FMODB ID: V2431
Calculation Name: 1ZVU-A-Xray316
Preferred Name: Topoisomerase IV subunit A
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 1ZVU
Chain ID: A
ChEMBL ID: CHEMBL1895
UniProt ID: P0AFI2
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. 1.20200129 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 694 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -13635919.120031 |
---|---|
FMO2-HF: Nuclear repulsion | 13364600.662704 |
FMO2-HF: Total energy | -271318.457327 |
FMO2-MP2: Total energy | -272104.819536 |
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:27:ACE )
Summations of interaction energy for
fragment #1(A:27:ACE )
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. |
5.255 | -3.681 | 18.995 | -6.707 | -3.352 | -0.012 |
Interaction energy analysis for fragmet #1(A:27:ACE )
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 | 29 | ARG | 1 | 0.939 | 0.977 | 3.697 | 1.512 | 2.752 | -0.015 | -0.606 | -0.618 | -0.001 |
4 | A | 30 | ALA | 0 | -0.074 | -0.018 | 3.837 | 0.228 | 0.387 | 0.003 | -0.042 | -0.120 | 0.000 |
5 | A | 31 | LEU | 0 | -0.036 | -0.023 | 5.485 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 32 | PRO | 0 | 0.030 | 0.015 | 7.540 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 33 | PHE | 0 | -0.055 | -0.009 | 8.810 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 34 | ILE | 0 | 0.022 | 0.019 | 11.785 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 35 | GLY | 0 | 0.029 | 0.004 | 15.192 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 36 | ASP | -1 | -0.718 | -0.876 | 12.595 | 0.583 | 0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 37 | GLY | 0 | -0.020 | -0.012 | 12.190 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 38 | LEU | 0 | -0.005 | -0.002 | 8.848 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 39 | LYS | 1 | 0.944 | 0.963 | 3.502 | -0.418 | -0.206 | 0.018 | -0.085 | -0.145 | 0.000 |
14 | A | 40 | PRO | 0 | -0.012 | -0.027 | 4.801 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 41 | VAL | 0 | 0.045 | 0.080 | 2.085 | 7.180 | -2.887 | 17.226 | -5.252 | -1.908 | -0.007 |
16 | A | 42 | GLN | 0 | 0.076 | 0.034 | 4.965 | -0.670 | -0.750 | 0.000 | -0.019 | 0.099 | 0.000 |
17 | A | 43 | ARG | 1 | 0.863 | 0.934 | 7.175 | -1.194 | -1.194 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 44 | ARG | 1 | 0.962 | 0.990 | 7.957 | -1.220 | -1.220 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 45 | ILE | 0 | -0.007 | 0.002 | 6.616 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 46 | VAL | 0 | 0.032 | 0.007 | 10.245 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 47 | TYR | 0 | 0.028 | 0.004 | 12.758 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 48 | ALA | 0 | -0.013 | 0.026 | 13.295 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 49 | MET | 0 | -0.057 | -0.022 | 14.508 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 50 | SER | 0 | -0.043 | -0.052 | 16.834 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 51 | GLU | -1 | -0.905 | -0.963 | 18.956 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 52 | LEU | 0 | -0.072 | -0.041 | 20.550 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 53 | GLY | 0 | 0.059 | 0.062 | 19.369 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 54 | LEU | 0 | -0.096 | -0.065 | 20.000 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 55 | NME | 0 | -0.038 | -0.004 | 23.655 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 64 | ACE | 0 | 0.036 | -0.013 | 20.925 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 65 | ARG | 1 | 0.845 | 0.914 | 21.553 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 66 | THR | 0 | -0.022 | 0.023 | 19.535 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 67 | VAL | 0 | 0.040 | 0.009 | 15.171 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 68 | GLY | 0 | 0.009 | -0.003 | 15.483 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 69 | ASP | -1 | -0.879 | -0.956 | 16.309 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 70 | VAL | 0 | -0.062 | 0.003 | 15.776 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 71 | LEU | 0 | 0.040 | 0.001 | 10.728 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 72 | GLY | 0 | -0.012 | -0.002 | 12.805 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 73 | LYS | 1 | 0.912 | 0.970 | 14.795 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 74 | TYR | 0 | -0.003 | -0.010 | 12.598 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 75 | HIS | 0 | -0.007 | -0.005 | 6.299 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 76 | PRO | 0 | 0.019 | 0.021 | 8.916 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 77 | HIS | 0 | 0.023 | -0.002 | 11.457 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 78 | GLY | 0 | -0.037 | -0.019 | 13.052 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 79 | ASP | -1 | -0.864 | -0.935 | 6.516 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 80 | SER | 0 | 0.038 | 0.017 | 7.816 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 81 | ALA | 0 | 0.031 | 0.024 | 2.368 | 0.307 | -0.363 | 1.761 | -0.611 | -0.480 | -0.004 |
48 | A | 82 | CYS | 0 | -0.050 | -0.032 | 4.071 | 0.054 | 0.251 | 0.001 | -0.071 | -0.127 | 0.000 |
49 | A | 83 | TYR | 0 | -0.022 | -0.009 | 5.860 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 84 | GLU | -1 | -0.854 | -0.928 | 5.871 | -1.502 | -1.502 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 85 | ALA | 0 | -0.080 | -0.042 | 3.804 | 0.198 | 0.271 | 0.001 | -0.021 | -0.053 | 0.000 |
52 | A | 86 | MET | 0 | -0.050 | -0.024 | 5.879 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 87 | VAL | 0 | 0.046 | 0.019 | 9.167 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 88 | LEU | 0 | -0.020 | -0.012 | 7.535 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 89 | MET | 0 | -0.076 | -0.051 | 9.267 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 90 | ALA | 0 | -0.025 | 0.023 | 11.768 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 91 | GLN | 0 | -0.008 | -0.002 | 14.397 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 92 | PRO | 0 | 0.026 | 0.007 | 16.026 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 93 | PHE | 0 | -0.007 | -0.027 | 18.061 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 94 | SER | 0 | -0.010 | 0.018 | 13.015 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 95 | TYR | 0 | 0.011 | 0.009 | 9.063 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 96 | ARG | 1 | 0.763 | 0.882 | 15.354 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 97 | TYR | 0 | -0.020 | -0.013 | 17.334 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 98 | PRO | 0 | 0.048 | 0.039 | 15.668 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 99 | LEU | 0 | 0.041 | 0.060 | 11.692 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 100 | VAL | 0 | 0.005 | -0.003 | 14.175 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 101 | ASP | -1 | -0.921 | -0.933 | 16.456 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 102 | GLY | 0 | 0.019 | 0.010 | 17.851 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 103 | GLN | 0 | -0.078 | -0.055 | 18.528 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 104 | GLY | 0 | 0.025 | 0.016 | 21.359 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 105 | ASN | 0 | -0.027 | -0.033 | 20.421 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 106 | TRP | 0 | -0.009 | -0.025 | 14.406 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 107 | GLY | 0 | 0.045 | 0.008 | 15.465 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 108 | ALA | 0 | -0.064 | -0.015 | 16.779 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 109 | PRO | 0 | 0.003 | 0.020 | 16.495 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 110 | ASP | -1 | -0.895 | -0.942 | 11.231 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 111 | ASP | -1 | -0.902 | -0.951 | 12.793 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 112 | PRO | 0 | -0.039 | -0.017 | 14.506 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 113 | LYS | 1 | 0.920 | 0.959 | 15.248 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 114 | SER | 0 | 0.001 | 0.003 | 15.842 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 115 | PHE | 0 | 0.088 | 0.031 | 10.845 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 116 | ALA | 0 | -0.005 | -0.007 | 16.711 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 117 | ALA | 0 | -0.050 | -0.018 | 19.950 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 118 | MET | 0 | -0.003 | 0.019 | 16.138 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 119 | ARG | 1 | 0.997 | 0.991 | 20.643 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 120 | TYR | 0 | 0.008 | 0.007 | 19.625 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 121 | THR | 0 | -0.004 | -0.015 | 20.972 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 122 | GLU | -1 | -0.892 | -0.955 | 20.834 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 123 | SER | 0 | 0.004 | 0.018 | 15.719 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 124 | ARG | 1 | 0.933 | 0.973 | 18.755 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 125 | LEU | 0 | 0.030 | 0.013 | 15.408 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 126 | SER | 0 | -0.028 | -0.053 | 18.063 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 127 | LYS | 1 | 1.016 | 0.984 | 20.021 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 128 | TYR | 0 | 0.000 | -0.015 | 16.686 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 129 | SER | 0 | 0.043 | 0.010 | 17.024 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 130 | GLU | -1 | -0.901 | -0.925 | 18.738 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 131 | LEU | 0 | -0.030 | -0.016 | 20.184 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 132 | LEU | 0 | -0.011 | -0.024 | 14.457 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 133 | LEU | 0 | 0.025 | 0.000 | 16.424 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 134 | SER | 0 | -0.019 | 0.008 | 20.054 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 135 | GLU | -1 | -0.736 | -0.837 | 22.929 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 136 | LEU | 0 | 0.021 | 0.033 | 18.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 137 | GLY | 0 | -0.001 | 0.009 | 22.509 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 138 | GLN | 0 | -0.049 | -0.046 | 25.394 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 139 | GLY | 0 | 0.025 | 0.003 | 25.922 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 140 | THR | 0 | -0.034 | -0.050 | 22.810 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 141 | ALA | 0 | 0.032 | 0.017 | 18.581 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 142 | ASP | -1 | -0.879 | -0.922 | 18.946 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 143 | TRP | 0 | 0.002 | 0.007 | 18.335 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 144 | VAL | 0 | -0.027 | -0.012 | 14.417 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 145 | PRO | 0 | -0.027 | -0.015 | 16.314 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 146 | ASN | 0 | 0.012 | 0.003 | 14.634 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 147 | PHE | 0 | -0.025 | -0.020 | 11.267 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 148 | ASP | -1 | -0.835 | -0.888 | 12.909 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 149 | GLY | 0 | -0.055 | -0.026 | 16.306 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 150 | THR | 0 | -0.047 | -0.025 | 18.681 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 151 | LEU | 0 | -0.050 | -0.044 | 18.134 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 152 | GLN | 0 | -0.013 | -0.011 | 18.258 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 153 | GLU | -1 | -0.898 | -0.968 | 11.750 | 0.645 | 0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 154 | PRO | 0 | -0.007 | 0.010 | 14.707 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 155 | LYS | 1 | 0.934 | 0.966 | 13.990 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 156 | MET | 0 | -0.075 | -0.014 | 13.159 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 157 | LEU | 0 | 0.025 | -0.001 | 13.804 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 158 | PRO | 0 | -0.008 | 0.008 | 16.458 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 159 | ALA | 0 | -0.013 | -0.008 | 17.158 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 160 | ARG | 1 | 0.830 | 0.915 | 19.255 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 161 | LEU | 0 | 0.013 | -0.005 | 21.032 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 162 | PRO | 0 | 0.041 | 0.029 | 18.925 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 163 | ASN | 0 | 0.071 | 0.037 | 13.135 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 164 | ILE | 0 | -0.014 | 0.006 | 13.338 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 165 | LEU | 0 | -0.020 | 0.001 | 14.868 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 166 | LEU | 0 | -0.024 | 0.010 | 17.700 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 167 | ASN | 0 | -0.017 | -0.038 | 13.467 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 168 | GLY | 0 | -0.002 | 0.016 | 13.467 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 169 | THR | 0 | -0.104 | -0.048 | 9.473 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 170 | THR | 0 | 0.094 | 0.026 | 7.921 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 171 | GLY | 0 | 0.001 | -0.003 | 10.300 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 172 | ILE | 0 | -0.055 | -0.014 | 11.503 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 173 | ALA | 0 | 0.056 | 0.038 | 11.703 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 174 | VAL | 0 | 0.017 | -0.013 | 13.578 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 175 | GLY | 0 | -0.042 | -0.005 | 13.875 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 176 | MET | 0 | 0.041 | 0.026 | 8.309 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 177 | ALA | 0 | -0.046 | -0.033 | 9.620 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 178 | THR | 0 | -0.092 | -0.068 | 9.130 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 179 | ASP | -1 | -0.907 | -0.949 | 11.575 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 180 | ILE | 0 | -0.021 | 0.000 | 12.129 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 181 | PRO | 0 | 0.052 | 0.032 | 14.380 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 182 | PRO | 0 | 0.035 | 0.042 | 16.732 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 183 | HIS | 0 | 0.026 | 0.035 | 17.971 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 184 | ASN | 0 | 0.066 | 0.028 | 21.182 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 185 | LEU | 0 | -0.015 | -0.015 | 22.522 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 186 | ARG | 1 | 0.907 | 0.954 | 23.973 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 187 | GLU | -1 | -0.766 | -0.837 | 26.459 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 188 | VAL | 0 | 0.027 | 0.008 | 22.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 189 | ALA | 0 | -0.005 | 0.000 | 25.255 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 190 | GLN | 0 | 0.006 | -0.014 | 26.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 191 | ALA | 0 | 0.015 | 0.020 | 27.015 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 192 | ALA | 0 | 0.009 | -0.003 | 25.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 193 | ILE | 0 | -0.054 | -0.036 | 27.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 194 | ALA | 0 | 0.023 | 0.009 | 31.092 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 195 | LEU | 0 | 0.022 | 0.017 | 27.545 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 196 | ILE | 0 | -0.102 | -0.039 | 29.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 197 | ASP | -1 | -0.918 | -0.960 | 32.353 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 198 | GLN | 0 | -0.062 | -0.047 | 34.626 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 199 | PRO | 0 | 0.058 | 0.056 | 32.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 200 | LYS | 1 | 0.882 | 0.933 | 32.526 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 201 | THR | 0 | -0.027 | -0.010 | 32.528 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 202 | THR | 0 | -0.005 | -0.014 | 32.542 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 203 | LEU | 0 | 0.028 | -0.001 | 27.994 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 204 | ASP | -1 | -0.846 | -0.941 | 31.225 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 205 | GLN | 0 | 0.076 | 0.051 | 33.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 206 | LEU | 0 | 0.005 | 0.004 | 27.704 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 207 | LEU | 0 | -0.047 | -0.015 | 27.464 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 208 | ASP | -1 | -0.933 | -0.938 | 30.804 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 209 | ILE | 0 | -0.128 | -0.059 | 29.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 210 | VAL | 0 | -0.062 | -0.053 | 24.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 211 | GLN | 0 | -0.004 | -0.014 | 28.118 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 212 | GLY | 0 | 0.025 | 0.005 | 25.375 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 213 | PRO | 0 | -0.035 | -0.007 | 21.073 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 214 | ASP | -1 | -0.770 | -0.910 | 21.815 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 215 | TYR | 0 | 0.068 | 0.025 | 18.212 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 216 | PRO | 0 | -0.032 | 0.002 | 18.642 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 217 | THR | 0 | -0.066 | -0.066 | 21.941 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 218 | GLU | -1 | -0.897 | -0.938 | 24.822 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 219 | ALA | 0 | -0.049 | -0.013 | 26.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 220 | GLU | -1 | -0.791 | -0.900 | 27.868 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 221 | ILE | 0 | -0.035 | -0.019 | 24.528 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 222 | ILE | 0 | 0.025 | 0.004 | 28.194 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 223 | THR | 0 | -0.048 | -0.017 | 27.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 224 | SER | 0 | 0.100 | 0.054 | 30.153 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 225 | ARG | 1 | 1.055 | 1.012 | 31.013 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 226 | ALA | 0 | 0.003 | 0.007 | 31.850 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 227 | GLU | -1 | -0.926 | -0.983 | 29.716 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 228 | ILE | 0 | -0.032 | -0.021 | 26.610 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 229 | ARG | 1 | 0.908 | 0.962 | 27.235 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 230 | LYS | 1 | 0.910 | 0.951 | 28.440 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 231 | ILE | 0 | -0.026 | 0.010 | 22.593 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 232 | TYR | 0 | -0.033 | -0.069 | 21.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 233 | GLU | -1 | -0.944 | -0.968 | 25.122 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 234 | ASN | 0 | -0.015 | 0.005 | 25.042 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 235 | GLY | 0 | 0.034 | 0.019 | 21.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 236 | ARG | 1 | 0.884 | 0.932 | 19.689 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 237 | GLY | 0 | 0.015 | 0.000 | 21.131 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 238 | SER | 0 | -0.079 | -0.037 | 21.423 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 239 | VAL | 0 | 0.052 | 0.026 | 22.697 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 240 | ARG | 1 | 0.885 | 0.948 | 23.755 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 241 | MET | 0 | -0.026 | -0.002 | 23.780 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 242 | ARG | 1 | 0.847 | 0.923 | 26.886 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 243 | ALA | 0 | -0.002 | 0.000 | 29.766 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 244 | VAL | 0 | 0.009 | 0.023 | 30.601 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 245 | TRP | 0 | -0.039 | -0.021 | 33.311 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 246 | LYS | 1 | 0.967 | 0.990 | 36.474 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 247 | LYS | 1 | 0.852 | 0.889 | 40.155 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 248 | GLU | -1 | -0.902 | -0.949 | 41.904 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 249 | ASP | -1 | -0.918 | -0.969 | 44.513 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 250 | GLY | 0 | 0.013 | 0.028 | 47.807 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 251 | ALA | 0 | -0.027 | -0.014 | 42.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 252 | VAL | 0 | -0.035 | -0.024 | 38.083 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 253 | VAL | 0 | -0.006 | 0.003 | 37.197 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 254 | ILE | 0 | -0.030 | -0.022 | 31.791 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 255 | SER | 0 | 0.034 | 0.014 | 33.254 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 256 | ALA | 0 | 0.002 | 0.010 | 29.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 257 | LEU | 0 | 0.044 | 0.011 | 25.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 258 | PRO | 0 | -0.036 | -0.005 | 24.696 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 259 | HIS | 0 | 0.099 | 0.036 | 16.390 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 260 | GLN | 0 | 0.013 | 0.021 | 14.072 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 261 | VAL | 0 | -0.014 | 0.016 | 19.678 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 262 | SER | 0 | 0.027 | 0.009 | 22.566 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 263 | GLY | 0 | 0.109 | 0.033 | 24.048 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 264 | ALA | 0 | 0.020 | 0.000 | 25.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 265 | ARG | 1 | 0.861 | 0.942 | 24.153 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 266 | VAL | 0 | 0.030 | -0.004 | 26.439 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 267 | LEU | 0 | 0.031 | 0.013 | 29.163 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 268 | GLU | -1 | -0.912 | -0.951 | 28.704 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 269 | GLN | 0 | -0.039 | -0.025 | 27.953 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 270 | ILE | 0 | 0.028 | 0.006 | 31.702 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 271 | ALA | 0 | 0.079 | 0.049 | 34.206 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 272 | ALA | 0 | -0.052 | -0.027 | 33.682 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 273 | GLN | 0 | -0.016 | -0.023 | 34.698 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 274 | MET | 0 | 0.044 | 0.032 | 37.669 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 275 | ARG | 1 | 0.912 | 0.963 | 33.513 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 276 | ASN | 0 | -0.067 | -0.010 | 38.318 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 277 | LYS | 1 | 0.955 | 0.997 | 41.095 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 278 | LYS | 1 | 0.825 | 0.893 | 40.006 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 279 | LEU | 0 | 0.075 | 0.026 | 38.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 280 | PRO | 0 | 0.030 | 0.014 | 42.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 281 | MET | 0 | -0.066 | -0.030 | 42.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 282 | VAL | 0 | -0.031 | -0.015 | 40.340 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 283 | ASP | -1 | -0.959 | -0.958 | 43.606 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 284 | ASP | -1 | -0.853 | -0.927 | 41.901 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 285 | LEU | 0 | -0.109 | -0.072 | 35.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 286 | ARG | 1 | 0.929 | 0.973 | 37.601 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 287 | ASP | -1 | -0.892 | -0.931 | 32.036 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 288 | GLU | -1 | -0.909 | -0.954 | 34.981 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 289 | SER | 0 | -0.016 | -0.026 | 31.272 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 290 | ASP | -1 | -0.856 | -0.950 | 33.357 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 291 | HIS | 0 | -0.108 | -0.050 | 31.200 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 292 | GLU | -1 | -0.972 | -0.956 | 33.064 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 293 | ASN | 0 | -0.043 | -0.052 | 34.409 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 294 | PRO | 0 | 0.003 | 0.014 | 28.945 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 295 | THR | 0 | -0.007 | -0.007 | 28.058 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 296 | ARG | 1 | 0.827 | 0.927 | 30.599 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 297 | LEU | 0 | -0.018 | -0.006 | 30.621 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 298 | VAL | 0 | -0.003 | 0.002 | 34.972 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 299 | ILE | 0 | -0.002 | -0.011 | 35.851 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 300 | VAL | 0 | 0.000 | -0.002 | 39.785 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 301 | PRO | 0 | 0.031 | 0.020 | 43.487 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 302 | ARG | 1 | 0.968 | 0.974 | 45.605 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 303 | SER | 0 | -0.013 | -0.012 | 48.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 304 | ASN | 0 | 0.017 | 0.009 | 49.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 305 | ARG | 1 | 0.882 | 0.936 | 51.422 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 306 | VAL | 0 | 0.030 | 0.029 | 46.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 307 | ASP | -1 | -0.865 | -0.940 | 46.911 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 308 | MET | 0 | 0.034 | 0.003 | 41.786 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 309 | ASP | -1 | -0.794 | -0.867 | 41.960 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 310 | GLN | 0 | 0.020 | 0.012 | 41.524 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 311 | VAL | 0 | -0.052 | -0.025 | 40.073 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 312 | MET | 0 | -0.011 | 0.000 | 37.658 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 313 | ASN | 0 | 0.000 | -0.012 | 36.905 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 314 | HIS | 0 | 0.021 | 0.028 | 37.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 315 | LEU | 0 | 0.017 | 0.005 | 34.720 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 316 | PHE | 0 | -0.007 | 0.000 | 32.324 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 317 | ALA | 0 | 0.029 | 0.018 | 31.715 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 318 | THR | 0 | -0.089 | -0.064 | 32.596 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 319 | THR | 0 | -0.082 | -0.044 | 30.246 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 320 | ASP | -1 | -0.809 | -0.900 | 24.815 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 321 | LEU | 0 | -0.032 | -0.019 | 26.986 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 322 | GLU | -1 | -0.788 | -0.910 | 28.480 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 323 | LYS | 1 | 0.932 | 0.987 | 20.650 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 324 | SER | 0 | -0.010 | -0.011 | 23.660 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 325 | TYR | 0 | -0.014 | -0.038 | 18.702 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 326 | ARG | 1 | 0.925 | 0.966 | 16.880 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 327 | ILE | 0 | 0.042 | 0.023 | 17.644 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 328 | ASN | 0 | -0.042 | -0.032 | 14.554 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 329 | LEU | 0 | 0.044 | 0.052 | 14.822 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 330 | ASN | 0 | -0.042 | -0.029 | 12.931 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 331 | MET | 0 | -0.007 | 0.002 | 11.839 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 332 | ILE | 0 | -0.012 | -0.001 | 9.887 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 333 | GLY | 0 | 0.024 | 0.005 | 13.458 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 334 | LEU | 0 | -0.010 | -0.016 | 16.710 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 335 | ASP | -1 | -0.900 | -0.946 | 19.088 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 336 | GLY | 0 | -0.057 | -0.030 | 15.912 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 337 | ARG | 1 | 0.921 | 0.964 | 15.777 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 338 | PRO | 0 | -0.022 | -0.015 | 13.376 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 339 | ALA | 0 | -0.003 | -0.007 | 15.014 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 340 | VAL | 0 | -0.035 | -0.008 | 16.667 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 341 | LYS | 1 | 0.849 | 0.914 | 17.875 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 342 | ASN | 0 | 0.062 | 0.028 | 20.447 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 343 | LEU | 0 | 0.012 | 0.020 | 22.263 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 344 | LEU | 0 | 0.047 | 0.016 | 23.670 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 345 | GLU | -1 | -0.885 | -0.922 | 22.833 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 346 | ILE | 0 | -0.017 | -0.017 | 18.600 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 347 | LEU | 0 | 0.035 | 0.005 | 21.051 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 348 | SER | 0 | -0.050 | -0.048 | 23.506 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 349 | GLU | -1 | -0.791 | -0.888 | 19.742 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 350 | TRP | 0 | -0.011 | 0.000 | 18.687 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 351 | LEU | 0 | 0.009 | 0.010 | 21.439 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 352 | VAL | 0 | -0.046 | -0.007 | 23.643 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 353 | PHE | 0 | 0.066 | 0.039 | 18.268 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 354 | ARG | 1 | 0.821 | 0.937 | 22.444 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 355 | ARG | 1 | 0.887 | 0.913 | 24.025 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 356 | ASP | -1 | -0.930 | -0.950 | 23.866 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 357 | THR | 0 | 0.002 | -0.025 | 22.326 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 358 | VAL | 0 | -0.005 | -0.007 | 24.516 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 359 | ARG | 1 | 0.864 | 0.929 | 27.970 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 360 | ARG | 1 | 0.840 | 0.905 | 22.738 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 361 | ARG | 1 | 0.809 | 0.907 | 27.417 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 362 | LEU | 0 | -0.046 | -0.026 | 28.792 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 363 | ASN | 0 | 0.082 | 0.025 | 31.306 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 364 | TYR | 0 | 0.001 | 0.036 | 29.362 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 365 | ARG | 1 | 0.811 | 0.904 | 31.552 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 366 | LEU | 0 | 0.010 | -0.016 | 34.494 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 367 | GLU | -1 | -0.889 | -0.955 | 34.410 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 368 | LYS | 1 | 0.893 | 0.953 | 32.292 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 369 | VAL | 0 | -0.026 | -0.002 | 36.994 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 370 | LEU | 0 | 0.004 | -0.014 | 38.719 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 371 | LYS | 1 | 0.952 | 0.992 | 37.061 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 372 | ARG | 1 | 0.837 | 0.919 | 41.529 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 373 | LEU | 0 | 0.007 | -0.003 | 43.522 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 374 | HIS | 0 | 0.000 | 0.006 | 44.604 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 375 | ILE | 0 | 0.000 | -0.003 | 44.466 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 376 | LEU | 0 | -0.057 | -0.027 | 47.192 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 377 | GLU | -1 | -0.925 | -0.960 | 49.384 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 378 | GLY | 0 | 0.048 | 0.019 | 50.405 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 379 | LEU | 0 | -0.018 | -0.020 | 50.170 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 380 | LEU | 0 | -0.032 | -0.022 | 53.195 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 381 | VAL | 0 | -0.003 | 0.002 | 54.957 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 382 | ALA | 0 | 0.040 | 0.039 | 56.256 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 383 | PHE | 0 | -0.037 | -0.023 | 54.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 384 | LEU | 0 | -0.066 | -0.035 | 59.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 385 | ASN | 0 | -0.045 | -0.030 | 60.032 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 386 | ILE | 0 | 0.025 | 0.001 | 60.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 387 | ASP | -1 | -0.922 | -0.952 | 62.772 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 388 | GLU | -1 | -0.862 | -0.934 | 63.777 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 389 | VAL | 0 | -0.016 | -0.005 | 58.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 390 | ILE | 0 | -0.030 | -0.023 | 61.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 391 | GLU | -1 | -0.951 | -0.977 | 63.005 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 392 | ILE | 0 | -0.011 | 0.007 | 59.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 393 | ILE | 0 | -0.035 | -0.020 | 57.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 394 | ARG | 1 | 0.819 | 0.905 | 61.144 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 395 | ASN | 0 | -0.064 | -0.046 | 64.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 396 | GLU | -1 | -0.953 | -0.949 | 61.603 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 397 | ASP | -1 | -0.953 | -0.973 | 60.910 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 398 | GLU | -1 | -0.916 | -0.958 | 54.402 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 399 | PRO | 0 | -0.005 | -0.004 | 56.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 400 | LYS | 1 | 0.946 | 0.976 | 48.011 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 401 | PRO | 0 | 0.020 | -0.007 | 52.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 402 | ALA | 0 | 0.061 | 0.037 | 54.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 403 | LEU | 0 | -0.029 | -0.029 | 55.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 404 | MET | 0 | -0.076 | -0.023 | 50.131 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 405 | SER | 0 | -0.028 | 0.013 | 54.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 406 | ARG | 1 | 0.970 | 0.994 | 57.213 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 407 | PHE | 0 | -0.034 | -0.018 | 57.022 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 408 | GLY | 0 | -0.047 | -0.016 | 55.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 409 | LEU | 0 | -0.020 | 0.004 | 52.059 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 410 | THR | 0 | 0.093 | 0.042 | 47.015 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 411 | GLU | -1 | -0.872 | -0.944 | 46.394 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 412 | THR | 0 | -0.198 | -0.107 | 44.139 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 413 | GLN | 0 | 0.011 | -0.018 | 46.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 414 | ALA | 0 | 0.052 | 0.021 | 49.013 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 415 | GLU | -1 | -0.895 | -0.947 | 46.351 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 416 | ALA | 0 | -0.002 | -0.009 | 47.678 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 417 | ILE | 0 | -0.039 | -0.022 | 49.312 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 418 | LEU | 0 | -0.014 | -0.008 | 52.014 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 419 | GLU | -1 | -0.955 | -0.962 | 48.272 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 420 | LEU | 0 | -0.080 | -0.020 | 51.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 421 | LYS | 1 | 0.954 | 0.968 | 52.250 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 422 | LEU | 0 | 0.091 | 0.030 | 55.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 423 | ARG | 1 | 0.906 | 0.953 | 55.631 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 424 | HIS | 0 | -0.002 | -0.017 | 52.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 425 | LEU | 0 | 0.059 | 0.033 | 56.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 426 | ALA | 0 | -0.033 | 0.007 | 59.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 427 | LYS | 1 | 1.048 | 0.996 | 59.830 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 428 | LEU | 0 | -0.022 | -0.015 | 58.592 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 429 | GLU | -1 | -0.930 | -0.972 | 54.044 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 430 | GLU | -1 | -0.800 | -0.871 | 55.274 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 431 | MET | 0 | -0.072 | -0.049 | 56.095 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 432 | LYS | 1 | 0.920 | 0.968 | 52.279 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 433 | ILE | 0 | 0.029 | 0.027 | 51.432 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 434 | ARG | 1 | 0.897 | 0.937 | 51.702 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 435 | GLY | 0 | 0.008 | 0.016 | 52.655 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 436 | GLU | -1 | -0.746 | -0.864 | 45.693 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 437 | GLN | 0 | 0.025 | 0.000 | 47.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 438 | SER | 0 | -0.032 | -0.015 | 48.854 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 439 | GLU | -1 | -1.002 | -1.011 | 46.423 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 440 | LEU | 0 | 0.003 | -0.002 | 42.609 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 441 | GLU | -1 | -0.909 | -0.943 | 44.523 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 442 | LYS | 1 | 0.928 | 0.967 | 46.293 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 443 | GLU | -1 | -0.843 | -0.929 | 39.358 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 444 | ARG | 1 | 0.901 | 0.958 | 41.458 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 445 | ASP | -1 | -0.834 | -0.909 | 41.848 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 446 | GLN | 0 | -0.046 | -0.013 | 40.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 447 | LEU | 0 | -0.024 | -0.021 | 35.975 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 448 | GLN | 0 | 0.070 | 0.024 | 38.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 449 | GLY | 0 | -0.015 | -0.008 | 40.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 450 | ILE | 0 | -0.067 | -0.048 | 35.546 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 451 | LEU | 0 | -0.024 | -0.015 | 33.333 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 452 | ALA | 0 | 0.013 | 0.027 | 36.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 453 | SER | 0 | -0.100 | -0.045 | 38.854 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 454 | GLU | -1 | -0.884 | -0.941 | 35.343 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 455 | ARG | 1 | 1.008 | 1.000 | 36.569 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 456 | LYS | 1 | 0.899 | 0.933 | 38.256 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 457 | MET | 0 | 0.048 | 0.035 | 32.557 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 458 | ASN | 0 | 0.080 | 0.052 | 33.676 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 459 | ASN | 0 | -0.046 | -0.031 | 34.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 460 | LEU | 0 | -0.030 | -0.003 | 32.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 461 | LEU | 0 | 0.059 | 0.021 | 28.325 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 462 | LYS | 1 | 0.898 | 0.968 | 30.536 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 463 | LYS | 1 | 0.968 | 0.988 | 32.218 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 464 | GLU | -1 | -0.828 | -0.904 | 29.283 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 465 | LEU | 0 | 0.042 | 0.021 | 25.918 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 466 | GLN | 0 | -0.038 | -0.033 | 28.908 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 467 | ALA | 0 | -0.016 | 0.000 | 31.474 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 468 | ASP | -1 | -0.831 | -0.931 | 25.985 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 469 | ALA | 0 | 0.012 | -0.004 | 27.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 470 | GLN | 0 | -0.045 | -0.022 | 28.464 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 471 | ALA | 0 | -0.050 | -0.023 | 28.843 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 472 | TYR | 0 | -0.075 | -0.055 | 23.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 473 | GLY | 0 | -0.034 | -0.002 | 25.071 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 474 | ASP | -1 | -0.847 | -0.915 | 25.079 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 475 | ASP | -1 | -0.888 | -0.942 | 28.061 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 476 | ARG | 1 | 0.712 | 0.821 | 25.813 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 477 | ARG | 1 | 0.902 | 0.969 | 22.757 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 478 | SER | 0 | 0.007 | -0.003 | 25.074 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 479 | PRO | 0 | -0.010 | 0.013 | 27.293 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 480 | LEU | 0 | -0.029 | -0.025 | 28.337 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 481 | GLN | 0 | -0.032 | -0.017 | 31.299 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 482 | GLU | -1 | -0.934 | -0.949 | 33.488 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 483 | ARG | 1 | 0.810 | 0.887 | 34.830 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 484 | GLU | -1 | -0.896 | -0.961 | 36.425 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 485 | GLU | -1 | -0.952 | -0.962 | 35.679 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 486 | ALA | 0 | 0.018 | 0.021 | 34.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 487 | LYS | 1 | 0.881 | 0.936 | 36.323 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 488 | ALA | 0 | -0.002 | 0.013 | 37.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 489 | MET | 0 | -0.012 | 0.012 | 39.063 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 490 | SER | 0 | -0.055 | -0.049 | 42.163 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 491 | GLU | -1 | -0.911 | -0.986 | 44.746 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 492 | HIS | 0 | -0.028 | -0.004 | 46.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 493 | ASP | -1 | -0.877 | -0.931 | 46.361 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 494 | MET | 0 | 0.030 | 0.018 | 41.887 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 495 | LEU | 0 | -0.074 | -0.028 | 47.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 496 | PRO | 0 | -0.054 | -0.043 | 51.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 497 | SER | 0 | 0.033 | 0.033 | 52.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 498 | GLU | -1 | -0.900 | -0.966 | 54.158 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 499 | PRO | 0 | -0.069 | -0.050 | 56.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 500 | VAL | 0 | -0.030 | 0.001 | 59.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 501 | THR | 0 | 0.018 | 0.034 | 62.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 502 | ILE | 0 | -0.013 | -0.007 | 63.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 503 | VAL | 0 | 0.014 | 0.001 | 67.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 504 | LEU | 0 | 0.026 | 0.033 | 70.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 505 | SER | 0 | -0.008 | -0.025 | 72.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 506 | GLN | 0 | 0.034 | -0.010 | 76.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 507 | MET | 0 | -0.030 | -0.009 | 79.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 508 | GLY | 0 | 0.038 | 0.041 | 76.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 509 | TRP | 0 | -0.056 | -0.022 | 75.353 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 510 | VAL | 0 | 0.006 | -0.001 | 69.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 511 | ARG | 1 | 0.883 | 0.917 | 71.138 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 512 | SER | 0 | 0.041 | 0.044 | 64.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 513 | ALA | 0 | -0.011 | -0.011 | 67.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 514 | LYS | 1 | 0.932 | 0.944 | 64.693 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 515 | GLY | 0 | 0.010 | 0.021 | 63.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 516 | NME | 0 | 0.014 | 0.028 | 61.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 530 | ACE | 0 | 0.007 | -0.008 | 80.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 531 | PHE | 0 | -0.029 | -0.024 | 74.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 532 | LYS | 1 | 0.916 | 0.969 | 75.880 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 533 | ALA | 0 | 0.028 | 0.029 | 71.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 534 | ALA | 0 | 0.013 | 0.000 | 69.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 535 | VAL | 0 | 0.007 | 0.027 | 64.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 536 | LYS | 1 | 0.979 | 0.986 | 58.430 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 537 | GLY | 0 | 0.037 | 0.010 | 58.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 538 | LYS | 1 | 0.976 | 0.979 | 51.945 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 539 | SER | 0 | 0.026 | -0.001 | 56.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 540 | ASN | 0 | 0.018 | 0.008 | 51.463 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 541 | GLN | 0 | -0.006 | 0.011 | 55.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 542 | PRO | 0 | 0.033 | 0.012 | 56.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 543 | VAL | 0 | 0.014 | -0.013 | 59.264 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 544 | VAL | 0 | -0.004 | -0.006 | 61.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 545 | PHE | 0 | -0.004 | -0.006 | 64.417 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 546 | VAL | 0 | 0.006 | -0.012 | 67.566 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 547 | ASP | -1 | -0.794 | -0.888 | 69.844 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 548 | SER | 0 | 0.020 | 0.001 | 73.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 549 | THR | 0 | -0.067 | -0.027 | 73.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 550 | GLY | 0 | 0.012 | 0.014 | 71.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 551 | ARG | 1 | 0.805 | 0.887 | 67.488 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 552 | SER | 0 | -0.009 | -0.006 | 63.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 553 | TYR | 0 | -0.059 | -0.045 | 65.077 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 554 | ALA | 0 | 0.026 | 0.021 | 60.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 555 | ILE | 0 | -0.016 | -0.008 | 62.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 556 | ASP | -1 | -0.808 | -0.902 | 58.436 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 557 | PRO | 0 | 0.005 | 0.006 | 59.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 558 | ILE | 0 | 0.006 | 0.007 | 56.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 559 | THR | 0 | -0.089 | -0.058 | 61.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 560 | LEU | 0 | -0.015 | -0.001 | 64.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 561 | PRO | 0 | 0.034 | 0.044 | 66.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 562 | SER | 0 | -0.016 | -0.009 | 68.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 563 | ALA | 0 | 0.033 | -0.001 | 69.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 564 | ARG | 1 | 0.919 | 0.946 | 70.559 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 565 | GLY | 0 | 0.014 | -0.004 | 74.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 566 | GLN | 0 | 0.012 | 0.032 | 69.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 567 | GLY | 0 | -0.005 | 0.004 | 73.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 568 | GLU | -1 | -0.832 | -0.942 | 70.026 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 569 | PRO | 0 | -0.009 | 0.010 | 73.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 570 | LEU | 0 | 0.031 | 0.002 | 70.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 571 | THR | 0 | 0.060 | 0.012 | 72.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 572 | GLY | 0 | -0.033 | -0.001 | 74.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 573 | LYS | 1 | 0.867 | 0.928 | 66.659 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 574 | LEU | 0 | -0.025 | 0.000 | 67.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 575 | THR | 0 | -0.038 | -0.013 | 70.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 576 | LEU | 0 | 0.029 | 0.029 | 71.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 577 | PRO | 0 | 0.006 | 0.000 | 73.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 578 | PRO | 0 | 0.014 | -0.008 | 76.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 579 | GLY | 0 | 0.007 | 0.014 | 80.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 580 | ALA | 0 | -0.022 | 0.008 | 76.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 581 | THR | 0 | -0.012 | 0.001 | 77.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 582 | VAL | 0 | -0.002 | -0.014 | 72.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 583 | ASP | -1 | -0.890 | -0.941 | 74.268 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 584 | HIS | 0 | -0.001 | -0.008 | 70.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 585 | MET | 0 | -0.056 | -0.035 | 67.385 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 586 | LEU | 0 | -0.008 | -0.008 | 63.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 587 | MET | 0 | -0.046 | -0.008 | 60.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 588 | GLU | -1 | -0.893 | -0.943 | 59.458 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 589 | SER | 0 | -0.035 | -0.014 | 53.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 590 | ASP | -1 | -0.871 | -0.954 | 52.386 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 591 | ASP | -1 | -0.862 | -0.940 | 51.665 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 592 | GLN | 0 | -0.050 | -0.008 | 53.762 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 593 | LYS | 1 | 0.934 | 0.964 | 55.112 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 594 | LEU | 0 | 0.021 | 0.009 | 58.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 595 | LEU | 0 | 0.010 | 0.004 | 62.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 596 | MET | 0 | 0.002 | 0.019 | 65.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 597 | ALA | 0 | 0.032 | -0.012 | 67.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 598 | SER | 0 | -0.004 | 0.008 | 71.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 599 | ASP | -1 | -0.736 | -0.871 | 74.566 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 600 | ALA | 0 | 0.045 | 0.011 | 77.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 601 | GLY | 0 | -0.031 | -0.009 | 76.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 602 | TYR | 0 | -0.085 | -0.057 | 72.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 603 | GLY | 0 | 0.088 | 0.015 | 69.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 604 | PHE | 0 | -0.048 | -0.031 | 63.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 605 | VAL | 0 | 0.067 | 0.046 | 60.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 606 | CYS | 0 | -0.051 | -0.026 | 59.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 607 | THR | 0 | -0.011 | 0.010 | 54.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 608 | PHE | 0 | 0.032 | 0.013 | 57.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 609 | ASN | 0 | 0.148 | 0.069 | 52.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 610 | ASP | -1 | -0.951 | -0.963 | 56.719 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 611 | LEU | 0 | -0.057 | -0.056 | 59.148 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 612 | VAL | 0 | -0.023 | 0.004 | 56.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 613 | ALA | 0 | -0.023 | 0.001 | 59.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 614 | ARG | 1 | 0.928 | 0.945 | 55.227 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 615 | ASN | 0 | -0.031 | 0.000 | 60.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 616 | ARG | 1 | 0.968 | 0.962 | 62.814 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 617 | ALA | 0 | -0.022 | -0.012 | 66.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 618 | GLY | 0 | 0.111 | 0.071 | 66.024 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 619 | LYS | 1 | 0.870 | 0.937 | 60.305 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 620 | ALA | 0 | -0.028 | -0.011 | 65.504 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 621 | LEU | 0 | -0.004 | 0.008 | 63.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 622 | ILE | 0 | 0.023 | 0.022 | 66.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 623 | THR | 0 | -0.047 | -0.030 | 69.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 624 | LEU | 0 | 0.015 | 0.005 | 72.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 625 | PRO | 0 | -0.079 | -0.039 | 75.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 626 | GLU | -1 | -0.911 | -0.957 | 78.632 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 627 | ASN | 0 | -0.032 | -0.031 | 82.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 628 | ALA | 0 | 0.002 | 0.035 | 78.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 629 | HIS | 0 | -0.009 | -0.027 | 78.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 630 | VAL | 0 | -0.049 | -0.023 | 71.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 631 | MET | 0 | -0.033 | -0.004 | 72.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 632 | PRO | 0 | -0.010 | -0.017 | 72.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 633 | PRO | 0 | -0.022 | 0.001 | 67.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 634 | VAL | 0 | 0.000 | -0.001 | 66.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 635 | VAL | 0 | 0.036 | 0.008 | 61.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 636 | ILE | 0 | -0.064 | -0.024 | 61.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 637 | GLU | -1 | -0.928 | -0.975 | 60.177 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 638 | ASP | -1 | -0.766 | -0.862 | 58.823 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 639 | ALA | 0 | -0.089 | -0.030 | 57.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 640 | SER | 0 | -0.081 | -0.061 | 59.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 641 | ASP | -1 | -0.835 | -0.917 | 61.746 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 642 | MET | 0 | -0.051 | -0.020 | 64.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 643 | LEU | 0 | -0.003 | 0.013 | 68.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 644 | LEU | 0 | -0.012 | -0.030 | 69.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 645 | ALA | 0 | 0.007 | 0.012 | 73.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 646 | ILE | 0 | -0.004 | -0.019 | 76.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 647 | THR | 0 | -0.050 | -0.003 | 79.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 648 | GLN | 0 | 0.049 | 0.014 | 82.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 649 | ALA | 0 | 0.000 | 0.004 | 85.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 650 | GLY | 0 | 0.022 | 0.011 | 85.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 651 | ARG | 1 | 0.874 | 0.930 | 82.770 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 652 | MET | 0 | 0.023 | 0.012 | 78.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 653 | LEU | 0 | -0.049 | -0.021 | 75.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 654 | MET | 0 | -0.032 | 0.000 | 71.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 655 | PHE | 0 | 0.041 | 0.008 | 68.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 656 | PRO | 0 | 0.093 | 0.033 | 64.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 657 | VAL | 0 | 0.024 | 0.002 | 62.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 658 | SER | 0 | -0.001 | -0.001 | 60.338 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 659 | ASP | -1 | -0.956 | -0.974 | 62.433 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 660 | LEU | 0 | -0.118 | -0.047 | 65.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 661 | PRO | 0 | -0.030 | -0.018 | 62.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 662 | GLN | 0 | 0.020 | 0.021 | 55.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 663 | LEU | 0 | -0.063 | -0.027 | 60.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 664 | SER | 0 | 0.031 | 0.011 | 58.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 665 | LYS | 1 | 0.908 | 0.948 | 61.068 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 666 | GLY | 0 | -0.007 | 0.007 | 64.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 667 | LYS | 1 | 0.965 | 0.978 | 67.875 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 668 | GLY | 0 | 0.049 | 0.043 | 67.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 669 | ASN | 0 | -0.042 | -0.027 | 67.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 670 | LYS | 1 | 0.925 | 0.953 | 70.244 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 671 | ILE | 0 | 0.025 | 0.037 | 70.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 672 | ILE | 0 | 0.020 | 0.001 | 73.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 673 | ASN | 0 | -0.120 | -0.061 | 76.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 674 | ILE | 0 | 0.042 | 0.029 | 79.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 675 | PRO | 0 | -0.031 | -0.006 | 81.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 676 | SER | 0 | 0.024 | -0.004 | 81.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 677 | ALA | 0 | 0.060 | 0.029 | 83.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 678 | GLU | -1 | -0.948 | -0.981 | 86.683 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 679 | ALA | 0 | 0.002 | 0.014 | 82.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 680 | ALA | 0 | 0.034 | 0.032 | 84.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 681 | ARG | 1 | 0.836 | 0.915 | 85.618 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 682 | GLY | 0 | 0.015 | 0.012 | 86.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 683 | GLU | -1 | -0.978 | -0.983 | 87.534 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 684 | ASP | -1 | -0.861 | -0.936 | 85.192 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 685 | GLY | 0 | 0.044 | 0.004 | 82.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 686 | LEU | 0 | -0.082 | -0.030 | 74.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 687 | ALA | 0 | 0.026 | 0.006 | 79.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 688 | GLN | 0 | -0.030 | -0.030 | 77.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 689 | LEU | 0 | 0.001 | -0.006 | 70.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 690 | TYR | 0 | 0.010 | 0.007 | 71.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 691 | VAL | 0 | 0.016 | 0.006 | 65.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 692 | LEU | 0 | -0.025 | -0.006 | 67.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 693 | PRO | 0 | 0.090 | 0.043 | 65.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 694 | PRO | 0 | 0.015 | 0.020 | 64.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 695 | GLN | 0 | -0.071 | -0.051 | 67.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 696 | SER | 0 | 0.020 | 0.028 | 70.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 697 | THR | 0 | -0.045 | -0.029 | 72.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 698 | LEU | 0 | 0.045 | 0.035 | 74.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 699 | THR | 0 | -0.047 | -0.017 | 77.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 700 | ILE | 0 | 0.010 | 0.001 | 80.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 701 | HIS | 0 | -0.095 | -0.056 | 81.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 702 | VAL | 0 | 0.040 | 0.021 | 84.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 703 | GLY | 0 | 0.049 | 0.032 | 87.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 704 | LYS | 1 | 0.897 | 0.926 | 88.353 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 705 | ARG | 1 | 0.933 | 0.980 | 89.701 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 706 | LYS | 1 | 0.976 | 0.984 | 85.178 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 707 | ILE | 0 | -0.016 | 0.001 | 84.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 708 | LYS | 1 | 0.947 | 0.973 | 81.607 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 709 | LEU | 0 | -0.017 | -0.013 | 79.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 710 | ARG | 1 | 0.928 | 0.966 | 78.164 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 711 | PRO | 0 | 0.072 | 0.023 | 73.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 712 | GLU | -1 | -0.912 | -0.951 | 75.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 713 | GLU | -1 | -0.863 | -0.939 | 78.758 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 714 | LEU | 0 | 0.021 | 0.005 | 74.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 715 | GLN | 0 | 0.024 | 0.018 | 73.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 716 | LYS | 1 | 0.871 | 0.948 | 76.577 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 717 | VAL | 0 | -0.047 | -0.016 | 77.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 718 | THR | 0 | -0.019 | -0.003 | 72.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 719 | GLY | 0 | -0.022 | -0.022 | 74.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 720 | GLU | -1 | -0.910 | -0.947 | 72.589 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 721 | ARG | 1 | 0.955 | 0.989 | 67.672 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 722 | GLY | 0 | -0.055 | -0.023 | 72.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 723 | ARG | 1 | 0.924 | 0.958 | 75.228 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 724 | ARG | 1 | 0.981 | 0.984 | 78.235 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 725 | GLY | 0 | 0.056 | 0.040 | 79.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 726 | THR | 0 | 0.009 | 0.003 | 80.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 727 | LEU | 0 | -0.067 | -0.019 | 83.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 728 | MET | 0 | 0.027 | 0.012 | 83.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 729 | ARG | 1 | 0.943 | 0.959 | 86.723 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 730 | GLY | 0 | -0.020 | -0.007 | 89.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 731 | LEU | 0 | -0.008 | 0.006 | 82.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 732 | GLN | 0 | -0.016 | -0.029 | 86.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 733 | ARG | 1 | 0.924 | 0.949 | 86.828 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 734 | ILE | 0 | -0.004 | 0.019 | 81.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 735 | ASP | -1 | -0.853 | -0.927 | 83.550 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 736 | ARG | 1 | 0.885 | 0.946 | 77.004 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 737 | VAL | 0 | 0.014 | 0.003 | 76.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 738 | GLU | -1 | -0.926 | -0.945 | 76.089 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 739 | ILE | 0 | 0.029 | -0.006 | 70.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 740 | ASP | -1 | -0.887 | -0.940 | 73.702 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 741 | NME | 0 | 0.007 | -0.002 | 71.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |