FMODB ID: LJ2Q9
Calculation Name: 4U6U-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4U6U
Chain ID: B
UniProt ID: Q6CLE2
Base Structure: X-ray
Registration Date: 2023-06-20
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 | OptHSide |
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 | 282 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3414307.634559 |
---|---|
FMO2-HF: Nuclear repulsion | 3302304.81532 |
FMO2-HF: Total energy | -112002.81924 |
FMO2-MP2: Total energy | -112326.276794 |
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(B:105:GLN)
Summations of interaction energy for
fragment #1(B:105:GLN)
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. |
-0.535 | 3.386 | 6.898 | -2.763 | -8.056 | 0.02 |
Interaction energy analysis for fragmet #1(B:105:GLN)
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 | B | 107 | ILE | 0 | -0.032 | -0.037 | 2.204 | 0.257 | 2.466 | 2.111 | -1.340 | -2.980 | 0.009 |
4 | B | 108 | LEU | 0 | -0.010 | -0.003 | 2.200 | -2.532 | -0.998 | 4.780 | -1.453 | -4.861 | 0.011 |
5 | B | 109 | GLU | -1 | -0.833 | -0.900 | 3.693 | -0.753 | -0.575 | 0.007 | 0.030 | -0.215 | 0.000 |
6 | B | 110 | PRO | 0 | -0.033 | -0.010 | 6.047 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 111 | PHE | 0 | 0.009 | 0.011 | 6.610 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 112 | GLU | -1 | -0.876 | -0.956 | 6.422 | 1.437 | 1.437 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 113 | ARG | 1 | 0.894 | 0.942 | 9.387 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 114 | ALA | 0 | 0.011 | -0.007 | 11.474 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 115 | LEU | 0 | 0.061 | 0.033 | 11.846 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 116 | LYS | 1 | 0.945 | 0.983 | 13.738 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 117 | LEU | 0 | 0.016 | -0.011 | 15.647 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 118 | GLN | 0 | 0.029 | 0.030 | 17.115 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 119 | THR | 0 | -0.037 | -0.006 | 17.914 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 120 | VAL | 0 | -0.030 | -0.019 | 19.703 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 121 | SER | 0 | 0.021 | 0.017 | 21.499 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 122 | SER | 0 | -0.038 | -0.026 | 22.590 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 123 | LYS | 1 | 0.986 | 0.985 | 22.493 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 124 | ILE | 0 | 0.013 | 0.018 | 25.303 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 125 | HIS | 0 | 0.060 | 0.027 | 27.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 126 | GLN | 0 | -0.003 | 0.005 | 27.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 127 | THR | 0 | -0.010 | -0.013 | 29.740 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 128 | THR | 0 | -0.011 | -0.013 | 31.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 129 | THR | 0 | -0.040 | -0.021 | 32.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 130 | LEU | 0 | 0.008 | 0.017 | 34.818 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 131 | LEU | 0 | 0.040 | 0.020 | 36.221 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 132 | ARG | 1 | 0.953 | 0.966 | 35.207 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 133 | SER | 0 | 0.006 | 0.015 | 39.264 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 134 | SER | 0 | 0.017 | -0.006 | 40.369 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 135 | LEU | 0 | -0.039 | -0.002 | 42.152 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 136 | ILE | 0 | 0.034 | 0.000 | 42.639 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 137 | TYR | 0 | -0.032 | -0.048 | 45.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 138 | VAL | 0 | 0.064 | 0.027 | 46.683 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 139 | HIS | 0 | -0.006 | 0.009 | 47.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 140 | MET | 0 | -0.049 | -0.014 | 48.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 141 | ILE | 0 | 0.034 | 0.011 | 50.974 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 142 | SER | 0 | -0.061 | -0.037 | 52.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 143 | GLN | 0 | -0.030 | -0.027 | 54.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 144 | LEU | 0 | -0.023 | -0.016 | 55.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 145 | GLN | 0 | -0.031 | -0.018 | 56.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 146 | MET | 0 | -0.045 | -0.002 | 58.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 147 | MET | 0 | -0.083 | -0.037 | 58.852 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 148 | PRO | 0 | 0.018 | 0.030 | 62.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 149 | LEU | 0 | -0.007 | -0.033 | 65.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 150 | GLU | -1 | -0.895 | -0.942 | 68.231 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 151 | THR | 0 | -0.045 | -0.027 | 69.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 152 | ASP | -1 | -0.853 | -0.911 | 72.417 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 153 | SER | 0 | 0.063 | 0.043 | 74.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 154 | THR | 0 | -0.034 | -0.027 | 75.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 155 | ASP | -1 | -0.836 | -0.932 | 75.423 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 156 | ASP | -1 | -0.883 | -0.946 | 75.246 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 157 | ALA | 0 | -0.046 | -0.006 | 72.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 158 | ALA | 0 | 0.042 | 0.023 | 71.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 159 | LEU | 0 | -0.054 | -0.019 | 69.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 160 | ALA | 0 | 0.006 | -0.006 | 68.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 161 | CYS | 0 | -0.054 | -0.018 | 66.367 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 162 | GLY | 0 | 0.099 | 0.045 | 65.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 163 | LEU | 0 | -0.012 | -0.019 | 64.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 164 | LYS | 1 | 0.939 | 0.985 | 61.520 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 165 | ILE | 0 | 0.046 | 0.024 | 60.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 166 | ALA | 0 | -0.016 | -0.008 | 59.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 167 | ALA | 0 | 0.020 | 0.006 | 58.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 168 | LEU | 0 | 0.024 | 0.007 | 54.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 169 | HIS | 0 | 0.016 | -0.001 | 54.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 170 | SER | 0 | -0.005 | 0.007 | 54.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 171 | GLN | 0 | 0.012 | 0.006 | 51.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 172 | LEU | 0 | -0.010 | 0.004 | 49.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 173 | LYS | 1 | 0.847 | 0.912 | 49.167 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 174 | ILE | 0 | 0.014 | 0.016 | 47.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 175 | ASN | 0 | -0.026 | -0.019 | 44.384 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 176 | ILE | 0 | -0.031 | -0.020 | 44.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 177 | ALA | 0 | -0.028 | -0.002 | 44.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 178 | ALA | 0 | -0.023 | -0.004 | 42.275 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 179 | ASN | 0 | -0.026 | -0.024 | 36.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 180 | PRO | 0 | 0.108 | 0.065 | 38.835 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 181 | ASN | 0 | -0.064 | -0.047 | 35.492 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 182 | LEU | 0 | -0.019 | -0.011 | 38.792 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 183 | ALA | 0 | 0.023 | 0.019 | 41.648 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 184 | THR | 0 | -0.051 | -0.025 | 39.646 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 185 | LEU | 0 | 0.070 | 0.042 | 38.731 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 186 | GLN | 0 | 0.033 | 0.002 | 42.579 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 187 | LEU | 0 | -0.002 | -0.009 | 44.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 188 | ILE | 0 | 0.003 | 0.012 | 43.504 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 189 | LYS | 1 | 0.939 | 0.956 | 45.317 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 190 | SER | 0 | -0.023 | -0.012 | 48.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 191 | CYS | 0 | 0.063 | 0.053 | 49.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 192 | GLU | -1 | -0.876 | -0.913 | 50.110 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 193 | ASN | 0 | -0.061 | -0.054 | 52.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 194 | ASN | 0 | -0.005 | -0.004 | 54.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 195 | VAL | 0 | -0.005 | 0.010 | 55.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 196 | VAL | 0 | 0.006 | -0.002 | 53.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 197 | SER | 0 | 0.025 | 0.009 | 55.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 198 | PRO | 0 | -0.016 | 0.000 | 57.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 199 | ASN | 0 | 0.080 | 0.047 | 59.064 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 200 | ARG | 1 | 0.883 | 0.952 | 57.143 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 201 | GLN | 0 | -0.002 | -0.012 | 60.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 202 | GLU | -1 | -0.944 | -0.980 | 63.282 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 203 | LEU | 0 | 0.023 | 0.018 | 62.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 204 | LEU | 0 | 0.022 | -0.003 | 61.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 205 | ARG | 1 | 0.908 | 0.990 | 65.574 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 206 | TYR | 0 | 0.036 | 0.026 | 68.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 207 | LEU | 0 | 0.003 | 0.005 | 64.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 208 | SER | 0 | 0.006 | -0.009 | 69.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 209 | THR | 0 | -0.020 | -0.015 | 70.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 210 | ASN | 0 | 0.012 | -0.006 | 72.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 211 | LEU | 0 | -0.020 | 0.006 | 70.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 212 | THR | 0 | -0.006 | -0.034 | 73.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 213 | ARG | 1 | 0.807 | 0.886 | 75.602 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 214 | ASP | -1 | -0.825 | -0.900 | 76.448 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 215 | CYS | 0 | -0.028 | -0.013 | 76.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 216 | LEU | 0 | -0.064 | -0.036 | 79.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 217 | ASN | 0 | 0.021 | 0.010 | 81.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 218 | ASN | 0 | 0.093 | 0.056 | 83.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 219 | LEU | 0 | 0.007 | 0.016 | 84.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 220 | LYS | 1 | 0.840 | 0.913 | 80.119 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 221 | MET | 0 | -0.010 | 0.004 | 77.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 222 | GLU | -1 | -0.816 | -0.888 | 80.652 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 223 | ASN | 0 | -0.039 | -0.031 | 82.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 224 | ASN | 0 | -0.045 | -0.039 | 77.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 225 | PRO | 0 | 0.083 | 0.046 | 77.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 226 | LYS | 1 | 0.958 | 0.967 | 74.144 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 227 | ARG | 1 | 0.840 | 0.921 | 72.911 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 228 | ILE | 0 | 0.062 | 0.029 | 72.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 229 | VAL | 0 | 0.004 | 0.004 | 69.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 230 | THR | 0 | -0.050 | -0.023 | 67.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 231 | LEU | 0 | 0.005 | 0.000 | 67.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 232 | ILE | 0 | 0.002 | 0.005 | 67.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 233 | LYS | 1 | 0.950 | 0.974 | 64.529 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 234 | ALA | 0 | 0.000 | 0.015 | 63.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 235 | LEU | 0 | 0.006 | 0.001 | 62.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 236 | TYR | 0 | -0.011 | -0.015 | 59.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 237 | THR | 0 | -0.039 | -0.030 | 58.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 238 | LEU | 0 | -0.045 | -0.003 | 58.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 239 | SER | 0 | -0.025 | -0.057 | 58.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 240 | PRO | 0 | 0.059 | 0.051 | 59.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 241 | VAL | 0 | 0.010 | 0.003 | 61.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 242 | ASP | -1 | -0.791 | -0.876 | 63.021 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 243 | LEU | 0 | -0.008 | 0.023 | 65.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 244 | PHE | 0 | 0.015 | -0.003 | 63.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 245 | ASP | -1 | -0.809 | -0.887 | 67.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 246 | THR | 0 | -0.053 | -0.032 | 69.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 247 | ILE | 0 | -0.002 | -0.020 | 70.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 248 | ASP | -1 | -0.795 | -0.832 | 70.247 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 249 | LYS | 1 | 0.819 | 0.891 | 70.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 250 | VAL | 0 | 0.007 | 0.006 | 75.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 251 | LEU | 0 | 0.017 | 0.009 | 76.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 252 | SER | 0 | 0.012 | -0.018 | 77.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 253 | SER | 0 | -0.046 | -0.012 | 79.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 254 | LYS | 1 | 0.886 | 0.942 | 80.626 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 255 | ILE | 0 | -0.015 | 0.006 | 80.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 256 | GLN | 0 | -0.002 | 0.000 | 83.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 257 | THR | 0 | 0.003 | -0.002 | 85.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 258 | THR | 0 | 0.044 | 0.030 | 87.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 259 | ALA | 0 | 0.004 | 0.001 | 87.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 260 | GLN | 0 | -0.021 | -0.002 | 89.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 261 | VAL | 0 | -0.021 | -0.013 | 91.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 262 | LEU | 0 | 0.017 | 0.015 | 91.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 263 | SER | 0 | 0.003 | -0.039 | 93.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 264 | LYS | 1 | 0.866 | 0.941 | 93.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 265 | THR | 0 | 0.011 | 0.001 | 97.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 266 | ILE | 0 | 0.008 | 0.027 | 96.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 267 | THR | 0 | -0.079 | -0.047 | 100.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 268 | SER | 0 | -0.056 | -0.044 | 103.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 269 | ILE | 0 | 0.068 | 0.044 | 101.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 270 | ARG | 1 | 0.910 | 0.947 | 103.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 271 | ASN | 0 | 0.000 | 0.008 | 102.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 272 | PHE | 0 | 0.025 | 0.013 | 96.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 273 | ASN | 0 | 0.059 | 0.016 | 98.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 274 | LEU | 0 | 0.021 | 0.022 | 98.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 275 | SER | 0 | 0.022 | 0.027 | 95.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 276 | LEU | 0 | -0.058 | -0.027 | 93.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 277 | ASP | -1 | -0.820 | -0.904 | 94.128 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 278 | ASP | -1 | -0.900 | -0.951 | 92.635 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 279 | ALA | 0 | -0.089 | -0.062 | 90.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 280 | MET | 0 | 0.055 | 0.015 | 88.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 281 | GLU | -1 | -0.912 | -0.934 | 88.725 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 282 | ASN | 0 | -0.040 | -0.035 | 85.575 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 283 | ARG | 1 | 0.809 | 0.887 | 84.442 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 284 | ASN | 0 | 0.035 | 0.008 | 84.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 285 | SER | 0 | -0.024 | -0.001 | 82.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 286 | ILE | 0 | -0.050 | -0.033 | 79.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 287 | LEU | 0 | -0.030 | 0.000 | 79.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 288 | THR | 0 | -0.001 | -0.027 | 79.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 289 | LEU | 0 | 0.006 | 0.006 | 75.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 290 | GLN | 0 | 0.065 | -0.008 | 74.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 291 | ASN | 0 | 0.039 | 0.016 | 74.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 292 | LEU | 0 | -0.088 | -0.016 | 73.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 293 | MET | 0 | 0.057 | 0.018 | 69.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 294 | ALA | 0 | -0.030 | -0.006 | 69.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 295 | ALA | 0 | 0.000 | 0.013 | 69.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 296 | CYS | 0 | -0.111 | -0.047 | 66.642 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 297 | ALA | 0 | 0.032 | 0.010 | 63.589 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 298 | ILE | 0 | -0.015 | -0.014 | 59.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 299 | GLU | -1 | -0.919 | -0.950 | 52.869 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 300 | GLY | 0 | 0.025 | 0.039 | 57.008 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 301 | ASN | 0 | -0.039 | -0.038 | 57.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 302 | THR | 0 | -0.055 | -0.040 | 60.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 303 | ASN | 0 | 0.048 | 0.024 | 63.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 304 | THR | 0 | 0.015 | -0.006 | 64.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 305 | LEU | 0 | 0.009 | 0.024 | 66.522 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 306 | ARG | 1 | 0.967 | 0.972 | 64.515 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 307 | ASN | 0 | 0.026 | 0.010 | 61.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 308 | TYR | 0 | -0.018 | -0.031 | 65.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 309 | LEU | 0 | -0.044 | -0.040 | 67.727 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 310 | SER | 0 | -0.057 | -0.003 | 64.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 311 | GLN | 0 | -0.042 | -0.015 | 61.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 312 | ARG | 1 | 0.785 | 0.864 | 65.865 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 313 | LYS | 1 | 0.957 | 0.970 | 69.569 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 314 | PHE | 0 | -0.035 | -0.021 | 72.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 315 | SER | 0 | 0.044 | 0.033 | 72.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 316 | SER | 0 | 0.037 | 0.013 | 74.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 317 | LEU | 0 | 0.022 | -0.001 | 73.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 318 | ILE | 0 | 0.023 | 0.022 | 77.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 319 | ASP | -1 | -0.827 | -0.878 | 78.587 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 320 | GLN | 0 | -0.008 | -0.017 | 76.493 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 321 | PHE | 0 | 0.006 | -0.005 | 79.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 322 | TRP | 0 | 0.089 | 0.028 | 81.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 323 | SER | 0 | 0.009 | 0.031 | 81.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 324 | LYS | 1 | 0.908 | 0.951 | 78.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 325 | VAL | 0 | -0.013 | 0.002 | 83.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 326 | THR | 0 | 0.006 | -0.010 | 86.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 327 | ASN | 0 | -0.007 | 0.005 | 83.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 328 | SER | 0 | -0.082 | -0.032 | 87.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 329 | PHE | 0 | 0.073 | 0.036 | 88.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 330 | LYS | 1 | 0.869 | 0.927 | 90.298 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 331 | ARG | 1 | 0.791 | 0.887 | 88.973 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 332 | ASP | -1 | -0.803 | -0.876 | 92.341 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 333 | PHE | 0 | 0.027 | 0.008 | 94.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 334 | GLU | -1 | -0.761 | -0.868 | 94.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 335 | MET | 0 | -0.051 | -0.014 | 95.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 336 | SER | 0 | -0.050 | -0.044 | 97.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 337 | TYR | 0 | -0.010 | -0.017 | 100.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 338 | ASN | 0 | -0.038 | -0.024 | 98.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 339 | ARG | 1 | 0.905 | 0.987 | 99.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 340 | GLY | 0 | 0.057 | 0.030 | 103.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 341 | GLY | 0 | -0.049 | -0.040 | 106.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 342 | PRO | 0 | 0.051 | 0.004 | 107.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 343 | VAL | 0 | 0.036 | 0.025 | 103.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 344 | GLY | 0 | 0.080 | 0.062 | 104.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 345 | LYS | 1 | 0.928 | 0.958 | 105.239 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 346 | SER | 0 | -0.111 | -0.045 | 106.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 347 | LEU | 0 | 0.020 | -0.004 | 100.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 348 | GLN | 0 | 0.051 | 0.048 | 105.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 349 | SER | 0 | -0.045 | -0.035 | 106.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 350 | ASN | 0 | -0.055 | -0.029 | 106.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 351 | SER | 0 | 0.052 | 0.025 | 104.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 352 | ASN | 0 | 0.037 | 0.012 | 104.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 353 | LEU | 0 | 0.037 | 0.029 | 105.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 354 | ILE | 0 | 0.006 | 0.010 | 100.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 355 | TYR | 0 | 0.021 | -0.012 | 98.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 356 | GLU | -1 | -0.892 | -0.931 | 101.254 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 357 | ALA | 0 | -0.040 | -0.039 | 101.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 358 | ILE | 0 | -0.005 | -0.012 | 95.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 359 | SER | 0 | 0.032 | 0.018 | 97.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 360 | LYS | 1 | 0.810 | 0.886 | 98.527 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 361 | CYS | 0 | -0.040 | -0.006 | 95.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 362 | PHE | 0 | -0.017 | -0.011 | 90.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 363 | GLY | 0 | -0.004 | 0.005 | 93.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 364 | GLU | -1 | -0.958 | -0.974 | 95.666 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 365 | ASN | 0 | -0.045 | -0.060 | 93.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 366 | ASP | -1 | -0.911 | -0.951 | 91.912 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 367 | PRO | 0 | -0.025 | 0.005 | 91.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 368 | SER | 0 | 0.002 | 0.001 | 91.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 369 | ASN | 0 | -0.011 | -0.021 | 91.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 370 | GLU | -1 | -0.888 | -0.938 | 84.516 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 371 | LEU | 0 | -0.055 | -0.012 | 87.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 372 | GLN | 0 | 0.031 | 0.000 | 88.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 373 | GLY | 0 | 0.037 | 0.027 | 86.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 374 | GLU | -1 | -0.877 | -0.948 | 84.261 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 375 | LEU | 0 | 0.000 | 0.022 | 87.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 376 | GLN | 0 | -0.025 | -0.019 | 88.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 377 | TYR | 0 | -0.129 | -0.083 | 82.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 378 | ILE | 0 | 0.045 | 0.021 | 89.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 379 | LEU | 0 | 0.030 | 0.017 | 92.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 380 | LYS | 1 | 0.944 | 0.980 | 87.266 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 381 | ALA | 0 | -0.045 | -0.006 | 91.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 382 | VAL | 0 | -0.007 | 0.005 | 93.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 383 | SER | 0 | 0.026 | -0.008 | 94.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 384 | ILE | 0 | -0.034 | -0.007 | 97.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 385 | LEU | 0 | -0.078 | -0.030 | 99.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 386 | ASP | -1 | -0.945 | -0.952 | 101.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |