![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: LN1G9
Calculation Name: 2GUW-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2GUW
Chain ID: A
UniProt ID: Q8ZNS0
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 416 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7091216.247143 |
---|---|
FMO2-HF: Nuclear repulsion | 6929586.078708 |
FMO2-HF: Total energy | -161630.168435 |
FMO2-MP2: Total energy | -162106.951118 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F038337/ligand_interaction/ligand_F038337.png)
Ligand Interaction
![ligand interaction](./Kdata/F038337/ligand_interaction/ligand_interaction_F038337.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:8:LEU)
Summations of interaction energy for
fragment #1(A:8:LEU)
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. |
-12.13 | -11.974 | 22.088 | -7.902 | -14.343 | -0.058 |
Interaction energy analysis for fragmet #1(A:8:LEU)
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 | 10 | PRO | 0 | 0.057 | 0.007 | 3.690 | -3.944 | -1.085 | -0.009 | -1.574 | -1.277 | 0.003 |
4 | A | 11 | GLU | -1 | -0.905 | -0.936 | 7.119 | -1.228 | -1.228 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 12 | GLN | 0 | -0.010 | 0.027 | 2.926 | -0.418 | 0.505 | 0.064 | -0.265 | -0.721 | -0.001 |
6 | A | 13 | ALA | 0 | 0.030 | 0.015 | 3.637 | -0.285 | -0.018 | 0.003 | -0.068 | -0.201 | 0.000 |
7 | A | 14 | LEU | 0 | -0.007 | -0.043 | 5.305 | 0.850 | 0.914 | -0.001 | -0.002 | -0.061 | 0.000 |
8 | A | 15 | ASP | -1 | -0.832 | -0.923 | 8.206 | -1.165 | -1.165 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 16 | ARG | 1 | 0.838 | 0.909 | 5.910 | 1.584 | 1.584 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 17 | LEU | 0 | -0.059 | -0.011 | 8.536 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 18 | GLU | -1 | -0.849 | -0.936 | 10.565 | -0.631 | -0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 19 | GLU | -1 | -0.795 | -0.876 | 11.077 | -0.820 | -0.820 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 20 | LEU | 0 | -0.003 | -0.027 | 9.927 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 21 | TYR | 0 | -0.014 | -0.010 | 13.496 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 22 | GLU | -1 | -0.942 | -0.968 | 15.793 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 23 | GLN | 0 | -0.031 | 0.010 | 15.807 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 24 | SER | 0 | -0.009 | -0.006 | 17.072 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 25 | VAL | 0 | -0.047 | -0.019 | 19.253 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 26 | ASN | 0 | -0.063 | -0.059 | 21.249 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 27 | ALA | 0 | 0.056 | 0.060 | 21.536 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 28 | LEU | 0 | -0.035 | -0.029 | 23.402 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 29 | ARG | 1 | 0.897 | 0.952 | 24.222 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 30 | GLU | -1 | -0.857 | -0.936 | 26.313 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 31 | ALA | 0 | -0.018 | 0.004 | 27.314 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 32 | ILE | 0 | -0.024 | -0.023 | 28.784 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 33 | ALA | 0 | -0.018 | -0.002 | 31.239 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 34 | ASP | -1 | -0.902 | -0.961 | 30.979 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 35 | TYR | 0 | -0.086 | -0.054 | 33.701 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 36 | VAL | 0 | -0.036 | -0.031 | 35.217 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 37 | ASP | -1 | -0.966 | -0.967 | 37.587 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 38 | ASN | 0 | -0.036 | 0.018 | 37.327 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 39 | GLY | 0 | -0.015 | 0.008 | 37.925 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 40 | THR | 0 | -0.037 | -0.054 | 32.828 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 41 | LEU | 0 | -0.077 | -0.040 | 33.400 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 42 | PRO | 0 | 0.015 | 0.010 | 27.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 43 | ASP | -1 | -0.821 | -0.927 | 26.942 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 44 | PRO | 0 | -0.009 | -0.014 | 26.625 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 45 | HIS | 0 | -0.007 | 0.005 | 23.957 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 46 | ALA | 0 | 0.033 | 0.006 | 22.617 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 47 | ARG | 1 | 0.774 | 0.871 | 21.629 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 48 | LEU | 0 | -0.059 | -0.021 | 21.923 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 49 | ASN | 0 | -0.036 | -0.022 | 17.920 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 50 | GLY | 0 | -0.008 | -0.006 | 17.615 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 51 | LEU | 0 | -0.066 | -0.001 | 18.314 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 52 | PHE | 0 | -0.007 | -0.029 | 19.977 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 53 | VAL | 0 | -0.040 | 0.005 | 15.870 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 54 | TYR | 0 | -0.068 | -0.104 | 16.583 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 55 | PRO | 0 | 0.040 | 0.083 | 11.609 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 56 | SER | 0 | -0.011 | -0.013 | 11.122 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 57 | LEU | 0 | 0.094 | 0.042 | 7.474 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 58 | SER | 0 | 0.000 | -0.011 | 7.571 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 59 | VAL | 0 | 0.034 | 0.027 | 6.745 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 84 | THR | 0 | -0.031 | 0.002 | 11.458 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 85 | THR | 0 | -0.047 | -0.045 | 12.592 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 86 | THR | 0 | -0.059 | -0.007 | 13.441 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 87 | VAL | 0 | 0.041 | 0.012 | 12.526 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 88 | THR | 0 | 0.003 | -0.018 | 15.165 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 89 | ARG | 1 | 0.926 | 0.975 | 17.425 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 90 | PRO | 0 | 0.029 | 0.027 | 13.443 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 91 | ALA | 0 | 0.095 | 0.034 | 15.299 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 92 | LEU | 0 | -0.064 | -0.023 | 17.196 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 93 | PHE | 0 | -0.046 | -0.028 | 16.726 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 94 | ARG | 1 | 0.954 | 0.991 | 12.032 | 0.892 | 0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 95 | ALA | 0 | 0.037 | 0.006 | 14.662 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 96 | TYR | 0 | 0.033 | 0.009 | 15.843 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 97 | LEU | 0 | -0.023 | -0.019 | 11.792 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 98 | LEU | 0 | 0.003 | 0.002 | 10.446 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 99 | GLU | -1 | -0.948 | -0.970 | 12.255 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 100 | GLN | 0 | -0.022 | -0.025 | 13.348 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 101 | LEU | 0 | -0.040 | 0.018 | 6.272 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 102 | ASN | 0 | 0.049 | -0.015 | 9.040 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 103 | LEU | 0 | -0.096 | -0.016 | 10.065 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 104 | VAL | 0 | 0.052 | 0.036 | 9.461 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 105 | TYR | 0 | -0.049 | -0.034 | 3.613 | -0.153 | 0.380 | 0.011 | -0.133 | -0.411 | -0.001 |
75 | A | 106 | HIS | 0 | -0.044 | -0.045 | 7.934 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 107 | ASP | -1 | -0.877 | -0.946 | 10.674 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 108 | TYR | 0 | -0.082 | -0.025 | 10.469 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 109 | GLY | 0 | -0.062 | -0.007 | 6.871 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 110 | ALA | 0 | -0.009 | 0.007 | 6.303 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 111 | HIS | 0 | -0.018 | -0.033 | 1.884 | 0.900 | -2.969 | 11.699 | -2.310 | -5.521 | -0.008 |
81 | A | 112 | ILE | 0 | 0.033 | 0.017 | 1.863 | 0.026 | -2.258 | 6.774 | -1.237 | -3.253 | -0.020 |
82 | A | 113 | ALA | 0 | -0.020 | -0.015 | 2.112 | -8.866 | -7.329 | 3.548 | -2.285 | -2.801 | -0.031 |
83 | A | 114 | VAL | 0 | -0.028 | 0.015 | 4.000 | 0.555 | 0.681 | -0.001 | -0.028 | -0.097 | 0.000 |
84 | A | 115 | GLU | -1 | -0.972 | -0.997 | 6.094 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 116 | ALA | 0 | 0.039 | 0.023 | 9.071 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 117 | SER | 0 | -0.052 | -0.079 | 12.858 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 118 | HIS | 0 | -0.025 | -0.024 | 14.937 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 119 | HIS | 0 | 0.002 | -0.008 | 18.041 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 120 | GLU | -1 | -0.684 | -0.841 | 19.443 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 121 | ILE | 0 | -0.006 | 0.002 | 19.025 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 122 | PRO | 0 | -0.069 | -0.027 | 22.602 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 123 | TYR | 0 | 0.114 | 0.030 | 26.312 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 124 | PRO | 0 | -0.075 | -0.043 | 28.106 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 125 | TYR | 0 | -0.009 | -0.014 | 25.289 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 126 | VAL | 0 | 0.054 | 0.043 | 24.102 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 127 | ILE | 0 | -0.101 | -0.031 | 26.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 128 | ASP | -1 | -0.924 | -0.964 | 26.305 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 129 | GLY | 0 | -0.011 | 0.002 | 29.259 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 130 | SER | 0 | -0.069 | -0.037 | 32.769 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 131 | ALA | 0 | 0.058 | 0.016 | 34.451 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 132 | LEU | 0 | -0.032 | -0.002 | 36.267 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 133 | THR | 0 | -0.011 | -0.007 | 38.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 134 | LEU | 0 | 0.040 | 0.021 | 37.717 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 135 | ASP | -1 | -0.842 | -0.926 | 41.910 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 136 | ARG | 1 | 0.949 | 0.942 | 42.905 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 137 | SER | 0 | -0.009 | 0.001 | 43.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 138 | MET | 0 | 0.049 | 0.042 | 40.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 139 | SER | 0 | -0.020 | -0.012 | 38.467 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 140 | ALA | 0 | -0.011 | -0.010 | 38.031 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 141 | GLY | 0 | 0.011 | 0.013 | 38.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 142 | LEU | 0 | 0.038 | 0.013 | 33.681 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 143 | THR | 0 | -0.009 | -0.004 | 33.468 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 144 | ARG | 1 | 0.819 | 0.920 | 34.174 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 145 | HIS | 0 | -0.020 | -0.017 | 33.392 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 146 | PHE | 0 | 0.015 | 0.019 | 28.885 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 147 | PRO | 0 | -0.014 | 0.019 | 25.525 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 148 | THR | 0 | 0.012 | -0.001 | 28.191 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 149 | THR | 0 | -0.025 | -0.030 | 28.550 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 150 | GLU | -1 | -0.864 | -0.939 | 28.365 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 151 | LEU | 0 | -0.069 | -0.030 | 28.954 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 152 | ALA | 0 | -0.014 | 0.005 | 30.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 153 | GLN | 0 | 0.010 | 0.020 | 25.700 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 173 | HIS | 0 | 0.017 | 0.002 | 18.963 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 174 | PHE | 0 | -0.107 | -0.058 | 19.573 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 175 | ASP | -1 | -0.789 | -0.896 | 19.099 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 176 | ALA | 0 | 0.077 | 0.031 | 17.545 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 177 | ARG | 1 | 0.929 | 0.963 | 19.433 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 178 | ARG | 1 | 0.814 | 0.904 | 23.003 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 179 | VAL | 0 | 0.018 | -0.010 | 20.280 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 180 | ASP | -1 | -0.713 | -0.787 | 22.180 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 181 | PHE | 0 | -0.076 | -0.029 | 24.299 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 182 | SER | 0 | -0.030 | -0.045 | 26.697 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 183 | LEU | 0 | 0.015 | 0.028 | 22.536 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 184 | ALA | 0 | -0.015 | 0.003 | 27.186 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 185 | ARG | 1 | 0.899 | 0.940 | 29.668 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 186 | LEU | 0 | 0.044 | 0.025 | 28.403 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 187 | ARG | 1 | 1.013 | 1.056 | 29.976 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 188 | HIS | 0 | -0.042 | -0.013 | 32.809 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 189 | TYR | 0 | -0.046 | -0.052 | 34.685 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 190 | THR | 0 | 0.016 | -0.028 | 34.116 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 191 | GLY | 0 | 0.005 | -0.003 | 36.503 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 192 | THR | 0 | -0.039 | 0.007 | 33.976 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 193 | PRO | 0 | -0.021 | -0.026 | 30.486 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 194 | VAL | 0 | 0.030 | -0.001 | 25.517 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 195 | GLU | -1 | -0.888 | -0.954 | 25.011 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 196 | HIS | 0 | 0.013 | 0.012 | 27.078 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 197 | PHE | 0 | -0.021 | 0.001 | 28.247 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 198 | GLN | 0 | 0.027 | 0.028 | 28.015 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 199 | PRO | 0 | 0.029 | 0.021 | 26.262 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 200 | PHE | 0 | 0.077 | 0.042 | 28.267 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 201 | VAL | 0 | 0.014 | -0.003 | 31.325 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 202 | LEU | 0 | -0.022 | -0.017 | 33.966 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 203 | PHE | 0 | -0.008 | -0.007 | 34.107 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 204 | THR | 0 | 0.011 | 0.003 | 39.428 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 205 | ASN | 0 | 0.026 | 0.002 | 43.132 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 206 | TYR | 0 | -0.023 | -0.047 | 45.940 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 207 | THR | 0 | 0.055 | 0.021 | 47.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 208 | ARG | 1 | 0.933 | 0.989 | 48.330 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 209 | TYR | 0 | 0.016 | -0.073 | 45.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 210 | VAL | 0 | -0.001 | 0.015 | 43.057 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 211 | ASP | -1 | -0.893 | -0.944 | 45.225 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 212 | GLU | -1 | -0.893 | -0.936 | 47.533 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 213 | PHE | 0 | 0.027 | 0.010 | 38.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 214 | VAL | 0 | 0.062 | 0.027 | 42.906 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 215 | ARG | 1 | 0.931 | 0.974 | 44.377 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 216 | TRP | 0 | -0.018 | -0.013 | 39.912 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 217 | GLY | 0 | 0.052 | 0.016 | 41.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 218 | CYS | 0 | -0.044 | -0.011 | 42.026 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 219 | SER | 0 | -0.017 | -0.024 | 44.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 220 | GLN | 0 | -0.025 | -0.011 | 41.287 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 221 | ILE | 0 | -0.044 | 0.003 | 39.302 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 222 | LEU | 0 | -0.083 | -0.033 | 41.623 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 223 | ASP | -1 | -0.893 | -0.946 | 44.080 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 224 | PRO | 0 | -0.052 | -0.020 | 41.777 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 225 | ASP | -1 | -0.949 | -0.968 | 40.810 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 226 | SER | 0 | -0.035 | -0.007 | 39.777 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 227 | PRO | 0 | -0.027 | -0.022 | 34.692 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 228 | TYR | 0 | -0.059 | -0.045 | 35.231 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 229 | ILE | 0 | 0.020 | 0.014 | 32.049 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 230 | ALA | 0 | 0.013 | 0.000 | 35.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 231 | LEU | 0 | -0.023 | -0.011 | 36.624 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 232 | SER | 0 | -0.041 | 0.003 | 34.045 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 233 | CYS | 0 | 0.035 | 0.015 | 36.629 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 234 | ALA | 0 | -0.006 | -0.003 | 38.588 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 235 | GLY | 0 | -0.034 | -0.012 | 39.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 236 | GLY | 0 | -0.063 | -0.039 | 37.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 237 | ILE | 0 | -0.032 | -0.007 | 38.041 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 238 | TRP | 0 | -0.004 | -0.015 | 32.662 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 239 | ILE | 0 | 0.025 | 0.019 | 38.258 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 240 | THR | 0 | -0.015 | -0.053 | 38.213 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 241 | ALA | 0 | 0.051 | 0.017 | 40.860 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 242 | GLU | -1 | -0.946 | -0.976 | 43.538 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 243 | THR | 0 | -0.076 | -0.031 | 42.961 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 244 | GLU | -1 | -0.942 | -0.940 | 40.959 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 245 | ALA | 0 | 0.026 | 0.015 | 45.100 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 246 | PRO | 0 | -0.024 | -0.028 | 46.193 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 247 | GLU | -1 | -0.922 | -0.966 | 47.724 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 248 | GLU | -1 | -0.967 | -0.992 | 47.835 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 249 | ALA | 0 | 0.033 | 0.023 | 44.005 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 250 | ILE | 0 | -0.082 | -0.026 | 44.634 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 251 | SER | 0 | 0.091 | 0.055 | 45.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 252 | ASP | -1 | -0.870 | -0.940 | 47.526 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 253 | LEU | 0 | -0.121 | -0.092 | 46.615 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 254 | ALA | 0 | -0.006 | 0.004 | 43.328 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 255 | TRP | 0 | 0.063 | 0.021 | 44.188 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 256 | LYS | 1 | 0.905 | 0.964 | 46.387 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 257 | LYS | 1 | 0.848 | 0.927 | 39.564 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 258 | HIS | 0 | 0.034 | 0.037 | 39.316 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 259 | GLN | 0 | -0.034 | -0.023 | 40.980 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 260 | MET | 0 | -0.048 | -0.006 | 38.352 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 261 | PRO | 0 | -0.035 | 0.018 | 38.519 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 262 | ALA | 0 | 0.015 | 0.000 | 35.874 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 263 | TRP | 0 | 0.022 | -0.008 | 37.567 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 264 | HIS | 0 | -0.006 | -0.013 | 32.967 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 265 | LEU | 0 | -0.004 | 0.026 | 35.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 266 | VAL | 0 | 0.007 | -0.008 | 30.772 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 267 | THR | 0 | 0.043 | 0.012 | 30.292 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 268 | ALA | 0 | 0.000 | -0.004 | 29.900 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 269 | ASP | -1 | -0.867 | -0.926 | 26.662 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 270 | GLY | 0 | 0.010 | 0.018 | 26.058 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 271 | GLN | 0 | -0.085 | -0.050 | 25.458 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 272 | GLY | 0 | 0.071 | 0.028 | 29.314 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 273 | ILE | 0 | -0.049 | -0.029 | 32.477 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 274 | THR | 0 | -0.051 | 0.009 | 31.730 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 275 | LEU | 0 | 0.018 | 0.011 | 34.681 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 276 | VAL | 0 | 0.030 | -0.008 | 35.149 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 277 | ASN | 0 | -0.013 | -0.001 | 38.335 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 278 | ILE | 0 | -0.017 | -0.028 | 38.437 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 279 | GLY | 0 | -0.008 | 0.011 | 41.090 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 280 | VAL | 0 | -0.027 | -0.036 | 44.557 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 281 | GLY | 0 | -0.026 | -0.009 | 45.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 282 | PRO | 0 | 0.047 | 0.031 | 42.762 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 283 | SER | 0 | -0.016 | -0.014 | 41.158 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 284 | ASN | 0 | 0.024 | 0.003 | 39.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 285 | ALA | 0 | 0.090 | 0.053 | 39.029 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 286 | LYS | 1 | 0.869 | 0.916 | 34.984 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 287 | THR | 0 | -0.064 | -0.039 | 35.281 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 288 | ILE | 0 | 0.033 | 0.011 | 34.250 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 289 | CYS | 0 | -0.020 | 0.004 | 32.516 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 290 | ASP | -1 | -0.834 | -0.901 | 30.654 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 291 | HIS | 0 | 0.004 | 0.012 | 29.076 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 292 | LEU | 0 | 0.059 | 0.023 | 27.957 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 293 | ALA | 0 | 0.024 | 0.026 | 26.876 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 294 | VAL | 0 | -0.030 | -0.021 | 23.342 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 295 | LEU | 0 | -0.038 | -0.017 | 22.485 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 296 | ARG | 1 | 0.845 | 0.928 | 19.845 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 297 | PRO | 0 | 0.016 | 0.017 | 23.983 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 298 | ASP | -1 | -0.839 | -0.909 | 25.597 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 299 | VAL | 0 | -0.080 | -0.055 | 27.700 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 300 | TRP | 0 | -0.017 | 0.012 | 30.228 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 301 | LEU | 0 | -0.020 | -0.013 | 33.887 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 302 | MET | 0 | -0.034 | -0.009 | 37.554 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 303 | ILE | 0 | 0.009 | 0.010 | 40.536 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 304 | GLY | 0 | 0.056 | 0.010 | 43.318 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 305 | HIS | 0 | -0.092 | -0.020 | 46.206 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 306 | CYS | 0 | -0.043 | -0.022 | 49.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 307 | GLY | 0 | 0.047 | 0.034 | 51.353 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 308 | GLY | 0 | 0.017 | -0.009 | 54.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 309 | LEU | 0 | -0.001 | -0.016 | 53.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 310 | ARG | 1 | 0.777 | 0.884 | 54.725 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 311 | GLU | -1 | -0.894 | -0.946 | 59.004 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 312 | SER | 0 | -0.019 | -0.029 | 59.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 313 | GLN | 0 | -0.050 | 0.009 | 54.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 314 | ALA | 0 | 0.068 | 0.039 | 58.344 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 315 | ILE | 0 | -0.050 | -0.013 | 57.570 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 316 | GLY | 0 | 0.007 | -0.005 | 55.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 317 | ASP | -1 | -0.848 | -0.918 | 54.353 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 318 | TYR | 0 | -0.053 | -0.059 | 49.145 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 319 | VAL | 0 | -0.056 | -0.042 | 48.170 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 320 | LEU | 0 | 0.007 | 0.011 | 42.859 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 321 | ALA | 0 | 0.027 | 0.011 | 43.415 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 322 | HIS | 0 | -0.027 | -0.006 | 43.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 323 | ALA | 0 | 0.008 | -0.015 | 43.082 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 324 | TYR | 0 | 0.023 | -0.003 | 40.092 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 325 | LEU | 0 | -0.052 | -0.003 | 44.561 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 326 | ARG | 1 | 0.863 | 0.905 | 39.455 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 327 | ASP | -1 | -0.808 | -0.869 | 45.103 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 328 | ASP | -1 | -0.783 | -0.907 | 42.298 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 329 | HIS | 1 | 0.850 | 0.935 | 44.939 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 330 | VAL | 0 | -0.034 | -0.029 | 39.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 331 | LEU | 0 | -0.022 | -0.018 | 35.924 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 332 | ASP | -1 | -0.828 | -0.932 | 38.792 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 333 | ALA | 0 | -0.058 | -0.028 | 39.367 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 334 | VAL | 0 | -0.063 | -0.028 | 34.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 335 | LEU | 0 | -0.008 | -0.007 | 34.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 336 | PRO | 0 | 0.052 | 0.057 | 37.150 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 337 | PRO | 0 | -0.005 | -0.008 | 40.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 338 | ASP | -1 | -0.930 | -0.961 | 41.984 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 339 | ILE | 0 | -0.043 | -0.007 | 36.145 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 340 | PRO | 0 | -0.037 | -0.025 | 38.603 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 341 | ILE | 0 | 0.013 | 0.011 | 36.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 342 | PRO | 0 | -0.035 | -0.004 | 35.929 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 343 | SER | 0 | 0.040 | 0.035 | 37.567 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 344 | ILE | 0 | 0.036 | 0.021 | 33.079 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 345 | ALA | 0 | 0.024 | 0.003 | 36.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 346 | GLU | -1 | -0.839 | -0.926 | 32.539 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 347 | VAL | 0 | 0.048 | 0.027 | 34.572 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 348 | GLN | 0 | -0.058 | -0.035 | 37.022 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 349 | ARG | 1 | 0.926 | 0.970 | 36.410 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 350 | ALA | 0 | 0.068 | 0.049 | 37.659 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 351 | LEU | 0 | 0.017 | 0.001 | 39.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 352 | TYR | 0 | -0.062 | -0.025 | 42.176 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 353 | ASP | -1 | -0.887 | -0.959 | 42.441 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 354 | ALA | 0 | -0.012 | 0.008 | 42.541 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 355 | THR | 0 | -0.017 | -0.014 | 44.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 356 | LYS | 1 | 0.921 | 0.967 | 47.571 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 357 | ALA | 0 | -0.094 | -0.044 | 46.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 358 | VAL | 0 | -0.060 | -0.036 | 46.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 359 | SER | 0 | 0.012 | 0.036 | 49.351 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 360 | GLY | 0 | 0.016 | 0.009 | 52.209 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 361 | MET | 0 | -0.070 | -0.043 | 53.886 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 362 | PRO | 0 | -0.003 | 0.021 | 53.541 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 363 | GLY | 0 | 0.014 | -0.018 | 52.567 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 364 | GLU | -1 | -0.916 | -0.972 | 52.472 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 365 | GLU | -1 | -0.846 | -0.939 | 53.800 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 366 | VAL | 0 | -0.037 | -0.016 | 50.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 367 | LYS | 1 | 0.882 | 0.939 | 52.162 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 368 | GLN | 0 | -0.079 | -0.019 | 54.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 369 | ARG | 1 | 0.855 | 0.914 | 53.947 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 370 | LEU | 0 | 0.035 | 0.030 | 48.194 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 371 | ARG | 1 | 0.893 | 0.954 | 51.826 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 372 | THR | 0 | 0.030 | 0.015 | 46.934 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 373 | GLY | 0 | -0.049 | -0.041 | 48.215 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 374 | THR | 0 | -0.039 | -0.012 | 47.133 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 375 | VAL | 0 | 0.038 | 0.021 | 46.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 376 | VAL | 0 | -0.007 | -0.002 | 47.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 377 | THR | 0 | 0.015 | 0.024 | 44.120 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 378 | THR | 0 | -0.008 | -0.011 | 47.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 379 | ASP | -1 | -0.827 | -0.921 | 46.935 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 380 | ASP | -1 | -0.930 | -0.960 | 48.612 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 381 | ARG | 1 | 0.972 | 0.956 | 52.063 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 382 | ASN | 0 | -0.034 | 0.008 | 53.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 383 | TRP | 0 | 0.088 | 0.036 | 54.730 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 384 | GLU | -1 | -0.880 | -0.943 | 56.890 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 385 | LEU | 0 | -0.068 | -0.033 | 60.176 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 386 | ARG | 1 | 0.907 | 0.944 | 57.267 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 387 | TYR | 0 | 0.065 | 0.036 | 59.880 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 388 | SER | 0 | 0.010 | -0.015 | 60.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 389 | ALA | 0 | -0.055 | -0.017 | 59.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 390 | SER | 0 | 0.012 | -0.001 | 56.337 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 391 | ALA | 0 | 0.029 | 0.032 | 57.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 392 | LEU | 0 | 0.003 | 0.003 | 58.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 393 | ARG | 1 | 0.867 | 0.899 | 49.265 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 394 | PHE | 0 | 0.041 | 0.021 | 53.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 395 | ASN | 0 | -0.003 | -0.006 | 55.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 396 | LEU | 0 | -0.050 | -0.022 | 54.269 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 397 | SER | 0 | -0.012 | 0.008 | 50.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 398 | ARG | 1 | 0.920 | 0.952 | 51.712 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 399 | ALA | 0 | 0.062 | 0.057 | 51.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 400 | VAL | 0 | -0.045 | -0.036 | 51.118 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 401 | ALA | 0 | -0.016 | -0.010 | 50.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 402 | ILE | 0 | -0.002 | 0.011 | 50.624 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 403 | ASP | -1 | -0.698 | -0.869 | 45.754 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 404 | MET | 0 | -0.039 | -0.006 | 47.201 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 405 | GLU | -1 | -0.802 | -0.895 | 42.045 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 406 | SER | 0 | -0.012 | -0.022 | 41.458 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 407 | ALA | 0 | -0.019 | -0.007 | 40.475 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 408 | THR | 0 | -0.048 | -0.027 | 38.468 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 409 | ILE | 0 | 0.020 | 0.007 | 36.252 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 410 | ALA | 0 | 0.003 | 0.014 | 35.614 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 411 | ALA | 0 | 0.033 | 0.007 | 35.328 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 412 | GLN | 0 | -0.043 | -0.023 | 33.087 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 413 | GLY | 0 | 0.027 | 0.020 | 31.460 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 414 | TYR | 0 | -0.015 | -0.006 | 30.549 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 415 | ARG | 1 | 0.861 | 0.927 | 30.369 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 416 | PHE | 0 | -0.104 | -0.064 | 26.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 417 | ARG | 1 | 0.894 | 0.964 | 24.762 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 418 | VAL | 0 | 0.036 | 0.018 | 26.444 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 419 | PRO | 0 | 0.015 | 0.013 | 28.023 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 420 | TYR | 0 | -0.013 | -0.037 | 31.243 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 421 | GLY | 0 | 0.052 | 0.011 | 34.722 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 422 | THR | 0 | -0.072 | -0.019 | 38.339 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 423 | LEU | 0 | 0.062 | 0.040 | 41.656 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 424 | LEU | 0 | -0.036 | -0.011 | 44.535 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 425 | CYS | 0 | 0.014 | 0.016 | 47.471 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 426 | VAL | 0 | -0.013 | -0.011 | 50.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 427 | SER | 0 | -0.012 | -0.010 | 53.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 428 | ASP | -1 | -0.784 | -0.941 | 55.575 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 429 | LYS | 1 | 0.819 | 0.929 | 57.551 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 430 | PRO | 0 | 0.039 | 0.029 | 57.488 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 431 | LEU | 0 | -0.064 | -0.036 | 59.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 432 | HIS | 0 | -0.027 | -0.013 | 61.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 433 | GLY | 0 | 0.010 | 0.025 | 64.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 434 | GLU | -1 | -0.906 | -0.980 | 63.139 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 435 | ILE | 0 | -0.046 | -0.014 | 62.197 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 436 | LYS | 1 | 0.841 | 0.922 | 60.702 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 437 | LEU | 0 | 0.052 | 0.040 | 55.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 438 | PRO | 0 | -0.008 | -0.016 | 52.959 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 439 | GLY | 0 | 0.067 | 0.054 | 55.612 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 440 | GLN | 0 | -0.075 | -0.042 | 57.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 441 | ALA | 0 | -0.006 | 0.007 | 60.284 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 442 | ASN | 0 | 0.076 | 0.041 | 59.025 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 443 | ARG | 1 | 0.951 | 0.966 | 59.274 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 444 | PHE | 0 | -0.039 | -0.024 | 59.789 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 445 | TYR | 0 | 0.080 | 0.036 | 50.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 446 | GLU | -1 | -0.795 | -0.906 | 54.819 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 447 | GLY | 0 | -0.099 | -0.044 | 55.238 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 448 | ALA | 0 | -0.016 | -0.016 | 53.895 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 449 | ILE | 0 | -0.034 | 0.008 | 49.612 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 450 | SER | 0 | 0.009 | -0.017 | 49.314 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 451 | GLU | -1 | -0.822 | -0.881 | 48.617 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 452 | HIS | 0 | -0.011 | 0.043 | 46.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 453 | LEU | 0 | 0.008 | -0.005 | 43.069 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 454 | GLN | 0 | 0.018 | 0.006 | 43.922 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 455 | ILE | 0 | -0.066 | -0.016 | 43.847 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 456 | GLY | 0 | 0.017 | 0.005 | 41.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 457 | ILE | 0 | 0.029 | 0.011 | 39.475 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 458 | ARG | 1 | 0.949 | 0.969 | 39.397 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 459 | ALA | 0 | -0.017 | -0.006 | 39.170 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 460 | ILE | 0 | 0.016 | 0.007 | 34.155 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 461 | ASP | -1 | -0.895 | -0.948 | 34.975 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 462 | LEU | 0 | -0.104 | -0.063 | 35.747 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 463 | LEU | 0 | -0.016 | -0.026 | 33.009 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 464 | ARG | 1 | 0.868 | 0.950 | 30.682 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 465 | ALA | 0 | -0.088 | -0.036 | 31.148 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 466 | GLU | -1 | -1.010 | -0.985 | 28.506 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |