![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 6G64Z
Calculation Name: 3DMY-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3DMY
Chain ID: A
UniProt ID: Q47208
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 | 455 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7188311.760642 |
---|---|
FMO2-HF: Nuclear repulsion | 7019535.33766 |
FMO2-HF: Total energy | -168776.422982 |
FMO2-MP2: Total energy | -169266.024897 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F039639/ligand_interaction/ligand_F039639.png)
Ligand Interaction
![ligand interaction](./Kdata/F039639/ligand_interaction/ligand_interaction_F039639.png)
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:101:ALA)
Summations of interaction energy for
fragment #1(A:101:ALA)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-8.421 | -5.457 | 2.062 | -2.553 | -2.473 | -0.017 |
Interaction energy analysis for fragmet #1(A:101:ALA)
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 | 103 | THR | 0 | 0.028 | 0.008 | 3.811 | -0.311 | 1.645 | -0.016 | -1.002 | -0.938 | 0.007 |
4 | A | 104 | GLN | 0 | -0.014 | 0.000 | 6.040 | 0.561 | 0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 105 | VAL | 0 | -0.010 | -0.001 | 8.521 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 106 | ARG | 1 | 0.874 | 0.935 | 11.809 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 107 | ARG | 1 | 0.929 | 0.977 | 15.372 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 108 | TRP | 0 | 0.081 | 0.020 | 16.660 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 109 | ASP | -1 | -0.847 | -0.919 | 17.702 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 110 | SER | 0 | 0.000 | -0.014 | 14.418 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 111 | ALA | 0 | 0.025 | -0.001 | 13.548 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 112 | CYS | 0 | -0.012 | -0.007 | 14.478 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 113 | GLN | 0 | -0.015 | 0.014 | 13.858 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 114 | LYS | 1 | 0.850 | 0.924 | 8.967 | 0.840 | 0.840 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 115 | LEU | 0 | -0.006 | 0.001 | 11.448 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 116 | PRO | 0 | -0.010 | -0.011 | 13.901 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 117 | ASP | -1 | -0.904 | -0.938 | 16.202 | -0.575 | -0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 118 | ALA | 0 | -0.022 | -0.028 | 16.190 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 119 | ASN | 0 | -0.001 | -0.013 | 17.290 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 120 | LEU | 0 | -0.004 | -0.001 | 18.122 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 121 | ALA | 0 | -0.014 | 0.006 | 17.559 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 122 | LEU | 0 | 0.006 | 0.004 | 15.653 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 123 | ILE | 0 | -0.010 | -0.009 | 17.841 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 124 | SER | 0 | 0.046 | 0.038 | 17.663 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 125 | VAL | 0 | -0.035 | -0.001 | 20.054 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 126 | ALA | 0 | -0.001 | 0.020 | 21.862 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 127 | GLY | 0 | 0.102 | 0.048 | 25.182 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 128 | GLU | -1 | -0.916 | -0.963 | 27.879 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 129 | TYR | 0 | -0.004 | -0.021 | 25.595 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 130 | ALA | 0 | -0.034 | -0.007 | 25.136 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 131 | ALA | 0 | 0.096 | 0.035 | 26.194 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 132 | GLU | -1 | -0.948 | -0.968 | 27.499 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 133 | LEU | 0 | 0.004 | -0.016 | 21.384 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 134 | ALA | 0 | 0.037 | 0.018 | 24.246 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 135 | ASN | 0 | 0.035 | 0.012 | 26.036 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 136 | GLN | 0 | 0.024 | 0.034 | 24.218 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 137 | ALA | 0 | -0.015 | -0.003 | 22.921 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 138 | LEU | 0 | 0.043 | 0.021 | 24.094 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 139 | ASP | -1 | -0.883 | -0.911 | 27.159 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 140 | ARG | 1 | 0.798 | 0.886 | 21.881 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 141 | ASN | 0 | -0.030 | -0.023 | 24.503 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 142 | LEU | 0 | 0.024 | 0.024 | 20.303 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 143 | ASN | 0 | 0.061 | 0.039 | 22.744 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 144 | VAL | 0 | 0.004 | -0.008 | 22.249 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 145 | MET | 0 | 0.008 | 0.010 | 20.977 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 146 | MET | 0 | -0.042 | -0.009 | 21.866 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 147 | PHE | 0 | 0.036 | 0.019 | 21.190 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 148 | SER | 0 | -0.080 | -0.070 | 23.129 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 149 | ASP | -1 | -0.819 | -0.896 | 25.045 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 150 | ASN | 0 | -0.070 | -0.040 | 28.458 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 151 | VAL | 0 | 0.050 | 0.031 | 28.760 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 152 | THR | 0 | 0.005 | -0.004 | 31.887 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 153 | LEU | 0 | 0.013 | 0.006 | 34.765 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 154 | GLU | -1 | -0.857 | -0.939 | 36.629 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 155 | ASP | -1 | -0.831 | -0.911 | 32.769 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 156 | GLU | -1 | -0.796 | -0.891 | 32.385 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 157 | ILE | 0 | -0.037 | -0.026 | 33.431 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 158 | GLN | 0 | 0.027 | 0.019 | 33.143 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 159 | LEU | 0 | -0.031 | -0.028 | 28.998 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 160 | LYS | 1 | 0.760 | 0.868 | 31.298 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 161 | THR | 0 | -0.059 | -0.022 | 33.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 162 | ARG | 1 | 0.836 | 0.883 | 30.145 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 163 | ALA | 0 | 0.008 | -0.005 | 30.183 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 164 | ARG | 1 | 0.989 | 1.015 | 31.805 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 165 | GLU | -1 | -0.993 | -0.984 | 34.687 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 166 | LYS | 1 | 0.839 | 0.924 | 30.815 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 167 | GLY | 0 | -0.013 | 0.007 | 31.898 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 168 | LEU | 0 | -0.091 | -0.037 | 26.354 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 169 | LEU | 0 | 0.041 | 0.008 | 26.078 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 170 | VAL | 0 | -0.018 | -0.012 | 26.357 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 171 | MET | 0 | -0.013 | -0.002 | 22.279 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 172 | GLY | 0 | 0.024 | -0.020 | 26.435 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 173 | PRO | 0 | -0.057 | -0.031 | 27.658 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 174 | ASP | -1 | -0.909 | -0.959 | 27.354 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 175 | CYS | 0 | -0.077 | 0.009 | 24.277 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 176 | GLY | 0 | -0.001 | -0.022 | 23.744 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 177 | THR | 0 | -0.008 | -0.049 | 22.323 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 178 | SER | 0 | 0.045 | 0.008 | 21.589 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 179 | MET | 0 | -0.031 | 0.001 | 19.974 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 180 | ILE | 0 | 0.041 | 0.035 | 19.786 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 181 | ALA | 0 | 0.060 | 0.035 | 19.188 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 182 | GLY | 0 | 0.009 | 0.012 | 18.541 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 183 | THR | 0 | -0.082 | -0.050 | 14.213 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 184 | PRO | 0 | -0.043 | -0.016 | 13.933 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 185 | LEU | 0 | 0.019 | -0.004 | 15.298 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 186 | ALA | 0 | -0.007 | 0.003 | 16.733 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 187 | PHE | 0 | -0.012 | 0.013 | 17.862 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 188 | ALA | 0 | -0.003 | 0.041 | 18.162 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 189 | ASN | 0 | 0.010 | -0.016 | 19.486 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 190 | VAL | 0 | 0.000 | -0.008 | 17.207 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 191 | MET | 0 | -0.009 | 0.007 | 19.809 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 192 | PRO | 0 | 0.001 | 0.005 | 22.359 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 193 | GLU | -1 | -0.924 | -0.965 | 23.209 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 194 | GLY | 0 | 0.001 | -0.008 | 25.494 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 195 | ASN | 0 | -0.037 | 0.013 | 28.848 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 196 | ILE | 0 | 0.018 | 0.012 | 30.673 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 197 | GLY | 0 | 0.018 | 0.016 | 29.388 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 198 | VAL | 0 | -0.011 | -0.015 | 28.285 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 199 | ILE | 0 | 0.007 | 0.018 | 28.792 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 200 | GLY | 0 | 0.034 | -0.008 | 29.921 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 201 | ALA | 0 | -0.042 | -0.006 | 30.024 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 202 | SER | 0 | -0.014 | -0.035 | 30.402 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 203 | GLY | 0 | 0.059 | 0.042 | 27.272 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 204 | THR | 0 | 0.045 | 0.003 | 27.482 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 205 | GLY | 0 | 0.006 | 0.014 | 28.866 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 206 | ILE | 0 | 0.020 | 0.024 | 26.293 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 207 | GLN | 0 | -0.047 | -0.029 | 23.069 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 208 | GLU | -1 | -0.832 | -0.910 | 27.078 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 209 | LEU | 0 | -0.034 | -0.007 | 30.312 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 210 | CYS | 0 | -0.028 | -0.029 | 26.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 211 | SER | 0 | -0.022 | -0.012 | 27.784 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 212 | GLN | 0 | -0.009 | -0.029 | 28.734 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 213 | ILE | 0 | -0.015 | 0.000 | 30.319 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 214 | ALA | 0 | 0.000 | 0.007 | 27.563 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 215 | LEU | 0 | -0.063 | -0.019 | 29.650 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 216 | ALA | 0 | -0.074 | -0.041 | 32.004 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 217 | GLY | 0 | -0.046 | -0.025 | 32.642 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 218 | GLU | -1 | -0.906 | -0.940 | 31.955 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 219 | GLY | 0 | 0.023 | -0.013 | 28.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 220 | ILE | 0 | -0.072 | -0.045 | 24.093 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 221 | THR | 0 | -0.031 | -0.006 | 26.027 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 222 | HIS | 0 | 0.050 | 0.004 | 23.886 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 223 | ALA | 0 | -0.006 | 0.008 | 24.242 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 224 | ILE | 0 | -0.033 | -0.034 | 24.549 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 225 | GLY | 0 | 0.043 | 0.021 | 25.492 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 226 | LEU | 0 | -0.036 | -0.032 | 27.102 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 227 | GLY | 0 | 0.074 | 0.044 | 29.257 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 228 | GLY | 0 | -0.008 | -0.010 | 30.026 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 229 | ARG | 1 | 0.819 | 0.889 | 32.687 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 230 | ASP | -1 | -0.698 | -0.820 | 33.010 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 231 | LEU | 0 | 0.005 | -0.008 | 35.036 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 232 | SER | 0 | -0.069 | -0.027 | 38.062 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 233 | ARG | 1 | 0.938 | 0.955 | 40.045 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 234 | GLU | -1 | -0.895 | -0.965 | 41.050 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 235 | VAL | 0 | -0.043 | 0.005 | 35.535 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 236 | GLY | 0 | -0.037 | -0.020 | 38.915 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 237 | GLY | 0 | -0.007 | -0.003 | 37.021 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 238 | ILE | 0 | -0.050 | -0.026 | 34.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 239 | SER | 0 | 0.027 | -0.004 | 30.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 240 | ALA | 0 | 0.006 | -0.002 | 32.566 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 241 | LEU | 0 | -0.032 | -0.019 | 34.487 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 242 | THR | 0 | 0.026 | 0.023 | 30.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 243 | ALA | 0 | -0.012 | -0.011 | 30.748 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 244 | LEU | 0 | -0.012 | -0.016 | 31.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 245 | GLU | -1 | -0.923 | -0.956 | 34.680 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 246 | MET | 0 | -0.030 | -0.019 | 26.556 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 247 | LEU | 0 | 0.014 | 0.005 | 28.617 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 248 | SER | 0 | -0.010 | 0.006 | 31.874 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 249 | ALA | 0 | -0.027 | -0.010 | 33.059 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 250 | ASP | -1 | -0.811 | -0.895 | 28.918 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 251 | GLU | -1 | -0.942 | -0.983 | 31.562 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 252 | LYS | 1 | 0.955 | 0.978 | 26.410 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 253 | SER | 0 | -0.033 | -0.033 | 29.787 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 254 | GLU | -1 | -0.838 | -0.895 | 31.944 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 255 | VAL | 0 | 0.004 | 0.016 | 34.409 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 256 | LEU | 0 | -0.012 | 0.002 | 33.441 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 257 | ALA | 0 | 0.029 | 0.028 | 33.146 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 258 | PHE | 0 | 0.002 | -0.006 | 33.196 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 259 | VAL | 0 | 0.037 | 0.032 | 32.101 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 260 | SER | 0 | -0.018 | -0.022 | 33.940 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 261 | LYS | 1 | 0.940 | 0.980 | 36.107 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 262 | PRO | 0 | 0.042 | 0.019 | 38.833 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 263 | PRO | 0 | -0.014 | 0.022 | 40.772 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 264 | ALA | 0 | 0.018 | -0.004 | 42.624 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 265 | GLU | -1 | -0.898 | -0.956 | 45.850 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 266 | ALA | 0 | 0.009 | -0.006 | 47.565 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 267 | VAL | 0 | -0.011 | 0.001 | 41.093 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 268 | ARG | 1 | 1.018 | 1.004 | 43.073 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 269 | LEU | 0 | -0.029 | -0.002 | 44.134 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 270 | LYS | 1 | 0.925 | 0.968 | 42.269 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 271 | ILE | 0 | 0.003 | -0.002 | 38.564 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 272 | VAL | 0 | 0.051 | 0.022 | 41.480 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 273 | ASN | 0 | -0.002 | 0.001 | 43.777 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 274 | ALA | 0 | 0.013 | 0.017 | 39.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 275 | MET | 0 | -0.016 | -0.015 | 38.378 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 276 | LYS | 1 | 0.827 | 0.933 | 40.844 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 277 | ALA | 0 | -0.033 | -0.013 | 42.118 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 278 | THR | 0 | -0.035 | -0.011 | 37.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 279 | GLY | 0 | 0.003 | 0.012 | 40.241 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 280 | LYS | 1 | 0.804 | 0.912 | 34.389 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 281 | PRO | 0 | -0.016 | 0.030 | 39.316 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 282 | THR | 0 | -0.003 | -0.021 | 37.462 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 283 | VAL | 0 | -0.018 | -0.001 | 37.645 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 284 | ALA | 0 | -0.017 | -0.012 | 37.841 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 285 | LEU | 0 | -0.021 | -0.009 | 35.870 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 286 | PHE | 0 | -0.021 | -0.018 | 38.299 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 287 | LEU | 0 | -0.015 | -0.035 | 35.462 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 288 | GLY | 0 | 0.023 | 0.012 | 40.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 289 | TYR | 0 | -0.033 | -0.014 | 43.261 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 290 | THR | 0 | -0.005 | -0.001 | 45.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 291 | PRO | 0 | -0.003 | 0.002 | 46.012 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 292 | ALA | 0 | -0.009 | 0.006 | 48.347 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 293 | VAL | 0 | 0.047 | 0.026 | 50.003 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 294 | ALA | 0 | 0.029 | 0.003 | 48.377 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 295 | ARG | 1 | 0.900 | 0.941 | 47.061 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 296 | ASP | -1 | -0.895 | -0.947 | 47.433 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 297 | GLU | -1 | -0.824 | -0.914 | 47.304 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 298 | ASN | 0 | -0.034 | -0.029 | 41.953 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 299 | VAL | 0 | -0.012 | -0.010 | 42.340 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 300 | TRP | 0 | 0.022 | 0.004 | 42.523 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 301 | PHE | 0 | -0.038 | -0.030 | 42.386 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 302 | ALA | 0 | 0.021 | 0.028 | 40.602 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 303 | SER | 0 | -0.066 | -0.038 | 42.282 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 304 | SER | 0 | -0.028 | -0.027 | 40.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 305 | LEU | 0 | 0.016 | -0.010 | 33.515 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 306 | ASP | -1 | -0.851 | -0.930 | 36.513 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 307 | GLU | -1 | -0.828 | -0.898 | 37.560 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 308 | ALA | 0 | -0.006 | -0.025 | 36.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 309 | ALA | 0 | 0.052 | 0.029 | 34.567 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 310 | ARG | 1 | 0.970 | 0.997 | 36.093 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 311 | LEU | 0 | -0.057 | -0.039 | 39.036 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 312 | ALA | 0 | 0.041 | 0.019 | 35.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 313 | CYS | 0 | 0.012 | 0.012 | 35.049 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 314 | LEU | 0 | -0.048 | -0.004 | 36.919 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 315 | LEU | 0 | -0.001 | -0.008 | 39.168 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 316 | SER | 0 | -0.032 | -0.039 | 34.543 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 317 | ARG | 1 | 0.927 | 0.932 | 37.253 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 318 | VAL | 0 | -0.039 | -0.016 | 39.177 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 319 | THR | 0 | 0.003 | -0.005 | 38.137 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 320 | ALA | 0 | 0.028 | 0.028 | 36.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 321 | ARG | 1 | 0.951 | 0.976 | 38.362 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 322 | ARG | 1 | 0.888 | 0.941 | 41.510 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 323 | ASN | 0 | -0.026 | -0.033 | 37.572 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 324 | ALA | 0 | -0.045 | -0.008 | 39.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 325 | ILE | 0 | -0.073 | -0.040 | 40.918 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 326 | ALA | 0 | -0.014 | -0.004 | 43.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 327 | PRO | 0 | -0.017 | 0.014 | 44.861 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 328 | VAL | 0 | 0.047 | -0.007 | 48.222 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 329 | SER | 0 | -0.071 | -0.048 | 50.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 330 | SER | 0 | 0.056 | 0.027 | 54.015 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 331 | GLY | 0 | -0.033 | -0.024 | 55.275 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 332 | PHE | 0 | -0.035 | -0.021 | 57.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 333 | ILE | 0 | 0.027 | 0.006 | 54.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 334 | CYS | 0 | -0.028 | 0.001 | 57.822 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 335 | GLY | 0 | 0.001 | 0.003 | 58.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 336 | LEU | 0 | -0.003 | 0.013 | 59.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 337 | TYR | 0 | 0.018 | -0.006 | 55.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 338 | THR | 0 | -0.055 | -0.034 | 61.386 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 339 | GLY | 0 | 0.062 | 0.019 | 61.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 340 | GLY | 0 | 0.071 | 0.042 | 62.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 341 | THR | 0 | 0.005 | -0.011 | 59.961 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 342 | LEU | 0 | -0.029 | -0.008 | 56.596 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 343 | ALA | 0 | 0.026 | 0.018 | 58.570 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 344 | ALA | 0 | 0.040 | 0.012 | 60.508 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 345 | GLU | -1 | -0.937 | -0.963 | 54.223 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 346 | ALA | 0 | -0.024 | -0.024 | 55.649 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 347 | ALA | 0 | 0.006 | 0.009 | 56.702 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 348 | GLY | 0 | 0.042 | 0.023 | 58.593 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 349 | LEU | 0 | -0.060 | -0.040 | 51.892 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 350 | LEU | 0 | -0.021 | -0.015 | 54.096 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 351 | ALA | 0 | 0.019 | 0.018 | 55.391 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 352 | GLY | 0 | 0.032 | 0.024 | 54.838 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 353 | HIS | 0 | -0.117 | -0.069 | 50.446 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 354 | LEU | 0 | -0.043 | -0.022 | 52.726 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 355 | GLY | 0 | -0.035 | 0.007 | 55.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 356 | VAL | 0 | -0.024 | -0.023 | 56.887 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 357 | GLU | -1 | -0.963 | -0.988 | 60.009 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 358 | ALA | 0 | -0.028 | -0.015 | 59.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 359 | ASP | -1 | -0.896 | -0.944 | 61.717 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 360 | ASP | -1 | -0.898 | -0.941 | 64.706 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 361 | THR | 0 | -0.127 | -0.060 | 67.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 362 | HIS | 0 | -0.039 | -0.035 | 65.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 363 | GLN | 0 | 0.017 | 0.002 | 69.568 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 364 | HIS | 0 | -0.045 | -0.030 | 71.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 365 | GLY | 0 | 0.099 | 0.056 | 68.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 366 | MET | 0 | -0.091 | -0.024 | 66.787 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 367 | MET | 0 | -0.005 | -0.001 | 63.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 368 | LEU | 0 | 0.023 | -0.002 | 59.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 369 | ASP | -1 | -0.901 | -0.963 | 63.717 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 370 | ALA | 0 | 0.031 | 0.031 | 61.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 371 | ASP | -1 | -0.930 | -0.957 | 60.726 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 372 | SER | 0 | -0.051 | -0.044 | 61.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 373 | HIS | 0 | -0.006 | 0.016 | 57.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 374 | GLN | 0 | 0.017 | -0.003 | 61.005 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 375 | ILE | 0 | -0.065 | -0.019 | 58.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 376 | ILE | 0 | -0.027 | -0.028 | 61.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 377 | ASP | -1 | -0.818 | -0.912 | 63.843 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 378 | LEU | 0 | -0.086 | -0.054 | 64.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 379 | GLY | 0 | -0.027 | -0.026 | 67.175 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 380 | ASP | -1 | -0.845 | -0.923 | 68.605 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 381 | ASP | -1 | -0.891 | -0.959 | 71.057 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 382 | PHE | 0 | -0.115 | -0.046 | 72.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 383 | TYR | 0 | -0.045 | -0.028 | 69.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 384 | THR | 0 | 0.009 | 0.002 | 71.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 385 | VAL | 0 | 0.018 | 0.025 | 74.343 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 386 | GLY | 0 | -0.055 | -0.036 | 77.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 387 | ARG | 1 | 0.842 | 0.928 | 72.703 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 388 | PRO | 0 | 0.008 | 0.001 | 72.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 389 | HIS | 0 | 0.097 | 0.061 | 66.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 390 | PRO | 0 | 0.066 | 0.031 | 65.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 391 | MET | 0 | -0.062 | -0.037 | 62.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 392 | ILE | 0 | -0.083 | -0.027 | 65.192 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 393 | ASP | -1 | -0.874 | -0.916 | 67.805 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 394 | PRO | 0 | 0.007 | -0.003 | 64.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 395 | THR | 0 | -0.045 | -0.036 | 66.196 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 396 | LEU | 0 | -0.006 | 0.000 | 68.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 397 | ARG | 1 | 0.824 | 0.907 | 59.661 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 398 | ASN | 0 | 0.068 | 0.018 | 62.853 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 399 | GLN | 0 | -0.089 | -0.037 | 64.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 400 | LEU | 0 | -0.003 | -0.010 | 65.812 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 401 | ILE | 0 | -0.011 | 0.003 | 59.997 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 402 | ALA | 0 | -0.007 | -0.001 | 62.810 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 403 | ASP | -1 | -0.822 | -0.923 | 64.263 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 404 | LEU | 0 | -0.033 | -0.001 | 60.378 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 405 | GLY | 0 | 0.011 | 0.009 | 62.433 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 406 | ALA | 0 | -0.064 | -0.025 | 63.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 407 | LYS | 1 | 0.891 | 0.945 | 64.037 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 408 | PRO | 0 | 0.042 | 0.026 | 61.388 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 409 | GLN | 0 | 0.068 | 0.043 | 60.245 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 410 | VAL | 0 | -0.027 | -0.006 | 59.231 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 411 | ARG | 1 | 0.815 | 0.918 | 53.539 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 412 | VAL | 0 | -0.003 | 0.004 | 52.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 413 | LEU | 0 | -0.001 | 0.009 | 55.094 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 414 | LEU | 0 | -0.045 | -0.026 | 52.761 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 415 | LEU | 0 | 0.005 | -0.015 | 55.029 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 416 | ASP | -1 | -0.697 | -0.844 | 55.028 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 417 | VAL | 0 | 0.011 | 0.005 | 55.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 418 | VAL | 0 | 0.015 | 0.010 | 56.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 419 | ILE | 0 | -0.057 | -0.011 | 54.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 420 | GLY | 0 | 0.029 | 0.017 | 58.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 421 | PHE | 0 | -0.041 | -0.044 | 60.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 422 | GLY | 0 | -0.020 | -0.010 | 63.981 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 423 | ALA | 0 | 0.031 | 0.040 | 62.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 424 | THR | 0 | 0.011 | -0.005 | 62.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 425 | ALA | 0 | 0.000 | -0.004 | 62.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 426 | ASP | -1 | -0.871 | -0.949 | 57.971 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 427 | PRO | 0 | -0.031 | -0.008 | 58.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 428 | ALA | 0 | 0.078 | 0.045 | 54.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 429 | ALA | 0 | 0.075 | 0.051 | 56.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 430 | SER | 0 | -0.073 | -0.042 | 58.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 431 | LEU | 0 | 0.010 | 0.006 | 57.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 432 | VAL | 0 | 0.007 | 0.004 | 54.430 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 433 | SER | 0 | -0.032 | -0.015 | 57.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 434 | ALA | 0 | -0.035 | -0.021 | 60.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 435 | TRP | 0 | 0.031 | 0.001 | 52.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 436 | GLN | 0 | 0.028 | 0.019 | 54.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 437 | LYS | 1 | 0.914 | 0.960 | 58.393 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 438 | ALA | 0 | 0.017 | 0.014 | 59.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 439 | CYS | 0 | -0.050 | -0.035 | 56.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 440 | ALA | 0 | -0.047 | -0.014 | 58.345 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 441 | ALA | 0 | -0.051 | -0.018 | 60.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 442 | ARG | 1 | 0.739 | 0.880 | 58.326 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 443 | LEU | 0 | 0.011 | 0.005 | 59.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 444 | ASP | -1 | -0.831 | -0.916 | 54.494 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 445 | ASN | 0 | -0.025 | -0.008 | 54.594 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 446 | GLN | 0 | -0.111 | -0.071 | 56.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 447 | PRO | 0 | 0.079 | 0.059 | 52.573 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 448 | LEU | 0 | 0.008 | -0.002 | 55.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 449 | TYR | 0 | 0.054 | 0.021 | 49.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 450 | ALA | 0 | 0.029 | 0.024 | 51.952 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 451 | ILE | 0 | -0.015 | -0.007 | 49.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 452 | ALA | 0 | 0.017 | 0.003 | 50.741 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 453 | THR | 0 | -0.008 | 0.014 | 50.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 454 | VAL | 0 | 0.033 | 0.007 | 51.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 455 | THR | 0 | -0.027 | -0.008 | 52.226 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 456 | GLY | 0 | 0.073 | 0.019 | 53.845 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 457 | THR | 0 | -0.075 | -0.056 | 52.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 458 | GLU | -1 | -0.760 | -0.878 | 48.976 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 459 | ARG | 1 | 0.892 | 0.948 | 51.737 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 460 | ASP | -1 | -0.765 | -0.866 | 54.813 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 461 | PRO | 0 | -0.074 | -0.049 | 56.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 462 | GLN | 0 | 0.054 | 0.010 | 57.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 463 | CYS | 0 | -0.076 | 0.007 | 52.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 464 | ARG | 1 | 0.891 | 0.929 | 48.002 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 465 | SER | 0 | -0.023 | -0.042 | 47.268 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 466 | GLN | 0 | 0.046 | 0.016 | 48.928 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 467 | GLN | 0 | -0.003 | 0.005 | 51.247 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 468 | ILE | 0 | -0.010 | -0.016 | 46.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 469 | ALA | 0 | 0.048 | 0.031 | 47.430 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 470 | THR | 0 | -0.018 | -0.001 | 48.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 471 | LEU | 0 | -0.072 | -0.038 | 50.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 472 | GLU | -1 | -0.917 | -0.969 | 44.533 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 473 | ASP | -1 | -0.921 | -0.946 | 46.841 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 474 | ALA | 0 | -0.098 | -0.049 | 48.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 475 | GLY | 0 | -0.019 | -0.018 | 47.927 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 476 | ILE | 0 | -0.079 | -0.033 | 49.012 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 477 | ALA | 0 | -0.020 | -0.009 | 46.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 478 | VAL | 0 | 0.017 | 0.013 | 46.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 479 | VAL | 0 | -0.018 | 0.005 | 44.906 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 480 | SER | 0 | -0.027 | -0.031 | 44.148 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 481 | SER | 0 | -0.016 | -0.005 | 46.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 482 | LEU | 0 | 0.111 | 0.049 | 48.870 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 483 | PRO | 0 | 0.015 | 0.012 | 47.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 484 | GLU | -1 | -0.829 | -0.907 | 43.439 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 485 | ALA | 0 | 0.010 | 0.009 | 46.899 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 486 | THR | 0 | 0.038 | -0.004 | 49.628 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 487 | LEU | 0 | -0.024 | 0.003 | 45.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 488 | LEU | 0 | -0.008 | -0.014 | 44.903 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 489 | ALA | 0 | -0.003 | -0.009 | 47.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 490 | ALA | 0 | 0.025 | 0.001 | 50.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 491 | ALA | 0 | -0.034 | -0.010 | 46.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 492 | LEU | 0 | -0.040 | -0.030 | 46.612 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 493 | ILE | 0 | -0.030 | 0.007 | 49.443 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 494 | HIS | 0 | -0.008 | 0.005 | 49.956 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 495 | PRO | 0 | -0.019 | 0.012 | 49.067 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 496 | LEU | 0 | -0.030 | -0.003 | 42.937 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 497 | SER | 0 | 0.016 | 0.007 | 44.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 498 | PRO | 0 | -0.037 | -0.021 | 44.835 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 499 | ALA | 0 | -0.017 | -0.015 | 40.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 500 | ALA | 0 | 0.044 | 0.034 | 37.164 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 501 | GLN | 0 | -0.045 | -0.030 | 36.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 502 | GLN | 0 | -0.026 | -0.007 | 28.379 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 503 | HIS | 0 | -0.030 | -0.023 | 32.753 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 504 | THR | 0 | 0.005 | 0.010 | 28.708 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 505 | PRO | 0 | 0.012 | 0.008 | 27.681 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 506 | SER | 0 | 0.087 | 0.035 | 24.825 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 507 | LEU | 0 | -0.088 | -0.037 | 21.272 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 508 | LEU | 0 | -0.035 | -0.035 | 22.158 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 509 | GLU | -1 | -0.890 | -0.910 | 23.208 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 510 | ASN | 0 | -0.032 | -0.024 | 18.429 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 511 | VAL | 0 | 0.015 | 0.011 | 16.502 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 512 | ALA | 0 | -0.007 | 0.027 | 14.382 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 513 | VAL | 0 | 0.018 | 0.009 | 13.350 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 514 | ILE | 0 | 0.017 | 0.004 | 12.928 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 515 | ASN | 0 | -0.061 | -0.050 | 12.559 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 516 | ILE | 0 | 0.010 | 0.007 | 14.260 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 517 | GLY | 0 | 0.020 | 0.002 | 16.449 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 518 | LEU | 0 | 0.013 | -0.002 | 15.950 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 519 | ARG | 1 | 0.943 | 0.969 | 6.525 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 520 | SER | 0 | 0.006 | -0.001 | 11.065 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 521 | PHE | 0 | 0.075 | 0.040 | 12.081 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 522 | ALA | 0 | 0.055 | 0.023 | 9.227 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 523 | LEU | 0 | -0.074 | -0.045 | 6.761 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 524 | GLH | 0 | -0.032 | -0.037 | 8.193 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 525 | LEU | 0 | 0.032 | 0.020 | 10.037 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 526 | GLN | 0 | -0.022 | -0.018 | 2.244 | -7.765 | -6.757 | 2.078 | -1.551 | -1.535 | -0.024 |
427 | A | 527 | SER | 0 | -0.019 | -0.002 | 6.583 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 528 | ALA | 0 | -0.030 | 0.001 | 8.633 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 529 | SER | 0 | -0.047 | -0.028 | 7.621 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 530 | LYS | 1 | 0.965 | 0.986 | 8.688 | 0.681 | 0.681 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 531 | PRO | 0 | -0.014 | 0.005 | 9.156 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 532 | VAL | 0 | 0.017 | 0.007 | 8.401 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 533 | VAL | 0 | -0.039 | 0.003 | 8.363 | -0.557 | -0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 534 | HIS | 0 | -0.017 | -0.020 | 9.198 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 535 | TYR | 0 | 0.008 | -0.010 | 10.842 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 536 | GLN | 0 | -0.045 | -0.027 | 11.419 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 537 | TRP | 0 | 0.091 | 0.035 | 14.568 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 538 | SER | 0 | -0.030 | -0.028 | 18.341 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 539 | PRO | 0 | 0.038 | 0.047 | 21.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 540 | VAL | 0 | -0.042 | -0.014 | 23.934 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 541 | ALA | 0 | 0.014 | 0.001 | 23.597 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 542 | GLY | 0 | 0.053 | 0.014 | 21.830 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 543 | GLY | 0 | -0.009 | -0.006 | 22.601 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 544 | ASN | 0 | -0.011 | 0.004 | 25.169 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 545 | LYS | 1 | 1.016 | 0.985 | 23.334 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 546 | LYS | 1 | 0.946 | 0.984 | 26.006 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 547 | LEU | 0 | 0.045 | 0.026 | 28.288 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 548 | ALA | 0 | 0.053 | 0.036 | 22.991 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 549 | ARG | 1 | 0.996 | 0.988 | 23.873 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 550 | LEU | 0 | -0.074 | -0.037 | 25.883 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 551 | LEU | 0 | 0.023 | -0.004 | 25.634 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 552 | GLU | -1 | -0.920 | -0.954 | 21.475 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 553 | ARG | 1 | 0.894 | 0.946 | 24.477 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 554 | LEU | 0 | -0.063 | -0.035 | 27.351 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 555 | GLN | 0 | -0.006 | 0.027 | 24.193 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |