FMODB ID: YNY62
Calculation Name: 2JDQ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2JDQ
Chain ID: A
UniProt ID: P52294
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 | OptH |
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 | 424 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -6759948.235351 |
---|---|
FMO2-HF: Nuclear repulsion | 6594146.186103 |
FMO2-HF: Total energy | -165802.049247 |
FMO2-MP2: Total energy | -166281.650203 |
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:84:THR)
Summations of interaction energy for
fragment #1(A:84:THR)
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. |
3.424 | 1.786 | 14.574 | -3.857 | -9.078 | -0.016 |
Interaction energy analysis for fragmet #1(A:84:THR)
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 | 86 | ASP | -1 | -0.810 | -0.911 | 1.686 | -1.490 | -3.135 | 7.769 | -2.713 | -3.411 | -0.014 |
4 | A | 87 | MET | 0 | -0.102 | -0.043 | 2.308 | -2.116 | -2.506 | 6.795 | -1.149 | -5.256 | -0.002 |
5 | A | 88 | ILE | 0 | 0.044 | 0.015 | 3.620 | 1.369 | 1.691 | 0.011 | 0.005 | -0.337 | 0.000 |
6 | A | 89 | GLU | -1 | -0.932 | -0.956 | 5.717 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 90 | MET | 0 | -0.064 | -0.031 | 6.569 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 91 | ILE | 0 | 0.012 | 0.035 | 7.784 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 92 | PHE | 0 | -0.021 | -0.008 | 9.338 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 93 | SER | 0 | -0.059 | -0.017 | 11.151 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 94 | LYS | 1 | 0.955 | 0.946 | 12.912 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 95 | SER | 0 | 0.030 | 0.023 | 13.568 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 96 | PRO | 0 | 0.038 | -0.006 | 14.665 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 97 | GLU | -1 | -0.868 | -0.923 | 14.846 | -0.564 | -0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 98 | GLN | 0 | -0.005 | -0.017 | 10.308 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 99 | GLN | 0 | -0.018 | 0.002 | 10.292 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 100 | LEU | 0 | 0.046 | 0.025 | 11.418 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 101 | SER | 0 | 0.004 | -0.002 | 10.084 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 102 | ALA | 0 | -0.008 | -0.007 | 6.874 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 103 | THR | 0 | 0.019 | 0.005 | 7.777 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 104 | GLN | 0 | -0.046 | -0.018 | 10.341 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 105 | LYS | 1 | 0.888 | 0.941 | 4.771 | 2.799 | 2.874 | -0.001 | 0.000 | -0.074 | 0.000 |
23 | A | 106 | PHE | 0 | 0.044 | 0.015 | 5.457 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 107 | ARG | 1 | 0.906 | 0.959 | 8.484 | 0.919 | 0.919 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 108 | LYS | 1 | 0.885 | 0.931 | 9.371 | 0.953 | 0.953 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 109 | LEU | 0 | -0.038 | -0.019 | 5.038 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 110 | LEU | 0 | 0.029 | 0.012 | 9.670 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 111 | SER | 0 | 0.002 | 0.011 | 12.745 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 112 | LYS | 1 | 0.885 | 0.951 | 10.792 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 113 | GLU | -1 | -0.897 | -0.952 | 14.530 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 114 | PRO | 0 | -0.066 | -0.018 | 15.598 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 115 | ASN | 0 | -0.021 | -0.016 | 16.140 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 116 | PRO | 0 | 0.054 | 0.047 | 13.168 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 117 | PRO | 0 | 0.024 | 0.015 | 9.167 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 118 | ILE | 0 | -0.004 | -0.003 | 10.509 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 119 | ASP | -1 | -0.839 | -0.937 | 12.013 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 120 | GLU | -1 | -0.977 | -0.991 | 8.040 | 1.379 | 1.379 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 121 | VAL | 0 | -0.041 | -0.013 | 7.585 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 122 | ILE | 0 | -0.051 | -0.037 | 8.792 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 123 | SER | 0 | -0.046 | -0.003 | 10.281 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 124 | THR | 0 | 0.001 | 0.008 | 6.612 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 125 | PRO | 0 | 0.017 | 0.003 | 9.467 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 126 | GLY | 0 | 0.020 | -0.003 | 11.668 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 127 | VAL | 0 | 0.007 | 0.008 | 7.882 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 128 | VAL | 0 | 0.047 | 0.020 | 11.208 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 129 | ALA | 0 | 0.033 | 0.004 | 13.853 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 130 | ARG | 1 | 0.843 | 0.945 | 12.418 | 0.766 | 0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 131 | PHE | 0 | 0.017 | -0.008 | 9.416 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 132 | VAL | 0 | 0.017 | 0.005 | 15.005 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 133 | GLU | -1 | -0.965 | -0.979 | 17.776 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 134 | PHE | 0 | -0.022 | -0.023 | 12.681 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 135 | LEU | 0 | 0.011 | 0.020 | 18.468 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 136 | LYS | 1 | 0.970 | 1.002 | 21.109 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 137 | ARG | 1 | 0.870 | 0.938 | 17.675 | 0.524 | 0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 138 | LYS | 1 | 0.992 | 0.984 | 22.931 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 139 | GLU | -1 | -0.897 | -0.931 | 25.191 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 140 | ASN | 0 | -0.050 | -0.020 | 18.950 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 141 | CYS | 0 | 0.068 | 0.042 | 21.626 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 142 | THR | 0 | 0.055 | 0.013 | 18.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 143 | LEU | 0 | -0.009 | 0.008 | 14.587 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 144 | GLN | 0 | -0.012 | -0.004 | 17.471 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 145 | PHE | 0 | 0.037 | 0.026 | 19.271 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 146 | GLU | -1 | -0.826 | -0.915 | 14.508 | -0.691 | -0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 147 | SER | 0 | -0.039 | -0.050 | 15.199 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 148 | ALA | 0 | 0.021 | 0.015 | 16.256 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 149 | TRP | 0 | 0.022 | 0.017 | 16.734 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 150 | VAL | 0 | -0.045 | -0.022 | 11.935 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 151 | LEU | 0 | 0.005 | -0.015 | 14.817 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 152 | THR | 0 | 0.018 | 0.016 | 16.918 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 153 | ASN | 0 | -0.017 | -0.023 | 15.711 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 154 | ILE | 0 | -0.055 | -0.007 | 12.858 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 155 | ALA | 0 | -0.016 | -0.005 | 16.485 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 156 | SER | 0 | -0.078 | -0.021 | 19.082 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 157 | GLY | 0 | 0.057 | 0.021 | 19.442 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 158 | ASN | 0 | -0.020 | -0.020 | 20.483 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 159 | SER | 0 | 0.058 | -0.003 | 22.064 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 160 | LEU | 0 | -0.107 | -0.070 | 20.962 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 161 | GLN | 0 | 0.031 | 0.013 | 16.778 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 162 | THR | 0 | 0.056 | 0.023 | 18.839 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 163 | ARG | 1 | 0.916 | 0.966 | 21.351 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 164 | ILE | 0 | 0.021 | 0.017 | 16.275 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 165 | VAL | 0 | 0.017 | 0.010 | 17.696 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 166 | ILE | 0 | 0.014 | 0.007 | 19.804 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 167 | GLN | 0 | -0.050 | -0.027 | 21.860 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 168 | ALA | 0 | -0.043 | -0.007 | 18.743 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 169 | GLY | 0 | -0.014 | -0.005 | 20.745 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 170 | ALA | 0 | -0.009 | -0.016 | 20.778 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 171 | VAL | 0 | 0.016 | 0.019 | 22.824 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 172 | PRO | 0 | 0.045 | 0.006 | 26.084 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 173 | ILE | 0 | 0.030 | 0.018 | 23.382 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 174 | PHE | 0 | 0.019 | -0.007 | 20.322 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 175 | ILE | 0 | 0.012 | 0.006 | 25.945 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 176 | GLU | -1 | -0.967 | -0.979 | 28.307 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 177 | LEU | 0 | -0.081 | -0.039 | 23.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 178 | LEU | 0 | 0.022 | 0.018 | 28.012 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 179 | SER | 0 | -0.059 | -0.016 | 30.736 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 180 | SER | 0 | -0.041 | -0.017 | 27.289 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 181 | GLU | -1 | -0.919 | -0.964 | 30.063 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 182 | PHE | 0 | -0.022 | -0.014 | 26.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 183 | GLU | -1 | -0.905 | -0.958 | 28.567 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 184 | ASP | -1 | -0.849 | -0.925 | 24.002 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 185 | VAL | 0 | -0.062 | -0.028 | 23.302 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 186 | GLN | 0 | -0.028 | -0.005 | 25.251 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 187 | GLU | -1 | -0.790 | -0.904 | 27.231 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 188 | GLN | 0 | -0.041 | -0.027 | 21.026 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 189 | ALA | 0 | -0.002 | -0.001 | 23.726 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 190 | VAL | 0 | 0.025 | 0.008 | 25.373 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 191 | TRP | 0 | 0.009 | 0.008 | 23.893 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 192 | ALA | 0 | -0.006 | 0.005 | 22.342 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 193 | LEU | 0 | -0.012 | -0.021 | 23.640 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 194 | GLY | 0 | 0.022 | 0.023 | 26.773 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 195 | ASN | 0 | -0.030 | -0.013 | 21.945 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 196 | ILE | 0 | -0.032 | -0.017 | 22.951 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 197 | ALA | 0 | -0.034 | -0.028 | 25.871 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 198 | GLY | 0 | -0.006 | -0.003 | 28.408 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 199 | ASP | -1 | -0.828 | -0.873 | 25.890 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 200 | SER | 0 | -0.021 | -0.034 | 27.731 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 201 | THR | 0 | 0.064 | 0.016 | 31.044 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 202 | MET | 0 | -0.002 | -0.004 | 31.010 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 203 | CYS | 0 | -0.073 | -0.018 | 27.025 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 204 | ARG | 1 | 0.820 | 0.920 | 30.120 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 205 | ASP | -1 | -0.849 | -0.931 | 32.620 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 206 | TYR | 0 | 0.036 | 0.027 | 27.562 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 207 | VAL | 0 | 0.014 | -0.001 | 28.856 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 208 | LEU | 0 | -0.044 | -0.026 | 31.624 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 209 | ASP | -1 | -0.896 | -0.945 | 34.914 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 210 | CYS | 0 | -0.120 | -0.044 | 31.358 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 211 | ASN | 0 | -0.039 | -0.025 | 33.637 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 212 | ILE | 0 | 0.061 | 0.027 | 30.883 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 213 | LEU | 0 | 0.006 | 0.002 | 33.958 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 214 | PRO | 0 | 0.005 | -0.006 | 37.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 215 | PRO | 0 | 0.032 | 0.017 | 34.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 216 | LEU | 0 | 0.001 | 0.006 | 32.460 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 217 | LEU | 0 | -0.024 | -0.027 | 35.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 218 | GLN | 0 | 0.018 | 0.015 | 37.652 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 219 | LEU | 0 | -0.027 | -0.011 | 32.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 220 | PHE | 0 | 0.004 | -0.017 | 36.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 221 | SER | 0 | -0.055 | -0.019 | 39.410 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 222 | LYS | 1 | 0.883 | 0.955 | 34.496 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 223 | GLN | 0 | 0.000 | -0.011 | 39.650 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 224 | ASN | 0 | 0.002 | 0.019 | 34.924 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 225 | ARG | 1 | 0.869 | 0.929 | 27.191 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 226 | LEU | 0 | 0.023 | -0.011 | 34.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 227 | THR | 0 | -0.002 | -0.017 | 29.439 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 228 | MET | 0 | 0.027 | 0.044 | 30.948 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 229 | THR | 0 | -0.018 | -0.012 | 32.122 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 230 | ARG | 1 | 0.833 | 0.885 | 32.565 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 231 | ASN | 0 | -0.003 | 0.001 | 27.980 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 232 | ALA | 0 | 0.007 | 0.008 | 31.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 233 | VAL | 0 | 0.010 | -0.002 | 33.419 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 234 | TRP | 0 | 0.004 | 0.030 | 26.808 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 235 | ALA | 0 | 0.022 | 0.018 | 30.555 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 236 | LEU | 0 | -0.001 | -0.006 | 32.095 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 237 | SER | 0 | -0.048 | -0.040 | 34.556 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 238 | ASN | 0 | -0.011 | -0.029 | 29.756 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 239 | LEU | 0 | -0.040 | -0.009 | 32.884 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 240 | CYS | 0 | -0.053 | -0.021 | 35.350 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 241 | ARG | 1 | 0.957 | 1.019 | 33.830 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 242 | GLY | 0 | 0.020 | 0.007 | 37.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 243 | LYS | 1 | 0.942 | 0.958 | 38.118 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 244 | SER | 0 | -0.033 | 0.002 | 39.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 245 | PRO | 0 | 0.010 | 0.008 | 38.595 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 246 | PRO | 0 | 0.024 | 0.001 | 39.604 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 247 | PRO | 0 | 0.030 | 0.039 | 38.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 248 | GLU | -1 | -0.911 | -0.967 | 40.319 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 249 | PHE | 0 | 0.025 | -0.003 | 42.593 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 250 | ALA | 0 | 0.031 | 0.002 | 44.930 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 251 | LYS | 1 | 0.848 | 0.928 | 38.716 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 252 | VAL | 0 | 0.056 | 0.014 | 39.106 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 253 | SER | 0 | 0.007 | 0.019 | 41.582 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 254 | PRO | 0 | 0.008 | 0.000 | 43.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 255 | CYS | 0 | -0.071 | -0.025 | 40.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 256 | LEU | 0 | 0.029 | 0.010 | 42.761 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 257 | ASN | 0 | 0.009 | -0.003 | 45.893 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 258 | VAL | 0 | -0.014 | -0.003 | 40.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 259 | LEU | 0 | 0.000 | -0.015 | 40.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 260 | SER | 0 | -0.006 | 0.005 | 44.123 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 261 | TRP | 0 | -0.003 | 0.001 | 42.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 262 | LEU | 0 | 0.009 | -0.005 | 40.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 263 | LEU | 0 | -0.004 | 0.012 | 44.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 264 | PHE | 0 | -0.033 | -0.014 | 46.462 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 265 | VAL | 0 | -0.043 | -0.002 | 41.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 266 | SER | 0 | -0.004 | -0.016 | 43.547 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 267 | ASP | -1 | -0.763 | -0.868 | 37.248 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 268 | THR | 0 | 0.035 | 0.003 | 39.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 269 | ASP | -1 | -0.897 | -0.938 | 34.082 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 270 | VAL | 0 | -0.035 | -0.016 | 37.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 271 | LEU | 0 | -0.020 | 0.000 | 38.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 272 | ALA | 0 | 0.016 | 0.007 | 38.715 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 273 | ASP | -1 | -0.874 | -0.947 | 34.919 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 274 | ALA | 0 | -0.022 | -0.006 | 38.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 275 | CYS | 0 | -0.024 | -0.015 | 41.162 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 276 | TRP | 0 | -0.001 | 0.006 | 38.490 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 277 | ALA | 0 | 0.013 | 0.001 | 39.297 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 278 | LEU | 0 | 0.015 | 0.010 | 40.618 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 279 | SER | 0 | -0.063 | -0.022 | 42.361 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 280 | TYR | 0 | -0.033 | -0.022 | 37.684 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 281 | LEU | 0 | -0.020 | -0.010 | 42.366 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 282 | SER | 0 | -0.045 | -0.040 | 44.893 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 283 | ASP | -1 | -0.890 | -0.927 | 45.107 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 284 | GLY | 0 | -0.025 | -0.035 | 46.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 285 | PRO | 0 | -0.035 | -0.014 | 49.214 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 286 | ASN | 0 | 0.094 | 0.027 | 52.208 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 287 | ASP | -1 | -0.848 | -0.910 | 52.513 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 288 | LYS | 1 | 0.935 | 0.967 | 45.501 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 289 | ILE | 0 | 0.012 | 0.007 | 50.572 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 290 | GLN | 0 | -0.033 | 0.001 | 52.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 291 | ALA | 0 | 0.031 | 0.019 | 50.246 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 292 | VAL | 0 | -0.011 | -0.013 | 47.857 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 293 | ILE | 0 | -0.021 | -0.023 | 50.553 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 294 | ASP | -1 | -0.923 | -0.954 | 53.577 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 295 | ALA | 0 | -0.076 | -0.025 | 49.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 296 | GLY | 0 | -0.007 | -0.009 | 51.630 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 297 | VAL | 0 | -0.006 | 0.000 | 48.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 298 | CYS | 0 | -0.004 | 0.010 | 51.261 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 299 | ARG | 1 | 0.996 | 0.994 | 53.648 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 300 | ARG | 1 | 0.865 | 0.928 | 48.414 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 301 | LEU | 0 | 0.036 | 0.007 | 47.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 302 | VAL | 0 | -0.012 | 0.001 | 50.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 303 | GLU | -1 | -0.912 | -0.958 | 52.891 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 304 | LEU | 0 | -0.027 | -0.012 | 46.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 305 | LEU | 0 | -0.051 | -0.016 | 49.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 306 | MET | 0 | -0.049 | -0.019 | 51.349 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 307 | HIS | 0 | 0.004 | 0.019 | 44.258 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 308 | ASN | 0 | 0.006 | -0.005 | 46.662 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 309 | ASP | -1 | -0.866 | -0.932 | 40.995 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 310 | TYR | 0 | 0.051 | 0.000 | 43.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 311 | LYS | 1 | 0.928 | 0.966 | 35.689 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 312 | VAL | 0 | 0.023 | 0.017 | 41.191 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 313 | VAL | 0 | 0.014 | 0.009 | 43.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 314 | SER | 0 | -0.022 | -0.020 | 42.860 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 315 | PRO | 0 | -0.002 | 0.006 | 41.335 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 316 | ALA | 0 | 0.040 | 0.020 | 43.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 317 | LEU | 0 | -0.030 | -0.026 | 46.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 318 | ARG | 1 | 0.946 | 0.978 | 42.672 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 319 | ALA | 0 | 0.021 | 0.001 | 46.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 320 | VAL | 0 | -0.009 | -0.007 | 47.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 321 | GLY | 0 | 0.006 | 0.007 | 50.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 322 | ASN | 0 | 0.021 | -0.011 | 46.598 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 323 | ILE | 0 | -0.017 | 0.022 | 50.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 324 | VAL | 0 | -0.047 | -0.033 | 53.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 325 | THR | 0 | -0.056 | -0.032 | 52.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 326 | GLY | 0 | -0.005 | -0.006 | 55.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 327 | ASP | -1 | -0.887 | -0.942 | 57.041 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 328 | ASP | -1 | -0.796 | -0.923 | 60.496 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 329 | ILE | 0 | -0.057 | -0.026 | 61.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 330 | GLN | 0 | -0.017 | -0.031 | 56.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 331 | THR | 0 | -0.011 | 0.020 | 58.473 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 332 | GLN | 0 | 0.058 | 0.026 | 59.656 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 333 | VAL | 0 | -0.063 | -0.032 | 57.586 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 334 | ILE | 0 | 0.032 | 0.022 | 54.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 335 | LEU | 0 | 0.012 | -0.001 | 58.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 336 | ASN | 0 | -0.034 | -0.016 | 61.497 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 337 | CYS | 0 | -0.129 | -0.056 | 57.891 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 338 | SER | 0 | 0.006 | -0.007 | 59.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 339 | ALA | 0 | 0.041 | 0.034 | 56.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 340 | LEU | 0 | 0.038 | 0.018 | 58.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 341 | GLN | 0 | 0.006 | 0.005 | 60.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 342 | SER | 0 | 0.028 | 0.007 | 55.572 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 343 | LEU | 0 | 0.013 | -0.001 | 54.580 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 344 | LEU | 0 | 0.002 | -0.003 | 57.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 345 | HIS | 0 | -0.024 | -0.007 | 53.773 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 346 | LEU | 0 | 0.005 | -0.003 | 51.343 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 347 | LEU | 0 | -0.002 | 0.000 | 53.845 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 348 | SER | 0 | -0.051 | -0.034 | 56.418 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 349 | SER | 0 | -0.019 | 0.003 | 50.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 350 | PRO | 0 | 0.010 | 0.008 | 49.548 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 351 | LYS | 1 | 0.867 | 0.941 | 42.566 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 352 | GLU | -1 | -0.739 | -0.873 | 47.973 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 353 | SER | 0 | -0.014 | -0.018 | 45.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 354 | ILE | 0 | -0.008 | 0.009 | 46.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 355 | LYS | 1 | 0.994 | 1.018 | 49.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 356 | LYS | 1 | 0.936 | 0.965 | 47.841 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 357 | GLU | -1 | -0.931 | -0.975 | 45.840 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 358 | ALA | 0 | 0.052 | 0.031 | 50.596 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 359 | CYS | 0 | -0.056 | -0.018 | 53.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 360 | TRP | 0 | -0.019 | 0.017 | 49.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 361 | THR | 0 | 0.031 | 0.024 | 52.393 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 362 | ILE | 0 | -0.001 | -0.014 | 54.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 363 | SER | 0 | -0.080 | -0.059 | 56.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 364 | ASN | 0 | 0.000 | 0.019 | 53.620 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 365 | ILE | 0 | -0.015 | 0.002 | 57.976 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 366 | THR | 0 | -0.058 | -0.047 | 60.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 367 | ALA | 0 | -0.037 | -0.003 | 60.764 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 368 | GLY | 0 | 0.046 | 0.035 | 62.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 369 | ASN | 0 | 0.016 | 0.026 | 64.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 370 | ARG | 1 | 0.938 | 0.942 | 68.048 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 371 | ALA | 0 | 0.014 | 0.007 | 69.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 372 | GLN | 0 | 0.004 | -0.016 | 64.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 373 | ILE | 0 | 0.026 | 0.032 | 66.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 374 | GLN | 0 | -0.012 | 0.007 | 67.573 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 375 | THR | 0 | -0.035 | -0.018 | 65.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 376 | VAL | 0 | 0.015 | 0.000 | 63.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 377 | ILE | 0 | -0.046 | -0.028 | 65.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 378 | ASP | -1 | -0.883 | -0.949 | 68.920 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 379 | ALA | 0 | -0.082 | -0.026 | 64.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 380 | ASN | 0 | -0.017 | -0.017 | 65.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 381 | ILE | 0 | 0.000 | 0.012 | 61.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 382 | PHE | 0 | 0.033 | -0.006 | 63.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 383 | PRO | 0 | 0.043 | 0.032 | 65.616 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 384 | ALA | 0 | 0.011 | 0.011 | 61.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 385 | LEU | 0 | 0.004 | -0.008 | 59.760 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 386 | ILE | 0 | 0.015 | 0.012 | 61.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 387 | SER | 0 | -0.017 | -0.001 | 62.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 388 | ILE | 0 | -0.027 | -0.022 | 57.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 389 | LEU | 0 | -0.001 | -0.006 | 59.240 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 390 | GLN | 0 | -0.041 | -0.025 | 61.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 391 | THR | 0 | -0.064 | -0.022 | 60.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 392 | ALA | 0 | -0.009 | 0.019 | 55.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 393 | GLU | -1 | -0.917 | -0.962 | 49.091 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 394 | PHE | 0 | 0.005 | -0.010 | 51.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 395 | ARG | 1 | 0.931 | 0.951 | 44.878 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 396 | THR | 0 | 0.011 | -0.009 | 51.734 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 397 | ARG | 1 | 0.941 | 0.980 | 53.426 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 398 | LYS | 1 | 0.946 | 0.973 | 53.219 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 399 | GLU | -1 | -0.927 | -0.967 | 52.479 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 400 | ALA | 0 | 0.020 | 0.004 | 55.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 401 | ALA | 0 | -0.001 | 0.001 | 58.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 402 | TRP | 0 | 0.027 | 0.007 | 56.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 403 | ALA | 0 | -0.012 | 0.013 | 59.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 404 | ILE | 0 | -0.019 | -0.009 | 60.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 405 | THR | 0 | 0.007 | -0.011 | 63.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 406 | ASN | 0 | 0.014 | 0.007 | 59.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 407 | ALA | 0 | 0.040 | 0.052 | 64.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 408 | THR | 0 | -0.075 | -0.050 | 66.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 409 | SER | 0 | -0.059 | -0.048 | 66.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 410 | GLY | 0 | 0.041 | 0.020 | 68.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 411 | GLY | 0 | 0.008 | 0.000 | 69.273 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 412 | SER | 0 | -0.091 | -0.054 | 71.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 413 | ALA | 0 | 0.039 | 0.012 | 75.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 414 | GLU | -1 | -0.855 | -0.939 | 77.549 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 415 | GLN | 0 | -0.035 | -0.019 | 71.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 416 | ILE | 0 | 0.026 | 0.010 | 71.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 417 | LYS | 1 | 0.963 | 0.999 | 73.959 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 418 | TYR | 0 | 0.052 | 0.020 | 70.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 419 | LEU | 0 | -0.020 | -0.015 | 68.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 420 | VAL | 0 | -0.001 | -0.024 | 71.697 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 421 | GLU | -1 | -0.990 | -0.994 | 74.103 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 422 | LEU | 0 | -0.067 | -0.017 | 69.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 423 | GLY | 0 | -0.012 | 0.009 | 70.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 424 | CYS | 0 | -0.043 | -0.022 | 68.266 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 425 | ILE | 0 | 0.055 | 0.022 | 68.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 426 | LYS | 1 | 0.877 | 0.943 | 69.098 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 427 | PRO | 0 | -0.007 | -0.008 | 64.992 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 428 | LEU | 0 | 0.012 | 0.004 | 64.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 429 | CYS | 0 | -0.007 | 0.001 | 66.174 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 430 | ASP | -1 | -0.838 | -0.918 | 64.900 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 431 | LEU | 0 | -0.074 | -0.040 | 60.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 432 | LEU | 0 | -0.008 | 0.000 | 62.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 433 | THR | 0 | -0.078 | -0.033 | 64.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 434 | VAL | 0 | -0.021 | 0.001 | 57.880 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 435 | MET | 0 | -0.006 | 0.000 | 57.151 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 436 | ASP | -1 | -0.856 | -0.960 | 54.452 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 437 | SER | 0 | 0.034 | 0.017 | 56.822 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 438 | LYS | 1 | 0.960 | 0.971 | 51.779 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 439 | ILE | 0 | 0.005 | 0.010 | 56.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 440 | VAL | 0 | 0.034 | 0.034 | 58.872 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 441 | GLN | 0 | 0.017 | 0.014 | 60.378 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 442 | VAL | 0 | -0.029 | 0.001 | 58.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 443 | ALA | 0 | 0.016 | 0.007 | 62.067 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 444 | LEU | 0 | 0.021 | -0.007 | 64.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 445 | ASN | 0 | 0.004 | 0.012 | 64.949 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 446 | GLY | 0 | 0.040 | 0.022 | 66.293 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 447 | LEU | 0 | -0.020 | -0.020 | 67.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 448 | GLU | -1 | -0.935 | -0.956 | 70.113 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 449 | ASN | 0 | -0.059 | -0.038 | 67.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 450 | ILE | 0 | -0.008 | -0.008 | 70.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 451 | LEU | 0 | 0.038 | 0.020 | 73.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 452 | ARG | 1 | 0.961 | 0.996 | 71.809 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 453 | LEU | 0 | -0.048 | -0.036 | 74.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 454 | GLY | 0 | 0.046 | 0.020 | 77.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 455 | GLU | -1 | -0.884 | -0.946 | 80.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 456 | GLN | 0 | -0.080 | -0.044 | 78.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 457 | GLU | -1 | -0.892 | -0.960 | 80.805 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 458 | ALA | 0 | 0.017 | 0.019 | 83.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 459 | LYS | 1 | 0.872 | 0.927 | 84.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 460 | ARG | 1 | 0.861 | 0.938 | 81.287 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 461 | ASN | 0 | -0.014 | -0.002 | 86.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 462 | GLY | 0 | -0.026 | -0.003 | 89.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 463 | THR | 0 | 0.001 | 0.001 | 88.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 464 | GLY | 0 | 0.009 | 0.016 | 88.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 465 | ILE | 0 | -0.036 | -0.016 | 85.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 466 | ASN | 0 | -0.028 | -0.030 | 79.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 467 | PRO | 0 | -0.014 | -0.006 | 81.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 468 | TYR | 0 | 0.017 | -0.016 | 76.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 469 | CYS | 0 | -0.003 | 0.015 | 77.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 470 | ALA | 0 | 0.096 | 0.052 | 79.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 471 | LEU | 0 | -0.011 | 0.002 | 76.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 472 | ILE | 0 | 0.014 | -0.002 | 73.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 473 | GLU | -1 | -0.915 | -0.980 | 75.014 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 474 | GLU | -1 | -0.965 | -0.972 | 77.014 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 475 | ALA | 0 | -0.094 | -0.030 | 71.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 476 | TYR | 0 | -0.026 | -0.034 | 68.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 477 | GLY | 0 | 0.024 | 0.015 | 72.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 478 | LEU | 0 | 0.048 | 0.022 | 75.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 479 | ASP | -1 | -0.888 | -0.938 | 75.456 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 480 | LYS | 1 | 0.887 | 0.940 | 68.838 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 481 | ILE | 0 | 0.000 | 0.007 | 74.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 482 | GLU | -1 | -0.913 | -0.957 | 76.789 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 483 | PHE | 0 | -0.085 | -0.043 | 71.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 484 | LEU | 0 | -0.015 | -0.029 | 71.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 485 | GLN | 0 | -0.011 | 0.007 | 75.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 486 | SER | 0 | -0.017 | 0.019 | 78.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 487 | HIS | 0 | 0.002 | -0.019 | 77.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 488 | GLU | -1 | -0.888 | -0.938 | 78.520 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 489 | ASN | 0 | -0.056 | -0.040 | 75.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 490 | GLN | 0 | 0.018 | 0.014 | 73.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 491 | GLU | -1 | -0.936 | -0.972 | 73.805 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 492 | ILE | 0 | -0.024 | -0.012 | 72.812 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 493 | TYR | 0 | -0.028 | -0.018 | 68.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 494 | GLN | 0 | -0.036 | 0.002 | 69.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 495 | LYS | 1 | 0.963 | 0.983 | 69.912 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 496 | ALA | 0 | -0.034 | -0.021 | 68.577 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 497 | PHE | 0 | -0.002 | -0.012 | 63.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 498 | ASP | -1 | -0.828 | -0.908 | 65.331 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 499 | LEU | 0 | -0.103 | -0.048 | 66.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 500 | ILE | 0 | -0.019 | -0.020 | 62.016 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 501 | GLU | -1 | -0.880 | -0.947 | 61.220 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 502 | HIS | 0 | -0.069 | -0.019 | 61.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 503 | TYR | 0 | -0.099 | -0.056 | 63.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 504 | PHE | 0 | -0.068 | -0.034 | 59.715 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 505 | GLY | 0 | -0.010 | 0.022 | 57.944 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 506 | THR | 0 | 0.010 | -0.005 | 57.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 507 | GLU | -1 | -1.024 | -1.003 | 53.005 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |