FMODB ID: MNQKZ
Calculation Name: 1UAA-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1UAA
Chain ID: A
UniProt ID: P09980
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 639 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15161002.156261 |
---|---|
FMO2-HF: Nuclear repulsion | 14904318.119825 |
FMO2-HF: Total energy | -256684.036436 |
FMO2-MP2: Total energy | -257436.374716 |
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:2:ARG)
Summations of interaction energy for
fragment #1(A:2:ARG)
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. |
-155.808 | -157.956 | 23.331 | -9.479 | -11.705 | -0.108 |
Interaction energy analysis for fragmet #1(A:2:ARG)
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 | 4 | ASN | 0 | 0.089 | 0.088 | 2.955 | -5.725 | -2.797 | 0.456 | -1.354 | -2.030 | -0.010 |
4 | A | 5 | PRO | 0 | 0.064 | -0.004 | 4.155 | -1.031 | -0.824 | -0.001 | -0.012 | -0.194 | 0.000 |
5 | A | 6 | GLY | 0 | 0.081 | 0.050 | 6.447 | -0.654 | -0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | GLN | 0 | 0.024 | 0.007 | 6.433 | -3.592 | -3.592 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | GLN | 0 | -0.003 | -0.011 | 1.907 | -24.904 | -30.607 | 22.878 | -7.969 | -9.207 | -0.097 |
8 | A | 9 | GLN | 0 | 0.041 | 0.013 | 5.347 | 1.751 | 1.819 | -0.001 | -0.001 | -0.066 | 0.000 |
9 | A | 10 | ALA | 0 | -0.008 | -0.017 | 7.630 | 2.729 | 2.729 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | VAL | 0 | -0.090 | -0.052 | 6.450 | 2.379 | 2.379 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | GLU | -1 | -0.818 | -0.904 | 4.148 | -57.584 | -57.232 | -0.001 | -0.143 | -0.208 | -0.001 |
12 | A | 13 | PHE | 0 | -0.082 | -0.014 | 7.752 | 3.182 | 3.182 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | VAL | 0 | 0.023 | -0.001 | 10.679 | 1.279 | 1.279 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | THR | 0 | -0.009 | -0.020 | 13.404 | 0.725 | 0.725 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | GLY | 0 | -0.076 | -0.050 | 16.205 | 1.129 | 1.129 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | PRO | 0 | 0.021 | 0.043 | 18.217 | -0.522 | -0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | CYS | 0 | 0.011 | 0.005 | 15.383 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | LEU | 0 | 0.060 | 0.038 | 17.767 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | VAL | 0 | -0.002 | -0.012 | 13.603 | -0.658 | -0.658 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | LEU | 0 | 0.000 | -0.011 | 16.361 | 0.571 | 0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | ALA | 0 | -0.058 | -0.026 | 15.348 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | GLY | 0 | 0.100 | 0.073 | 16.623 | 0.748 | 0.748 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | ALA | 0 | 0.045 | 0.014 | 17.506 | -0.821 | -0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | GLY | 0 | 0.017 | 0.005 | 16.474 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | SER | 0 | -0.066 | -0.041 | 13.829 | -1.323 | -1.323 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | GLY | 0 | 0.092 | 0.020 | 11.823 | -1.742 | -1.742 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | LYS | 1 | 0.926 | 0.949 | 12.591 | 13.856 | 13.856 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | THR | 0 | 0.088 | 0.044 | 14.709 | -0.838 | -0.838 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | ARG | 1 | 0.975 | 0.997 | 4.951 | 34.900 | 34.900 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | VAL | 0 | -0.004 | 0.005 | 9.504 | -1.100 | -1.100 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ILE | 0 | 0.075 | 0.051 | 11.158 | -0.828 | -0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | THR | 0 | 0.099 | -0.016 | 12.310 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | ASN | 0 | -0.064 | -0.003 | 7.639 | 1.810 | 1.810 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | LYS | 1 | 0.829 | 0.953 | 10.432 | 22.858 | 22.858 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | ILE | 0 | -0.001 | -0.006 | 11.395 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | ALA | 0 | 0.010 | -0.002 | 11.361 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | HIS | 0 | -0.028 | -0.033 | 6.143 | -2.183 | -2.183 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | LEU | 0 | -0.033 | -0.007 | 10.034 | 0.707 | 0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | ILE | 0 | -0.009 | -0.007 | 12.856 | 0.786 | 0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ARG | 1 | 0.857 | 0.930 | 10.847 | 20.331 | 20.331 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | GLY | 0 | -0.007 | 0.011 | 9.223 | 0.481 | 0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | CYS | 0 | -0.086 | -0.037 | 10.248 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | GLY | 0 | 0.006 | 0.024 | 12.793 | 1.394 | 1.394 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | TYR | 0 | -0.039 | -0.021 | 15.188 | 1.541 | 1.541 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | GLN | 0 | 0.004 | -0.003 | 17.365 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | ALA | 0 | 0.122 | 0.056 | 19.379 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | ARG | 1 | 0.946 | 0.980 | 20.241 | 11.544 | 11.544 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | HIS | 0 | -0.120 | -0.052 | 21.542 | 0.690 | 0.690 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | ILE | 0 | 0.019 | 0.011 | 16.956 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | ALA | 0 | 0.003 | -0.004 | 20.832 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | ALA | 0 | 0.000 | 0.008 | 19.784 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | VAL | 0 | 0.025 | 0.013 | 21.659 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | THR | 0 | -0.002 | -0.009 | 23.504 | -0.685 | -0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | PHE | 0 | 0.018 | 0.010 | 25.467 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | THR | 0 | 0.034 | 0.017 | 26.843 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | ASN | 0 | -0.023 | -0.022 | 27.566 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | LYS | 1 | 0.960 | 0.990 | 26.834 | 10.567 | 10.567 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | ALA | 0 | 0.115 | 0.069 | 22.787 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | ALA | 0 | -0.018 | -0.001 | 23.058 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | ARG | 1 | 0.994 | 1.014 | 24.144 | 10.412 | 10.412 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | GLU | -1 | -0.816 | -0.942 | 21.395 | -13.297 | -13.297 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | MET | 0 | -0.112 | -0.048 | 18.706 | -0.954 | -0.954 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | LYS | 1 | 0.887 | 0.932 | 19.584 | 11.908 | 11.908 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | GLU | -1 | -0.790 | -0.855 | 21.287 | -13.246 | -13.246 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | ARG | 1 | 0.933 | 0.964 | 15.917 | 15.326 | 15.326 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | VAL | 0 | 0.037 | 0.020 | 16.238 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | GLY | 0 | 0.012 | -0.001 | 17.278 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | GLN | 0 | -0.044 | -0.019 | 14.878 | -0.475 | -0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | THR | 0 | -0.085 | -0.035 | 12.033 | -0.711 | -0.711 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | LEU | 0 | -0.075 | -0.039 | 13.914 | -0.866 | -0.866 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | GLY | 0 | 0.094 | 0.010 | 16.982 | 0.515 | 0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | ARG | 1 | 0.929 | 0.954 | 20.553 | 11.001 | 11.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | LYN | 0 | -0.075 | 0.036 | 20.187 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | GLU | -1 | -0.865 | -0.952 | 17.540 | -16.982 | -16.982 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | ALA | 0 | -0.016 | -0.008 | 20.091 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | ARG | 1 | 0.889 | 0.955 | 21.301 | 11.299 | 11.299 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | GLY | 0 | -0.041 | 0.005 | 24.179 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | LEU | 0 | -0.019 | -0.009 | 19.598 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | MET | 0 | -0.029 | -0.032 | 23.373 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | ILE | 0 | 0.014 | 0.030 | 21.919 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | SER | 0 | -0.026 | -0.023 | 24.122 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | THR | 0 | 0.017 | 0.033 | 26.661 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | PHE | 0 | 0.071 | 0.021 | 27.670 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | HIS | 0 | 0.108 | 0.050 | 30.396 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | THR | 0 | 0.022 | -0.002 | 30.678 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | LEU | 0 | -0.007 | 0.028 | 28.408 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | GLY | 0 | 0.011 | 0.004 | 31.703 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | LEU | 0 | 0.030 | -0.007 | 34.474 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | ASP | -1 | -0.868 | -0.948 | 33.309 | -9.300 | -9.300 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | ILE | 0 | -0.001 | -0.007 | 32.116 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | ILE | 0 | -0.032 | 0.006 | 35.581 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | LYS | 1 | 0.934 | 0.963 | 38.252 | 8.010 | 8.010 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | ARG | 1 | 0.872 | 0.948 | 31.134 | 9.797 | 9.797 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | GLU | -1 | -0.752 | -0.903 | 37.100 | -8.449 | -8.449 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | TYR | 0 | 0.044 | 0.021 | 39.679 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | ALA | 0 | -0.012 | -0.005 | 40.883 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | ALA | 0 | -0.075 | -0.015 | 40.078 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | LEU | 0 | 0.013 | -0.009 | 42.142 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | GLY | 0 | -0.066 | -0.014 | 44.815 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | MET | 0 | -0.044 | -0.028 | 46.147 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | LYN | 0 | -0.024 | -0.010 | 46.680 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | ALA | 0 | -0.044 | -0.027 | 44.149 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | ASN | 0 | -0.076 | -0.061 | 46.093 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | PHE | 0 | -0.001 | 0.000 | 42.220 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | SER | 0 | -0.010 | -0.027 | 47.158 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | LEU | 0 | -0.032 | -0.014 | 41.167 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | PHE | 0 | -0.026 | -0.029 | 44.561 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | ASP | -1 | -0.833 | -0.900 | 42.928 | -7.420 | -7.420 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | ASP | -1 | -0.831 | -0.960 | 42.183 | -7.243 | -7.243 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | THR | 0 | -0.009 | -0.020 | 44.243 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | ASP | -1 | -0.927 | -0.940 | 46.862 | -6.678 | -6.678 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | GLN | 0 | -0.057 | -0.028 | 44.422 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | LEU | 0 | 0.044 | 0.016 | 47.842 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | ALA | 0 | -0.037 | -0.020 | 49.466 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | LEU | 0 | 0.037 | 0.024 | 51.836 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | LEU | 0 | 0.028 | 0.005 | 49.607 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | LYS | 1 | 1.031 | 1.024 | 53.378 | 5.945 | 5.945 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | GLU | -1 | -0.948 | -0.961 | 55.458 | -5.484 | -5.484 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | LEU | 0 | -0.126 | -0.057 | 54.705 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | THR | 0 | -0.131 | -0.158 | 54.797 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | GLU | -1 | -0.801 | -0.906 | 57.733 | -5.372 | -5.372 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | GLY | 0 | -0.092 | -0.028 | 60.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | LEU | 0 | -0.151 | -0.013 | 57.913 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | ILE | 0 | -0.069 | -0.050 | 55.263 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | GLU | -1 | -0.910 | -0.961 | 57.376 | -5.513 | -5.513 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | ASP | -1 | -0.897 | -0.932 | 56.610 | -5.667 | -5.667 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | ASP | -1 | -0.807 | -0.922 | 53.766 | -5.992 | -5.992 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | LYS | 1 | 0.888 | 0.942 | 48.475 | 6.354 | 6.354 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | VAL | 0 | -0.033 | -0.035 | 48.396 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | LEU | 0 | 0.043 | 0.038 | 49.035 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | LEU | 0 | 0.022 | 0.008 | 50.006 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | GLN | 0 | -0.003 | 0.013 | 44.548 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | GLN | 0 | 0.059 | 0.042 | 46.201 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | LEU | 0 | 0.054 | 0.071 | 46.885 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | ILE | 0 | 0.008 | -0.003 | 43.890 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | SER | 0 | -0.053 | -0.032 | 42.343 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | THR | 0 | -0.054 | -0.080 | 43.499 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | ILE | 0 | 0.017 | -0.020 | 45.462 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | SER | 0 | -0.100 | -0.048 | 40.807 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | ASN | 0 | -0.024 | -0.021 | 40.397 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | TRP | 0 | 0.094 | 0.083 | 42.010 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | LYS | 1 | 0.849 | 0.942 | 42.331 | 7.072 | 7.072 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | ASN | 0 | -0.027 | -0.005 | 37.859 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | ASP | -1 | -0.839 | -0.900 | 38.488 | -7.919 | -7.919 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | LEU | 0 | -0.070 | -0.055 | 38.281 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | LYS | 1 | 0.795 | 0.902 | 42.072 | 7.520 | 7.520 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | THR | 0 | 0.024 | 0.012 | 45.608 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | PRO | 0 | 0.043 | 0.027 | 49.024 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | SER | 0 | 0.002 | -0.005 | 51.440 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | GLN | 0 | -0.004 | -0.008 | 47.358 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | ALA | 0 | 0.025 | 0.015 | 48.819 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | ALA | 0 | 0.009 | -0.004 | 50.203 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | ALA | 0 | -0.041 | -0.009 | 51.942 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | SER | 0 | -0.079 | -0.021 | 48.183 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | ALA | 0 | -0.014 | -0.016 | 49.729 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | ILE | 0 | -0.013 | 0.000 | 51.086 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | GLY | 0 | 0.094 | 0.034 | 53.022 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | GLU | -1 | -0.928 | -0.986 | 55.523 | -5.321 | -5.321 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | ARG | 1 | 0.901 | 0.932 | 52.415 | 6.004 | 6.004 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | ASP | -1 | -0.762 | -0.873 | 51.079 | -6.362 | -6.362 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | ARG | 1 | 0.928 | 0.974 | 53.555 | 5.314 | 5.314 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | ILE | 0 | -0.044 | 0.001 | 56.017 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | PHE | 0 | 0.079 | 0.046 | 51.281 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | ALA | 0 | 0.047 | 0.032 | 52.328 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | HIS | 0 | 0.005 | 0.017 | 53.357 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | CYS | 0 | -0.008 | -0.025 | 53.979 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | TYR | 0 | -0.008 | -0.011 | 47.175 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | GLY | 0 | -0.024 | -0.039 | 52.254 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | LEU | 0 | -0.074 | -0.054 | 54.406 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | TYR | 0 | -0.031 | -0.039 | 46.475 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | ASP | -1 | -0.912 | -0.954 | 49.218 | -6.496 | -6.496 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | ALA | 0 | -0.018 | -0.001 | 51.152 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | HIS | 1 | 0.885 | 0.925 | 54.406 | 5.915 | 5.915 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | LEU | 0 | -0.017 | -0.010 | 48.428 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | LYS | 1 | 0.896 | 0.941 | 49.403 | 6.459 | 6.459 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | ALA | 0 | -0.048 | -0.006 | 51.904 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | CYS | 0 | -0.077 | -0.025 | 53.849 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | ASN | 0 | 0.023 | 0.050 | 49.620 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | VAL | 0 | -0.008 | -0.006 | 48.089 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | LEU | 0 | -0.037 | -0.020 | 43.198 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | ASP | -1 | -0.687 | -0.793 | 43.378 | -7.357 | -7.357 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | PHE | 0 | 0.026 | -0.019 | 38.504 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | ASP | -1 | -0.838 | -0.900 | 38.823 | -8.257 | -8.257 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | ASP | -1 | -0.803 | -0.914 | 39.382 | -7.441 | -7.441 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | LEU | 0 | -0.044 | -0.035 | 37.334 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | ILE | 0 | -0.031 | -0.018 | 32.951 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | LEU | 0 | 0.003 | -0.013 | 36.473 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | LEU | 0 | 0.010 | 0.029 | 39.281 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | PRO | 0 | -0.023 | 0.005 | 35.787 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | THR | 0 | 0.037 | 0.009 | 34.805 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | LEU | 0 | -0.002 | 0.019 | 36.792 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | LEU | 0 | -0.027 | -0.017 | 39.271 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | LEU | 0 | -0.077 | -0.055 | 33.158 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | GLN | 0 | -0.037 | -0.026 | 37.255 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | ALA | 0 | -0.019 | 0.004 | 38.448 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | ASN | 0 | 0.043 | 0.027 | 40.441 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | GLU | -1 | -0.893 | -0.968 | 38.121 | -8.008 | -8.008 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | GLU | -1 | -1.030 | -1.012 | 37.269 | -8.102 | -8.102 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | VAL | 0 | 0.071 | 0.045 | 36.279 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | ARG | 1 | 0.994 | 0.999 | 33.592 | 8.550 | 8.550 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | LYS | 1 | 0.950 | 0.980 | 32.581 | 8.515 | 8.515 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | ARG | 1 | 0.874 | 0.958 | 31.615 | 8.454 | 8.454 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | TRP | 0 | -0.056 | -0.034 | 30.455 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | GLN | 0 | -0.061 | -0.012 | 28.663 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ASN | 0 | -0.129 | -0.062 | 27.237 | -0.612 | -0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | LYS | 1 | 0.901 | 0.969 | 27.452 | 10.665 | 10.665 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | ILE | 0 | 0.025 | -0.010 | 23.892 | -0.480 | -0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | ARG | 1 | 0.811 | 0.916 | 21.991 | 12.121 | 12.121 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | TYR | 0 | -0.025 | -0.011 | 15.693 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | LEU | 0 | 0.045 | 0.026 | 20.393 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | LEU | 0 | -0.062 | -0.012 | 15.669 | -0.538 | -0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | VAL | 0 | -0.001 | -0.006 | 19.578 | 0.530 | 0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | ASP | -1 | -0.852 | -0.912 | 20.029 | -15.759 | -15.759 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | GLU | -1 | -0.947 | -1.008 | 21.481 | -12.996 | -12.996 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | TYR | 0 | 0.058 | 0.025 | 22.861 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | GLN | 0 | 0.025 | 0.058 | 23.858 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | ASP | -1 | -0.775 | -0.884 | 26.555 | -10.932 | -10.932 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | THR | 0 | -0.178 | -0.123 | 27.227 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | ASN | 0 | 0.106 | 0.045 | 29.697 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | THR | 0 | 0.026 | -0.046 | 32.545 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | SER | 0 | 0.000 | 0.026 | 33.822 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | GLN | 0 | -0.015 | -0.005 | 30.164 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | TYR | 0 | 0.067 | 0.033 | 28.144 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | GLU | -1 | -0.877 | -0.970 | 30.332 | -9.229 | -9.229 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | LEU | 0 | -0.036 | -0.002 | 31.069 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | VAL | 0 | -0.016 | -0.015 | 25.959 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | LYS | 1 | 0.834 | 0.931 | 28.549 | 10.139 | 10.139 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | LEU | 0 | -0.021 | 0.002 | 29.575 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | LEU | 0 | -0.065 | -0.026 | 27.745 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | VAL | 0 | -0.036 | -0.033 | 24.645 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | GLY | 0 | -0.055 | -0.025 | 26.649 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | SER | 0 | 0.028 | -0.009 | 28.215 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | ARG | 1 | 0.857 | 0.943 | 23.197 | 11.909 | 11.909 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | ALA | 0 | 0.078 | 0.024 | 22.612 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | ARG | 1 | 0.869 | 0.956 | 18.906 | 14.287 | 14.287 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | PHE | 0 | 0.079 | 0.018 | 19.152 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | THR | 0 | -0.068 | -0.053 | 14.767 | -1.281 | -1.281 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | VAL | 0 | 0.005 | 0.045 | 17.887 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | VAL | 0 | 0.010 | -0.016 | 16.081 | -0.795 | -0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | GLY | 0 | -0.017 | -0.014 | 19.183 | 0.666 | 0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | ASP | -1 | -0.792 | -0.924 | 19.888 | -14.248 | -14.248 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | ASP | -1 | -0.850 | -0.927 | 22.498 | -11.528 | -11.528 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | ASP | -1 | -0.748 | -0.876 | 24.504 | -11.440 | -11.440 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | GLN | 0 | -0.105 | -0.085 | 21.252 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | SER | 0 | -0.118 | -0.056 | 26.408 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | ILE | 0 | 0.067 | 0.039 | 29.099 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | TYR | 0 | -0.049 | -0.022 | 31.075 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | SER | 0 | -0.013 | 0.005 | 33.775 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | TRP | 0 | 0.034 | 0.009 | 35.129 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | ARG | 1 | 0.857 | 0.921 | 36.439 | 8.175 | 8.175 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | GLY | 0 | 0.030 | 0.015 | 37.014 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | ALA | 0 | -0.026 | 0.010 | 31.678 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | ARG | 0 | 0.097 | 0.087 | 31.649 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | PRO | 0 | 0.066 | 0.034 | 30.648 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | GLN | 0 | 0.054 | 0.009 | 29.527 | -0.713 | -0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | ASN | 0 | 0.104 | 0.038 | 27.755 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | LEU | 0 | -0.061 | -0.013 | 23.145 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | VAL | 0 | 0.032 | 0.022 | 25.626 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | LEU | 0 | -0.022 | -0.004 | 28.256 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | LEU | 0 | -0.026 | -0.002 | 22.712 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | SER | 0 | -0.069 | -0.069 | 25.344 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | GLN | 0 | -0.042 | -0.015 | 26.339 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | ASP | -1 | -0.854 | -0.931 | 29.431 | -10.293 | -10.293 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | PHE | 0 | -0.064 | -0.034 | 24.799 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | PRO | 0 | 0.043 | 0.020 | 25.537 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | ALA | 0 | -0.057 | -0.030 | 21.385 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | LEU | 0 | 0.048 | 0.038 | 20.148 | -0.812 | -0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | LYS | 1 | 0.862 | 0.926 | 16.755 | 14.955 | 14.955 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | VAL | 0 | 0.020 | 0.010 | 16.704 | -0.928 | -0.928 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | ILE | 0 | -0.033 | 0.004 | 11.372 | -0.548 | -0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | LYS | 1 | 0.968 | 0.977 | 14.723 | 16.145 | 16.145 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | LEU | 0 | -0.092 | -0.010 | 10.719 | -1.111 | -1.111 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | GLU | -1 | -0.788 | -0.912 | 13.020 | -15.382 | -15.382 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | GLN | 0 | -0.009 | 0.019 | 9.043 | 0.647 | 0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | ASN | 0 | -0.019 | 0.022 | 12.932 | -0.641 | -0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | TYR | 0 | -0.012 | -0.074 | 7.712 | -1.599 | -1.599 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | ARG | 1 | 0.815 | 0.873 | 13.163 | 14.277 | 14.277 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | SER | 0 | -0.002 | -0.034 | 16.604 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | SER | 0 | 0.053 | 0.046 | 18.245 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | GLY | 0 | 0.033 | -0.009 | 19.750 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | ARG | 0 | -0.066 | -0.067 | 20.492 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | ILE | 0 | -0.031 | 0.013 | 22.486 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | LEU | 0 | -0.037 | -0.015 | 17.921 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | LYN | 0 | -0.058 | 0.003 | 22.153 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | ALA | 0 | 0.033 | -0.007 | 24.349 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | ALA | 0 | -0.021 | -0.013 | 24.326 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | ASN | 0 | -0.058 | -0.044 | 21.732 | -0.534 | -0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | ILE | 0 | -0.025 | -0.002 | 24.853 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | LEU | 0 | 0.027 | 0.018 | 28.228 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | ILE | 0 | -0.048 | -0.020 | 25.568 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | ALA | 0 | 0.001 | -0.003 | 28.271 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | ASN | 0 | -0.067 | -0.028 | 29.660 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | ASN | 0 | 0.017 | 0.013 | 31.145 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | PRO | 0 | -0.053 | -0.004 | 31.522 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | HIS | 0 | 0.025 | -0.012 | 27.339 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | VAL | 0 | -0.022 | 0.021 | 27.963 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | PHE | 0 | -0.072 | -0.063 | 23.555 | -0.504 | -0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | GLU | -1 | -0.906 | -0.951 | 23.866 | -11.370 | -11.370 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | LYS | 1 | 0.809 | 0.916 | 19.425 | 12.347 | 12.347 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | ARG | 1 | 0.859 | 0.927 | 19.015 | 14.271 | 14.271 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | LEU | 0 | 0.034 | 0.029 | 17.908 | -0.796 | -0.796 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | PHE | 0 | -0.016 | -0.038 | 13.124 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | SER | 0 | -0.079 | -0.035 | 14.348 | -0.988 | -0.988 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | GLU | -1 | -0.902 | -0.941 | 10.224 | -17.803 | -17.803 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | LEU | 0 | -0.071 | -0.041 | 13.548 | 0.630 | 0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | GLY | 0 | 0.007 | 0.015 | 15.578 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | TYR | -1 | -0.848 | -0.945 | 18.718 | -10.850 | -10.850 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | GLY | 0 | -0.021 | -0.021 | 21.739 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | ALA | 0 | 0.008 | 0.011 | 24.209 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | GLU | -1 | -0.799 | -0.868 | 27.726 | -9.108 | -9.108 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | LEU | 0 | -0.041 | -0.016 | 27.408 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | LYS | 1 | 0.983 | 0.986 | 31.077 | 8.296 | 8.296 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | VAL | 0 | 0.006 | 0.001 | 34.500 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | LEU | 0 | -0.027 | -0.004 | 37.247 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | SER | 0 | 0.084 | 0.035 | 39.967 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | ALA | 0 | -0.040 | -0.001 | 43.244 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | ASN | 0 | 0.006 | -0.040 | 45.388 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | ASN | 0 | 0.015 | -0.016 | 48.896 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | GLU | -1 | -0.777 | -0.938 | 47.388 | -6.492 | -6.492 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | GLU | -1 | -0.894 | -0.956 | 46.493 | -6.091 | -6.091 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | HIS | 0 | 0.003 | 0.006 | 46.783 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | GLU | -1 | -0.762 | -0.896 | 41.425 | -7.252 | -7.252 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | ALA | 0 | -0.026 | -0.002 | 42.177 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | GLU | -1 | -0.899 | -0.957 | 42.583 | -6.155 | -6.155 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | ARG | 1 | 0.876 | 0.927 | 39.734 | 6.983 | 6.983 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | VAL | 0 | 0.029 | 0.023 | 37.510 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | THR | 0 | 0.007 | 0.011 | 38.901 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | GLY | 0 | 0.043 | 0.018 | 39.960 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | GLU | -1 | -0.882 | -0.960 | 37.035 | -7.523 | -7.523 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | LEU | 0 | -0.071 | -0.023 | 34.323 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | ILE | 0 | -0.039 | -0.013 | 35.801 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | ALA | 0 | -0.038 | -0.017 | 37.577 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | HIS | 0 | 0.011 | 0.021 | 29.393 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | HIS | 0 | 0.063 | 0.043 | 32.858 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | PHE | 0 | -0.063 | -0.002 | 33.933 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | VAL | 0 | -0.062 | -0.047 | 35.033 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | ASN | 0 | -0.023 | -0.013 | 29.351 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | LYN | 0 | -0.077 | -0.013 | 30.313 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | THR | 0 | -0.073 | -0.074 | 26.822 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | GLN | 0 | 0.068 | -0.004 | 27.549 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | TYR | 0 | 0.000 | 0.017 | 30.316 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | LYS | 1 | 0.866 | 0.905 | 26.493 | 10.362 | 10.362 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | ASP | -1 | -0.930 | -0.995 | 26.286 | -10.429 | -10.429 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | TYR | 0 | -0.028 | -0.007 | 27.751 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | ALA | 0 | 0.063 | 0.037 | 29.341 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | ILE | 0 | -0.030 | -0.016 | 31.141 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | LEU | 0 | -0.015 | -0.026 | 29.778 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | TYR | 0 | 0.029 | 0.034 | 34.280 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | ARG | 1 | 0.956 | 0.977 | 36.405 | 7.834 | 7.834 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | GLY | 0 | 0.019 | 0.003 | 38.268 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | ASN | 0 | 0.065 | 0.005 | 39.733 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | HIS | 0 | 0.009 | 0.021 | 42.242 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | GLN | 0 | 0.066 | 0.031 | 41.227 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | SER | 0 | 0.023 | 0.012 | 41.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | ARG | 1 | 0.903 | 0.949 | 42.257 | 6.542 | 6.542 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 357 | VAL | 0 | -0.018 | -0.023 | 44.581 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 358 | PHE | 0 | 0.054 | 0.016 | 39.534 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 359 | GLU | -1 | -0.900 | -0.953 | 42.181 | -6.989 | -6.989 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 360 | LYS | 1 | 0.844 | 0.921 | 43.477 | 6.033 | 6.033 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 361 | PHE | 0 | 0.078 | 0.015 | 43.970 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 362 | LEU | 0 | 0.080 | 0.038 | 38.862 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 363 | MET | 0 | 0.020 | 0.024 | 42.229 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 364 | GLN | 0 | -0.149 | -0.075 | 44.630 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 365 | ASN | 0 | -0.045 | -0.024 | 43.320 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 366 | ARG | 1 | 0.852 | 0.921 | 43.522 | 6.188 | 6.188 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 367 | ILE | 0 | -0.012 | 0.040 | 38.187 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 368 | PRO | 0 | -0.015 | 0.015 | 37.172 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 369 | TYR | 0 | 0.011 | -0.030 | 36.372 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 370 | LYN | 0 | -0.067 | 0.037 | 31.996 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 371 | ILE | 0 | 0.038 | -0.011 | 36.365 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 372 | SER | 0 | -0.015 | -0.002 | 35.011 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 373 | GLY | 0 | -0.025 | -0.004 | 35.718 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 374 | GLY | 0 | -0.008 | -0.003 | 37.939 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 375 | THR | 0 | -0.061 | -0.049 | 40.937 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 376 | SER | 0 | 0.045 | 0.037 | 38.958 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 377 | PHE | 0 | 0.127 | 0.054 | 39.646 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 378 | PHE | 0 | -0.014 | -0.003 | 37.741 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 379 | SER | 0 | -0.022 | -0.011 | 42.277 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 380 | ARG | 1 | 0.896 | 0.971 | 43.185 | 7.234 | 7.234 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 381 | PRO | 0 | -0.022 | -0.010 | 46.994 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 382 | GLU | -1 | -0.671 | -0.867 | 48.366 | -6.540 | -6.540 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 383 | ILE | 0 | 0.006 | 0.016 | 44.222 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 384 | LYS | 1 | 0.832 | 0.916 | 46.703 | 6.886 | 6.886 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 385 | ASP | -1 | -0.866 | -0.851 | 48.364 | -6.003 | -6.003 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 386 | LEU | 0 | 0.011 | 0.000 | 48.431 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 387 | LEU | 0 | -0.001 | 0.003 | 44.187 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 388 | ALA | 0 | -0.006 | 0.009 | 47.889 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 389 | TYR | 0 | -0.001 | -0.008 | 50.727 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 390 | LEU | 0 | 0.040 | 0.028 | 46.133 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 391 | ARG | 1 | 0.839 | 0.915 | 47.113 | 6.668 | 6.668 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 392 | VAL | 0 | 0.044 | 0.002 | 49.050 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 393 | LEU | 0 | -0.084 | -0.032 | 50.805 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 394 | THR | 0 | -0.087 | -0.044 | 46.510 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 395 | ASN | 0 | -0.004 | 0.019 | 48.686 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 396 | PRO | 0 | -0.012 | -0.017 | 50.603 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 397 | ASP | -1 | -0.853 | -0.925 | 52.465 | -5.857 | -5.857 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 398 | ASP | -1 | -0.758 | -0.868 | 50.114 | -6.504 | -6.504 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 399 | ASP | -1 | -0.803 | -0.916 | 52.977 | -5.645 | -5.645 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 400 | SER | 0 | 0.007 | -0.001 | 52.094 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 401 | ALA | 0 | -0.016 | -0.003 | 51.343 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 402 | PHE | 0 | 0.016 | 0.001 | 53.264 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 403 | LEU | 0 | -0.066 | -0.056 | 56.801 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 404 | ARG | 1 | 0.885 | 0.952 | 51.619 | 6.248 | 6.248 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 405 | ILE | 0 | 0.005 | 0.042 | 54.418 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 406 | VAL | 0 | -0.033 | -0.013 | 57.229 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 407 | ASN | 0 | -0.086 | -0.070 | 60.807 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 408 | THR | 0 | 0.120 | -0.002 | 56.991 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 409 | PRO | 0 | -0.025 | -0.002 | 56.755 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 410 | LYS | 1 | 0.879 | 0.993 | 59.448 | 5.175 | 5.175 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 411 | ARG | 1 | 0.958 | 0.996 | 63.215 | 4.935 | 4.935 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 412 | GLU | -1 | -0.961 | -1.001 | 65.777 | -4.565 | -4.565 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 413 | ILE | 0 | -0.038 | -0.008 | 64.525 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 414 | GLY | 0 | 0.044 | 0.014 | 66.547 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 415 | PRO | 0 | 0.101 | 0.026 | 66.834 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 416 | ALA | 0 | -0.020 | 0.010 | 67.848 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 417 | THR | 0 | -0.026 | -0.013 | 68.378 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 418 | LEU | 0 | 0.046 | 0.016 | 63.479 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 419 | LYS | 1 | 0.787 | 0.893 | 66.313 | 4.564 | 4.564 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 420 | LYS | 1 | 0.944 | 0.953 | 67.935 | 4.406 | 4.406 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 421 | LEU | 0 | -0.033 | 0.024 | 63.805 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 422 | GLY | 0 | 0.110 | 0.051 | 64.143 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 423 | GLU | -1 | -0.758 | -0.873 | 65.117 | -4.673 | -4.673 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 424 | TRP | 0 | -0.042 | -0.012 | 66.944 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 425 | ALA | 0 | 0.003 | -0.026 | 62.832 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 426 | MET | 0 | -0.031 | 0.018 | 61.484 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 427 | THR | 0 | -0.024 | -0.029 | 64.475 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 428 | ARG | 1 | 0.832 | 0.926 | 65.706 | 4.662 | 4.662 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 429 | ASN | 0 | -0.076 | -0.049 | 61.399 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 430 | LYS | 1 | 0.849 | 0.910 | 59.522 | 5.048 | 5.048 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 431 | SER | 0 | 0.129 | 0.090 | 57.348 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 432 | MET | 0 | 0.008 | 0.021 | 59.214 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 433 | PHE | 0 | 0.020 | 0.010 | 57.513 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 434 | THR | 0 | 0.030 | -0.019 | 58.496 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 435 | ALA | 0 | 0.004 | 0.019 | 61.059 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 436 | SER | 0 | -0.105 | -0.035 | 63.383 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 437 | PHE | 0 | -0.032 | -0.015 | 61.890 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 438 | ASP | -1 | -0.844 | -0.890 | 65.892 | -4.897 | -4.897 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 439 | MET | 0 | 0.027 | 0.002 | 68.178 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 440 | GLY | 0 | -0.015 | -0.006 | 71.190 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 441 | LEU | 0 | 0.025 | 0.026 | 68.042 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 442 | SER | 0 | -0.017 | -0.047 | 71.451 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 443 | GLN | 0 | -0.005 | 0.011 | 74.171 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 444 | THR | 0 | -0.096 | -0.036 | 72.667 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 445 | LEU | 0 | -0.033 | -0.030 | 70.561 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 446 | SER | 0 | 0.034 | 0.002 | 74.468 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 447 | GLY | 0 | 0.009 | 0.021 | 75.927 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 448 | ARG | 1 | 1.008 | 0.971 | 74.745 | 4.250 | 4.250 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 449 | GLY | 0 | 0.040 | 0.035 | 71.468 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 450 | TYR | 0 | 0.048 | 0.042 | 70.558 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 451 | GLU | -1 | -0.921 | -0.958 | 70.756 | -4.615 | -4.615 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 452 | ALA | 0 | 0.065 | 0.027 | 68.548 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 453 | LEU | 0 | -0.062 | -0.037 | 65.137 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 454 | THR | 0 | -0.004 | -0.023 | 66.063 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 455 | ARG | 1 | 0.922 | 0.975 | 65.654 | 4.842 | 4.842 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 456 | PHE | 0 | 0.030 | 0.006 | 59.022 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 457 | THR | 0 | 0.037 | 0.009 | 61.644 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 458 | HIS | 0 | -0.009 | -0.002 | 61.715 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 459 | TRP | 0 | -0.025 | -0.001 | 57.764 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 460 | LEU | 0 | 0.036 | 0.019 | 56.084 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 461 | ALA | 0 | 0.024 | 0.014 | 57.747 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 462 | GLU | -1 | -0.990 | -0.994 | 58.159 | -5.442 | -5.442 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 463 | ILE | 0 | 0.038 | 0.029 | 54.306 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 464 | GLN | 0 | -0.023 | -0.016 | 53.661 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 465 | ARG | 1 | 0.877 | 0.926 | 53.911 | 5.344 | 5.344 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 466 | LEU | 0 | 0.028 | 0.004 | 54.036 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 467 | ALA | 0 | 0.045 | -0.003 | 50.333 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 468 | GLU | -1 | -0.990 | -0.993 | 49.775 | -6.518 | -6.518 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 469 | ARG | 1 | 0.829 | 0.923 | 49.548 | 5.804 | 5.804 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 470 | GLU | -1 | -0.932 | -0.962 | 49.109 | -6.257 | -6.257 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 471 | PRO | 0 | 0.016 | 0.021 | 45.998 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 472 | ILE | 0 | 0.062 | 0.045 | 45.922 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 473 | ALA | 0 | 0.097 | 0.021 | 48.137 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 474 | ALA | 0 | 0.017 | 0.046 | 51.325 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 475 | VAL | 0 | 0.026 | 0.004 | 47.953 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 476 | ARG | 1 | 0.886 | 0.951 | 49.718 | 6.390 | 6.390 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 477 | ASP | -1 | -0.891 | -0.970 | 52.032 | -5.708 | -5.708 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 478 | LEU | 0 | -0.102 | -0.038 | 52.185 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 479 | ILE | 0 | -0.026 | -0.028 | 50.569 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 480 | HIS | 0 | 0.006 | -0.013 | 54.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 481 | GLY | 0 | -0.048 | -0.008 | 57.065 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 482 | MET | 0 | -0.094 | -0.028 | 54.542 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 483 | ASP | -1 | -0.876 | -0.940 | 58.995 | -5.253 | -5.253 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 484 | TYR | 0 | -0.096 | -0.110 | 52.548 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 485 | GLU | -1 | -0.847 | -0.951 | 54.442 | -5.845 | -5.845 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 486 | SER | 0 | 0.038 | 0.024 | 56.187 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 487 | TRP | 0 | 0.068 | 0.038 | 56.531 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 488 | LEU | 0 | -0.050 | -0.041 | 52.690 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 489 | TYR | 0 | -0.048 | -0.025 | 54.875 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 490 | GLU | -1 | -0.966 | -0.958 | 58.896 | -5.018 | -5.018 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 491 | THR | 0 | -0.107 | -0.030 | 56.861 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 492 | SER | 0 | -0.066 | -0.070 | 55.431 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 493 | PRO | 0 | -0.001 | -0.003 | 55.486 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 494 | SER | 0 | -0.033 | -0.004 | 55.806 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 495 | PRO | 0 | 0.103 | 0.030 | 56.949 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 496 | LYS | 1 | 1.008 | 1.004 | 52.521 | 5.687 | 5.687 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 497 | ALA | 0 | 0.001 | 0.006 | 51.654 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 498 | ALA | 0 | 0.070 | 0.057 | 51.790 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 499 | GLU | -1 | -0.865 | -0.930 | 50.668 | -6.194 | -6.194 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 500 | MET | 0 | -0.059 | 0.013 | 44.813 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 501 | ARG | 1 | 0.903 | 0.920 | 48.247 | 5.983 | 5.983 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 502 | MET | 0 | -0.041 | -0.003 | 49.092 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 503 | LYS | 1 | 0.937 | 0.972 | 45.820 | 6.450 | 6.450 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 504 | ASN | 0 | -0.134 | -0.091 | 44.596 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 505 | VAL | 0 | 0.015 | 0.006 | 45.002 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 506 | ASN | 0 | 0.012 | -0.009 | 46.179 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 507 | GLN | 0 | 0.075 | 0.050 | 38.379 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 508 | LEU | 0 | 0.009 | 0.016 | 42.149 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 509 | PHE | 0 | -0.065 | -0.021 | 42.752 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 510 | SER | 0 | 0.026 | -0.009 | 40.878 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 511 | TRP | 0 | 0.061 | 0.041 | 35.926 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 512 | MET | 0 | -0.009 | -0.019 | 39.097 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 513 | THR | 0 | -0.054 | -0.040 | 40.721 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 514 | GLU | -1 | -0.854 | -0.928 | 35.092 | -9.065 | -9.065 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 515 | MET | 0 | -0.054 | -0.028 | 35.399 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 516 | LEU | 0 | -0.105 | -0.054 | 37.463 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 517 | GLU | -1 | -1.009 | -1.021 | 39.109 | -7.657 | -7.657 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 518 | GLY | 0 | -0.034 | -0.004 | 35.828 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 519 | SER | 0 | 0.020 | 0.035 | 29.863 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 520 | GLU | -1 | -0.878 | -0.936 | 30.118 | -9.557 | -9.557 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 521 | LEU | 0 | -0.120 | -0.107 | 24.450 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 522 | ASP | -1 | -0.911 | -0.971 | 27.098 | -11.839 | -11.839 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 523 | GLU | -1 | -0.898 | -0.970 | 29.869 | -9.901 | -9.901 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 524 | PRO | 0 | 0.067 | 0.034 | 32.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 525 | MET | 0 | -0.089 | -0.020 | 35.933 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 526 | THR | 0 | 0.013 | 0.002 | 38.354 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 527 | LEU | 0 | 0.116 | 0.021 | 41.375 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 528 | THR | 0 | 0.062 | 0.021 | 42.769 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 529 | GLN | 0 | 0.005 | 0.021 | 37.185 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 530 | VAL | 0 | 0.025 | 0.023 | 39.277 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 531 | VAL | 0 | 0.042 | 0.026 | 40.294 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 532 | THR | 0 | -0.027 | -0.024 | 39.091 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 533 | ARG | 1 | 0.818 | 0.913 | 32.530 | 9.475 | 9.475 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 534 | PHE | 0 | 0.095 | 0.047 | 37.874 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 535 | THR | 0 | -0.041 | -0.009 | 40.069 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 536 | LEU | 0 | -0.077 | -0.039 | 35.670 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 537 | ARG | 1 | 0.913 | 0.936 | 36.215 | 7.888 | 7.888 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 538 | ASP | -1 | -0.911 | -0.956 | 32.449 | -10.155 | -10.155 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 539 | MET | 0 | -0.067 | -0.056 | 34.802 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 540 | MET | 0 | -0.044 | 0.003 | 32.026 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 541 | GLU | -1 | -0.893 | -0.971 | 29.034 | -10.525 | -10.525 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 542 | ARG | 1 | 0.857 | 0.937 | 25.689 | 11.825 | 11.825 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 543 | GLY | 0 | -0.064 | -0.051 | 30.937 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 544 | GLU | -1 | -0.878 | -0.907 | 32.010 | -9.016 | -9.016 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 545 | SER | 0 | 0.021 | -0.041 | 28.951 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 546 | GLU | -1 | -1.068 | -1.017 | 26.663 | -10.485 | -10.485 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 547 | GLU | -1 | -0.986 | -1.005 | 28.377 | -8.613 | -8.613 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 548 | GLU | -1 | -0.854 | -0.900 | 26.056 | -10.551 | -10.551 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 549 | LEU | 0 | 0.021 | -0.004 | 30.508 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 550 | ASP | -1 | -0.900 | -0.944 | 31.069 | -8.903 | -8.903 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 551 | GLN | 0 | -0.041 | -0.042 | 32.174 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 552 | VAL | 0 | 0.039 | -0.005 | 32.631 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 553 | GLN | 0 | -0.098 | -0.035 | 29.363 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 554 | LEU | 0 | 0.014 | 0.051 | 32.433 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 555 | MET | 0 | -0.042 | -0.048 | 29.701 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 556 | THR | 0 | -0.058 | -0.003 | 34.522 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 557 | LEU | 0 | 0.085 | 0.044 | 31.673 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 558 | HIS | 0 | 0.044 | 0.020 | 31.374 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 559 | ALA | 0 | -0.097 | -0.034 | 31.267 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 560 | SER | 0 | 0.028 | -0.017 | 28.194 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 561 | LYS | 1 | 0.789 | 0.888 | 26.095 | 10.960 | 10.960 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 562 | GLY | 0 | -0.051 | 0.007 | 22.917 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 563 | LEU | 0 | 0.040 | -0.008 | 23.242 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 564 | GLU | -1 | -0.981 | -0.980 | 18.432 | -14.896 | -14.896 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 565 | PHE | 0 | 0.059 | 0.032 | 22.790 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 566 | PRO | 0 | -0.013 | 0.036 | 23.400 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 567 | TYR | 0 | 0.027 | -0.006 | 24.331 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 568 | VAL | 0 | 0.033 | 0.028 | 27.548 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 569 | TYR | 0 | -0.003 | 0.003 | 29.791 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 570 | MET | 0 | -0.061 | -0.010 | 31.105 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 571 | VAL | 0 | -0.060 | -0.043 | 34.005 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 572 | GLY | 0 | 0.034 | 0.034 | 37.812 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 573 | MET | 0 | -0.068 | -0.029 | 35.750 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 574 | GLU | -1 | -0.797 | -0.912 | 39.465 | -6.850 | -6.850 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 575 | GLU | -1 | -0.828 | -0.919 | 41.940 | -7.379 | -7.379 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 576 | GLY | 0 | -0.019 | -0.044 | 43.174 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 577 | PHE | 0 | -0.016 | -0.012 | 42.305 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 578 | LEU | 0 | 0.044 | 0.017 | 35.464 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 579 | PRO | 0 | -0.017 | 0.010 | 38.925 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 580 | HIS | 0 | -0.001 | 0.004 | 40.370 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 581 | GLN | 0 | -0.001 | 0.003 | 42.776 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 582 | SER | 0 | 0.011 | 0.021 | 43.521 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 583 | SER | 0 | 0.048 | 0.022 | 40.188 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 584 | ILE | 0 | -0.074 | -0.039 | 42.825 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 585 | ASP | -1 | -1.051 | -1.047 | 44.660 | -6.481 | -6.481 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 586 | GLU | -1 | -0.953 | -0.959 | 43.745 | -6.795 | -6.795 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 587 | ASP | -1 | -0.991 | -1.003 | 42.786 | -7.449 | -7.449 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 588 | ASN | 0 | -0.053 | -0.003 | 37.098 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 589 | ILE | 0 | 0.089 | 0.026 | 37.833 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 590 | ASP | -1 | -0.877 | -0.957 | 34.278 | -8.878 | -8.878 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 591 | GLU | -1 | -0.905 | -0.969 | 33.803 | -9.547 | -9.547 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 592 | GLU | -1 | -0.774 | -0.896 | 33.804 | -8.376 | -8.376 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 593 | ARG | 1 | 0.839 | 0.938 | 32.843 | 8.566 | 8.566 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 594 | ARG | 1 | 0.892 | 0.967 | 29.693 | 9.544 | 9.544 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 595 | LEU | 0 | -0.014 | 0.004 | 30.105 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 596 | ALA | 0 | 0.042 | 0.019 | 31.079 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 597 | TYR | 0 | -0.005 | -0.021 | 22.510 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 598 | VAL | 0 | -0.033 | -0.024 | 26.450 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 599 | GLY | 0 | 0.042 | 0.027 | 26.718 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 600 | ILE | 0 | -0.022 | -0.014 | 26.971 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 601 | THR | 0 | -0.122 | -0.099 | 22.176 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 602 | ARG | 0 | -0.030 | 0.051 | 22.457 | -1.169 | -1.169 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 603 | ALA | 0 | 0.063 | 0.032 | 23.874 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 604 | GLN | 0 | -0.049 | 0.006 | 18.929 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 605 | LYS | 1 | 0.934 | 0.951 | 19.198 | 12.233 | 12.233 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 606 | GLU | -1 | -0.890 | -0.959 | 23.395 | -9.213 | -9.213 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 607 | LEU | 0 | 0.027 | 0.021 | 26.852 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 608 | THR | 0 | -0.043 | -0.033 | 29.044 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 609 | PHE | 0 | 0.045 | 0.008 | 31.288 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 610 | THR | 0 | -0.046 | -0.038 | 35.248 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 611 | LEU | 0 | -0.024 | 0.043 | 38.834 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 612 | CYS | 0 | 0.041 | 0.077 | 42.070 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 613 | LYS | 1 | 0.792 | 0.906 | 45.507 | 5.938 | 5.938 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 614 | GLU | -1 | -0.841 | -0.918 | 48.225 | -5.561 | -5.561 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 615 | ARG | 1 | 0.862 | 0.965 | 48.029 | 6.244 | 6.244 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 616 | ARG | 1 | 0.920 | 0.959 | 47.896 | 6.299 | 6.299 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 617 | GLN | 0 | -0.053 | -0.037 | 50.573 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 618 | TYR | 0 | 0.017 | -0.014 | 53.139 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 619 | GLY | 0 | -0.036 | 0.007 | 56.360 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 620 | GLU | -1 | -0.942 | -0.971 | 57.980 | -4.999 | -4.999 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 621 | LEU | 0 | -0.043 | -0.020 | 55.040 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 622 | VAL | 0 | -0.051 | -0.038 | 52.084 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 623 | ARG | 1 | 0.988 | 1.004 | 51.703 | 5.344 | 5.344 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 624 | PRO | 0 | -0.055 | -0.017 | 46.883 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 625 | GLU | -1 | -0.900 | -0.949 | 46.184 | -6.352 | -6.352 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 626 | PRO | 0 | 0.024 | -0.003 | 41.339 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 627 | SER | 0 | 0.016 | 0.005 | 38.402 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 628 | ARG | 1 | 0.933 | 0.966 | 38.565 | 7.349 | 7.349 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 629 | PHE | 0 | 0.006 | -0.003 | 34.906 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 630 | LEU | 0 | -0.082 | -0.041 | 35.383 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 631 | LEU | 0 | -0.017 | -0.021 | 36.174 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 632 | GLU | -1 | -0.858 | -0.919 | 34.706 | -8.379 | -8.379 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 633 | LEU | 0 | -0.049 | -0.017 | 30.541 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 634 | PRO | 0 | -0.049 | -0.008 | 28.894 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 635 | GLN | 0 | 0.048 | -0.020 | 31.987 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 636 | ASP | -1 | -1.009 | -0.983 | 31.100 | -8.707 | -8.707 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 637 | ASH | 0 | 0.083 | 0.032 | 28.143 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 638 | LEU | 0 | -0.029 | 0.032 | 30.983 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 639 | ILE | 0 | -0.002 | -0.004 | 33.797 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 640 | TRP | 0 | -0.054 | -0.036 | 36.604 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |