FMODB ID: JLL29
Calculation Name: 4KMA-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4KMA
Chain ID: A
UniProt ID: Q9VG38
Base Structure: X-ray
Registration Date: 2023-06-21
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 | OptAll |
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 | 440 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7923383.417843 |
---|---|
FMO2-HF: Nuclear repulsion | 7747601.123436 |
FMO2-HF: Total energy | -175782.294407 |
FMO2-MP2: Total energy | -176290.430776 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:-5:ALA)
Summations of interaction energy for
fragment #1(A:-5:ALA)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-6.15 | -1.984 | 5.084 | -3.948 | -5.302 | -0.011 |
Interaction energy analysis for fragmet #1(A:-5:ALA)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | -3 | ASP | -1 | -0.823 | -0.917 | 3.656 | -3.799 | -1.668 | 0.021 | -1.127 | -1.025 | 0.002 |
4 | A | -2 | PRO | 0 | -0.039 | -0.031 | 4.742 | 0.523 | 0.642 | -0.001 | -0.007 | -0.111 | 0.000 |
5 | A | -1 | GLU | -1 | -0.973 | -0.968 | 7.360 | -0.470 | -0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 0 | PHE | 0 | 0.001 | 0.001 | 9.730 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 1 | MET | 0 | -0.054 | -0.015 | 7.850 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 2 | ALA | 0 | 0.028 | 0.020 | 7.791 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 3 | GLU | -1 | -0.982 | -1.002 | 8.981 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | LYS | 1 | 0.919 | 0.953 | 30.204 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | PRO | 0 | -0.005 | -0.020 | 25.347 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | PRO | 0 | 0.037 | 0.032 | 24.145 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | PRO | 0 | 0.022 | 0.014 | 26.856 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | GLY | 0 | 0.077 | 0.052 | 26.626 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | LEU | 0 | -0.012 | -0.008 | 20.399 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | LYS | 1 | 0.760 | 0.852 | 23.485 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 20 | ALA | 0 | 0.047 | 0.024 | 25.959 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 21 | ILE | 0 | 0.039 | 0.028 | 21.050 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 22 | ILE | 0 | -0.011 | -0.011 | 19.236 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 23 | ASP | -1 | -0.806 | -0.873 | 22.472 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 24 | HIS | 0 | -0.038 | -0.014 | 24.664 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 25 | LEU | 0 | 0.049 | 0.009 | 18.570 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 26 | GLY | 0 | -0.013 | -0.005 | 22.265 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 27 | GLN | 0 | -0.061 | -0.043 | 24.031 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 28 | VAL | 0 | -0.035 | 0.003 | 22.235 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 29 | TYR | 0 | -0.052 | -0.040 | 18.466 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 30 | PRO | 0 | 0.038 | 0.022 | 22.585 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 31 | ASN | 0 | -0.053 | -0.036 | 22.856 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 32 | GLN | 0 | -0.067 | -0.042 | 17.028 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 33 | PRO | 0 | 0.035 | 0.020 | 19.832 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 34 | ASN | 0 | -0.064 | -0.033 | 18.905 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 35 | PRO | 0 | 0.004 | 0.022 | 14.795 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 36 | LEU | 0 | -0.026 | -0.013 | 7.649 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 37 | GLN | 0 | -0.035 | -0.031 | 12.276 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 38 | VAL | 0 | -0.010 | 0.004 | 7.303 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 39 | THR | 0 | 0.031 | 0.018 | 10.402 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 40 | THR | 0 | 0.027 | 0.005 | 11.317 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 41 | LEU | 0 | -0.060 | -0.029 | 11.175 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 42 | LEU | 0 | -0.034 | -0.019 | 14.380 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 43 | LYS | 1 | 0.879 | 0.941 | 16.103 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 44 | TYR | 0 | 0.083 | 0.041 | 18.727 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 45 | TRP | 0 | 0.012 | 0.002 | 21.014 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 46 | LEU | 0 | -0.099 | -0.045 | 20.964 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 47 | GLY | 0 | -0.003 | 0.000 | 23.430 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 48 | GLY | 0 | -0.033 | 0.007 | 19.021 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 49 | GLN | 0 | -0.038 | -0.023 | 14.916 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 50 | ASP | -1 | -0.837 | -0.924 | 14.149 | -0.869 | -0.869 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 51 | PRO | 0 | -0.023 | -0.003 | 16.423 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 52 | LEU | 0 | -0.031 | -0.004 | 13.557 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 53 | ASP | -1 | -0.783 | -0.895 | 15.333 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 54 | TYR | 0 | -0.028 | -0.029 | 14.376 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 55 | ILE | 0 | 0.016 | 0.007 | 10.215 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 56 | SER | 0 | 0.015 | 0.022 | 11.740 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 57 | MET | 0 | -0.065 | -0.020 | 6.715 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 58 | TYR | 0 | 0.053 | 0.026 | 11.691 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 59 | ASN | 0 | -0.028 | -0.012 | 13.366 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 60 | TYR | 0 | 0.072 | 0.052 | 15.234 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 61 | PRO | 0 | 0.007 | -0.001 | 17.675 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 62 | GLY | 0 | 0.035 | 0.009 | 19.692 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 63 | ASP | -1 | -0.924 | -0.978 | 21.555 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 64 | VAL | 0 | -0.007 | -0.017 | 24.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 65 | ASP | -1 | -0.926 | -0.912 | 27.065 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 66 | ARG | 1 | 0.884 | 0.928 | 27.061 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 67 | ASN | 0 | 0.007 | -0.008 | 26.470 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 68 | VAL | 0 | 0.012 | 0.002 | 21.300 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 69 | PRO | 0 | 0.070 | 0.040 | 19.324 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 70 | PRO | 0 | 0.003 | -0.002 | 17.528 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 71 | HIS | 0 | -0.047 | -0.013 | 14.504 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 72 | TRP | 0 | -0.042 | -0.024 | 10.179 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 73 | HIS | 0 | -0.005 | 0.002 | 12.531 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 74 | TYR | 0 | -0.048 | -0.050 | 7.060 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 75 | ILE | 0 | 0.031 | 0.004 | 12.811 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 76 | SER | 0 | -0.076 | -0.046 | 14.810 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 77 | PHE | 0 | -0.018 | -0.017 | 15.811 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 78 | GLY | 0 | -0.009 | -0.034 | 17.886 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 79 | LEU | 0 | 0.010 | 0.024 | 19.036 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 80 | SER | 0 | -0.028 | -0.027 | 21.707 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 81 | ASP | -1 | -0.765 | -0.891 | 23.967 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 82 | LEU | 0 | -0.065 | -0.020 | 20.359 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 83 | HIS | 0 | -0.088 | -0.071 | 22.705 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 84 | GLY | 0 | 0.007 | -0.006 | 27.695 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 85 | ASP | -1 | -0.859 | -0.903 | 29.469 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 86 | GLU | -1 | -0.843 | -0.915 | 31.396 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 87 | ARG | 1 | 0.738 | 0.860 | 25.037 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 88 | VAL | 0 | -0.050 | -0.033 | 23.249 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 89 | HIS | 0 | -0.007 | 0.009 | 23.611 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 90 | LEU | 0 | 0.016 | 0.011 | 28.547 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 91 | ARG | 1 | 0.803 | 0.861 | 32.223 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 92 | GLU | -1 | -0.907 | -0.950 | 34.849 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 93 | GLU | -1 | -0.894 | -0.927 | 37.367 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 94 | GLY | 0 | -0.066 | -0.031 | 38.990 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 95 | VAL | 0 | -0.008 | 0.001 | 33.991 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 96 | THR | 0 | -0.008 | -0.015 | 35.127 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 97 | ARG | 1 | 0.770 | 0.890 | 28.114 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 98 | SER | 0 | 0.029 | 0.023 | 27.951 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 99 | GLY | 0 | 0.034 | 0.007 | 27.042 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 100 | MET | 0 | 0.008 | 0.002 | 24.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 101 | GLY | 0 | -0.004 | 0.000 | 26.945 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 102 | PHE | 0 | -0.030 | -0.015 | 21.368 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 103 | GLU | -1 | -0.687 | -0.788 | 19.286 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 104 | LEU | 0 | -0.007 | 0.003 | 15.538 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 105 | THR | 0 | -0.049 | -0.052 | 16.040 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 106 | PHE | 0 | 0.006 | 0.003 | 10.082 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 107 | ARG | 1 | 0.810 | 0.867 | 14.181 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 108 | LEU | 0 | 0.007 | 0.024 | 8.204 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 109 | ALA | 0 | 0.018 | -0.006 | 12.416 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 110 | LYS | 1 | 0.755 | 0.878 | 12.646 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 111 | THR | 0 | 0.044 | -0.012 | 11.336 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 112 | GLU | -1 | -0.866 | -0.950 | 14.020 | 0.493 | 0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 113 | ILE | 0 | -0.026 | -0.018 | 13.150 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 114 | GLU | -1 | -0.787 | -0.862 | 10.175 | 1.410 | 1.410 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 115 | LEU | 0 | -0.001 | 0.000 | 13.993 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 116 | LYS | 1 | 0.800 | 0.888 | 17.345 | -0.504 | -0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 117 | GLN | 0 | -0.035 | -0.043 | 13.363 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 118 | GLN | 0 | -0.040 | 0.000 | 16.925 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 119 | ILE | 0 | 0.000 | -0.007 | 18.216 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 120 | GLU | -1 | -0.843 | -0.876 | 21.085 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 121 | ASN | 0 | -0.059 | -0.038 | 19.092 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 122 | PRO | 0 | -0.080 | -0.024 | 16.808 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 123 | GLU | -1 | -0.762 | -0.872 | 18.203 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 124 | LYS | 1 | 0.850 | 0.914 | 16.779 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 125 | PRO | 0 | -0.021 | -0.029 | 15.256 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 126 | GLN | 0 | 0.046 | 0.025 | 13.187 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 127 | ARG | 1 | 0.923 | 0.967 | 8.283 | -0.607 | -0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 128 | PRO | 0 | 0.046 | 0.029 | 8.350 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 129 | PRO | 0 | 0.009 | 0.017 | 4.729 | 0.224 | 0.309 | -0.001 | -0.006 | -0.077 | 0.000 |
127 | A | 130 | THR | 0 | 0.063 | 0.020 | 2.726 | -2.567 | -0.857 | 1.084 | -1.195 | -1.599 | -0.011 |
128 | A | 131 | TRP | 0 | 0.040 | 0.029 | 1.842 | -2.644 | -2.839 | 3.918 | -1.534 | -2.190 | -0.001 |
129 | A | 132 | PRO | 0 | 0.016 | 0.014 | 3.571 | -0.319 | -0.171 | 0.064 | 0.028 | -0.240 | -0.001 |
130 | A | 133 | ALA | 0 | 0.036 | 0.015 | 6.316 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 134 | ASN | 0 | -0.006 | -0.012 | 4.240 | 0.786 | 0.954 | -0.001 | -0.107 | -0.060 | 0.000 |
132 | A | 135 | LEU | 0 | -0.011 | 0.009 | 8.125 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 136 | LEU | 0 | 0.010 | 0.001 | 10.207 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 137 | GLN | 0 | 0.063 | 0.010 | 11.521 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 138 | ALA | 0 | -0.061 | -0.018 | 12.270 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 139 | ILE | 0 | 0.019 | -0.001 | 13.975 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 140 | GLY | 0 | 0.057 | 0.028 | 15.860 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 141 | ARG | 1 | 0.851 | 0.911 | 12.796 | 0.878 | 0.878 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 142 | TYR | 0 | 0.001 | 0.017 | 18.343 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 143 | CYS | 0 | -0.020 | 0.013 | 20.322 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 144 | PHE | 0 | 0.038 | 0.011 | 21.679 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 145 | GLN | 0 | -0.089 | -0.058 | 20.616 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 146 | THR | 0 | -0.060 | -0.042 | 24.113 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 147 | GLY | 0 | 0.070 | 0.046 | 26.010 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 148 | ASN | 0 | -0.022 | 0.003 | 25.046 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 149 | GLY | 0 | 0.057 | 0.027 | 24.761 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 150 | LEU | 0 | -0.049 | -0.018 | 20.279 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 151 | CYS | 0 | 0.006 | 0.003 | 24.825 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 152 | PHE | 0 | -0.002 | -0.024 | 25.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 153 | GLY | 0 | -0.020 | -0.011 | 26.237 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 154 | ASP | -1 | -0.814 | -0.889 | 25.163 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 155 | ASN | 0 | -0.052 | -0.045 | 23.166 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 156 | ILE | 0 | 0.017 | 0.008 | 18.715 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 157 | PRO | 0 | 0.005 | -0.003 | 20.309 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 158 | TRP | 0 | -0.057 | -0.010 | 13.092 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 159 | ARG | 1 | 0.805 | 0.848 | 18.146 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 160 | LYS | 1 | 0.940 | 0.976 | 10.019 | 0.870 | 0.870 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 161 | SER | 0 | 0.034 | 0.022 | 11.265 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 162 | LEU | 0 | -0.021 | -0.025 | 10.682 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 163 | ASP | -1 | -0.794 | -0.889 | 5.865 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 164 | GLY | 0 | -0.067 | -0.024 | 6.199 | -0.573 | -0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 165 | SER | 0 | -0.061 | -0.031 | 8.605 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 166 | THR | 0 | -0.022 | -0.011 | 9.638 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 167 | THR | 0 | -0.023 | -0.025 | 12.104 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 168 | SER | 0 | -0.023 | -0.013 | 11.527 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 169 | LYS | 1 | 0.890 | 0.916 | 13.495 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 170 | LEU | 0 | -0.068 | 0.004 | 14.351 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 171 | GLN | 0 | -0.055 | -0.031 | 14.495 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 172 | ASN | 0 | 0.016 | 0.001 | 16.257 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 173 | LEU | 0 | -0.006 | -0.004 | 14.639 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 174 | LEU | 0 | -0.001 | -0.002 | 18.805 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 175 | VAL | 0 | 0.017 | 0.007 | 20.210 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 176 | ALA | 0 | 0.008 | 0.001 | 22.226 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 177 | GLN | 0 | -0.027 | -0.013 | 23.397 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 178 | ASP | -1 | -0.727 | -0.826 | 19.790 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 179 | PRO | 0 | -0.026 | -0.001 | 21.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 180 | GLN | 0 | -0.027 | -0.001 | 20.915 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 181 | LEU | 0 | -0.058 | -0.010 | 20.055 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 182 | GLY | 0 | 0.047 | 0.025 | 24.361 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 183 | CYS | 0 | -0.055 | -0.049 | 26.540 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 184 | ILE | 0 | -0.056 | -0.018 | 26.765 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 185 | ASP | -1 | -0.880 | -0.942 | 29.384 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 186 | THR | 0 | -0.042 | -0.043 | 27.507 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 187 | PRO | 0 | -0.054 | -0.041 | 30.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 188 | THR | 0 | -0.031 | -0.009 | 28.556 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 189 | GLY | 0 | 0.061 | 0.045 | 31.718 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 190 | THR | 0 | -0.031 | -0.021 | 30.504 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 191 | VAL | 0 | 0.003 | -0.003 | 24.116 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 192 | ASP | -1 | -0.772 | -0.858 | 25.780 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 193 | PHE | 0 | 0.002 | -0.016 | 20.697 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 194 | CYS | 0 | -0.027 | -0.007 | 21.651 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 195 | GLN | 0 | 0.005 | 0.006 | 18.231 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 196 | ILE | 0 | -0.001 | -0.004 | 15.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 197 | VAL | 0 | -0.021 | -0.015 | 17.037 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 198 | GLY | 0 | 0.012 | 0.000 | 15.747 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 199 | VAL | 0 | -0.027 | -0.022 | 16.680 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 200 | PHE | 0 | 0.054 | 0.010 | 18.984 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 201 | ASP | -1 | -0.794 | -0.873 | 21.325 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 202 | ASP | -1 | -0.766 | -0.859 | 23.756 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 203 | GLU | -1 | -0.693 | -0.817 | 22.176 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 204 | LEU | 0 | 0.010 | 0.015 | 22.712 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 205 | GLU | -1 | -0.808 | -0.886 | 25.087 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 206 | GLN | 0 | 0.001 | 0.002 | 28.572 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 207 | ALA | 0 | -0.020 | -0.007 | 26.431 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 208 | SER | 0 | -0.057 | -0.018 | 28.367 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 209 | ARG | 1 | 0.852 | 0.894 | 29.909 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 210 | TRP | 0 | 0.008 | 0.033 | 31.777 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 211 | ASN | 0 | 0.040 | 0.009 | 31.312 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 212 | GLY | 0 | 0.092 | 0.049 | 27.282 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 213 | ARG | 1 | 0.821 | 0.873 | 27.660 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 214 | GLY | 0 | 0.017 | 0.018 | 29.463 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 215 | VAL | 0 | 0.013 | 0.001 | 25.979 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 216 | LEU | 0 | -0.023 | -0.012 | 22.999 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 217 | ASN | 0 | -0.001 | -0.013 | 26.493 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 218 | PHE | 0 | 0.011 | 0.017 | 28.852 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 219 | LEU | 0 | -0.006 | -0.005 | 22.555 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 220 | ARG | 1 | 0.882 | 0.952 | 25.204 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 221 | GLN | 0 | -0.095 | -0.036 | 26.805 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 222 | ASP | -1 | -0.771 | -0.872 | 27.078 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 223 | MET | 0 | -0.024 | 0.004 | 23.983 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 224 | GLN | 0 | -0.128 | -0.076 | 22.466 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 225 | THR | 0 | -0.048 | -0.045 | 22.433 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 226 | GLY | 0 | 0.011 | 0.017 | 20.498 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 227 | GLY | 0 | -0.018 | 0.008 | 21.474 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 228 | ASP | -1 | -0.860 | -0.950 | 24.302 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 229 | TRP | 0 | -0.030 | -0.029 | 21.052 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 230 | LEU | 0 | -0.033 | -0.004 | 21.074 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 231 | VAL | 0 | -0.008 | -0.001 | 16.453 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 232 | THR | 0 | 0.021 | 0.011 | 13.617 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 233 | ASN | 0 | 0.023 | 0.007 | 14.067 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 234 | MET | 0 | 0.033 | 0.008 | 9.187 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 235 | ASP | -1 | -0.888 | -0.918 | 13.072 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 236 | ARG | 1 | 0.769 | 0.861 | 15.521 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 237 | GLN | 0 | -0.003 | -0.001 | 17.925 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 238 | MET | 0 | -0.037 | 0.003 | 20.936 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 239 | SER | 0 | -0.017 | -0.036 | 22.861 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 240 | VAL | 0 | 0.047 | -0.005 | 24.603 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 241 | PHE | 0 | -0.030 | -0.017 | 26.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 242 | GLU | -1 | -0.903 | -0.952 | 25.777 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 243 | LEU | 0 | -0.043 | -0.020 | 24.583 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 244 | PHE | 0 | -0.019 | -0.008 | 27.697 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 245 | PRO | 0 | 0.045 | 0.031 | 31.775 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 246 | GLU | -1 | -0.908 | -0.949 | 34.151 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 247 | THR | 0 | -0.015 | -0.027 | 31.093 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 248 | LEU | 0 | -0.015 | -0.007 | 32.288 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 249 | LEU | 0 | -0.012 | 0.004 | 35.060 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 250 | ASN | 0 | -0.034 | -0.030 | 36.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 251 | LEU | 0 | 0.003 | 0.012 | 32.541 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 252 | GLN | 0 | -0.041 | -0.023 | 36.144 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 253 | ASP | -1 | -0.884 | -0.936 | 39.658 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 254 | ASP | -1 | -0.864 | -0.932 | 37.485 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 255 | LEU | 0 | -0.008 | 0.007 | 36.729 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 256 | GLU | -1 | -0.753 | -0.852 | 38.884 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 257 | LYS | 1 | 0.794 | 0.900 | 41.381 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 258 | GLN | 0 | -0.055 | -0.024 | 37.018 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 259 | GLY | 0 | 0.035 | 0.031 | 39.758 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 260 | SER | 0 | -0.030 | -0.039 | 35.159 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 261 | ASP | -1 | -0.787 | -0.880 | 32.822 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 262 | LEU | 0 | -0.041 | -0.002 | 31.420 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 263 | ALA | 0 | 0.011 | -0.005 | 34.049 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 264 | GLY | 0 | 0.028 | 0.005 | 34.916 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 265 | VAL | 0 | -0.050 | -0.016 | 33.187 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 266 | ASN | 0 | 0.002 | -0.006 | 31.005 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 267 | ALA | 0 | -0.032 | -0.030 | 34.650 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 268 | ASP | -1 | -0.848 | -0.918 | 37.501 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 269 | PHE | 0 | -0.023 | -0.016 | 39.782 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 270 | THR | 0 | -0.001 | 0.003 | 43.186 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 271 | PHE | 0 | -0.011 | -0.001 | 46.637 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 272 | ARG | 1 | 0.891 | 0.937 | 49.780 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 273 | GLU | -1 | -0.766 | -0.878 | 53.523 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 274 | LEU | 0 | -0.096 | -0.045 | 56.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 275 | LYS | 1 | 0.802 | 0.896 | 59.251 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 276 | PRO | 0 | -0.035 | -0.004 | 62.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 277 | THR | 0 | -0.055 | -0.026 | 65.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 278 | LYS | 1 | 0.844 | 0.900 | 65.706 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 279 | GLU | -1 | -0.913 | -0.951 | 63.796 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 280 | VAL | 0 | 0.022 | 0.024 | 57.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 281 | LYS | 1 | 0.858 | 0.910 | 59.008 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 282 | GLU | -1 | -0.759 | -0.884 | 55.748 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 283 | GLU | -1 | -0.891 | -0.925 | 52.463 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 284 | VAL | 0 | -0.028 | -0.023 | 53.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 285 | ASP | -1 | -0.864 | -0.926 | 53.438 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 286 | PHE | 0 | 0.031 | 0.020 | 44.291 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 287 | GLN | 0 | 0.028 | 0.010 | 48.631 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 288 | ALA | 0 | -0.033 | -0.024 | 49.482 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 289 | LEU | 0 | -0.051 | -0.021 | 48.413 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 290 | SER | 0 | -0.015 | -0.007 | 45.324 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 291 | GLU | -1 | -0.862 | -0.938 | 45.589 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 292 | LYS | 1 | 0.751 | 0.861 | 47.568 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 293 | CYS | 0 | -0.016 | -0.004 | 42.265 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 294 | ALA | 0 | -0.017 | 0.005 | 42.555 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 295 | ASN | 0 | -0.145 | -0.074 | 43.399 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 296 | ASP | -1 | -0.990 | -0.992 | 42.852 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 308 | LYS | 1 | 0.935 | 0.951 | 24.941 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 309 | ARG | 1 | 0.810 | 0.905 | 26.814 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 310 | GLU | -1 | -0.886 | -0.936 | 29.018 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 311 | GLU | -1 | -0.885 | -0.935 | 31.742 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 312 | PRO | 0 | -0.013 | 0.010 | 29.625 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 313 | SER | 0 | -0.034 | -0.037 | 28.504 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 314 | PHE | 0 | -0.028 | 0.011 | 31.077 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 315 | PRO | 0 | 0.009 | -0.002 | 30.041 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 316 | GLN | 0 | 0.024 | -0.004 | 27.069 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 317 | SER | 0 | -0.024 | -0.022 | 31.519 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 318 | MET | 0 | 0.011 | 0.011 | 34.482 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 319 | SER | 0 | -0.044 | -0.052 | 32.719 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 320 | MET | 0 | -0.031 | -0.001 | 33.062 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 321 | SER | 0 | 0.009 | 0.003 | 35.758 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 322 | SER | 0 | 0.044 | 0.029 | 38.321 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 323 | ASN | 0 | -0.001 | -0.003 | 40.027 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 324 | SER | 0 | -0.057 | -0.056 | 42.687 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 325 | LEU | 0 | 0.073 | 0.039 | 42.477 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 326 | HIS | 0 | 0.012 | 0.013 | 43.937 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 327 | LYS | 1 | 0.885 | 0.934 | 40.967 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 328 | SER | 0 | -0.006 | 0.019 | 39.313 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 329 | CYS | 0 | 0.002 | -0.004 | 39.102 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 330 | PRO | 0 | 0.022 | 0.018 | 37.463 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 331 | LEU | 0 | -0.022 | -0.014 | 37.384 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 332 | ASP | -1 | -0.865 | -0.908 | 34.735 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 333 | PHE | 0 | -0.008 | -0.005 | 37.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 334 | GLN | 0 | 0.030 | -0.004 | 40.895 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 335 | ALA | 0 | 0.043 | 0.045 | 44.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 336 | GLN | 0 | -0.040 | -0.030 | 48.075 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 337 | ALA | 0 | 0.019 | 0.009 | 50.548 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 338 | PRO | 0 | -0.055 | -0.027 | 52.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 339 | ASN | 0 | -0.042 | -0.036 | 55.068 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 340 | CYS | 0 | -0.033 | 0.002 | 53.209 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 341 | ILE | 0 | -0.045 | -0.023 | 54.426 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 342 | SER | 0 | -0.013 | -0.033 | 55.517 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 343 | LEU | 0 | -0.031 | -0.015 | 53.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 344 | ASP | -1 | -0.798 | -0.904 | 58.001 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 345 | GLY | 0 | 0.035 | 0.000 | 57.893 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 346 | ILE | 0 | -0.061 | -0.010 | 50.826 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 347 | GLU | -1 | -0.804 | -0.897 | 52.619 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 348 | ILE | 0 | 0.003 | -0.007 | 46.728 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 349 | THR | 0 | -0.001 | 0.005 | 46.712 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 350 | LEU | 0 | -0.018 | -0.016 | 40.927 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 351 | ALA | 0 | 0.085 | 0.045 | 40.169 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 352 | PRO | 0 | 0.025 | 0.002 | 41.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 353 | GLY | 0 | -0.023 | -0.005 | 37.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 354 | VAL | 0 | -0.027 | -0.016 | 35.792 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 355 | ALA | 0 | 0.065 | 0.032 | 38.125 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 356 | LYS | 1 | 0.801 | 0.885 | 34.679 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 357 | TYR | 0 | -0.002 | -0.004 | 31.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 358 | LEU | 0 | -0.006 | 0.008 | 38.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 359 | LEU | 0 | 0.016 | 0.026 | 39.412 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 360 | LEU | 0 | -0.013 | 0.003 | 36.339 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 361 | ALA | 0 | 0.015 | 0.009 | 39.952 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 362 | ILE | 0 | 0.022 | 0.003 | 41.736 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 363 | LYS | 1 | 0.834 | 0.914 | 42.561 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 364 | ASP | -1 | -0.850 | -0.935 | 39.570 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 365 | ARG | 1 | 0.770 | 0.886 | 36.714 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 366 | ILE | 0 | -0.013 | 0.001 | 41.981 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 367 | ARG | 1 | 0.827 | 0.890 | 43.624 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 368 | HIS | 0 | -0.091 | -0.033 | 42.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 369 | GLY | 0 | 0.017 | 0.012 | 44.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 370 | ARG | 1 | 0.765 | 0.879 | 39.090 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 371 | HIS | 0 | -0.016 | -0.009 | 39.504 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 372 | PHE | 0 | 0.012 | 0.008 | 36.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 373 | THR | 0 | -0.035 | -0.024 | 38.598 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 374 | PHE | 0 | 0.023 | 0.013 | 38.297 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 375 | LYS | 1 | 0.814 | 0.886 | 34.878 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 376 | ALA | 0 | 0.043 | 0.038 | 37.381 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 377 | GLN | 0 | -0.066 | -0.049 | 37.546 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 378 | HIS | 0 | 0.040 | 0.019 | 38.393 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 379 | LEU | 0 | 0.016 | 0.027 | 40.970 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 380 | ALA | 0 | 0.000 | -0.007 | 40.552 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 381 | LEU | 0 | 0.034 | 0.027 | 42.216 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 382 | THR | 0 | -0.008 | 0.001 | 42.725 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 383 | LEU | 0 | 0.012 | 0.017 | 43.898 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 384 | VAL | 0 | 0.015 | -0.012 | 44.892 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 385 | ALA | 0 | 0.075 | 0.050 | 47.175 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 386 | GLU | -1 | -0.829 | -0.921 | 49.017 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 387 | SER | 0 | -0.061 | -0.020 | 48.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 388 | VAL | 0 | -0.056 | -0.012 | 45.768 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 389 | THR | 0 | 0.006 | 0.010 | 47.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 390 | GLY | 0 | -0.015 | -0.024 | 47.303 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 391 | SER | 0 | 0.001 | 0.012 | 48.394 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 392 | ALA | 0 | -0.031 | -0.014 | 49.617 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 393 | VAL | 0 | -0.006 | 0.017 | 51.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 394 | THR | 0 | -0.009 | -0.007 | 53.417 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 395 | VAL | 0 | 0.065 | 0.019 | 55.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 396 | ASN | 0 | -0.081 | -0.042 | 57.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 397 | GLU | -1 | -0.896 | -0.913 | 58.341 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 398 | PRO | 0 | 0.054 | 0.034 | 55.074 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 399 | TYR | 0 | -0.012 | -0.036 | 52.862 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 400 | GLY | 0 | 0.049 | 0.018 | 52.380 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 401 | VAL | 0 | -0.026 | -0.005 | 50.084 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 402 | LEU | 0 | 0.009 | 0.007 | 48.236 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 403 | GLY | 0 | 0.028 | 0.019 | 48.321 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 404 | TYR | 0 | 0.039 | 0.010 | 44.181 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 405 | TRP | 0 | -0.016 | -0.024 | 43.150 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 406 | ILE | 0 | -0.003 | 0.007 | 45.805 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 407 | GLN | 0 | -0.006 | -0.004 | 46.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 408 | VAL | 0 | 0.036 | 0.003 | 48.332 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 409 | LEU | 0 | -0.019 | -0.005 | 49.115 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 410 | ILE | 0 | -0.031 | -0.017 | 47.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 411 | PRO | 0 | 0.007 | -0.007 | 51.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 412 | ASP | -1 | -0.861 | -0.935 | 52.644 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 413 | GLU | -1 | -0.911 | -0.961 | 54.003 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 414 | LEU | 0 | -0.010 | -0.013 | 53.426 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 415 | VAL | 0 | 0.025 | 0.022 | 48.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 416 | PRO | 0 | -0.042 | -0.033 | 50.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 417 | ARG | 1 | 0.841 | 0.893 | 52.654 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 418 | LEU | 0 | 0.048 | 0.034 | 49.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 419 | MET | 0 | -0.031 | -0.007 | 47.357 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 420 | GLU | -1 | -0.948 | -0.962 | 49.403 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 421 | ASP | -1 | -0.835 | -0.912 | 52.295 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 422 | PHE | 0 | -0.036 | -0.035 | 45.877 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 423 | CYS | 0 | -0.006 | -0.005 | 47.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 424 | SER | 0 | -0.069 | -0.038 | 48.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 425 | ALA | 0 | -0.051 | -0.020 | 48.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 426 | GLY | 0 | -0.045 | -0.007 | 47.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 427 | LEU | 0 | -0.058 | -0.048 | 43.860 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 428 | ASP | -1 | -0.776 | -0.900 | 40.684 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 429 | GLU | -1 | -0.890 | -0.965 | 36.572 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 430 | LYS | 1 | 0.756 | 0.860 | 31.284 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 431 | CYS | 0 | -0.088 | 0.015 | 37.237 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 432 | GLU | -1 | -0.763 | -0.883 | 36.486 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 433 | PRO | 0 | 0.009 | 0.020 | 40.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 434 | LYS | 1 | 0.769 | 0.846 | 39.438 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 435 | GLU | -1 | -0.897 | -0.941 | 44.794 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 436 | ARG | 1 | 0.779 | 0.884 | 47.708 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 437 | LEU | 0 | -0.004 | -0.004 | 48.683 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 438 | GLU | -1 | -0.831 | -0.899 | 50.578 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 439 | LEU | 0 | -0.010 | 0.003 | 50.275 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 440 | GLU | -1 | -0.871 | -0.937 | 53.653 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 441 | TRP | 0 | -0.008 | -0.019 | 51.327 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 442 | PRO | 0 | 0.036 | 0.005 | 58.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 443 | ASP | -1 | -0.842 | -0.872 | 60.658 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 444 | LYS | 1 | 0.799 | 0.886 | 57.308 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 445 | ASN | 0 | -0.054 | -0.008 | 58.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 446 | LEU | 0 | 0.017 | 0.029 | 51.836 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 447 | LYS | 1 | 0.823 | 0.892 | 54.088 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 448 | LEU | 0 | -0.005 | 0.006 | 46.750 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 449 | ILE | 0 | -0.008 | -0.009 | 49.401 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 450 | ILE | 0 | -0.028 | -0.011 | 44.370 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 451 | ASP | -1 | -0.803 | -0.908 | 46.219 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 452 | GLN | 0 | -0.078 | -0.048 | 40.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 453 | PRO | 0 | -0.042 | -0.014 | 43.426 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 454 | GLU | -1 | -0.949 | -0.952 | 46.296 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |