19.660 | 19.660 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 177 | LEU | 0 | 0.007 | -0.002 | 19.261 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 178 | LEU | 0 | -0.030 | -0.010 | 22.322 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 179 | LYS | 1 | 0.814 | 0.911 | 16.568 | -18.507 | -18.507 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 180 | GLY | 0 | 0.019 | 0.027 | 21.286 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 181 | LEU | 0 | -0.053 | -0.030 | 24.076 | -0.583 | -0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 182 | ASP | -1 | -0.815 | -0.894 | 27.158 | 11.271 | 11.271 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 183 | LYS | 1 | 0.821 | 0.905 | 29.115 | -10.523 | -10.523 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 184 | ASN | 0 | 0.007 | -0.002 | 28.639 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 185 | TRP | 0 | 0.077 | 0.029 | 29.154 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 186 | GLY | 0 | 0.003 | -0.014 | 29.210 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 187 | VAL | 0 | 0.010 | 0.019 | 30.089 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 188 | ARG | 1 | 0.799 | 0.882 | 22.788 | -13.579 | -13.579 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 189 | LEU | 0 | 0.003 | 0.008 | 28.300 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 190 | ASN | 0 | 0.022 | 0.008 | 26.350 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 191 | SER | 0 | -0.032 | -0.026 | 28.416 | -0.498 | -0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 192 | GLY | 0 | 0.016 | 0.016 | 28.447 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 193 | PHE | 0 | -0.017 | -0.001 | 29.503 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 194 | ALA | 0 | 0.016 | 0.012 | 29.175 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 195 | SER | 0 | -0.022 | -0.016 | 30.981 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 196 | ASN | 0 | -0.049 | -0.024 | 31.377 | -0.444 | -0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 197 | GLU | -1 | -0.875 | -0.966 | 31.077 | 9.118 | 9.118 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 198 | GLY | 0 | 0.020 | 0.024 | 32.569 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 199 | VAL | 0 | -0.032 | 0.003 | 32.426 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 200 | SER | 0 | -0.027 | -0.016 | 28.452 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 201 | TYR | 0 | 0.011 | -0.002 | 30.290 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 202 | GLY | 0 | 0.029 | 0.024 | 28.423 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 203 | ALA | 0 | -0.038 | -0.006 | 29.485 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 204 | SER | 0 | -0.039 | -0.039 | 26.682 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 205 | VAL | 0 | 0.041 | 0.019 | 28.802 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 206 | PHE | 0 | -0.002 | -0.010 | 26.389 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 207 | GLY | 0 | 0.041 | 0.016 | 28.053 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 208 | LYS | 1 | 0.789 | 0.884 | 25.311 | -11.825 | -11.825 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 209 | GLU | -1 | -0.904 | -0.938 | 28.185 | 9.108 | 9.108 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 210 | GLY | 0 | 0.057 | 0.030 | 31.473 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 211 | ASN | 0 | 0.006 | -0.019 | 29.086 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 212 | PHE | 0 | 0.033 | 0.017 | 28.014 | 0.524 | 0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 213 | ASP | -1 | -0.819 | -0.880 | 24.546 | 13.403 | 13.403 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 214 | GLY | 0 | 0.013 | 0.020 | 27.457 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 215 | LEU | 0 | -0.033 | -0.018 | 23.058 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 216 | PHE | 0 | 0.041 | 0.031 | 27.205 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 217 | SER | 0 | -0.004 | -0.005 | 25.543 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 218 | TYR | 0 | 0.010 | 0.015 | 27.622 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 219 | ASN | 0 | -0.029 | -0.038 | 25.686 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 220 | ARG | 1 | 0.768 | 0.871 | 28.517 | -9.415 | -9.415 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 221 | ASN | 0 | -0.048 | -0.048 | 26.382 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 222 | ASP | -1 | -0.812 | -0.894 | 29.683 | 9.038 | 9.038 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 223 | GLU | -1 | -0.740 | -0.824 | 27.547 | 11.628 | 11.628 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 224 | LYS | 1 | 0.883 | 0.924 | 32.500 | -9.068 | -9.068 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 225 | GLU | -1 | -0.874 | -0.925 | 33.987 | 8.538 | 8.538 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 226 | TYR | 0 | 0.014 | 0.022 | 30.407 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 227 | GLU | -1 | -0.802 | -0.895 | 33.631 | 8.253 | 8.253 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 228 | ALA | 0 | 0.011 | 0.007 | 32.428 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 229 | GLY | 0 | 0.025 | 0.005 | 32.498 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 230 | LYS | 1 | 0.910 | 0.934 | 33.584 | -8.399 | -8.399 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 231 | GLY | 0 | -0.017 | -0.015 | 36.807 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 232 | PHE | 0 | -0.046 | -0.003 | 35.951 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 233 | ARG | 1 | 0.871 | 0.922 | 38.091 | -7.520 | -7.520 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 234 | ASN | 0 | 0.007 | 0.014 | 40.592 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 235 | PHE | 0 | 0.035 | 0.008 | 41.423 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 236 | ASN | 0 | 0.010 | 0.013 | 44.176 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 237 | GLY | 0 | 0.040 | 0.027 | 45.065 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 238 | GLY | 0 | 0.015 | 0.015 | 43.222 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 239 | LYS | 1 | 0.822 | 0.873 | 38.461 | -8.083 | -8.083 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 240 | THR | 0 | 0.018 | -0.005 | 37.194 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 241 | VAL | 0 | 0.005 | 0.005 | 33.152 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 242 | PRO | 0 | -0.001 | 0.006 | 36.178 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 243 | TYR | 0 | -0.024 | -0.024 | 36.790 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 244 | SER | 0 | -0.040 | -0.029 | 32.226 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 245 | ALA | 0 | 0.006 | 0.013 | 32.369 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 246 | LEU | 0 | -0.066 | -0.038 | 29.571 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 247 | ASP | -1 | -0.732 | -0.797 | 32.342 | 9.457 | 9.457 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 248 | LYS | 1 | 0.819 | 0.886 | 25.534 | -12.269 | -12.269 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 249 | ARG | 1 | 0.830 | 0.875 | 30.279 | -9.256 | -9.256 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 250 | SER | 0 | -0.041 | -0.035 | 25.689 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 251 | TYR | 0 | -0.040 | -0.048 | 27.762 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 252 | LEU | 0 | -0.028 | -0.014 | 22.365 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 253 | ALA | 0 | 0.020 | 0.017 | 26.466 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 254 | LYS | 1 | 0.810 | 0.886 | 19.662 | -15.951 | -15.951 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 255 | ILE | 0 | 0.002 | 0.005 | 26.140 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 256 | GLY | 0 | 0.027 | 0.010 | 25.090 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 257 | THR | 0 | -0.039 | -0.015 | 26.095 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 258 | THR | 0 | 0.019 | 0.007 | 23.930 | 0.647 | 0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 259 | PHE | 0 | 0.019 | 0.001 | 26.489 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 260 | GLY | 0 | 0.037 | 0.016 | 27.311 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 261 | ASP | -1 | -0.877 | -0.948 | 27.925 | 10.349 | 10.349 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 262 | GLY | 0 | -0.039 | -0.012 | 25.092 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 263 | ASP | -1 | -0.840 | -0.905 | 23.327 | 13.279 | 13.279 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 264 | HIS | 0 | 0.027 | 0.025 | 23.303 | 0.586 | 0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 265 | ARG | 1 | 0.805 | 0.877 | 20.524 | -14.741 | -14.741 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 266 | ILE | 0 | -0.012 | 0.002 | 23.395 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 267 | VAL | 0 | -0.005 | -0.013 | 21.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 268 | LEU | 0 | 0.004 | 0.011 | 24.288 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 269 | SER | 0 | -0.036 | -0.027 | 23.720 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 270 | HIS | 0 | -0.018 | -0.021 | 25.898 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 271 | MET | 0 | 0.009 | 0.012 | 22.661 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 272 | GLU | -1 | -0.782 | -0.819 | 26.390 | 10.142 | 10.142 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 273 | ASP | -1 | -0.786 | -0.904 | 24.370 | 13.368 | 13.368 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 274 | GLN | 0 | 0.009 | 0.006 | 27.321 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 275 | HIS | 0 | -0.007 | 0.000 | 25.907 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 276 | ARG | 1 | 0.813 | 0.904 | 31.186 | -9.439 | -9.439 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 277 | GLY | 0 | 0.064 | 0.031 | 34.904 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 278 | ILE | 0 | -0.007 | 0.006 | 37.263 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 279 | ARG | 1 | 0.819 | 0.882 | 30.879 | -9.893 | -9.893 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 280 | THR | 0 | 0.045 | 0.030 | 36.294 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 281 | VAL | 0 | -0.001 | 0.007 | 37.739 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 282 | ARG | 1 | 0.881 | 0.937 | 35.809 | -8.034 | -8.034 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 283 | GLU | -1 | -0.719 | -0.802 | 31.692 | 10.148 | 10.148 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 284 | GLU | -1 | -0.724 | -0.821 | 30.894 | 10.353 | 10.353 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 285 | PHE | 0 | -0.062 | -0.047 | 31.893 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 286 | THR | 0 | 0.010 | 0.012 | 35.223 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 287 | VAL | 0 | 0.014 | 0.018 | 37.714 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 302 | PRO | 0 | 0.041 | 0.003 | 41.872 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 303 | TYR | 0 | -0.049 | -0.042 | 38.976 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 304 | ARG | 1 | 0.817 | 0.897 | 35.393 | -9.027 | -9.027 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 305 | GLU | -1 | -0.780 | -0.858 | 35.361 | 8.913 | 8.913 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 306 | THR | 0 | 0.015 | 0.005 | 30.224 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 307 | THR | 0 | -0.019 | -0.025 | 30.292 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 308 | GLN | 0 | -0.030 | -0.008 | 22.815 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 309 | SER | 0 | -0.004 | -0.043 | 27.017 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 310 | ASN | 0 | -0.021 | -0.026 | 22.183 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 311 | THR | 0 | 0.038 | 0.038 | 26.106 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 312 | ASN | 0 | 0.022 | 0.007 | 20.822 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 313 | LEU | 0 | 0.028 | 0.030 | 24.937 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 314 | ALA | 0 | -0.017 | -0.025 | 20.563 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 315 | TYR | 0 | -0.013 | -0.031 | 22.048 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 316 | THR | 0 | -0.056 | -0.032 | 17.854 | 1.322 | 1.322 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 317 | GLY | 0 | 0.036 | 0.031 | 20.706 | -0.483 | -0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 318 | LYS | 1 | 0.742 | 0.866 | 19.827 | -12.637 | -12.637 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 319 | ASP | -1 | -0.809 | -0.897 | 21.934 | 12.830 | 12.830 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 320 | LEU | 0 | -0.019 | 0.013 | 24.322 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 321 | GLY | 0 | -0.001 | -0.015 | 26.391 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 322 | PHE | 0 | -0.008 | 0.001 | 26.494 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 323 | VAL | 0 | -0.058 | -0.001 | 22.451 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 324 | GLU | -1 | -0.774 | -0.870 | 17.813 | 16.224 | 16.224 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 325 | LYS | 1 | 0.899 | 0.934 | 14.527 | -19.559 | -19.559 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 326 | LEU | 0 | -0.022 | 0.007 | 19.622 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 327 | ASP | -1 | -0.879 | -0.930 | 16.094 | 19.747 | 19.747 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 328 | ALA | 0 | 0.035 | 0.011 | 19.207 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 329 | ASN | 0 | -0.026 | -0.013 | 20.492 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 330 | ALA | 0 | 0.000 | 0.003 | 22.499 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 331 | TYR | 0 | 0.016 | 0.012 | 22.867 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 332 | VAL | 0 | -0.030 | -0.024 | 26.348 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 333 | LEU | 0 | -0.012 | 0.006 | 23.270 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 334 | GLU | -1 | -0.765 | -0.839 | 27.316 | 9.525 | 9.525 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 335 | LYS | 1 | 0.905 | 0.960 | 25.747 | -12.152 | -12.152 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 336 | LYS | 1 | 0.882 | 0.918 | 29.978 | -10.430 | -10.430 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 337 | ARG | 1 | 0.804 | 0.875 | 32.750 | -8.411 | -8.411 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 338 | TYR | 0 | 0.044 | 0.031 | 35.411 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 339 | SER | 0 | -0.033 | -0.039 | 38.339 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 340 | ALA | 0 | 0.018 | 0.002 | 41.000 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 341 | ASP | -1 | -0.761 | -0.888 | 44.037 | 6.653 | 6.653 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 342 | ASP | -1 | -0.742 | -0.821 | 41.696 | 8.364 | 8.364 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 343 | LYS | 1 | 0.882 | 0.955 | 44.751 | -6.642 | -6.642 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 344 | ASP | -1 | -0.815 | -0.890 | 46.001 | 6.775 | 6.775 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 345 | ASN | 0 | -0.090 | -0.056 | 39.720 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 346 | GLY | 0 | 0.073 | 0.030 | 43.968 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 347 | TYR | 0 | -0.094 | -0.042 | 39.138 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 348 | ALA | 0 | 0.011 | -0.006 | 40.873 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 349 | GLY | 0 | 0.019 | 0.027 | 41.974 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 350 | ASN | 0 | -0.063 | -0.040 | 45.562 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 351 | VAL | 0 | 0.012 | 0.011 | 45.277 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 352 | VAL | 0 | 0.019 | 0.003 | 47.085 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 353 | GLY | 0 | 0.002 | 0.014 | 48.530 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 354 | PRO | 0 | -0.018 | -0.019 | 45.156 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 355 | ASN | 0 | 0.000 | 0.005 | 42.208 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 356 | HIS | 0 | -0.005 | -0.008 | 39.953 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 357 | THR | 0 | -0.056 | -0.043 | 35.812 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 358 | ARG | 1 | 0.834 | 0.885 | 34.278 | -8.912 | -8.912 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 359 | ILE | 0 | -0.031 | -0.012 | 30.113 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 360 | THR | 0 | -0.023 | -0.007 | 30.753 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 361 | THR | 0 | -0.023 | -0.020 | 25.922 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 362 | ARG | 1 | 0.988 | 0.999 | 28.040 | -9.540 | -9.540 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 363 | GLY | 0 | 0.014 | -0.005 | 25.468 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 364 | MET | 0 | -0.043 | -0.003 | 24.713 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 365 | ASN | 0 | -0.049 | -0.022 | 20.497 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 366 | PHE | 0 | 0.031 | 0.011 | 22.275 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 367 | ASN | 0 | -0.023 | 0.004 | 17.340 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 368 | PHE | 0 | 0.033 | 0.007 | 19.581 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 369 | ASP | -1 | -0.773 | -0.866 | 15.427 | 19.535 | 19.535 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 370 | SER | 0 | 0.032 | -0.015 | 19.088 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 371 | ARG | 1 | 0.818 | 0.912 | 16.733 | -15.553 | -15.553 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 372 | LEU | 0 | -0.053 | -0.022 | 21.023 | -0.602 | -0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 373 | ALA | 0 | 0.017 | 0.001 | 21.818 | -0.618 | -0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 374 | GLU | -1 | -0.925 | -0.955 | 19.797 | 13.738 | 13.738 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 375 | GLN | 0 | -0.004 | -0.005 | 16.095 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 376 | THR | 0 | -0.081 | -0.050 | 16.848 | 0.449 | 0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 377 | LEU | 0 | 0.025 | 0.009 | 14.558 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 378 | LEU | 0 | -0.009 | -0.003 | 17.489 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 379 | LYS | 1 | 0.850 | 0.908 | 13.142 | -20.721 | -20.721 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 380 | TYR | 0 | -0.024 | -0.043 | 18.391 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 381 | GLY | 0 | 0.054 | 0.029 | 20.800 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 382 | ILE | 0 | -0.046 | -0.013 | 22.066 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 383 | ASN | 0 | 0.014 | -0.002 | 19.490 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 384 | TYR | 0 | 0.035 | 0.011 | 23.507 | -0.612 | -0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 385 | ARG | 1 | 0.811 | 0.882 | 23.280 | -13.047 | -13.047 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 386 | HIS | 0 | -0.031 | -0.025 | 26.952 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 387 | GLN | 0 | -0.006 | 0.003 | 27.279 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 388 | GLU | -1 | -0.776 | -0.893 | 30.807 | 8.557 | 8.557 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 389 | ILE | 0 | -0.045 | -0.010 | 33.155 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 390 | LYS | 1 | 0.820 | 0.898 | 35.612 | -9.289 | -9.289 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 391 | PRO | 0 | 0.025 | 0.018 | 38.470 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 392 | GLN | 0 | 0.004 | 0.001 | 40.577 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 393 | ALA | 0 | 0.024 | 0.014 | 43.480 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 394 | PHE | 0 | -0.048 | -0.033 | 41.785 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 395 | LEU | 0 | 0.018 | 0.005 | 46.128 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 396 | ASN | 0 | -0.057 | -0.034 | 47.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 397 | GLY | 0 | 0.012 | 0.000 | 49.266 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 398 | GLU | -1 | -0.823 | -0.905 | 50.614 | 6.416 | 6.416 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 399 | PHE | 0 | -0.064 | -0.032 | 48.424 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 400 | GLU | -1 | -0.920 | -0.962 | 51.328 | 5.829 | 5.829 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 401 | ILE | 0 | -0.071 | -0.031 | 51.606 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 402 | SER | 0 | -0.040 | -0.018 | 53.127 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 418 | THR | 0 | -0.058 | -0.048 | 58.427 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 419 | ASP | -1 | -0.809 | -0.889 | 58.505 | 5.651 | 5.651 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 420 | GLU | -1 | -0.905 | -0.955 | 60.713 | 5.259 | 5.259 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 421 | GLU | -1 | -0.858 | -0.923 | 60.040 | 5.378 | 5.378 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 422 | LYS | 1 | 0.864 | 0.910 | 59.657 | -5.303 | -5.303 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 423 | ALA | 0 | -0.049 | -0.023 | 60.637 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 424 | LYS | 1 | 0.805 | 0.876 | 53.985 | -6.027 | -6.027 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 425 | ASP | -1 | -0.795 | -0.896 | 55.387 | 6.029 | 6.029 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 426 | LYS | 1 | 0.916 | 0.963 | 56.447 | -5.267 | -5.267 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 427 | LYS | 1 | 0.820 | 0.916 | 57.524 | -5.649 | -5.649 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 428 | ASP | -1 | -0.735 | -0.862 | 52.877 | 6.211 | 6.211 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 429 | MET | 0 | 0.006 | 0.013 | 53.719 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 430 | ASP | -1 | -0.797 | -0.888 | 55.015 | 5.599 | 5.599 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 431 | LEU | 0 | -0.040 | 0.001 | 51.633 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 432 | VAL | 0 | -0.020 | -0.017 | 49.036 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 433 | HIS | 0 | -0.007 | 0.001 | 51.233 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 434 | SER | 0 | -0.044 | -0.038 | 53.908 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 435 | TYR | 0 | -0.012 | -0.001 | 47.808 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 436 | LYS | 1 | 0.862 | 0.928 | 50.044 | -6.149 | -6.149 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 437 | LEU | 0 | -0.020 | 0.009 | 44.555 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 438 | SER | 0 | 0.025 | 0.014 | 43.978 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 439 | ASN | 0 | 0.006 | -0.017 | 38.989 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 440 | PRO | 0 | -0.037 | 0.007 | 36.943 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 441 | THR | 0 | 0.003 | -0.011 | 34.779 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 442 | LYS | 1 | 0.751 | 0.849 | 27.216 | -11.985 | -11.985 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 443 | THR | 0 | -0.042 | 0.000 | 30.978 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 444 | ASP | -1 | -0.722 | -0.827 | 26.460 | 11.972 | 11.972 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 445 | THR | 0 | -0.042 | -0.046 | 27.323 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 446 | GLY | 0 | 0.021 | 0.011 | 24.753 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 447 | ALA | 0 | -0.011 | 0.011 | 24.396 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 448 | TYR | 0 | -0.061 | -0.041 | 17.801 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 449 | ILE | 0 | 0.052 | 0.029 | 21.151 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 450 | GLU | -1 | -0.782 | -0.869 | 14.215 | 21.711 | 21.711 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 451 | ALA | 0 | 0.030 | 0.036 | 17.658 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 452 | ILE | 0 | -0.014 | -0.015 | 11.688 | 0.764 | 0.764 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 453 | HIS | 0 | 0.039 | 0.019 | 15.381 | -0.700 | -0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 454 | GLU | -1 | -0.883 | -0.943 | 12.378 | 19.624 | 19.624 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 455 | LEU | 0 | 0.022 | 0.020 | 15.464 | -0.835 | -0.835 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 456 | ASP | -1 | -0.865 | -0.919 | 17.068 | 14.225 | 14.225 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 457 | GLY | 0 | 0.044 | 0.030 | 13.160 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 458 | PHE | 0 | -0.080 | -0.049 | 12.889 | 1.476 | 1.476 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 459 | THR | 0 | 0.009 | 0.007 | 10.343 | 0.582 | 0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 460 | LEU | 0 | 0.003 | 0.008 | 12.896 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 461 | THR | 0 | -0.004 | -0.019 | 12.445 | 1.082 | 1.082 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 462 | GLY | 0 | 0.009 | -0.004 | 14.627 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 463 | GLY | 0 | 0.035 | 0.027 | 17.596 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 464 | LEU | 0 | -0.072 | -0.032 | 19.225 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 465 | ARG | 1 | 0.804 | 0.884 | 18.893 | -15.482 | -15.482 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 466 | TYR | 0 | 0.025 | 0.013 | 22.675 | -0.528 | -0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 467 | ASP | -1 | -0.790 | -0.864 | 22.805 | 14.462 | 14.462 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 468 | ARG | 1 | 0.945 | 0.956 | 26.067 | -10.009 | -10.009 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 469 | PHE | 0 | 0.026 | 0.011 | 28.757 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 470 | LYS | 1 | 0.903 | 0.969 | 30.909 | -9.525 | -9.525 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 471 | VAL | 0 | 0.020 | 0.018 | 32.971 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 472 | LYS | 1 | 0.834 | 0.936 | 35.263 | -8.280 | -8.280 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 473 | THR | 0 | 0.020 | -0.010 | 37.738 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 474 | HIS | 0 | -0.009 | -0.013 | 39.408 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 475 | ASP | -1 | -0.701 | -0.810 | 41.690 | 7.562 | 7.562 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 476 | GLY | 0 | -0.025 | -0.004 | 43.108 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 477 | LYS | 1 | 0.811 | 0.902 | 42.252 | -7.663 | -7.663 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 478 | THR | 0 | -0.015 | -0.018 | 39.003 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 479 | VAL | 0 | -0.025 | -0.002 | 36.294 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 480 | SER | 0 | -0.028 | -0.046 | 34.709 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 481 | SER | 0 | -0.039 | -0.018 | 32.303 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 482 | SER | 0 | -0.019 | -0.009 | 29.874 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 483 | ASN | 0 | -0.061 | -0.026 | 26.541 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 484 | LEU | 0 | 0.087 | 0.059 | 26.152 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 485 | ASN | 0 | -0.083 | -0.057 | 21.178 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 486 | PRO | 0 | 0.046 | 0.033 | 21.150 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 487 | SER | 0 | -0.031 | -0.030 | 15.872 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 488 | PHE | 0 | 0.023 | 0.013 | 15.864 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 489 | GLY | 0 | 0.018 | -0.001 | 12.713 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 490 | VAL | 0 | -0.014 | 0.012 | 12.625 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 491 | ILE | 0 | -0.035 | -0.027 | 6.605 | 1.576 | 1.576 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 492 | TRP | 0 | 0.005 | 0.014 | 10.511 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 493 | GLN | 0 | 0.023 | 0.011 | 8.030 | 2.701 | 2.701 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 494 | PRO | 0 | -0.005 | 0.008 | 11.964 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 495 | HIS | 0 | 0.051 | 0.018 | 13.793 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 496 | GLU | -1 | -0.855 | -0.921 | 12.128 | 18.750 | 18.750 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 497 | HIS | 0 | -0.045 | -0.019 | 10.903 | 1.528 | 1.528 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 498 | TRP | 0 | -0.031 | -0.021 | 10.493 | 1.575 | 1.575 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 499 | SER | 0 | -0.006 | 0.001 | 6.828 | 1.157 | 1.157 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 500 | PHE | 0 | -0.010 | -0.005 | 9.032 | 1.415 | 1.415 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 501 | SER | 0 | -0.013 | -0.003 | 8.235 | 1.208 | 1.208 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 502 | SER | 0 | -0.033 | -0.018 | 10.268 | -1.411 | -1.411 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 503 | SER | 0 | 0.022 | 0.013 | 11.442 | 0.736 | 0.736 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 504 | HIS | 0 | -0.012 | -0.009 | 13.361 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 505 | ASN | 0 | 0.042 | 0.015 | 12.639 | -0.975 | -0.975 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 506 | TYR | 0 | -0.048 | -0.035 | 17.022 | -0.567 | -0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 507 | ALA | 0 | 0.038 | 0.029 | 18.237 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 508 | SER | 0 | 0.036 | 0.006 | 20.372 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 509 | ARG | 1 | 0.737 | 0.856 | 20.092 | -15.263 | -15.263 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 510 | SER | 0 | 0.020 | -0.005 | 24.167 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 511 | PRO | 0 | 0.049 | 0.028 | 27.536 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 512 | ARG | 1 | 0.746 | 0.847 | 25.619 | -12.534 | -12.534 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 513 | LEU | 0 | -0.009 | 0.004 | 29.792 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 514 | TYR | 0 | 0.005 | -0.008 | 32.045 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 515 | ASP | -1 | -0.744 | -0.856 | 33.445 | 9.862 | 9.862 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 516 | ALA | 0 | 0.017 | 0.010 | 33.789 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 517 | LEU | 0 | -0.040 | -0.019 | 35.567 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 518 | GLN | 0 | -0.041 | -0.044 | 36.995 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 519 | THR | 0 | -0.029 | -0.024 | 37.437 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 520 | HIS | 0 | 0.023 | 0.026 | 39.991 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 521 | GLY | 0 | 0.072 | 0.022 | 43.215 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 522 | LYS | 1 | 0.802 | 0.910 | 44.904 | -6.742 | -6.742 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 523 | ARG | 1 | 0.864 | 0.928 | 41.218 | -7.825 | -7.825 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 524 | GLY | 0 | 0.029 | 0.028 | 45.615 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 525 | ILE | 0 | -0.053 | -0.020 | 44.795 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 526 | ILE | 0 | -0.063 | -0.042 | 38.534 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 527 | SER | 0 | 0.013 | -0.035 | 40.809 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 528 | ILE | 0 | -0.029 | -0.023 | 34.906 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 529 | ALA | 0 | 0.034 | 0.036 | 38.703 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 530 | ASP | -1 | -0.774 | -0.877 | 39.180 | 7.590 | 7.590 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 531 | GLY | 0 | 0.021 | 0.022 | 38.204 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 532 | THR | 0 | -0.029 | -0.001 | 34.708 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 533 | LYS | 1 | 0.883 | 0.931 | 30.966 | -9.058 | -9.058 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 534 | ALA | 0 | 0.029 | 0.015 | 26.833 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 535 | GLU | -1 | -0.769 | -0.845 | 25.233 | 12.209 | 12.209 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 536 | ARG | 1 | 0.836 | 0.890 | 24.317 | -12.070 | -12.070 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 537 | ALA | 0 | -0.008 | 0.007 | 20.005 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 538 | ARG | 1 | 0.949 | 0.976 | 20.394 | -13.314 | -13.314 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 539 | ASN | 0 | -0.033 | -0.027 | 13.753 | -0.514 | -0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 540 | THR | 0 | -0.039 | -0.007 | 15.881 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 541 | GLU | -1 | -0.730 | -0.847 | 11.054 | 24.910 | 24.910 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 542 | ILE | 0 | 0.033 | 0.019 | 12.442 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 543 | GLY | 0 | 0.017 | -0.007 | 9.573 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 544 | PHE | 0 | -0.014 | 0.015 | 9.117 | -0.620 | -0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 545 | ASN | 0 | 0.002 | -0.023 | 3.514 | -0.555 | -0.172 | 0.015 | -0.135 | -0.263 | -0.001 |
457 | A | 546 | TYR | 0 | -0.037 | -0.040 | 6.707 | -1.665 | -1.665 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 547 | ASN | 0 | 0.008 | -0.021 | 7.578 | 2.185 | 2.185 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 548 | ASP | -1 | -0.702 | -0.803 | 9.594 | 18.478 | 18.478 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 549 | GLY | 0 | -0.022 | 0.004 | 11.514 | -0.923 | -0.923 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 550 | THR | 0 | -0.053 | -0.015 | 12.633 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 551 | PHE | 0 | -0.066 | -0.054 | 13.631 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 552 | ALA | 0 | 0.044 | 0.029 | 8.051 | 0.741 | 0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 553 | ALA | 0 | -0.038 | -0.027 | 8.642 | -0.953 | -0.953 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 554 | ASN | 0 | -0.005 | 0.007 | 5.564 | 4.823 | 4.823 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 555 | GLY | 0 | 0.022 | 0.007 | 7.601 | -2.244 | -2.244 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 556 | SER | 0 | 0.016 | 0.012 | 9.311 | 2.280 | 2.280 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 557 | TYR | 0 | -0.024 | -0.024 | 11.372 | -1.148 | -1.148 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 558 | PHE | 0 | -0.015 | -0.004 | 13.768 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 559 | TRP | 0 | 0.021 | 0.001 | 15.617 | -0.850 | -0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 560 | GLN | 0 | 0.005 | 0.008 | 17.128 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 561 | THR | 0 | -0.092 | -0.051 | 19.906 | -1.011 | -1.011 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 562 | ILE | 0 | 0.006 | 0.013 | 21.184 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 563 | LYS | 1 | 0.977 | 0.989 | 24.442 | -11.256 | -11.256 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 564 | ASP | -1 | -0.870 | -0.946 | 27.503 | 10.728 | 10.728 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 565 | ALA | 0 | -0.009 | 0.007 | 28.230 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 566 | LEU | 0 | -0.008 | 0.002 | 29.239 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 567 | ALA | 0 | -0.021 | -0.021 | 30.233 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 568 | ASN | 0 | -0.089 | -0.029 | 32.727 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 569 | PRO | 0 | -0.005 | 0.002 | 36.448 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 570 | GLN | 0 | -0.008 | -0.008 | 38.865 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 571 | ASN | 0 | -0.010 | -0.033 | 41.835 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 572 | ARG | 1 | 0.739 | 0.823 | 43.913 | -7.411 | -7.411 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 573 | HIS | 0 | 0.052 | 0.046 | 46.564 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 574 | VAL | 0 | -0.015 | -0.014 | 49.750 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 575 | SER | 0 | 0.031 | 0.031 | 48.970 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 576 | ALA | 0 | -0.011 | 0.000 | 49.262 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 577 | ALA | 0 | 0.052 | 0.008 | 46.419 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 578 | VAL | 0 | 0.010 | 0.019 | 46.346 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 579 | ARG | 1 | 0.904 | 0.958 | 40.341 | -7.980 | -7.980 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 580 | GLU | -1 | -0.748 | -0.842 | 40.766 | 7.702 | 7.702 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 581 | ALA | 0 | 0.002 | -0.012 | 35.174 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 582 | VAL | 0 | 0.027 | 0.003 | 36.122 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 583 | ASN | 0 | -0.039 | -0.029 | 31.333 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 584 | ALA | 0 | 0.003 | -0.001 | 33.370 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 585 | GLY | 0 | 0.061 | 0.024 | 32.802 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 586 | TYR | 0 | -0.075 | -0.024 | 28.159 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 587 | ILE | 0 | 0.018 | 0.012 | 23.905 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 588 | LYS | 1 | 0.871 | 0.926 | 23.853 | -11.623 | -11.623 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 589 | ASN | 0 | 0.037 | -0.003 | 19.689 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 590 | HIS | 0 | -0.003 | 0.022 | 19.201 | 0.668 | 0.668 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 591 | GLY | 0 | 0.019 | 0.010 | 18.479 | -0.571 | -0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 592 | TYR | 0 | 0.020 | 0.013 | 15.089 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 593 | GLU | -1 | -0.776 | -0.874 | 10.341 | 26.541 | 26.541 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 594 | LEU | 0 | -0.005 | -0.001 | 11.226 | 0.621 | 0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 595 | GLY | 0 | 0.002 | 0.002 | 10.430 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 596 | ALA | 0 | -0.018 | -0.001 | 9.850 | 1.446 | 1.446 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 597 | SER | 0 | -0.051 | -0.024 | 10.300 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 598 | TYR | 0 | 0.050 | 0.022 | 12.488 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 599 | ARG | 1 | 0.904 | 0.938 | 12.844 | -20.368 | -20.368 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 600 | THR | 0 | 0.049 | 0.025 | 16.391 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 601 | GLY | 0 | 0.049 | 0.028 | 19.586 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 602 | GLY | 0 | 0.047 | 0.038 | 20.434 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 603 | LEU | 0 | -0.022 | -0.005 | 20.316 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 604 | THR | 0 | -0.007 | -0.006 | 14.450 | 1.279 | 1.279 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 605 | ALA | 0 | 0.004 | 0.012 | 16.242 | -0.636 | -0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 606 | LYS | 1 | 0.869 | 0.911 | 11.134 | -21.444 | -21.444 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 607 | VAL | 0 | 0.002 | 0.002 | 13.562 | -1.476 | -1.476 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 608 | GLY | 0 | 0.049 | 0.021 | 12.869 | 2.089 | 2.089 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 609 | VAL | 0 | -0.052 | -0.017 | 13.636 | -1.712 | -1.712 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 610 | SER | 0 | -0.010 | -0.008 | 13.999 | 1.475 | 1.475 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 611 | HIS | 0 | 0.010 | -0.003 | 15.889 | -0.907 | -0.907 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 612 | SER | 0 | -0.007 | -0.013 | 18.251 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 613 | LYS | 1 | 0.962 | 0.998 | 20.188 | -12.336 | -12.336 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 614 | PRO | 0 | 0.012 | 0.027 | 21.702 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 615 | ARG | 1 | 0.779 | 0.867 | 23.739 | -12.265 | -12.265 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 616 | PHE | 0 | 0.047 | 0.021 | 25.190 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 617 | TYR | 0 | 0.004 | -0.007 | 27.821 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 618 | ASP | -1 | -0.750 | -0.886 | 32.131 | 9.194 | 9.194 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 619 | THR | 0 | -0.036 | -0.030 | 34.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 620 | HIS | 0 | 0.052 | 0.023 | 36.815 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 621 | PRO | 0 | 0.027 | 0.004 | 39.438 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 622 | LYS | 1 | 0.902 | 0.948 | 41.692 | -7.202 | -7.202 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 623 | LYS | 1 | 0.782 | 0.889 | 37.416 | -8.552 | -8.552 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 624 | LEU | 0 | 0.063 | 0.049 | 36.864 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 625 | LEU | 0 | -0.007 | 0.006 | 30.721 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 626 | SER | 0 | 0.015 | 0.003 | 31.601 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 627 | ALA | 0 | 0.003 | -0.002 | 30.579 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 628 | ASN | 0 | 0.019 | 0.024 | 30.227 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 629 | PRO | 0 | 0.011 | 0.016 | 26.424 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 630 | GLU | -1 | -0.793 | -0.864 | 25.088 | 12.246 | 12.246 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 631 | PHE | 0 | 0.025 | -0.001 | 24.629 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 632 | GLY | 0 | 0.021 | 0.012 | 23.063 | 0.636 | 0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 633 | ALA | 0 | -0.011 | -0.014 | 23.280 | -0.679 | -0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 634 | GLN | 0 | -0.054 | -0.014 | 23.278 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 635 | VAL | 0 | 0.028 | 0.009 | 20.240 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 636 | GLY | 0 | -0.002 | 0.003 | 23.122 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 637 | ARG | 1 | 0.841 | 0.922 | 19.946 | -13.174 | -13.174 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 638 | ALA | 0 | 0.038 | 0.028 | 17.498 | -0.670 | -0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 639 | TRP | 0 | -0.015 | -0.030 | 17.615 | 0.800 | 0.800 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 640 | THR | 0 | -0.046 | -0.036 | 13.485 | -0.813 | -0.813 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 641 | ALA | 0 | 0.014 | 0.006 | 16.038 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 642 | SER | 0 | -0.031 | -0.033 | 15.045 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 643 | LEU | 0 | -0.017 | 0.002 | 17.362 | 0.545 | 0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 644 | ALA | 0 | 0.019 | 0.009 | 18.628 | -0.608 | -0.608 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 645 | TYR | 0 | -0.039 | -0.021 | 20.399 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 646 | ARG | 1 | 0.764 | 0.857 | 19.636 | -15.327 | -15.327 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 647 | PHE | 0 | 0.009 | -0.003 | 22.934 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 648 | GLN | 0 | 0.026 | 0.011 | 25.470 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 649 | ASN | 0 | -0.032 | -0.018 | 27.437 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 650 | PRO | 0 | 0.053 | 0.025 | 30.060 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 651 | ASN | 0 | -0.004 | 0.007 | 23.622 | 0.536 | 0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 652 | LEU | 0 | 0.000 | 0.000 | 25.868 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 653 | GLU | -1 | -0.880 | -0.922 | 18.404 | 16.943 | 16.943 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 654 | ILE | 0 | 0.009 | -0.002 | 23.184 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 655 | GLY | 0 | 0.046 | 0.013 | 21.514 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 656 | TRP | 0 | -0.039 | -0.018 | 20.317 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 657 | ARG | 1 | 0.855 | 0.913 | 15.752 | -17.023 | -17.023 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 658 | GLY | 0 | 0.010 | 0.019 | 19.158 | -0.953 | -0.953 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 659 | ARG | 1 | 0.783 | 0.860 | 15.896 | -16.897 | -16.897 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 660 | TYR | 0 | 0.015 | 0.026 | 20.055 | -0.897 | -0.897 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 661 | VAL | 0 | 0.000 | 0.015 | 20.765 | 0.754 | 0.754 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 662 | GLN | 0 | 0.058 | 0.043 | 23.036 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 663 | LYS | 1 | 0.974 | 0.976 | 25.645 | -9.382 | -9.382 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 664 | ALA | 0 | 0.010 | 0.015 | 26.359 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 665 | VAL | 0 | -0.044 | -0.029 | 28.088 | -0.411 | -0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 666 | GLY | 0 | 0.026 | 0.016 | 29.853 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 667 | SER | 0 | -0.029 | -0.039 | 30.219 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 668 | ILE | 0 | 0.007 | 0.012 | 25.873 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 669 | LEU | 0 | -0.005 | -0.006 | 28.699 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 670 | VAL | 0 | -0.018 | -0.016 | 30.601 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 671 | ALA | 0 | -0.024 | -0.002 | 33.046 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 672 | GLY | 0 | 0.022 | 0.020 | 35.486 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 673 | GLN | 0 | -0.007 | -0.001 | 32.562 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 674 | LYS | 1 | 0.877 | 0.923 | 36.397 | -7.815 | -7.815 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 675 | ASP | -1 | -0.758 | -0.861 | 39.087 | 7.650 | 7.650 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 676 | ARG | 1 | 0.970 | 0.975 | 41.088 | -7.000 | -7.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 677 | ASN | 0 | -0.069 | -0.037 | 44.046 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 678 | GLY | 0 | 0.077 | 0.043 | 45.201 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 679 | LYS | 1 | 0.906 | 0.965 | 43.427 | -7.068 | -7.068 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 680 | LEU | 0 | 0.013 | 0.001 | 39.240 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 681 | GLU | -1 | -0.824 | -0.884 | 36.739 | 8.852 | 8.852 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 682 | ASN | 0 | -0.008 | -0.003 | 36.994 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 683 | VAL | 0 | -0.029 | -0.009 | 31.297 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 684 | VAL | 0 | -0.027 | -0.019 | 32.488 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 685 | ARG | 1 | 0.879 | 0.961 | 27.155 | -11.748 | -11.748 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 686 | LYS | 1 | 0.990 | 0.981 | 30.059 | -9.212 | -9.212 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 687 | GLY | 0 | 0.037 | 0.029 | 27.237 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 688 | PHE | 0 | -0.042 | -0.027 | 23.345 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 689 | GLY | 0 | 0.064 | 0.015 | 24.868 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 690 | VAL | 0 | -0.036 | 0.000 | 22.927 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 691 | ASN | 0 | 0.020 | -0.004 | 23.168 | 0.754 | 0.754 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 692 | ASP | -1 | -0.801 | -0.884 | 21.324 | 13.777 | 13.777 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 693 | VAL | 0 | -0.006 | -0.002 | 23.577 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 694 | PHE | 0 | -0.020 | -0.028 | 18.465 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 695 | ALA | 0 | 0.028 | 0.014 | 23.738 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 696 | ASN | 0 | -0.015 | 0.000 | 21.795 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 697 | TRP | 0 | 0.029 | 0.021 | 23.760 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 698 | LYS | 1 | 0.814 | 0.896 | 19.896 | -15.388 | -15.388 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 699 | PRO | 0 | -0.008 | -0.010 | 26.927 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 700 | LEU | 0 | -0.001 | 0.004 | 29.175 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 701 | GLY | 0 | 0.005 | 0.022 | 27.855 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 702 | LYS | 1 | 0.817 | 0.893 | 24.918 | -11.025 | -11.025 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 703 | ASP | -1 | -0.771 | -0.898 | 19.935 | 15.646 | 15.646 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 704 | THR | 0 | -0.027 | -0.005 | 23.415 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 705 | LEU | 0 | -0.008 | -0.006 | 26.462 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 706 | ASN | 0 | -0.002 | 0.009 | 22.252 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 707 | VAL | 0 | 0.011 | 0.004 | 25.493 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 708 | ASN | 0 | 0.003 | -0.021 | 22.457 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 709 | LEU | 0 | 0.005 | 0.001 | 25.391 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 710 | SER | 0 | -0.033 | -0.042 | 24.064 | 0.431 | 0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 711 | VAL | 0 | 0.019 | 0.008 | 26.102 | -0.536 | -0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 712 | ASN | 0 | 0.035 | 0.016 | 22.513 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 713 | ASN | 0 | -0.034 | -0.033 | 25.336 | -0.579 | -0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 714 | VAL | 0 | 0.059 | 0.042 | 27.043 | -0.512 | -0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 715 | PHE | 0 | 0.009 | -0.003 | 28.168 | -0.448 | -0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 716 | ASN | 0 | 0.004 | 0.018 | 31.015 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 717 | THR | 0 | 0.019 | 0.011 | 28.695 | -0.448 | -0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 718 | PHE | 0 | -0.003 | 0.015 | 30.740 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 719 | TYR | 0 | -0.052 | -0.027 | 25.180 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 720 | TYR | 0 | 0.033 | 0.025 | 29.239 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 721 | PRO | 0 | 0.018 | 0.016 | 23.833 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 722 | HIS | 0 | 0.011 | -0.008 | 23.457 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 723 | SER | 0 | -0.023 | -0.014 | 21.527 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 724 | GLN | 0 | -0.002 | -0.018 | 23.905 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 725 | ARG | 1 | 0.812 | 0.876 | 27.616 | -9.961 | -9.961 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 726 | TRP | 0 | -0.013 | -0.036 | 31.087 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 727 | THR | 0 | -0.007 | 0.011 | 32.028 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 728 | ASN | 0 | -0.020 | -0.021 | 33.382 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 729 | THR | 0 | -0.011 | 0.006 | 31.932 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 730 | LEU | 0 | 0.020 | 0.012 | 30.168 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 731 | PRO | 0 | 0.016 | 0.026 | 30.158 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 732 | GLY | 0 | 0.028 | -0.003 | 27.607 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 733 | VAL | 0 | -0.006 | 0.002 | 27.100 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 734 | GLY | 0 | 0.030 | 0.016 | 28.722 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 735 | ARG | 1 | 0.821 | 0.892 | 29.398 | -9.161 | -9.161 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 736 | ASP | -1 | -0.753 | -0.867 | 27.873 | 10.742 | 10.742 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 737 | VAL | 0 | -0.049 | -0.014 | 28.302 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 738 | ARG | 1 | 0.819 | 0.904 | 24.843 | -12.637 | -12.637 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 739 | LEU | 0 | 0.013 | 0.008 | 28.093 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 740 | GLY | 0 | 0.019 | 0.001 | 27.396 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 741 | VAL | 0 | -0.017 | 0.001 | 27.622 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 742 | ASN | 0 | -0.067 | -0.045 | 22.942 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 743 | TYR | 0 | 0.051 | 0.026 | 26.687 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 744 | LYS | 1 | 0.819 | 0.890 | 21.815 | -14.416 | -14.416 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 745 | PHE | 0 | 0.064 | 0.047 | 28.278 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |