![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: KR643
Calculation Name: 2G6T-A-Xray311
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2G6T
Chain ID: A
UniProt ID: Q97H28
Base Structure: X-ray
Registration Date: 2021-09-06
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200116 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 306 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -4774575.559801 |
---|---|
FMO2-HF: Nuclear repulsion | 4646094.901191 |
FMO2-HF: Total energy | -128480.65861 |
FMO2-MP2: Total energy | -128851.792862 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F015502/ligand_interaction/ligand_F015502.png)
Ligand Interaction
![ligand interaction](./Kdata/F015502/ligand_interaction/ligand_interaction_F015502.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:1:MET )
Summations of interaction energy for
fragment #1(A:1:MET )
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. |
-19.966 | -10.42 | 7.488 | -5.651 | -11.383 | -0.061 |
Interaction energy analysis for fragmet #1(A:1:MET )
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 | 3 | LYS | 1 | 0.993 | 1.018 | 2.616 | -5.199 | -2.088 | 1.314 | -1.543 | -2.881 | -0.010 |
4 | A | 4 | CYS | 0 | -0.039 | -0.023 | 4.640 | 0.180 | 0.253 | 0.000 | -0.008 | -0.065 | 0.000 |
5 | A | 5 | LEU | 0 | 0.042 | 0.054 | 7.662 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | ILE | 0 | 0.007 | 0.006 | 10.712 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | TRP | 0 | 0.034 | 0.028 | 13.203 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | GLY | 0 | -0.007 | -0.007 | 16.850 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | VAL | 0 | 0.007 | -0.009 | 16.778 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | ASN | 0 | 0.027 | 0.013 | 19.178 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ASP | -1 | -0.861 | -0.938 | 20.959 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | GLU | -1 | -0.838 | -0.926 | 19.780 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | TYR | 0 | -0.032 | -0.036 | 13.652 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | THR | 0 | -0.005 | -0.006 | 17.038 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LEU | 0 | -0.049 | -0.020 | 19.171 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ALA | 0 | -0.025 | -0.029 | 15.467 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | TYR | 0 | 0.011 | 0.022 | 13.542 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASP | -1 | -0.825 | -0.915 | 13.762 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | LYS | 1 | 0.809 | 0.899 | 13.783 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | 0.023 | 0.016 | 9.889 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | LEU | 0 | 0.006 | 0.017 | 9.308 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | PHE | 0 | 0.005 | 0.011 | 10.132 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLU | -1 | -0.742 | -0.885 | 7.669 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | ILE | 0 | -0.016 | -0.002 | 5.533 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | SER | 0 | -0.128 | -0.072 | 6.345 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | LYS | 1 | 0.740 | 0.856 | 7.672 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLY | 0 | -0.010 | 0.008 | 4.087 | 0.389 | 0.628 | 0.003 | -0.057 | -0.185 | 0.000 |
28 | A | 28 | ASN | 0 | -0.063 | -0.039 | 2.620 | -2.064 | 0.221 | 2.768 | -1.734 | -3.319 | -0.022 |
29 | A | 29 | LEU | 0 | -0.032 | -0.029 | 2.455 | -4.380 | -1.945 | 2.436 | -2.160 | -2.711 | -0.022 |
30 | A | 30 | SER | 0 | 0.013 | 0.007 | 2.821 | -1.520 | -0.481 | 0.963 | -0.125 | -1.877 | -0.007 |
31 | A | 31 | ILE | 0 | -0.009 | 0.002 | 3.931 | 0.370 | 0.430 | 0.003 | 0.016 | -0.080 | 0.000 |
32 | A | 32 | GLU | -1 | -0.899 | -0.970 | 5.450 | -1.675 | -1.675 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | ALA | 0 | 0.011 | 0.001 | 8.499 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LEU | 0 | -0.015 | -0.011 | 12.156 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ILE | 0 | 0.018 | 0.023 | 14.910 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | SER | 0 | -0.043 | -0.066 | 17.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LYS | 1 | 0.977 | 1.005 | 21.101 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ASP | -1 | -0.857 | -0.934 | 24.676 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | LYS | 1 | 0.808 | 0.929 | 22.357 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | TYR | 0 | 0.037 | 0.022 | 22.510 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ALA | 0 | -0.016 | -0.017 | 22.097 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LYS | 1 | 0.942 | 0.965 | 21.794 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | TYR | 0 | 0.026 | 0.003 | 16.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ILE | 0 | -0.020 | 0.001 | 17.145 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASP | -1 | -0.819 | -0.887 | 14.878 | -0.500 | -0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLY | 0 | -0.027 | -0.011 | 14.247 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | LYS | 1 | 0.877 | 0.942 | 8.569 | 1.024 | 1.024 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | GLU | -1 | -0.889 | -0.941 | 14.067 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | -0.047 | -0.016 | 15.509 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ILE | 0 | 0.012 | 0.004 | 15.490 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ASP | -1 | -0.871 | -0.952 | 18.805 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | LYS | 1 | 0.891 | 0.935 | 19.765 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | THR | 0 | 0.017 | -0.008 | 20.464 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLU | -1 | -0.915 | -0.951 | 18.832 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ILE | 0 | 0.003 | 0.014 | 15.105 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | SER | 0 | -0.027 | -0.018 | 15.480 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | ASN | 0 | -0.042 | -0.011 | 16.589 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | TYR | 0 | -0.041 | -0.016 | 11.204 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | GLU | -1 | -0.903 | -0.933 | 8.853 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | PHE | 0 | -0.055 | -0.069 | 8.109 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ASP | -1 | -0.857 | -0.926 | 6.382 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | TYR | 0 | -0.115 | -0.114 | 6.423 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ILE | 0 | 0.007 | 0.026 | 10.606 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ILE | 0 | -0.035 | -0.025 | 9.154 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ILE | 0 | -0.011 | -0.008 | 13.407 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | PHE | 0 | -0.006 | -0.007 | 13.025 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ASN | 0 | 0.005 | -0.020 | 18.264 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LYS | 1 | 0.898 | 0.938 | 21.992 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | GLU | -1 | -0.894 | -0.951 | 24.042 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ARG | 1 | 0.844 | 0.916 | 25.407 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | TYR | 0 | 0.040 | 0.028 | 18.399 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | SER | 0 | -0.003 | -0.022 | 23.439 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ASP | -1 | -0.884 | -0.937 | 25.531 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ILE | 0 | -0.035 | -0.006 | 20.496 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LYS | 1 | 0.924 | 0.968 | 19.645 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ASN | 0 | 0.014 | 0.014 | 22.272 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | GLU | -1 | -0.755 | -0.857 | 23.539 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | ALA | 0 | -0.029 | -0.020 | 19.375 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | LEU | 0 | -0.034 | -0.017 | 21.267 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | GLU | -1 | -0.978 | -0.992 | 23.285 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | LEU | 0 | -0.039 | -0.028 | 20.647 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | GLY | 0 | -0.038 | -0.008 | 22.146 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ILE | 0 | -0.048 | -0.014 | 16.759 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | PRO | 0 | 0.006 | 0.001 | 16.430 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLU | -1 | -0.760 | -0.910 | 17.130 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ARG | 1 | 0.883 | 0.951 | 10.318 | 0.465 | 0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | LYS | 1 | 0.895 | 0.967 | 12.391 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ILE | 0 | -0.002 | 0.016 | 13.602 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LEU | 0 | 0.018 | -0.001 | 10.080 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ASN | 0 | -0.003 | -0.029 | 14.739 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | GLY | 0 | 0.098 | 0.088 | 14.666 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | LYS | 1 | 0.958 | 0.969 | 15.697 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | PHE | 0 | -0.037 | -0.024 | 15.603 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | PHE | 0 | 0.080 | 0.043 | 9.748 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | PHE | 0 | -0.095 | -0.031 | 14.974 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ILE | 0 | -0.020 | 0.011 | 16.576 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | SER | 0 | 0.001 | -0.003 | 17.667 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ASN | 0 | -0.067 | -0.034 | 16.721 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | PHE | 0 | -0.024 | -0.001 | 10.604 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ASP | -1 | -0.780 | -0.899 | 8.916 | 0.843 | 0.843 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | PHE | 0 | 0.016 | 0.021 | 4.708 | 0.058 | 0.145 | 0.000 | -0.005 | -0.082 | 0.000 |
102 | A | 102 | LYS | 1 | 1.017 | 1.014 | 4.131 | -4.855 | -4.638 | 0.001 | -0.035 | -0.183 | 0.000 |
103 | A | 103 | ARG | 1 | 0.799 | 0.867 | 5.810 | -0.716 | -0.716 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | TYR | 0 | -0.062 | -0.059 | 9.173 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | CYS | 0 | 0.053 | 0.028 | 5.942 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | LYS | 1 | 0.887 | 0.971 | 7.623 | -0.620 | -0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | LEU | 0 | -0.037 | -0.044 | 8.510 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ILE | 0 | -0.005 | 0.010 | 10.521 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | GLU | -1 | -0.801 | -0.880 | 7.918 | -0.480 | -0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ASN | 0 | -0.088 | -0.021 | 10.746 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | PRO | 0 | -0.013 | 0.006 | 13.020 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | 0.060 | 0.063 | 14.963 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | THR | 0 | -0.101 | -0.015 | 17.233 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ILE | 0 | 0.006 | -0.009 | 20.411 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | ILE | 0 | -0.010 | 0.006 | 22.810 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | SER | 0 | -0.045 | -0.044 | 26.414 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ASP | -1 | -0.773 | -0.872 | 28.833 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ASP | -1 | -0.776 | -0.877 | 30.889 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | CYS | 0 | 0.025 | 0.000 | 30.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | TRP | 0 | 0.003 | 0.014 | 22.621 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | GLY | 0 | 0.061 | 0.021 | 24.576 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | GLY | 0 | 0.060 | 0.026 | 24.136 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | LEU | 0 | -0.016 | -0.008 | 25.110 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | VAL | 0 | 0.005 | -0.003 | 20.400 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | SER | 0 | 0.004 | -0.003 | 20.361 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | SER | 0 | -0.006 | 0.006 | 20.626 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | TYR | 0 | -0.062 | -0.032 | 20.225 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | LEU | 0 | -0.005 | -0.006 | 16.360 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | GLY | 0 | 0.012 | 0.013 | 17.148 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | PHE | 0 | -0.023 | -0.013 | 13.638 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | LYS | 1 | 0.877 | 0.925 | 18.408 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | PHE | 0 | 0.026 | -0.002 | 20.773 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ASN | 0 | 0.038 | 0.033 | 18.558 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | SER | 0 | 0.020 | -0.032 | 22.372 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | PRO | 0 | 0.001 | 0.019 | 25.356 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | PHE | 0 | -0.021 | -0.014 | 27.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ILE | 0 | -0.029 | -0.004 | 26.209 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | ASN | 0 | -0.032 | -0.022 | 30.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | PHE | 0 | 0.061 | 0.024 | 32.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | TYR | 0 | -0.003 | 0.006 | 34.007 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | ILE | 0 | -0.012 | 0.026 | 34.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | HIS | 0 | 0.024 | 0.009 | 36.987 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ASN | 0 | 0.077 | 0.017 | 36.880 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ASP | -1 | -0.951 | -0.963 | 38.444 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ASP | -1 | -0.804 | -0.932 | 39.886 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | TYR | 0 | -0.013 | -0.034 | 29.653 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ILE | 0 | -0.037 | -0.038 | 34.675 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | LYS | 1 | 0.882 | 0.964 | 36.065 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | PHE | 0 | 0.021 | 0.012 | 30.687 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | LEU | 0 | -0.055 | -0.025 | 29.713 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | GLU | -1 | -0.813 | -0.891 | 32.125 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ASN | 0 | -0.044 | -0.016 | 34.841 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | MET | 0 | 0.019 | 0.030 | 28.117 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ASP | -1 | -0.806 | -0.913 | 30.697 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | TYR | 0 | 0.054 | 0.038 | 33.084 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | TYR | 0 | -0.014 | -0.031 | 35.701 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LEU | 0 | -0.066 | -0.029 | 29.895 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | GLU | -1 | -0.974 | -0.984 | 34.238 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | GLN | 0 | -0.069 | -0.028 | 36.751 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | GLU | -1 | -0.940 | -0.961 | 38.497 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.047 | -0.017 | 37.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | LYS | 1 | 0.869 | 0.931 | 40.581 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | VAL | 0 | 0.017 | 0.012 | 44.236 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | GLU | -1 | -0.815 | -0.885 | 45.484 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLN | 0 | -0.019 | -0.042 | 46.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLU | -1 | -0.835 | -0.935 | 46.319 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | GLY | 0 | -0.034 | 0.005 | 46.619 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ASN | 0 | 0.054 | 0.025 | 47.674 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | VAL | 0 | 0.114 | 0.048 | 46.592 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | TYR | 0 | -0.066 | -0.037 | 49.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | SER | 0 | -0.046 | -0.006 | 51.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | CYS | 0 | -0.051 | -0.027 | 48.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | THR | 0 | -0.028 | -0.003 | 47.759 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | MET | 0 | -0.016 | -0.005 | 42.541 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | PRO | 0 | 0.050 | 0.031 | 42.358 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LYS | 1 | 0.827 | 0.922 | 42.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | GLY | 0 | 0.048 | 0.006 | 41.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | SER | 0 | -0.018 | 0.001 | 42.082 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | LEU | 0 | 0.029 | 0.008 | 36.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | GLY | 0 | 0.063 | 0.040 | 40.787 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | THR | 0 | -0.097 | -0.062 | 42.791 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | GLY | 0 | 0.120 | 0.065 | 46.562 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | ASP | -1 | -0.930 | -0.940 | 47.595 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ASN | 0 | 0.018 | -0.022 | 43.585 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | LYS | 1 | 0.762 | 0.910 | 43.196 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ILE | 0 | 0.003 | 0.001 | 38.146 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ILE | 0 | -0.005 | -0.002 | 41.407 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | LEU | 0 | -0.063 | -0.012 | 35.917 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ASN | 0 | -0.025 | -0.041 | 38.935 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | PHE | 0 | 0.045 | 0.011 | 36.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ASN | 0 | -0.027 | -0.022 | 36.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | HIS | 0 | -0.054 | -0.020 | 34.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | GLN | 0 | 0.016 | 0.002 | 35.922 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ALA | 0 | -0.019 | 0.018 | 39.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | SER | 0 | -0.026 | -0.018 | 42.733 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | PHE | 0 | 0.046 | 0.008 | 41.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ALA | 0 | -0.018 | -0.008 | 41.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLU | -1 | -0.779 | -0.903 | 39.553 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ALA | 0 | -0.017 | -0.003 | 37.321 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.810 | 0.882 | 36.595 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASN | 0 | -0.025 | -0.001 | 36.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | ASP | -1 | -0.801 | -0.893 | 32.910 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | TRP | 0 | -0.045 | -0.040 | 32.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ASP | -1 | -0.898 | -0.955 | 32.278 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLU | -1 | -0.875 | -0.925 | 30.243 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ARG | 1 | 0.901 | 0.957 | 27.148 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | LYS | 1 | 0.848 | 0.940 | 27.397 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | THR | 0 | -0.062 | -0.046 | 28.023 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ARG | 1 | 0.905 | 0.942 | 23.378 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ILE | 0 | -0.049 | -0.002 | 22.827 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | ASN | 0 | 0.068 | 0.006 | 16.710 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | LYS | 1 | 0.845 | 0.879 | 20.498 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | LYS | 1 | 0.869 | 0.943 | 17.685 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ASN | 0 | -0.107 | -0.065 | 14.309 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | LEU | 0 | 0.023 | 0.027 | 17.862 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | PHE | 0 | 0.009 | 0.015 | 19.797 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | VAL | 0 | 0.002 | -0.008 | 21.609 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | LYS | 1 | 0.816 | 0.913 | 25.312 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | MET | 0 | 0.004 | 0.004 | 27.075 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | LEU | 0 | -0.077 | -0.033 | 30.680 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ILE | 0 | -0.003 | -0.005 | 33.078 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | LYS | 1 | 0.876 | 0.938 | 36.292 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ASP | -1 | -0.899 | -0.942 | 38.612 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | ASP | -1 | -0.956 | -0.987 | 40.406 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ASN | 0 | 0.136 | 0.063 | 40.535 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.797 | -0.926 | 39.695 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | LYS | 1 | 0.940 | 0.981 | 39.725 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LEU | 0 | -0.010 | -0.020 | 37.768 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | VAL | 0 | 0.031 | 0.025 | 34.481 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | LYS | 1 | 0.888 | 0.959 | 34.806 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ARG | 1 | 0.820 | 0.880 | 35.464 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | PHE | 0 | 0.045 | 0.011 | 28.304 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | ASP | -1 | -0.844 | -0.928 | 30.637 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ASN | 0 | -0.075 | -0.050 | 31.166 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | LEU | 0 | -0.027 | 0.016 | 29.883 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | PRO | 0 | 0.016 | 0.007 | 28.609 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | TYR | 0 | -0.017 | -0.033 | 25.077 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LYS | 1 | 0.936 | 0.968 | 21.451 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | ASN | 0 | -0.003 | 0.026 | 17.551 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | LYS | 1 | 0.898 | 0.961 | 21.530 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | VAL | 0 | -0.006 | 0.003 | 24.324 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | CYS | 0 | -0.014 | 0.003 | 26.144 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | PHE | 0 | 0.019 | 0.001 | 25.864 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | HIS | 0 | 0.015 | -0.010 | 31.007 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | PRO | 0 | -0.011 | -0.008 | 34.214 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | LYS | 1 | 0.940 | 0.976 | 36.642 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | PRO | 0 | 0.075 | 0.043 | 34.139 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | MET | 0 | -0.061 | -0.024 | 33.981 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | LYS | 1 | 0.943 | 0.972 | 33.811 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | TYR | 0 | -0.019 | -0.008 | 33.085 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | LYS | 1 | 0.936 | 0.969 | 27.736 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | SER | 0 | -0.017 | 0.002 | 27.204 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | VAL | 0 | -0.024 | -0.019 | 28.244 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ALA | 0 | -0.018 | 0.000 | 27.756 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | PHE | 0 | -0.018 | -0.003 | 29.107 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | PHE | 0 | 0.031 | 0.002 | 26.351 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | PRO | 0 | 0.059 | 0.041 | 30.938 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | ARG | 1 | 0.868 | 0.921 | 30.124 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | TYR | 0 | 0.007 | 0.008 | 33.408 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | ILE | 0 | 0.014 | 0.007 | 34.780 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | TRP | 0 | 0.049 | 0.027 | 36.487 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ARG | 1 | 0.835 | 0.891 | 34.661 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | CYS | 0 | -0.062 | -0.034 | 38.330 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ILE | 0 | -0.030 | -0.008 | 40.667 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ASN | 0 | -0.029 | -0.004 | 40.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | TYR | 0 | -0.023 | 0.006 | 37.569 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ALA | 0 | 0.060 | 0.026 | 40.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ALA | 0 | -0.022 | 0.003 | 40.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ARG | 1 | 0.829 | 0.917 | 40.125 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | THR | 0 | 0.003 | 0.011 | 38.870 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | SER | 0 | 0.013 | 0.000 | 40.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ASN | 0 | 0.027 | -0.004 | 41.950 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | SER | 0 | -0.004 | -0.014 | 40.853 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | ASN | 0 | 0.040 | 0.036 | 38.178 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | LEU | 0 | 0.016 | 0.002 | 33.021 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLU | -1 | -0.768 | -0.919 | 33.476 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLN | 0 | 0.081 | 0.063 | 33.090 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | TYR | 0 | -0.045 | -0.064 | 29.835 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | THR | 0 | -0.042 | -0.026 | 29.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | MET | 0 | 0.005 | 0.008 | 28.067 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ASP | -1 | -0.852 | -0.914 | 29.096 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | MET | 0 | 0.013 | 0.001 | 22.935 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | SER | 0 | 0.030 | 0.029 | 25.633 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | TRP | 0 | -0.099 | -0.062 | 28.128 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | LEU | 0 | 0.024 | 0.010 | 24.136 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | GLU | -1 | -0.838 | -0.924 | 22.604 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | LYS | 1 | 0.895 | 0.965 | 23.608 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | SER | 0 | 0.004 | 0.030 | 26.307 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | CYS | 0 | -0.096 | -0.040 | 22.991 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ASP | -1 | -0.817 | -0.932 | 16.688 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | ILE | 0 | 0.027 | 0.002 | 18.385 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | 0.061 | 0.033 | 12.790 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | LYS | 1 | 0.858 | 0.958 | 14.565 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | MET | 0 | -0.050 | -0.036 | 15.605 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | LEU | 0 | 0.011 | 0.005 | 16.122 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | CYS | 0 | -0.112 | -0.028 | 12.060 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | GLY | 0 | 0.004 | -0.032 | 14.252 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | GLU | -1 | -0.866 | -0.898 | 12.578 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | GLU | -1 | -0.878 | -0.940 | 16.795 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | ASP | -1 | -0.890 | -0.952 | 19.069 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | PHE | 0 | 0.049 | 0.030 | 19.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | ILE | 0 | -0.007 | 0.012 | 20.570 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | ARG | 1 | 0.886 | 0.918 | 21.577 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | GLU | -1 | -0.871 | -0.924 | 24.633 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | LYS | 1 | 0.845 | 0.905 | 24.562 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | ALA | -1 | -0.908 | -0.934 | 30.338 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |