![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: VKRQ1
Calculation Name: 2WTB-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2WTB
Chain ID: A
UniProt ID: Q9ZPI5
Base Structure: X-ray
Registration Date: 2023-09-26
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 | 680 |
LigandCharge | DGL=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -14915931.202003 |
---|---|
FMO2-HF: Nuclear repulsion | 14656350.954526 |
FMO2-HF: Total energy | -259580.247477 |
FMO2-MP2: Total energy | -260333.049678 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F039571/ligand_interaction/ligand_F039571.png)
Ligand Interaction
![ligand interaction](./Kdata/F039571/ligand_interaction/ligand_interaction_F039571.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:7:GLY)
Summations of interaction energy for
fragment #1(A:7:GLY)
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. |
-10.377 | -7.244 | 8.77 | -5.848 | -6.057 | -0.028 |
Interaction energy analysis for fragmet #1(A:7:GLY)
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 | 9 | THR | 0 | -0.030 | -0.038 | 3.854 | -0.528 | 1.555 | -0.013 | -1.253 | -0.818 | 0.005 |
4 | A | 10 | VAL | 0 | -0.015 | -0.010 | 7.197 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 11 | MET | 0 | -0.007 | 0.006 | 10.415 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 12 | GLU | -1 | -0.928 | -0.951 | 13.914 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 13 | VAL | 0 | -0.029 | -0.015 | 17.137 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 14 | GLY | 0 | 0.002 | 0.019 | 20.630 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 15 | GLY | 0 | 0.042 | 0.008 | 23.411 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 16 | ASP | -1 | -0.799 | -0.895 | 24.802 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 17 | GLY | 0 | 0.038 | 0.029 | 25.497 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 18 | VAL | 0 | -0.065 | -0.020 | 21.099 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 19 | ALA | 0 | 0.058 | 0.018 | 18.206 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 20 | VAL | 0 | -0.022 | -0.011 | 15.127 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 21 | ILE | 0 | 0.020 | 0.012 | 10.794 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 22 | THR | 0 | -0.025 | -0.015 | 9.372 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 23 | LEU | 0 | 0.026 | 0.002 | 7.099 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 24 | ILE | 0 | -0.050 | -0.032 | 4.793 | 0.490 | 0.600 | -0.001 | -0.037 | -0.072 | 0.000 |
19 | A | 25 | ASN | 0 | 0.048 | 0.025 | 2.095 | -6.231 | -6.583 | 8.616 | -4.353 | -3.912 | -0.034 |
20 | A | 26 | PRO | 0 | -0.031 | -0.002 | 3.131 | -0.496 | -0.919 | 0.062 | 0.463 | -0.102 | 0.000 |
21 | A | 27 | PRO | 0 | 0.036 | 0.008 | 6.277 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 28 | VAL | 0 | -0.031 | -0.025 | 8.356 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 29 | ASN | 0 | -0.001 | 0.001 | 5.750 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 30 | SER | 0 | 0.005 | 0.025 | 6.608 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 31 | LEU | 0 | 0.000 | 0.003 | 5.800 | -0.564 | -0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 32 | SER | 0 | 0.040 | 0.012 | 2.623 | 0.097 | 0.855 | 0.060 | -0.434 | -0.383 | 0.001 |
27 | A | 33 | PHE | 0 | 0.015 | -0.007 | 5.559 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 34 | ASP | -1 | -0.865 | -0.917 | 3.373 | -3.904 | -3.412 | 0.016 | -0.120 | -0.388 | 0.000 |
29 | A | 35 | VAL | 0 | -0.029 | -0.002 | 3.433 | 0.300 | 0.610 | 0.031 | -0.091 | -0.251 | 0.000 |
30 | A | 36 | LEU | 0 | -0.006 | -0.002 | 5.956 | 0.843 | 0.843 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 37 | TYR | 0 | 0.036 | 0.008 | 8.806 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 38 | ASN | 0 | -0.046 | -0.028 | 6.534 | 0.599 | 0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 39 | LEU | 0 | 0.014 | 0.011 | 9.271 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 40 | LYS | 1 | 0.844 | 0.900 | 11.282 | 0.920 | 0.920 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 41 | SER | 0 | 0.003 | -0.005 | 12.394 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 42 | ASN | 0 | 0.026 | 0.019 | 11.343 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 43 | TYR | 0 | 0.048 | 0.000 | 14.596 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 44 | GLU | -1 | -0.830 | -0.890 | 17.286 | -0.569 | -0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 45 | GLU | -1 | -0.883 | -0.908 | 16.652 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 46 | ALA | 0 | 0.020 | -0.005 | 18.635 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 47 | LEU | 0 | -0.044 | -0.025 | 20.366 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 48 | SER | 0 | -0.027 | -0.020 | 22.547 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 49 | ARG | 1 | 0.775 | 0.865 | 19.603 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 50 | ASN | 0 | -0.007 | -0.015 | 24.499 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 51 | ASP | -1 | -0.841 | -0.897 | 24.264 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 52 | VAL | 0 | -0.035 | -0.004 | 21.234 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 53 | LYS | 1 | 0.844 | 0.910 | 24.391 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 54 | ALA | 0 | -0.009 | -0.012 | 23.697 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 55 | ILE | 0 | -0.009 | 0.003 | 17.248 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 56 | VAL | 0 | -0.016 | -0.006 | 17.287 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 57 | ILE | 0 | 0.030 | 0.025 | 12.511 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 58 | THR | 0 | 0.012 | -0.014 | 13.201 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 59 | GLY | 0 | 0.038 | 0.029 | 9.904 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 60 | ALA | 0 | 0.001 | 0.003 | 8.343 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 61 | LYS | 1 | 0.890 | 0.927 | 10.184 | -0.865 | -0.865 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 62 | GLY | 0 | 0.082 | 0.055 | 12.893 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 63 | ARG | 1 | 0.844 | 0.910 | 11.261 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 64 | PHE | 0 | -0.016 | 0.020 | 11.066 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 65 | SER | 0 | 0.017 | -0.016 | 9.067 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 66 | GLY | 0 | -0.028 | -0.017 | 10.462 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 67 | GLY | 0 | 0.013 | 0.017 | 11.343 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 68 | PHE | 0 | 0.031 | 0.027 | 9.691 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 69 | ASP | -1 | -0.828 | -0.904 | 4.186 | 0.399 | 0.554 | -0.001 | -0.023 | -0.131 | 0.000 |
64 | A | 70 | ILE | 0 | -0.083 | -0.043 | 7.636 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 83 | GLU | -1 | -0.806 | -0.917 | 13.997 | -0.634 | -0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 84 | PRO | 0 | -0.018 | -0.011 | 15.446 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 85 | LYS | 1 | 0.927 | 0.961 | 18.995 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 86 | ALA | 0 | 0.003 | -0.005 | 19.204 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 87 | GLY | 0 | 0.074 | 0.031 | 18.778 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 88 | TYR | 0 | -0.029 | 0.010 | 15.957 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 89 | ILE | 0 | -0.003 | -0.019 | 11.813 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 90 | SER | 0 | -0.002 | 0.004 | 15.986 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 91 | ILE | 0 | -0.015 | 0.011 | 18.419 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 92 | ASP | -1 | -0.817 | -0.917 | 19.546 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 93 | ILE | 0 | -0.066 | -0.033 | 14.215 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 94 | ILE | 0 | -0.003 | -0.004 | 14.051 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 95 | THR | 0 | -0.020 | -0.028 | 18.095 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 96 | ASP | -1 | -0.850 | -0.908 | 21.925 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 97 | LEU | 0 | -0.047 | -0.012 | 17.547 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 98 | LEU | 0 | -0.023 | -0.006 | 16.299 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 99 | GLU | -1 | -0.729 | -0.853 | 20.273 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 100 | ALA | 0 | -0.022 | 0.000 | 22.847 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 101 | ALA | 0 | -0.002 | 0.023 | 22.371 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 102 | ARG | 1 | 0.938 | 0.950 | 24.525 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 103 | LYS | 1 | 0.826 | 0.904 | 23.748 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 104 | PRO | 0 | -0.020 | 0.006 | 23.875 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 105 | SER | 0 | 0.037 | 0.031 | 19.556 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 106 | VAL | 0 | -0.064 | -0.023 | 20.285 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 107 | ALA | 0 | 0.035 | 0.018 | 17.507 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 108 | ALA | 0 | 0.002 | -0.005 | 17.054 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 109 | ILE | 0 | -0.002 | -0.001 | 16.507 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 110 | ASP | -1 | -0.763 | -0.902 | 16.087 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 111 | GLY | 0 | 0.010 | 0.012 | 15.721 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 112 | LEU | 0 | -0.123 | -0.077 | 12.897 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 113 | ALA | 0 | 0.062 | 0.033 | 14.569 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 114 | LEU | 0 | -0.055 | -0.027 | 14.661 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 115 | GLY | 0 | 0.072 | 0.028 | 14.572 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 116 | GLY | 0 | 0.026 | 0.006 | 13.575 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 117 | GLY | 0 | -0.002 | 0.001 | 12.629 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 118 | LEU | 0 | -0.034 | -0.021 | 13.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 119 | GLU | -1 | -0.767 | -0.891 | 16.588 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 120 | LEU | 0 | 0.033 | 0.021 | 11.923 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 121 | ALA | 0 | 0.004 | -0.006 | 15.844 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 122 | MET | 0 | -0.080 | -0.045 | 17.478 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 123 | ALA | 0 | 0.019 | 0.033 | 18.639 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 124 | CYS | 0 | -0.056 | -0.002 | 18.005 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 125 | HIS | 0 | 0.041 | 0.004 | 20.777 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 126 | ALA | 0 | -0.046 | -0.014 | 23.153 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 127 | ARG | 1 | 0.771 | 0.879 | 20.393 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 128 | ILE | 0 | 0.029 | 0.022 | 21.688 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 129 | SER | 0 | -0.035 | -0.033 | 20.841 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 130 | ALA | 0 | 0.032 | 0.032 | 20.777 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 131 | PRO | 0 | -0.008 | -0.017 | 22.487 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 132 | ALA | 0 | 0.031 | 0.028 | 24.529 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 133 | ALA | 0 | -0.044 | -0.009 | 19.631 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 134 | GLN | 0 | -0.011 | -0.010 | 19.496 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 135 | LEU | 0 | 0.052 | 0.031 | 18.970 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 136 | GLY | 0 | 0.040 | 0.010 | 19.613 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 137 | LEU | 0 | 0.030 | 0.024 | 19.005 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 138 | PRO | 0 | -0.003 | -0.003 | 17.870 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 139 | GLU | -1 | -0.772 | -0.897 | 16.456 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 140 | LEU | 0 | 0.031 | 0.027 | 19.796 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 141 | GLN | 0 | -0.066 | -0.031 | 21.956 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 142 | LEU | 0 | -0.036 | -0.020 | 16.639 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 143 | GLY | 0 | -0.012 | -0.015 | 20.786 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 144 | VAL | 0 | -0.018 | -0.007 | 17.631 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 145 | ILE | 0 | -0.018 | -0.028 | 20.456 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 146 | PRO | 0 | -0.023 | -0.021 | 19.004 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 147 | GLY | 0 | 0.035 | 0.015 | 18.095 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 148 | PHE | 0 | -0.063 | -0.036 | 12.743 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 149 | GLY | 0 | 0.101 | 0.039 | 17.710 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 150 | GLY | 0 | -0.024 | -0.018 | 20.514 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 151 | THR | 0 | -0.110 | -0.092 | 21.864 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 152 | GLN | 0 | 0.003 | 0.003 | 24.596 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 153 | ARG | 1 | 0.807 | 0.876 | 20.029 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 154 | LEU | 0 | 0.028 | 0.020 | 24.169 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 155 | PRO | 0 | -0.024 | -0.030 | 25.886 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 156 | ARG | 1 | 0.839 | 0.919 | 28.506 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 157 | LEU | 0 | -0.015 | 0.011 | 24.522 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 158 | VAL | 0 | -0.002 | 0.001 | 27.150 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 159 | GLY | 0 | 0.059 | 0.046 | 29.871 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 160 | LEU | 0 | -0.005 | -0.004 | 31.793 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 161 | THR | 0 | 0.026 | 0.000 | 32.298 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 162 | LYS | 1 | 0.827 | 0.917 | 29.522 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 163 | ALA | 0 | 0.048 | 0.018 | 28.126 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 164 | LEU | 0 | -0.006 | -0.004 | 28.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 165 | GLU | -1 | -0.867 | -0.915 | 30.000 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 166 | MET | 0 | 0.010 | 0.012 | 24.447 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 167 | ILE | 0 | 0.019 | 0.015 | 24.301 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 168 | LEU | 0 | -0.020 | -0.010 | 25.879 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 169 | THR | 0 | -0.065 | -0.046 | 28.645 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 170 | SER | 0 | -0.053 | -0.028 | 23.299 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 171 | LYS | 1 | 0.888 | 0.953 | 23.625 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 172 | PRO | 0 | -0.039 | -0.028 | 21.052 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 173 | VAL | 0 | 0.010 | 0.027 | 23.334 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 174 | LYS | 1 | 0.875 | 0.927 | 23.797 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 175 | ALA | 0 | 0.043 | 0.016 | 22.875 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 176 | GLU | -1 | -0.840 | -0.929 | 24.927 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 177 | GLU | -1 | -0.843 | -0.921 | 28.619 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 178 | GLY | 0 | 0.029 | 0.005 | 26.105 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 179 | HIS | 0 | -0.085 | -0.040 | 27.171 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 180 | SER | 0 | -0.052 | -0.039 | 28.804 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 181 | LEU | 0 | -0.017 | -0.013 | 28.738 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 182 | GLY | 0 | 0.005 | 0.002 | 29.939 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 183 | LEU | 0 | -0.046 | -0.014 | 22.638 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 184 | ILE | 0 | -0.031 | -0.016 | 22.002 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 185 | ASP | -1 | -0.781 | -0.882 | 25.549 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 186 | ALA | 0 | -0.018 | -0.020 | 26.276 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 187 | VAL | 0 | -0.008 | 0.002 | 25.579 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 188 | VAL | 0 | -0.002 | 0.011 | 24.452 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 189 | PRO | 0 | 0.038 | 0.013 | 24.796 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 190 | PRO | 0 | 0.027 | -0.002 | 20.361 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 191 | ALA | 0 | -0.023 | -0.005 | 21.251 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 192 | GLU | -1 | -0.877 | -0.945 | 23.429 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 193 | LEU | 0 | -0.040 | 0.008 | 18.268 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 194 | VAL | 0 | 0.069 | 0.020 | 17.404 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 195 | THR | 0 | 0.003 | 0.003 | 20.348 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 196 | THR | 0 | -0.007 | -0.017 | 23.856 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 197 | ALA | 0 | -0.002 | 0.004 | 20.853 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 198 | ARG | 1 | 0.887 | 0.932 | 20.500 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 199 | ARG | 1 | 0.847 | 0.897 | 23.542 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 200 | TRP | 0 | 0.072 | 0.024 | 25.492 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 201 | ALA | 0 | 0.027 | 0.007 | 23.441 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 202 | LEU | 0 | 0.024 | -0.001 | 25.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 203 | ASP | -1 | -0.814 | -0.876 | 28.582 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 204 | ILE | 0 | -0.016 | 0.012 | 26.218 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 205 | VAL | 0 | 0.009 | 0.010 | 27.700 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 206 | GLY | 0 | -0.066 | -0.027 | 30.452 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 207 | ARG | 1 | 0.887 | 0.937 | 33.114 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 208 | ARG | 1 | 0.890 | 0.946 | 31.515 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 209 | LYS | 1 | 0.829 | 0.936 | 30.114 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 210 | PRO | 0 | 0.027 | 0.006 | 32.185 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 211 | TRP | 0 | 0.020 | 0.011 | 26.479 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 212 | VAL | 0 | -0.014 | -0.012 | 28.396 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 213 | SER | 0 | 0.037 | 0.030 | 26.341 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 214 | SER | 0 | 0.002 | -0.013 | 24.050 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 215 | VAL | 0 | -0.035 | -0.020 | 25.324 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 216 | SER | 0 | -0.038 | -0.030 | 27.190 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 217 | LYS | 1 | 0.847 | 0.931 | 29.927 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 218 | THR | 0 | 0.034 | 0.000 | 31.769 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 219 | ASP | -1 | -0.815 | -0.888 | 34.722 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 220 | LYS | 1 | 0.796 | 0.897 | 31.887 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 221 | LEU | 0 | -0.044 | -0.016 | 32.249 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 222 | PRO | 0 | 0.006 | 0.007 | 35.938 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 223 | PRO | 0 | 0.043 | 0.025 | 39.188 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 224 | LEU | 0 | 0.017 | 0.012 | 39.713 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 225 | GLY | 0 | 0.012 | -0.001 | 40.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 226 | GLU | -1 | -0.812 | -0.913 | 41.751 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 227 | ALA | 0 | -0.019 | -0.011 | 37.015 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 228 | ARG | 1 | 0.887 | 0.922 | 37.860 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 229 | GLU | -1 | -0.922 | -0.932 | 39.687 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 230 | ILE | 0 | 0.001 | -0.008 | 36.325 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 231 | LEU | 0 | -0.002 | -0.009 | 32.924 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 232 | THR | 0 | -0.017 | -0.014 | 36.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 233 | PHE | 0 | -0.009 | -0.005 | 39.060 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 234 | ALA | 0 | -0.008 | 0.002 | 34.341 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 235 | LYS | 1 | 0.857 | 0.925 | 34.352 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 236 | ALA | 0 | 0.015 | 0.012 | 36.458 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 237 | GLN | 0 | -0.040 | -0.032 | 36.918 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 238 | THR | 0 | -0.018 | -0.024 | 32.755 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 239 | LEU | 0 | 0.015 | 0.005 | 35.606 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 240 | LYS | 1 | 0.918 | 0.968 | 37.872 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 241 | ARG | 1 | 0.889 | 0.940 | 36.062 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 242 | ALA | 0 | 0.004 | 0.009 | 32.617 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 243 | PRO | 0 | 0.024 | 0.022 | 34.197 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 244 | ASN | 0 | -0.051 | -0.026 | 33.413 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 245 | MET | 0 | -0.021 | 0.000 | 29.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 246 | LYS | 1 | 1.009 | 0.998 | 30.574 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 247 | HIS | 0 | 0.041 | 0.011 | 24.992 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 248 | PRO | 0 | 0.017 | 0.005 | 27.396 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 249 | LEU | 0 | -0.014 | -0.001 | 28.858 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 250 | MET | 0 | 0.036 | 0.023 | 27.880 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 251 | CYS | 0 | 0.002 | 0.007 | 25.789 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 252 | LEU | 0 | -0.011 | -0.011 | 27.447 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 253 | ASP | -1 | -0.870 | -0.930 | 30.894 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 254 | ALA | 0 | -0.002 | 0.003 | 26.827 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 255 | ILE | 0 | -0.011 | -0.007 | 27.643 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 256 | GLU | -1 | -0.817 | -0.886 | 30.006 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 257 | VAL | 0 | 0.012 | 0.001 | 31.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 258 | GLY | 0 | 0.066 | 0.028 | 30.325 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 259 | ILE | 0 | -0.096 | -0.033 | 31.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 260 | VAL | 0 | -0.053 | -0.034 | 34.350 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 261 | SER | 0 | -0.041 | -0.019 | 34.087 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 262 | GLY | 0 | 0.017 | 0.026 | 33.664 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 263 | PRO | 0 | 0.035 | 0.006 | 28.922 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 264 | ARG | 1 | 0.819 | 0.886 | 25.635 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 265 | ALA | 0 | 0.070 | 0.041 | 28.131 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 266 | GLY | 0 | 0.022 | 0.010 | 28.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 267 | LEU | 0 | -0.024 | -0.005 | 22.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 268 | GLU | -1 | -0.881 | -0.941 | 24.248 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 269 | LYS | 1 | 0.829 | 0.900 | 26.295 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 270 | GLU | -1 | -0.783 | -0.862 | 21.156 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 271 | ALA | 0 | 0.036 | 0.020 | 21.523 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 272 | GLU | -1 | -0.787 | -0.867 | 22.573 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 273 | VAL | 0 | 0.005 | 0.014 | 24.571 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 274 | ALA | 0 | 0.031 | 0.009 | 19.402 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 275 | SER | 0 | -0.057 | -0.027 | 20.851 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 276 | GLN | 0 | -0.114 | -0.076 | 22.025 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 277 | VAL | 0 | 0.019 | 0.015 | 22.059 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 278 | VAL | 0 | 0.033 | 0.017 | 18.689 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 279 | LYS | 1 | 0.888 | 0.938 | 21.857 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 280 | LEU | 0 | -0.014 | 0.003 | 24.897 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 281 | ASP | -1 | -0.799 | -0.893 | 25.775 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 282 | THR | 0 | 0.003 | 0.001 | 27.181 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 283 | THR | 0 | -0.081 | -0.030 | 23.022 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 284 | LYS | 1 | 0.860 | 0.919 | 22.281 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 285 | GLY | 0 | 0.026 | 0.021 | 23.056 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 286 | LEU | 0 | -0.015 | -0.010 | 23.172 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 287 | ILE | 0 | 0.014 | 0.008 | 17.714 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 288 | HIS | 0 | -0.046 | -0.024 | 19.851 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 289 | VAL | 0 | 0.012 | 0.017 | 22.200 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 290 | PHE | 0 | 0.000 | -0.002 | 14.499 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 291 | PHE | 0 | -0.008 | -0.017 | 13.748 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 292 | SER | 0 | -0.018 | -0.014 | 19.088 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 293 | GLN | 0 | -0.032 | -0.034 | 21.886 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 294 | ARG | 1 | 0.852 | 0.938 | 13.886 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 295 | GLY | 0 | -0.005 | 0.007 | 20.190 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 296 | THR | 0 | -0.010 | -0.006 | 22.000 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 297 | ALA | 0 | -0.043 | -0.015 | 22.778 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 298 | LYS | 1 | 0.935 | 0.974 | 18.421 | -0.448 | -0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 299 | VAL | 0 | 0.024 | -0.003 | 24.324 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 300 | PRO | 0 | 0.031 | 0.014 | 26.572 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 301 | GLY | 0 | 0.039 | 0.021 | 28.437 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 302 | VAL | 0 | -0.060 | -0.024 | 29.406 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 303 | THR | 0 | 0.003 | 0.000 | 24.873 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 304 | ASP | -1 | -0.840 | -0.918 | 24.641 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 305 | ARG | 1 | 0.856 | 0.915 | 25.846 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 306 | GLY | 0 | 0.026 | 0.024 | 25.484 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 307 | LEU | 0 | -0.022 | -0.001 | 26.550 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 308 | VAL | 0 | 0.011 | 0.001 | 25.606 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 309 | PRO | 0 | -0.043 | -0.004 | 26.545 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 310 | ARG | 1 | 0.828 | 0.895 | 29.489 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 311 | LYS | 1 | 0.862 | 0.924 | 30.558 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 312 | ILE | 0 | 0.042 | 0.023 | 32.747 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 313 | LYS | 1 | 0.794 | 0.871 | 34.898 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 314 | LYS | 1 | 0.845 | 0.927 | 37.372 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 315 | VAL | 0 | -0.002 | 0.000 | 37.914 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 316 | ALA | 0 | 0.022 | 0.016 | 41.132 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 317 | ILE | 0 | -0.027 | -0.018 | 41.556 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 318 | ILE | 0 | 0.035 | 0.033 | 45.706 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 319 | GLY | 0 | 0.044 | 0.008 | 48.577 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 320 | GLY | 0 | 0.057 | 0.058 | 49.317 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 321 | GLY | 0 | 0.013 | -0.006 | 50.296 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 322 | LEU | 0 | -0.013 | 0.006 | 45.924 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 323 | MET | 0 | 0.035 | 0.027 | 41.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 324 | GLY | 0 | 0.068 | 0.031 | 44.002 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 325 | SER | 0 | -0.002 | -0.012 | 44.450 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 326 | GLY | 0 | 0.036 | 0.034 | 42.426 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 327 | ILE | 0 | 0.004 | -0.007 | 39.449 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 328 | ALA | 0 | 0.032 | 0.014 | 39.620 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 329 | THR | 0 | -0.031 | -0.034 | 39.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 330 | ALA | 0 | 0.010 | -0.005 | 35.820 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 331 | LEU | 0 | 0.003 | 0.015 | 35.418 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 332 | ILE | 0 | 0.007 | 0.010 | 36.298 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 333 | LEU | 0 | -0.073 | -0.042 | 35.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 334 | SER | 0 | -0.073 | -0.038 | 31.906 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 335 | ASN | 0 | -0.065 | -0.035 | 32.044 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 336 | TYR | 0 | 0.032 | 0.019 | 31.395 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 337 | PRO | 0 | -0.011 | -0.007 | 36.850 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 338 | VAL | 0 | -0.030 | -0.009 | 40.388 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 339 | ILE | 0 | -0.006 | -0.001 | 42.774 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 340 | LEU | 0 | 0.008 | 0.004 | 46.100 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 341 | LYS | 1 | 0.806 | 0.914 | 48.210 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 342 | GLU | -1 | -0.822 | -0.924 | 51.326 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 343 | VAL | 0 | -0.012 | -0.002 | 54.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 344 | ASN | 0 | 0.020 | -0.011 | 57.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 345 | GLU | -1 | -0.847 | -0.917 | 58.159 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 346 | LYS | 1 | 0.902 | 0.961 | 57.861 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 347 | PHE | 0 | -0.017 | -0.019 | 55.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 348 | LEU | 0 | 0.025 | 0.022 | 52.006 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 349 | GLU | -1 | -0.851 | -0.932 | 52.938 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 350 | ALA | 0 | -0.032 | -0.007 | 53.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 351 | GLY | 0 | -0.011 | -0.010 | 50.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 352 | ILE | 0 | 0.010 | -0.007 | 48.963 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 353 | GLY | 0 | 0.015 | 0.010 | 48.994 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 354 | ARG | 1 | 0.881 | 0.937 | 48.107 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 355 | VAL | 0 | 0.002 | 0.012 | 43.478 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 356 | LYS | 1 | 0.935 | 0.957 | 44.903 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 357 | ALA | 0 | -0.005 | -0.002 | 46.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 358 | ASN | 0 | -0.022 | -0.022 | 42.486 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 359 | LEU | 0 | -0.024 | -0.010 | 40.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 360 | GLN | 0 | 0.062 | 0.022 | 42.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 361 | SER | 0 | -0.057 | -0.018 | 43.513 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 362 | ARG | 1 | 0.906 | 0.949 | 34.713 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 363 | VAL | 0 | 0.010 | 0.020 | 40.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 364 | ARG | 1 | 0.946 | 0.982 | 42.208 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 365 | LYS | 1 | 0.908 | 0.939 | 41.104 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 366 | GLY | 0 | 0.061 | 0.035 | 38.721 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 367 | SER | 0 | 0.020 | 0.021 | 35.923 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 368 | MET | 0 | -0.052 | -0.016 | 33.953 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 369 | SER | 0 | 0.030 | 0.002 | 37.826 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 370 | GLN | 0 | 0.057 | 0.008 | 39.656 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 371 | GLU | -1 | -0.798 | -0.878 | 40.574 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 372 | LYS | 1 | 0.901 | 0.957 | 34.778 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 373 | PHE | 0 | 0.022 | -0.020 | 36.471 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 374 | GLU | -1 | -0.835 | -0.883 | 41.280 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 375 | LYS | 1 | 0.854 | 0.894 | 40.673 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 376 | THR | 0 | -0.015 | 0.006 | 37.813 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 377 | MET | 0 | -0.020 | -0.004 | 40.794 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 378 | SER | 0 | -0.029 | -0.010 | 42.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 379 | LEU | 0 | -0.040 | -0.020 | 38.040 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 380 | LEU | 0 | -0.004 | 0.006 | 42.358 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 381 | LYS | 1 | 0.904 | 0.961 | 44.827 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 382 | GLY | 0 | 0.038 | 0.021 | 48.058 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 383 | SER | 0 | 0.034 | 0.011 | 50.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 384 | LEU | 0 | 0.027 | 0.003 | 53.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 385 | ASP | -1 | -0.751 | -0.855 | 54.773 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 386 | TYR | 0 | -0.041 | -0.043 | 52.220 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 387 | GLU | -1 | -0.742 | -0.842 | 52.473 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 388 | SER | 0 | -0.074 | -0.052 | 50.711 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 389 | PHE | 0 | -0.026 | -0.044 | 47.741 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 390 | ARG | 1 | 0.806 | 0.874 | 47.671 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 391 | ASP | -1 | -0.874 | -0.929 | 45.071 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 392 | VAL | 0 | -0.030 | 0.002 | 42.965 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 393 | ASP | -1 | -0.724 | -0.824 | 38.574 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 394 | MET | 0 | -0.032 | -0.018 | 37.741 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 395 | VAL | 0 | 0.023 | 0.008 | 40.665 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 396 | ILE | 0 | -0.040 | -0.019 | 38.758 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 397 | GLU | -1 | -0.750 | -0.835 | 43.290 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 398 | ALA | 0 | -0.021 | -0.021 | 45.012 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 399 | VAL | 0 | -0.025 | -0.010 | 46.933 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 400 | ILE | 0 | 0.021 | 0.003 | 50.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 401 | GLU | -1 | -0.672 | -0.793 | 48.548 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 402 | ASN | 0 | 0.007 | 0.003 | 52.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 403 | ILE | 0 | 0.103 | 0.034 | 53.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 404 | SER | 0 | 0.015 | 0.015 | 54.617 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 405 | LEU | 0 | -0.001 | -0.004 | 55.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 406 | LYS | 1 | 0.781 | 0.880 | 48.864 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 407 | GLN | 0 | 0.039 | 0.013 | 52.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 408 | GLN | 0 | -0.070 | -0.025 | 53.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 409 | ILE | 0 | 0.004 | -0.004 | 50.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 410 | PHE | 0 | 0.022 | -0.009 | 45.701 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 411 | ALA | 0 | 0.026 | 0.018 | 51.054 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 412 | ASP | -1 | -0.817 | -0.891 | 53.896 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 413 | LEU | 0 | -0.017 | -0.032 | 46.798 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 414 | GLU | -1 | -0.775 | -0.859 | 49.718 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 415 | LYS | 1 | 0.858 | 0.945 | 50.713 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 416 | TYR | 0 | -0.042 | -0.027 | 51.992 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 417 | CYS | 0 | -0.049 | -0.006 | 46.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 418 | PRO | 0 | -0.011 | 0.003 | 44.409 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 419 | GLN | 0 | 0.058 | 0.019 | 45.690 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 420 | HIS | 0 | -0.025 | -0.015 | 39.569 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 421 | CYS | 0 | -0.085 | -0.014 | 40.702 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 422 | ILE | 0 | -0.005 | -0.006 | 36.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 423 | LEU | 0 | 0.024 | 0.009 | 41.034 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 424 | ALA | 0 | 0.015 | 0.007 | 40.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 425 | SER | 0 | -0.013 | -0.027 | 42.317 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 426 | ASN | 0 | -0.029 | -0.028 | 41.373 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 427 | THR | 0 | -0.028 | -0.029 | 43.322 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 428 | SER | 0 | -0.065 | -0.070 | 43.514 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 429 | THR | 0 | -0.062 | -0.047 | 45.298 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 430 | ILE | 0 | -0.012 | 0.009 | 47.747 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 431 | ASP | -1 | -0.750 | -0.844 | 47.040 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 432 | LEU | 0 | 0.037 | 0.003 | 41.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 433 | ASN | 0 | -0.059 | -0.047 | 46.177 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 434 | LYS | 1 | 0.951 | 0.974 | 48.389 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 435 | ILE | 0 | -0.021 | 0.002 | 47.530 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 436 | GLY | 0 | 0.025 | -0.003 | 48.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 437 | GLU | -1 | -0.929 | -0.954 | 49.830 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 438 | ARG | 1 | 0.817 | 0.918 | 53.289 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 439 | THR | 0 | -0.061 | -0.022 | 50.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 440 | LYS | 1 | 0.903 | 0.939 | 50.802 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 441 | SER | 0 | 0.044 | 0.014 | 46.181 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 442 | GLN | 0 | -0.015 | -0.027 | 45.374 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 443 | ASP | -1 | -0.860 | -0.930 | 41.652 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 444 | ARG | 1 | 0.832 | 0.902 | 40.582 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 445 | ILE | 0 | -0.017 | 0.023 | 41.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 446 | VAL | 0 | -0.031 | -0.013 | 36.952 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 447 | GLY | 0 | 0.020 | 0.013 | 39.666 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 448 | ALA | 0 | -0.032 | -0.031 | 37.533 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 449 | HIS | 0 | 0.002 | 0.023 | 38.265 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 450 | PHE | 0 | 0.008 | -0.011 | 35.247 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 451 | PHE | 0 | 0.056 | 0.022 | 36.267 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 452 | SER | 0 | -0.026 | -0.011 | 39.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 453 | PRO | 0 | 0.040 | 0.019 | 39.689 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 454 | ALA | 0 | 0.078 | 0.042 | 38.521 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 455 | HIS | 0 | -0.026 | -0.016 | 37.045 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 456 | ILE | 0 | -0.090 | -0.051 | 35.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 457 | MET | 0 | 0.028 | 0.031 | 34.555 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 458 | PRO | 0 | 0.043 | 0.005 | 30.114 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 459 | LEU | 0 | -0.004 | 0.020 | 31.014 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 460 | LEU | 0 | -0.028 | -0.016 | 32.312 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 461 | GLU | -1 | -0.679 | -0.842 | 32.954 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 462 | ILE | 0 | -0.049 | -0.014 | 31.259 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 463 | VAL | 0 | -0.010 | 0.016 | 35.045 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 464 | ARG | 1 | 0.964 | 0.988 | 32.720 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 465 | THR | 0 | 0.046 | 0.002 | 37.983 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 466 | ASN | 0 | -0.022 | -0.023 | 40.199 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 467 | HIS | 0 | 0.034 | 0.017 | 41.528 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 468 | THR | 0 | -0.053 | -0.008 | 37.664 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 469 | SER | 0 | 0.011 | 0.002 | 37.792 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 470 | ALA | 0 | 0.001 | -0.016 | 32.387 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 471 | GLN | 0 | -0.028 | -0.036 | 31.441 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 472 | VAL | 0 | 0.059 | 0.036 | 33.412 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 473 | ILE | 0 | -0.007 | 0.001 | 31.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 474 | VAL | 0 | -0.004 | -0.012 | 28.095 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 475 | ASP | -1 | -0.737 | -0.851 | 29.722 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 476 | LEU | 0 | 0.013 | 0.002 | 31.633 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 477 | LEU | 0 | -0.006 | 0.009 | 26.239 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 478 | ASP | -1 | -0.790 | -0.900 | 25.771 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 479 | VAL | 0 | -0.010 | -0.005 | 28.096 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 480 | GLY | 0 | 0.047 | 0.013 | 30.665 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 481 | LYS | 1 | 0.948 | 0.980 | 20.439 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 482 | LYS | 1 | 0.770 | 0.879 | 25.084 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 483 | ILE | 0 | -0.058 | -0.020 | 28.539 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 484 | LYS | 1 | 0.813 | 0.899 | 27.421 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 485 | LYS | 1 | 0.827 | 0.936 | 28.813 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 486 | THR | 0 | 0.025 | 0.014 | 26.578 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 487 | PRO | 0 | -0.037 | -0.020 | 27.220 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 488 | VAL | 0 | 0.020 | 0.019 | 28.402 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 489 | VAL | 0 | -0.022 | -0.003 | 30.116 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 490 | VAL | 0 | -0.015 | -0.002 | 32.131 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 491 | GLY | 0 | -0.010 | -0.004 | 35.249 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 492 | ASN | 0 | -0.033 | -0.049 | 38.520 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 493 | CYS | 0 | -0.028 | 0.007 | 41.531 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 494 | THR | 0 | 0.029 | 0.001 | 44.016 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 495 | GLY | 0 | 0.036 | 0.013 | 44.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 496 | PHE | 0 | -0.083 | -0.047 | 39.228 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 497 | ALA | 0 | 0.017 | 0.010 | 36.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 498 | VAL | 0 | -0.033 | -0.024 | 35.512 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 499 | ASN | 0 | 0.021 | -0.005 | 38.027 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 500 | ARG | 1 | 0.722 | 0.827 | 41.106 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 501 | MET | 0 | -0.058 | -0.015 | 34.595 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 502 | PHE | 0 | 0.021 | -0.015 | 37.057 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 503 | PHE | 0 | 0.015 | 0.025 | 42.225 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 504 | PRO | 0 | -0.012 | -0.006 | 43.741 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 505 | TYR | 0 | 0.049 | 0.022 | 42.280 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 506 | THR | 0 | 0.008 | -0.012 | 45.122 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 507 | GLN | 0 | 0.075 | 0.038 | 48.027 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 508 | ALA | 0 | 0.027 | 0.022 | 47.783 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 509 | ALA | 0 | 0.009 | 0.007 | 48.434 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 510 | MET | 0 | -0.023 | -0.020 | 50.339 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 511 | PHE | 0 | 0.031 | 0.019 | 53.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 512 | LEU | 0 | 0.005 | -0.007 | 49.831 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 513 | VAL | 0 | -0.032 | -0.009 | 53.771 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 514 | GLU | -1 | -0.759 | -0.840 | 56.243 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 515 | CYS | 0 | -0.038 | 0.003 | 57.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 516 | GLY | 0 | 0.098 | 0.051 | 59.113 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 517 | ALA | 0 | -0.087 | -0.041 | 54.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 518 | ASP | -1 | -0.788 | -0.905 | 55.021 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 519 | PRO | 0 | 0.056 | 0.010 | 53.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 520 | TYR | 0 | 0.022 | 0.009 | 51.667 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 521 | LEU | 0 | -0.051 | -0.023 | 50.646 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 522 | ILE | 0 | 0.011 | 0.009 | 48.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 523 | ASP | -1 | -0.753 | -0.878 | 47.198 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 524 | ARG | 1 | 0.820 | 0.901 | 45.896 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 525 | ALA | 0 | -0.017 | 0.001 | 45.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 526 | ILE | 0 | 0.031 | 0.007 | 41.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 527 | SER | 0 | -0.019 | -0.028 | 41.222 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 528 | LYS | 1 | 0.825 | 0.912 | 40.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 529 | PHE | 0 | -0.040 | -0.020 | 36.726 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 530 | GLY | 0 | 0.022 | 0.000 | 36.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 531 | MET | 0 | -0.041 | 0.020 | 36.616 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 532 | PRO | 0 | -0.015 | -0.016 | 37.088 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 533 | MET | 0 | -0.056 | -0.011 | 39.698 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 534 | GLY | 0 | 0.042 | 0.043 | 42.810 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 535 | PRO | 0 | 0.020 | -0.004 | 45.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 536 | PHE | 0 | 0.014 | 0.003 | 46.915 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 537 | ARG | 1 | 0.918 | 0.946 | 47.184 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 538 | LEU | 0 | 0.018 | 0.006 | 42.274 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 539 | CYS | 0 | 0.004 | -0.002 | 46.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 540 | ASP | -1 | -0.849 | -0.917 | 49.376 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 541 | LEU | 0 | -0.096 | -0.040 | 43.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 542 | VAL | 0 | -0.041 | -0.021 | 45.513 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 543 | GLY | 0 | 0.034 | 0.032 | 48.022 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 544 | PHE | 0 | 0.026 | -0.007 | 51.852 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 545 | GLY | 0 | 0.081 | 0.045 | 54.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 546 | VAL | 0 | -0.024 | -0.013 | 48.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 547 | ALA | 0 | 0.022 | 0.019 | 49.539 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 548 | ILE | 0 | 0.013 | 0.009 | 50.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 549 | ALA | 0 | 0.000 | 0.019 | 52.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 550 | THR | 0 | -0.053 | -0.051 | 46.956 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 551 | ALA | 0 | -0.012 | -0.007 | 49.094 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 552 | THR | 0 | -0.034 | -0.032 | 50.616 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 553 | GLN | 0 | 0.033 | 0.013 | 46.531 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 554 | PHE | 0 | -0.002 | 0.001 | 44.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 555 | ILE | 0 | -0.012 | 0.000 | 50.120 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 556 | GLU | -1 | -0.932 | -0.965 | 53.700 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 557 | ASN | 0 | -0.077 | -0.033 | 50.401 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 558 | PHE | 0 | 0.018 | 0.004 | 45.833 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 559 | SER | 0 | 0.024 | 0.048 | 51.445 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 560 | GLU | -1 | -0.827 | -0.915 | 51.394 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 561 | ARG | 1 | 0.728 | 0.838 | 45.937 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 562 | THR | 0 | -0.049 | -0.037 | 50.070 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 563 | TYR | 0 | -0.034 | -0.064 | 52.226 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 564 | LYS | 1 | 0.929 | 0.978 | 54.329 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 565 | SER | 0 | -0.049 | -0.043 | 55.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 566 | MET | 0 | 0.016 | -0.005 | 57.591 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 567 | ILE | 0 | 0.014 | 0.015 | 56.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 568 | ILE | 0 | 0.020 | -0.002 | 53.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 569 | PRO | 0 | -0.070 | -0.046 | 57.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 570 | LEU | 0 | 0.096 | 0.059 | 60.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 571 | MET | 0 | -0.035 | -0.022 | 57.257 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 572 | GLN | 0 | -0.062 | -0.029 | 57.662 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 573 | GLU | -1 | -0.951 | -0.967 | 61.573 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 574 | ASP | -1 | -0.895 | -0.925 | 65.032 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 575 | LYS | 1 | 0.803 | 0.893 | 61.114 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 597 | ASP | -1 | -0.987 | -1.005 | 51.447 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 598 | PRO | 0 | -0.053 | -0.011 | 51.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 599 | GLU | -1 | -0.890 | -0.957 | 53.576 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 600 | LEU | 0 | -0.038 | -0.022 | 54.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 601 | LYS | 1 | 0.909 | 0.950 | 55.082 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 602 | LYS | 1 | 0.982 | 0.989 | 59.639 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 603 | TYR | 0 | -0.044 | -0.039 | 60.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 604 | ILE | 0 | 0.017 | 0.007 | 57.138 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 605 | GLU | -1 | -0.786 | -0.860 | 60.593 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 606 | LYS | 1 | 0.961 | 0.987 | 63.153 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 607 | ALA | 0 | 0.034 | 0.023 | 62.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 608 | ARG | 1 | 0.779 | 0.838 | 58.667 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 609 | SER | 0 | -0.034 | -0.021 | 61.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 610 | ILE | 0 | -0.010 | 0.003 | 65.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 611 | SER | 0 | -0.035 | -0.012 | 61.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 612 | GLY | 0 | 0.019 | 0.024 | 62.957 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 613 | VAL | 0 | -0.053 | -0.032 | 62.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 614 | LYS | 1 | 0.828 | 0.928 | 57.833 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 615 | LEU | 0 | 0.034 | 0.023 | 62.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 616 | ASP | -1 | -0.857 | -0.944 | 61.661 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 617 | PRO | 0 | -0.006 | 0.000 | 58.981 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 618 | LYS | 1 | 0.831 | 0.907 | 58.890 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 619 | LEU | 0 | 0.075 | 0.030 | 54.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 620 | ALA | 0 | 0.020 | 0.020 | 55.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 621 | ASN | 0 | -0.053 | -0.041 | 55.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 622 | LEU | 0 | 0.033 | 0.046 | 51.457 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 623 | SER | 0 | 0.011 | 0.011 | 48.543 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 624 | GLU | -1 | -0.755 | -0.868 | 45.977 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 625 | LYS | 1 | 0.831 | 0.919 | 43.307 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 626 | ASP | -1 | -0.788 | -0.908 | 44.824 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 627 | ILE | 0 | 0.021 | 0.019 | 46.696 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 628 | ILE | 0 | -0.030 | 0.002 | 40.817 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 629 | GLU | -1 | -0.792 | -0.865 | 42.209 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 630 | MET | 0 | -0.010 | -0.005 | 43.878 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 631 | THR | 0 | -0.037 | -0.022 | 44.600 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 632 | PHE | 0 | 0.003 | -0.019 | 39.407 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 633 | PHE | 0 | 0.002 | 0.002 | 39.959 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 634 | PRO | 0 | 0.037 | 0.014 | 42.461 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 635 | VAL | 0 | 0.004 | 0.016 | 38.791 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 636 | VAL | 0 | -0.005 | -0.005 | 37.098 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 637 | ASN | 0 | 0.011 | -0.001 | 38.914 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 638 | GLU | -1 | -0.728 | -0.835 | 41.572 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 639 | ALA | 0 | 0.011 | 0.008 | 36.093 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 640 | CYS | 0 | -0.060 | -0.034 | 37.123 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 641 | ARG | 1 | 0.859 | 0.935 | 38.227 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 642 | VAL | 0 | 0.046 | 0.019 | 36.474 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 643 | PHE | 0 | -0.036 | -0.025 | 30.665 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 644 | ALA | 0 | -0.033 | -0.022 | 35.852 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 645 | GLU | -1 | -0.813 | -0.876 | 38.279 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 646 | GLY | 0 | -0.023 | 0.001 | 35.760 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 647 | ILE | 0 | -0.053 | -0.014 | 36.116 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 648 | ALA | 0 | 0.040 | 0.005 | 32.763 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 649 | VAL | 0 | -0.027 | -0.007 | 28.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 650 | LYS | 1 | 0.752 | 0.849 | 24.990 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 651 | ALA | 0 | 0.056 | 0.039 | 28.794 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 652 | ALA | 0 | 0.070 | 0.030 | 24.762 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 653 | ASP | -1 | -0.765 | -0.884 | 26.816 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 654 | LEU | 0 | -0.012 | -0.004 | 28.721 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 655 | ASP | -1 | -0.802 | -0.879 | 27.997 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 656 | ILE | 0 | 0.013 | -0.005 | 25.216 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 657 | ALA | 0 | -0.012 | -0.002 | 29.070 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 658 | GLY | 0 | 0.056 | 0.019 | 32.611 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 659 | ILE | 0 | -0.068 | -0.030 | 28.278 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 660 | MET | 0 | -0.089 | -0.038 | 26.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 661 | GLY | 0 | 0.004 | 0.001 | 32.163 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 662 | MET | 0 | -0.050 | -0.017 | 35.614 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 663 | GLY | 0 | 0.013 | 0.017 | 34.930 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 664 | PHE | 0 | 0.002 | -0.009 | 32.456 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 665 | PRO | 0 | 0.003 | -0.006 | 32.645 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 666 | PRO | 0 | 0.053 | 0.027 | 27.660 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 667 | TYR | 0 | 0.013 | 0.005 | 27.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 668 | ARG | 1 | 0.827 | 0.901 | 28.816 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 669 | GLY | 0 | 0.028 | 0.026 | 26.716 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 670 | GLY | 0 | -0.013 | -0.023 | 27.647 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 671 | ILE | 0 | 0.015 | 0.004 | 30.477 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 672 | MET | 0 | -0.023 | -0.008 | 30.737 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 673 | PHE | 0 | 0.020 | 0.003 | 24.822 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 674 | TRP | 0 | 0.014 | -0.008 | 29.824 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 675 | ALA | 0 | 0.024 | 0.013 | 32.763 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 676 | ASP | -1 | -0.718 | -0.847 | 30.969 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 677 | SER | 0 | -0.095 | -0.037 | 30.762 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 678 | ILE | 0 | -0.038 | -0.005 | 32.322 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 679 | GLY | 0 | 0.030 | 0.023 | 35.603 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 680 | SER | 0 | -0.019 | -0.040 | 36.343 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 681 | LYS | 1 | 0.930 | 0.951 | 38.130 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 682 | TYR | 0 | -0.063 | -0.044 | 40.398 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 683 | ILE | 0 | 0.017 | 0.014 | 37.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 684 | TYR | 0 | -0.011 | -0.006 | 41.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 685 | SER | 0 | -0.040 | -0.008 | 43.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 686 | ARG | 1 | 0.826 | 0.881 | 45.468 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 687 | LEU | 0 | 0.020 | 0.015 | 43.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 688 | ASP | -1 | -0.842 | -0.909 | 47.145 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 689 | GLU | -1 | -0.823 | -0.882 | 49.607 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 690 | TRP | 0 | 0.007 | -0.009 | 46.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 691 | SER | 0 | -0.023 | -0.020 | 50.963 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 692 | LYS | 1 | 0.786 | 0.863 | 52.332 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 693 | ALA | 0 | -0.019 | 0.012 | 55.125 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 694 | TYR | 0 | -0.048 | -0.028 | 53.115 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 695 | GLY | 0 | 0.035 | 0.030 | 55.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 696 | DGL | -1 | -0.804 | -0.895 | 53.309 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 697 | PHE | 0 | -0.002 | 0.024 | 49.066 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 698 | PHE | 0 | -0.014 | -0.010 | 48.594 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 699 | LYS | 1 | 0.844 | 0.917 | 48.450 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 700 | PRO | 0 | -0.010 | -0.004 | 45.207 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 701 | CYS | 0 | -0.054 | 0.002 | 42.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 702 | ALA | 0 | 0.065 | 0.017 | 44.174 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 703 | PHE | 0 | 0.007 | 0.001 | 34.842 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 704 | LEU | 0 | 0.035 | -0.003 | 39.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 705 | ALA | 0 | 0.028 | 0.017 | 41.004 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 706 | GLU | -1 | -0.819 | -0.878 | 41.433 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 707 | ARG | 1 | 0.811 | 0.893 | 32.989 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 708 | GLY | 0 | 0.059 | 0.033 | 39.194 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 709 | SER | 0 | -0.039 | -0.047 | 40.924 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 710 | LYS | 1 | 0.796 | 0.884 | 39.262 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 711 | GLY | 0 | -0.034 | 0.000 | 38.576 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 712 | VAL | 0 | -0.033 | 0.002 | 34.419 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 713 | LEU | 0 | 0.023 | 0.022 | 28.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 714 | LEU | 0 | -0.018 | -0.018 | 33.016 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 715 | SER | 0 | -0.017 | -0.051 | 28.893 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 716 | ALA | 0 | -0.049 | -0.009 | 28.943 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 717 | PRO | 0 | 0.040 | 0.009 | 27.452 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 718 | VAL | 0 | 0.039 | 0.033 | 30.400 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 719 | LYS | 1 | 0.921 | 0.969 | 30.991 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |