FMODB ID: 49J6N
Calculation Name: 1FX0-B-Xray372
Preferred Name: Chloroplast coupling factor 1
Target Type: PROTEIN COMPLEX
Ligand Name:
ligand 3-letter code:
PDB ID: 1FX0
Chain ID: B
ChEMBL ID: CHEMBL2366567
UniProt ID: P06450
Base Structure: X-ray
Registration Date: 2023-06-22
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 | 467 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8192511.008929 |
---|---|
FMO2-HF: Nuclear repulsion | 8015950.938924 |
FMO2-HF: Total energy | -176560.070005 |
FMO2-MP2: Total energy | -177076.689065 |
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(B:19:ASN)
Summations of interaction energy for
fragment #1(B:19:ASN)
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. |
-25.94 | -36.118 | 47.344 | -14.799 | -22.365 | 0.007 |
Interaction energy analysis for fragmet #1(B:19:ASN)
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 | B | 21 | GLY | 0 | -0.002 | 0.021 | 3.799 | -0.819 | 1.484 | -0.031 | -1.221 | -1.051 | -0.002 |
4 | B | 22 | ARG | 1 | 0.923 | 0.962 | 5.361 | 0.325 | 0.323 | -0.001 | 0.000 | 0.004 | 0.000 |
5 | B | 23 | ILE | 0 | 0.017 | 0.024 | 9.124 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 24 | ALA | 0 | -0.010 | -0.012 | 11.720 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 25 | GLN | 0 | -0.063 | -0.048 | 14.011 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 26 | ILE | 0 | 0.044 | 0.027 | 15.873 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 27 | ILE | 0 | 0.006 | 0.019 | 18.132 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 28 | GLY | 0 | 0.080 | 0.043 | 21.047 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 29 | PRO | 0 | -0.005 | -0.013 | 19.552 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 30 | VAL | 0 | 0.018 | 0.012 | 16.636 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 31 | LEU | 0 | -0.015 | -0.019 | 12.226 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 32 | ASN | 0 | -0.002 | -0.018 | 12.979 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 33 | VAL | 0 | 0.023 | 0.013 | 6.905 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 34 | ALA | 0 | 0.000 | -0.009 | 8.644 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 35 | PHE | 0 | 0.039 | 0.015 | 2.169 | -1.681 | -0.767 | 1.393 | -0.690 | -1.617 | -0.004 |
18 | B | 36 | PRO | 0 | -0.025 | 0.003 | 3.893 | -0.029 | 0.127 | 0.000 | -0.031 | -0.125 | 0.000 |
19 | B | 37 | PRO | 0 | 0.042 | -0.004 | 6.973 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 38 | GLY | 0 | -0.032 | 0.006 | 7.644 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 39 | LYN | 0 | -0.012 | -0.001 | 1.822 | -3.569 | -5.048 | 11.229 | -3.281 | -6.469 | 0.024 |
22 | B | 40 | MET | 0 | -0.014 | -0.021 | 3.857 | -1.411 | -1.131 | 0.005 | -0.077 | -0.207 | 0.001 |
23 | B | 41 | PRO | 0 | -0.016 | 0.028 | 3.263 | -1.003 | -0.531 | 0.010 | -0.086 | -0.396 | 0.000 |
24 | B | 42 | ASN | 0 | 0.027 | 0.003 | 4.305 | 1.456 | 1.553 | -0.001 | -0.017 | -0.079 | 0.000 |
25 | B | 43 | ILE | 0 | 0.017 | -0.006 | 7.703 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 44 | TYR | 0 | -0.016 | -0.034 | 10.683 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 45 | ASN | 0 | -0.028 | 0.022 | 6.295 | 0.615 | 0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 46 | ALA | 0 | -0.006 | -0.005 | 8.394 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 47 | LEU | 0 | -0.049 | -0.018 | 4.772 | -0.260 | -0.177 | -0.001 | -0.004 | -0.077 | 0.000 |
30 | B | 48 | ILE | 0 | 0.036 | 0.019 | 7.385 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 49 | VAL | 0 | -0.032 | -0.035 | 8.198 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 50 | LYS | 1 | 0.956 | 0.959 | 7.442 | 0.700 | 0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 51 | GLY | 0 | 0.003 | 0.023 | 11.971 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 52 | ARG | 1 | 0.929 | 0.929 | 15.672 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 53 | ASP | -1 | -0.897 | -0.928 | 18.751 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 54 | THR | 0 | -0.006 | -0.019 | 22.260 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 55 | ALA | 0 | -0.033 | 0.008 | 24.070 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 56 | GLY | 0 | 0.103 | 0.041 | 22.145 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 57 | GLN | 0 | -0.067 | -0.035 | 16.815 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 58 | PRO | 0 | -0.001 | 0.029 | 17.246 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 59 | MET | 0 | 0.024 | 0.004 | 9.931 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 60 | ASN | 0 | 0.056 | 0.022 | 13.698 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 61 | VAL | 0 | -0.026 | 0.016 | 13.302 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 62 | THR | 0 | 0.071 | 0.054 | 12.052 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 63 | CYS | 0 | -0.088 | -0.019 | 10.965 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 64 | GLU | -1 | -0.758 | -0.856 | 11.224 | -0.826 | -0.826 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 65 | VAL | 0 | -0.018 | 0.006 | 7.088 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 66 | GLN | 0 | 0.024 | 0.012 | 10.191 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 67 | GLN | 0 | -0.010 | -0.016 | 12.029 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 68 | LEU | 0 | 0.046 | 0.033 | 8.345 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 69 | LEU | 0 | -0.031 | -0.017 | 11.891 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 70 | GLY | 0 | 0.060 | 0.057 | 13.049 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 71 | ASN | 0 | -0.043 | -0.049 | 14.100 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 72 | ASN | 0 | -0.009 | 0.009 | 9.614 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 73 | ARG | 1 | 0.915 | 0.942 | 9.843 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 74 | VAL | 0 | 0.031 | 0.041 | 7.022 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 75 | ARG | 1 | 0.828 | 0.931 | 10.035 | 0.610 | 0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 76 | ALA | 0 | -0.009 | -0.024 | 10.813 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 77 | VAL | 0 | 0.035 | 0.044 | 12.976 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 78 | ALA | 0 | 0.032 | -0.013 | 14.834 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 79 | MET | 0 | -0.062 | -0.023 | 15.473 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 80 | SER | 0 | -0.025 | -0.041 | 17.326 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 81 | ALA | 0 | 0.009 | -0.004 | 18.996 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 82 | THR | 0 | -0.046 | -0.031 | 17.112 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 83 | ASP | -1 | -0.873 | -0.928 | 19.469 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 84 | GLY | 0 | 0.006 | -0.006 | 21.840 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 85 | LEU | 0 | -0.057 | -0.021 | 15.189 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 86 | THR | 0 | 0.026 | 0.002 | 17.081 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 87 | ARG | 1 | 0.937 | 0.962 | 15.236 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 88 | GLY | 0 | -0.036 | -0.016 | 13.235 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 89 | MET | 0 | -0.073 | -0.006 | 12.263 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 90 | GLU | -1 | -0.905 | -0.964 | 8.035 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 91 | VAL | 0 | -0.029 | -0.017 | 6.262 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 92 | ILE | 0 | -0.014 | -0.014 | 1.864 | -1.795 | -2.284 | 4.360 | -1.716 | -2.156 | 0.005 |
75 | B | 93 | ASP | -1 | -0.896 | -0.989 | 2.049 | -17.418 | -29.783 | 29.615 | -8.500 | -8.750 | -0.009 |
76 | B | 94 | THR | 0 | -0.016 | -0.001 | 2.811 | -1.368 | -1.516 | 0.766 | 0.824 | -1.442 | -0.008 |
77 | B | 95 | GLY | 0 | 0.020 | 0.024 | 4.938 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 96 | ALA | 0 | -0.044 | -0.048 | 5.860 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 97 | PRO | 0 | -0.004 | -0.005 | 8.958 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 98 | LEU | 0 | 0.028 | 0.009 | 11.479 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 99 | SER | 0 | -0.042 | -0.012 | 13.696 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 100 | VAL | 0 | 0.068 | 0.035 | 15.471 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 101 | PRO | 0 | -0.038 | -0.019 | 18.987 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 102 | VAL | 0 | 0.013 | -0.001 | 20.935 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 103 | GLY | 0 | 0.050 | 0.005 | 24.033 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 104 | GLY | 0 | 0.019 | 0.010 | 27.378 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 105 | PRO | 0 | 0.004 | 0.027 | 26.538 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 106 | THR | 0 | -0.056 | -0.055 | 25.883 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 107 | LEU | 0 | 0.021 | -0.008 | 28.516 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 108 | GLY | 0 | -0.031 | -0.016 | 32.234 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 109 | ARG | 1 | 0.738 | 0.846 | 27.428 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 110 | ILE | 0 | -0.015 | -0.003 | 28.507 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 111 | PHE | 0 | -0.062 | -0.026 | 23.565 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 112 | ASN | 0 | -0.011 | 0.000 | 20.464 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 113 | VAL | 0 | -0.003 | -0.010 | 20.282 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 114 | LEU | 0 | -0.032 | -0.027 | 15.700 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 115 | GLY | 0 | -0.010 | 0.000 | 18.188 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 116 | GLU | -1 | -0.894 | -0.943 | 17.716 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 117 | PRO | 0 | -0.024 | -0.010 | 21.510 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 118 | VAL | 0 | 0.014 | -0.001 | 24.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 119 | ASP | -1 | -0.757 | -0.873 | 27.083 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 120 | ASN | 0 | -0.059 | -0.023 | 29.041 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 121 | LEU | 0 | 0.022 | 0.017 | 29.706 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 122 | ARG | 1 | 0.931 | 0.965 | 28.376 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 123 | PRO | 0 | 0.024 | 0.020 | 23.759 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 124 | VAL | 0 | 0.027 | 0.008 | 23.392 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 125 | ASP | -1 | -0.930 | -0.948 | 23.540 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 126 | THR | 0 | -0.016 | -0.028 | 21.599 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 127 | ARG | 1 | 0.915 | 0.968 | 23.730 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 128 | THR | 0 | 0.001 | -0.012 | 19.575 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 129 | THR | 0 | 0.008 | 0.025 | 16.103 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 130 | SER | 0 | -0.006 | -0.017 | 18.644 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 131 | PRO | 0 | -0.053 | 0.002 | 15.550 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 132 | ILE | 0 | 0.130 | 0.053 | 16.560 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 133 | HIS | 0 | -0.130 | -0.042 | 14.446 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 134 | ARG | 1 | 0.926 | 0.936 | 17.510 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 135 | SER | 0 | -0.011 | -0.011 | 20.213 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 136 | ALA | 0 | 0.011 | 0.006 | 22.321 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 137 | PRO | 0 | 0.020 | 0.020 | 25.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 138 | ALA | 0 | 0.005 | -0.011 | 28.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 139 | PHE | 0 | 0.039 | 0.008 | 29.833 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 140 | THR | 0 | -0.038 | -0.023 | 33.101 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 141 | GLN | 0 | -0.003 | 0.007 | 28.957 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 142 | LEU | 0 | 0.036 | 0.039 | 32.861 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 143 | ASP | -1 | -0.863 | -0.940 | 35.808 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 144 | THR | 0 | -0.003 | -0.025 | 39.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 145 | LYS | 1 | 0.919 | 0.974 | 42.612 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 146 | LEU | 0 | 0.015 | 0.004 | 43.581 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 147 | SER | 0 | 0.054 | 0.030 | 45.408 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 148 | ILE | 0 | 0.043 | 0.006 | 46.331 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 149 | PHE | 0 | 0.009 | -0.011 | 42.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 150 | GLU | -1 | -0.947 | -0.974 | 47.295 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 151 | THR | 0 | 0.014 | 0.028 | 46.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 152 | GLY | 0 | 0.034 | 0.018 | 49.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 153 | ILE | 0 | 0.028 | 0.029 | 48.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 154 | LYS | 1 | 0.873 | 0.954 | 52.521 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 155 | VAL | 0 | 0.000 | -0.013 | 52.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 156 | VAL | 0 | 0.038 | 0.021 | 47.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 157 | ASN | 0 | -0.007 | -0.024 | 49.674 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 158 | LEU | 0 | 0.035 | 0.025 | 51.779 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 159 | LEU | 0 | -0.042 | -0.024 | 52.808 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 160 | ALA | 0 | 0.015 | -0.012 | 47.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 161 | PRO | 0 | -0.038 | -0.002 | 48.032 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 162 | TYR | 0 | 0.063 | 0.019 | 43.519 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 163 | ARG | 1 | 0.974 | 0.957 | 42.890 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 164 | ARG | 1 | 0.906 | 0.949 | 42.081 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 165 | GLY | 0 | 0.000 | 0.000 | 38.126 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 166 | GLY | 0 | 0.002 | -0.010 | 37.574 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 167 | LYS | 1 | 0.760 | 0.892 | 32.450 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 168 | ILE | 0 | 0.011 | 0.006 | 37.527 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 169 | GLY | 0 | 0.050 | 0.023 | 38.306 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 170 | LEU | 0 | -0.061 | -0.029 | 39.337 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 171 | PHE | 0 | 0.008 | 0.003 | 38.113 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 172 | GLY | 0 | 0.095 | 0.039 | 41.522 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 173 | GLY | 0 | 0.056 | 0.032 | 41.510 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 174 | ALA | 0 | -0.043 | -0.039 | 41.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 175 | GLY | 0 | -0.030 | -0.015 | 42.736 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 176 | VAL | 0 | 0.015 | 0.010 | 44.020 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 177 | GLY | 0 | 0.053 | 0.017 | 45.083 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 178 | LYS | 1 | 0.898 | 0.963 | 39.575 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 179 | THR | 0 | 0.054 | 0.025 | 39.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 180 | VAL | 0 | 0.013 | -0.008 | 41.646 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 181 | LEU | 0 | -0.011 | 0.006 | 43.602 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 182 | ILE | 0 | 0.000 | 0.004 | 38.164 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 183 | MET | 0 | -0.021 | -0.004 | 40.321 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 184 | GLU | -1 | -0.800 | -0.905 | 43.417 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 185 | LEU | 0 | 0.026 | 0.021 | 42.353 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 186 | ILE | 0 | 0.008 | -0.005 | 39.018 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 187 | ASN | 0 | -0.062 | -0.039 | 42.855 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 188 | ASN | 0 | 0.006 | -0.016 | 46.339 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 189 | ILE | 0 | -0.042 | -0.017 | 43.892 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 190 | ALA | 0 | -0.031 | -0.004 | 40.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 191 | LYS | 1 | 0.881 | 0.961 | 42.528 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 192 | ALA | 0 | 0.014 | 0.013 | 44.484 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 193 | HIS | 0 | -0.043 | -0.007 | 39.652 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 194 | GLY | 0 | -0.003 | 0.002 | 43.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 195 | GLY | 0 | -0.001 | -0.016 | 39.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 196 | VAL | 0 | -0.010 | 0.015 | 33.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 197 | SER | 0 | 0.035 | -0.004 | 35.972 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 198 | VAL | 0 | -0.031 | -0.011 | 29.957 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 199 | PHE | 0 | 0.002 | 0.017 | 32.666 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 200 | GLY | 0 | -0.014 | -0.021 | 29.976 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 201 | GLY | 0 | 0.005 | -0.008 | 29.725 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 202 | VAL | 0 | -0.034 | -0.029 | 27.760 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 203 | GLY | 0 | 0.011 | -0.006 | 29.310 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 204 | GLU | -1 | -0.796 | -0.892 | 30.692 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 205 | ARG | 1 | 0.912 | 0.928 | 33.565 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 206 | THR | 0 | 0.047 | 0.012 | 33.492 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 207 | ARG | 1 | 0.896 | 0.961 | 35.291 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 208 | GLU | -1 | -0.785 | -0.880 | 37.533 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 209 | GLY | 0 | -0.017 | -0.004 | 35.051 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 210 | ASN | 0 | -0.016 | -0.032 | 36.028 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 211 | ASP | -1 | -0.874 | -0.937 | 37.869 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 212 | LEU | 0 | 0.043 | 0.013 | 36.288 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 213 | TYR | 0 | -0.029 | -0.014 | 34.745 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 214 | MET | 0 | -0.025 | -0.039 | 38.301 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 215 | GLU | -1 | -0.878 | -0.930 | 41.407 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 216 | MET | 0 | -0.074 | -0.036 | 38.331 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 217 | LYS | 1 | 0.912 | 0.962 | 37.861 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 218 | GLU | -1 | -0.892 | -0.934 | 41.770 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 219 | SER | 0 | -0.131 | -0.055 | 43.919 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 220 | GLY | 0 | 0.088 | 0.036 | 43.656 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 221 | VAL | 0 | -0.064 | -0.018 | 39.146 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 222 | ILE | 0 | -0.066 | -0.033 | 36.235 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 223 | ASN | 0 | 0.012 | -0.003 | 34.876 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 224 | GLU | -1 | -0.873 | -0.919 | 39.111 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 225 | GLN | 0 | -0.006 | -0.013 | 41.080 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 226 | ASN | 0 | -0.065 | -0.024 | 35.735 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 227 | ILE | 0 | -0.023 | -0.012 | 38.119 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 228 | ALA | 0 | -0.063 | -0.040 | 35.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 229 | GLU | -1 | -0.910 | -0.948 | 37.612 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 230 | SER | 0 | -0.005 | -0.008 | 36.125 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 231 | LYS | 1 | 0.850 | 0.933 | 37.108 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 232 | VAL | 0 | 0.045 | 0.007 | 34.941 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 233 | ALA | 0 | 0.010 | 0.027 | 29.885 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 234 | LEU | 0 | 0.022 | 0.017 | 30.915 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 235 | VAL | 0 | 0.013 | 0.010 | 25.174 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 236 | TYR | 0 | 0.011 | 0.014 | 27.754 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 237 | GLY | 0 | 0.052 | 0.035 | 26.427 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 238 | GLN | 0 | 0.006 | 0.002 | 27.224 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 239 | MET | 0 | -0.079 | -0.046 | 28.737 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 240 | ASN | 0 | 0.000 | -0.004 | 29.230 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 241 | GLU | -1 | -0.921 | -0.934 | 23.953 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 242 | PRO | 0 | 0.065 | 0.018 | 21.780 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 243 | PRO | 0 | 0.032 | 0.006 | 21.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 244 | GLY | 0 | 0.030 | -0.014 | 19.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 245 | ALA | 0 | 0.012 | 0.010 | 19.321 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 246 | ARG | 1 | 0.889 | 0.968 | 21.902 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 247 | MET | 0 | -0.026 | 0.034 | 19.652 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 248 | ARG | 1 | 0.843 | 0.876 | 16.605 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 249 | VAL | 0 | 0.063 | 0.045 | 21.716 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 250 | GLY | 0 | 0.041 | 0.019 | 24.136 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 251 | LEU | 0 | -0.005 | -0.021 | 20.032 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 252 | THR | 0 | -0.023 | 0.018 | 21.493 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 253 | ALA | 0 | 0.000 | -0.009 | 23.202 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 254 | LEU | 0 | 0.010 | -0.007 | 25.255 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 255 | THR | 0 | 0.023 | 0.001 | 20.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 256 | MET | 0 | -0.025 | -0.022 | 23.895 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 257 | ALA | 0 | 0.012 | 0.015 | 26.238 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 258 | GLU | -1 | -0.858 | -0.897 | 22.593 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 259 | TYR | 0 | -0.014 | 0.012 | 25.788 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 260 | PHE | 0 | -0.008 | -0.022 | 27.876 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 261 | ARG | 1 | 0.762 | 0.880 | 28.250 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 262 | ASP | -1 | -0.755 | -0.866 | 28.957 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 263 | VAL | 0 | -0.059 | -0.022 | 27.022 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 264 | ASN | 0 | -0.104 | -0.064 | 30.359 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 265 | GLU | -1 | -0.924 | -0.945 | 33.440 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 266 | GLN | 0 | -0.034 | -0.014 | 34.236 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 267 | ASP | -1 | -0.889 | -0.940 | 36.066 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 268 | VAL | 0 | -0.051 | -0.017 | 33.101 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 269 | LEU | 0 | -0.033 | -0.007 | 36.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 270 | LEU | 0 | 0.011 | -0.010 | 29.909 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 271 | PHE | 0 | 0.027 | -0.008 | 33.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 272 | ILE | 0 | 0.012 | 0.010 | 29.782 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 273 | ASP | -1 | -0.853 | -0.929 | 33.362 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 274 | ASN | 0 | 0.046 | -0.018 | 33.625 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 275 | ILE | 0 | 0.042 | 0.025 | 28.576 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 276 | PHE | 0 | 0.039 | 0.018 | 30.460 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 277 | ARG | 1 | 0.786 | 0.904 | 30.453 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 278 | PHE | 0 | -0.011 | 0.009 | 23.568 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 279 | VAL | 0 | 0.044 | 0.020 | 26.171 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 280 | GLN | 0 | 0.004 | 0.014 | 27.717 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 281 | ALA | 0 | -0.004 | -0.019 | 25.310 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 282 | GLY | 0 | 0.052 | 0.000 | 23.653 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 283 | SER | 0 | -0.074 | -0.036 | 24.326 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 284 | GLU | -1 | -0.913 | -0.972 | 25.294 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 285 | VAL | 0 | 0.003 | 0.004 | 20.080 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 286 | SER | 0 | 0.019 | -0.020 | 21.528 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 287 | ALA | 0 | 0.043 | 0.027 | 22.699 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 288 | LEU | 0 | -0.011 | -0.001 | 21.587 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 289 | LEU | 0 | -0.094 | -0.055 | 16.894 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 290 | GLY | 0 | -0.031 | -0.001 | 19.554 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 291 | ARG | 1 | 0.903 | 0.983 | 19.080 | 0.425 | 0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 292 | MET | 0 | 0.004 | -0.008 | 23.996 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 293 | PRO | 0 | -0.002 | -0.001 | 27.761 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 294 | SER | 0 | 0.013 | 0.016 | 29.806 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 295 | ALA | 0 | -0.013 | -0.017 | 32.035 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 296 | VAL | 0 | 0.054 | 0.017 | 34.642 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 297 | GLY | 0 | -0.016 | 0.003 | 32.864 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 298 | TYR | 0 | -0.051 | -0.055 | 30.261 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 299 | GLN | 0 | -0.012 | -0.017 | 25.075 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 300 | PRO | 0 | -0.027 | -0.009 | 24.883 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 301 | THR | 0 | -0.052 | -0.035 | 22.148 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 302 | LEU | 0 | 0.028 | 0.025 | 25.380 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 303 | SER | 0 | 0.018 | 0.001 | 28.014 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 304 | THR | 0 | -0.018 | -0.006 | 22.996 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 305 | GLU | -1 | -0.868 | -0.942 | 22.010 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 306 | MET | 0 | -0.021 | -0.004 | 24.514 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 307 | GLY | 0 | 0.036 | 0.029 | 26.994 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 308 | SER | 0 | 0.014 | -0.011 | 23.037 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 309 | LEU | 0 | -0.083 | -0.032 | 21.727 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 310 | GLN | 0 | 0.076 | 0.047 | 25.760 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 311 | GLU | -1 | -0.910 | -0.934 | 28.298 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 312 | ARG | 1 | 0.786 | 0.890 | 20.740 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 313 | ILE | 0 | -0.057 | -0.013 | 27.893 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 314 | THR | 0 | 0.022 | -0.010 | 30.506 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 315 | SER | 0 | 0.028 | 0.049 | 32.939 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 316 | THR | 0 | -0.039 | -0.005 | 31.127 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 317 | LYS | 1 | 0.946 | 0.960 | 34.584 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 318 | GLU | -1 | -0.994 | -0.991 | 30.786 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 319 | GLY | 0 | 0.075 | 0.046 | 35.049 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 320 | SER | 0 | -0.058 | -0.029 | 35.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 321 | ILE | 0 | 0.022 | 0.003 | 31.913 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 322 | THR | 0 | -0.033 | 0.003 | 35.305 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 323 | SER | 0 | 0.003 | -0.003 | 33.952 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 324 | ILE | 0 | 0.005 | 0.022 | 35.991 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 325 | GLN | 0 | 0.019 | -0.024 | 32.300 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 326 | ALA | 0 | 0.035 | 0.041 | 35.910 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 327 | VAL | 0 | -0.037 | -0.010 | 35.157 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 328 | TYR | 0 | -0.036 | -0.019 | 35.888 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 329 | VAL | 0 | 0.006 | 0.008 | 37.098 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 330 | PRO | 0 | -0.061 | -0.042 | 36.268 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 331 | ALA | 0 | -0.011 | 0.002 | 39.346 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 332 | ASP | -1 | -0.856 | -0.904 | 42.888 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 333 | ASP | -1 | -0.846 | -0.896 | 42.157 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 334 | LEU | 0 | -0.005 | -0.011 | 41.560 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 335 | THR | 0 | -0.081 | -0.066 | 41.079 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 336 | ASP | -1 | -0.736 | -0.858 | 37.170 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 337 | PRO | 0 | 0.004 | -0.008 | 34.268 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 338 | ALA | 0 | -0.029 | 0.014 | 32.783 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 339 | PRO | 0 | -0.007 | 0.006 | 33.867 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 340 | ALA | 0 | 0.061 | 0.035 | 36.599 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 341 | THR | 0 | -0.063 | -0.059 | 31.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 342 | THR | 0 | -0.069 | -0.049 | 34.046 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 343 | PHE | 0 | 0.034 | 0.011 | 35.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 344 | ALA | 0 | 0.009 | 0.015 | 35.808 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 345 | HIS | 0 | -0.074 | -0.030 | 31.680 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 346 | LEU | 0 | 0.039 | 0.018 | 35.700 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 347 | ASP | -1 | -0.905 | -0.937 | 38.843 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 348 | ALA | 0 | -0.009 | -0.037 | 41.718 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 349 | THR | 0 | -0.024 | 0.001 | 41.614 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 350 | THR | 0 | -0.031 | -0.031 | 43.595 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 351 | VAL | 0 | -0.007 | 0.020 | 44.129 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 352 | LEU | 0 | -0.005 | -0.011 | 44.614 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 353 | SER | 0 | 0.012 | 0.012 | 46.948 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 354 | ARG | 1 | 0.853 | 0.890 | 45.173 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 355 | GLY | 0 | 0.001 | -0.003 | 50.280 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 356 | LEU | 0 | -0.018 | -0.022 | 52.715 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 357 | ALA | 0 | 0.062 | 0.028 | 50.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 358 | ALA | 0 | -0.086 | -0.030 | 52.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 359 | LYS | 1 | 0.941 | 0.967 | 55.300 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 360 | GLY | 0 | 0.000 | 0.010 | 56.431 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 361 | ILE | 0 | -0.038 | -0.012 | 55.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 362 | TYR | 0 | -0.022 | -0.002 | 50.876 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 363 | PRO | 0 | 0.058 | 0.025 | 49.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 364 | ALA | 0 | 0.048 | 0.030 | 50.099 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 365 | VAL | 0 | -0.039 | -0.024 | 48.808 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 366 | ASP | -1 | -0.825 | -0.911 | 50.236 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 367 | PRO | 0 | -0.036 | -0.019 | 51.539 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 368 | LEU | 0 | -0.064 | -0.032 | 53.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 369 | ASP | -1 | -0.912 | -0.955 | 47.386 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 370 | SER | 0 | 0.002 | -0.024 | 47.224 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 371 | THR | 0 | 0.010 | 0.026 | 46.012 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 372 | SER | 0 | 0.040 | 0.001 | 45.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 373 | THR | 0 | 0.024 | 0.019 | 43.695 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 374 | MET | 0 | -0.100 | -0.005 | 46.798 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 375 | LEU | 0 | -0.029 | 0.023 | 48.877 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 376 | GLN | 0 | -0.026 | -0.034 | 50.341 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 377 | PRO | 0 | 0.058 | 0.029 | 53.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 378 | ARG | 1 | 0.923 | 0.948 | 53.733 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 379 | ILE | 0 | -0.057 | -0.032 | 49.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 380 | VAL | 0 | -0.054 | 0.005 | 52.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 381 | GLY | 0 | 0.091 | 0.041 | 54.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 382 | GLU | -1 | -0.928 | -0.975 | 58.530 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 383 | GLU | -1 | -0.868 | -0.931 | 61.192 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 384 | HIS | 0 | -0.029 | -0.017 | 53.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 385 | TYR | 0 | -0.026 | -0.018 | 55.328 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 386 | GLU | -1 | -0.874 | -0.948 | 58.380 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 387 | ILE | 0 | -0.011 | 0.012 | 60.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 388 | ALA | 0 | 0.039 | 0.031 | 56.321 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 389 | GLN | 0 | -0.021 | -0.025 | 57.682 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 390 | ARG | 1 | 0.917 | 0.959 | 59.482 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 391 | VAL | 0 | -0.046 | -0.024 | 59.016 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 392 | LYS | 1 | 0.906 | 0.951 | 53.642 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 393 | GLU | -1 | -0.907 | -0.950 | 59.216 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 394 | THR | 0 | -0.005 | -0.009 | 62.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 395 | LEU | 0 | -0.028 | -0.010 | 58.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 396 | GLN | 0 | -0.034 | 0.001 | 57.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 397 | ARG | 1 | 0.984 | 0.982 | 60.946 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 398 | TYR | 0 | 0.037 | 0.013 | 62.745 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 399 | LYS | 1 | 0.951 | 0.976 | 55.047 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 400 | GLU | -1 | -0.972 | -0.973 | 61.827 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 401 | LEU | 0 | -0.027 | -0.014 | 63.699 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 402 | GLN | 0 | -0.043 | -0.016 | 60.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 403 | ASP | -1 | -0.913 | -0.955 | 62.363 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 404 | ILE | 0 | -0.019 | 0.007 | 65.509 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 405 | ILE | 0 | 0.068 | 0.017 | 68.338 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 406 | ALA | 0 | -0.126 | -0.050 | 67.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 407 | ILE | 0 | -0.067 | -0.042 | 68.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 408 | LEU | 0 | -0.060 | -0.028 | 71.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 409 | GLY | 0 | -0.009 | 0.021 | 73.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 410 | LEU | 0 | 0.014 | -0.033 | 72.174 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 411 | ASP | -1 | -0.919 | -0.964 | 75.884 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 412 | GLU | -1 | -0.915 | -0.951 | 78.412 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 413 | LEU | 0 | -0.067 | -0.022 | 72.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 414 | SER | 0 | 0.046 | 0.038 | 75.914 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 415 | GLU | -1 | -0.937 | -0.979 | 76.658 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 416 | GLU | -1 | -0.957 | -0.988 | 75.487 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 417 | ASP | -1 | -0.890 | -0.942 | 71.781 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 418 | ARG | 1 | 0.814 | 0.918 | 71.938 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 419 | LEU | 0 | 0.005 | 0.009 | 72.744 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 420 | THR | 0 | -0.044 | -0.045 | 68.200 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 421 | VAL | 0 | 0.038 | 0.021 | 68.074 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 422 | ALA | 0 | -0.002 | 0.008 | 68.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 423 | ARG | 1 | 0.913 | 0.965 | 68.359 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 424 | ALA | 0 | 0.070 | 0.029 | 64.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 425 | ARG | 1 | 0.860 | 0.958 | 63.875 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 426 | LYS | 1 | 0.847 | 0.947 | 65.023 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 427 | ILE | 0 | -0.009 | 0.007 | 60.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 428 | GLU | -1 | -0.923 | -1.002 | 59.859 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 429 | ARG | 1 | 0.787 | 0.885 | 59.838 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 430 | PHE | 0 | 0.017 | 0.025 | 61.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 431 | LEU | 0 | -0.063 | -0.023 | 56.272 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 432 | SER | 0 | -0.034 | -0.003 | 56.380 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 433 | GLN | 0 | -0.016 | -0.032 | 53.814 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 434 | PRO | 0 | 0.030 | 0.023 | 54.604 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 435 | PHE | 0 | -0.052 | -0.029 | 47.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 436 | PHE | 0 | -0.013 | -0.014 | 51.026 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 437 | VAL | 0 | 0.011 | 0.014 | 46.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 438 | ALA | 0 | -0.013 | -0.018 | 49.556 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 439 | GLU | -1 | -0.904 | -0.943 | 51.464 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 440 | VAL | 0 | -0.019 | -0.017 | 50.685 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 441 | PHE | 0 | -0.093 | -0.050 | 48.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 442 | THR | 0 | -0.037 | -0.006 | 54.316 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 443 | GLY | 0 | 0.019 | 0.017 | 57.119 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 444 | SER | 0 | -0.033 | -0.016 | 58.673 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 445 | PRO | 0 | 0.001 | 0.002 | 58.146 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 446 | GLY | 0 | 0.042 | 0.019 | 55.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 447 | LYS | 1 | 0.817 | 0.886 | 56.242 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 448 | TYR | 0 | -0.015 | 0.003 | 50.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 449 | VAL | 0 | 0.010 | 0.010 | 55.218 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 450 | GLY | 0 | 0.030 | 0.022 | 54.771 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 451 | LEU | 0 | 0.043 | 0.023 | 53.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 452 | ALA | 0 | 0.006 | 0.016 | 56.654 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 453 | GLU | -1 | -0.900 | -0.955 | 59.978 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 454 | THR | 0 | -0.015 | -0.023 | 57.036 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 455 | ILE | 0 | -0.040 | -0.039 | 57.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 456 | ARG | 1 | 0.967 | 0.978 | 60.939 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 457 | GLY | 0 | 0.045 | 0.028 | 63.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 458 | PHE | 0 | 0.054 | 0.002 | 59.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 459 | GLN | 0 | -0.050 | -0.007 | 63.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 460 | LEU | 0 | 0.002 | 0.000 | 66.272 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 461 | ILE | 0 | -0.016 | 0.002 | 64.294 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 462 | LEU | 0 | -0.086 | -0.056 | 63.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 463 | SER | 0 | -0.034 | -0.037 | 67.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 464 | GLY | 0 | -0.042 | -0.040 | 71.183 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 465 | GLU | -1 | -0.902 | -0.911 | 72.467 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 466 | LEU | 0 | 0.017 | -0.007 | 69.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 467 | ASP | -1 | -0.822 | -0.931 | 72.659 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 468 | SER | 0 | -0.081 | -0.033 | 74.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 469 | LEU | 0 | 0.016 | 0.021 | 71.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 470 | PRO | 0 | 0.022 | 0.007 | 71.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 471 | GLU | -1 | -0.745 | -0.897 | 67.395 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 472 | GLN | 0 | -0.041 | -0.024 | 64.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 473 | ALA | 0 | 0.004 | 0.010 | 67.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 474 | PHE | 0 | 0.035 | 0.016 | 64.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 475 | TYR | 0 | -0.060 | -0.023 | 59.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 476 | LEU | 0 | -0.040 | -0.023 | 58.018 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 477 | VAL | 0 | 0.018 | 0.032 | 60.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 478 | GLY | 0 | 0.005 | -0.015 | 60.060 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 479 | ASN | 0 | 0.036 | 0.003 | 60.677 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 480 | ILE | 0 | 0.062 | 0.021 | 63.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 481 | ASP | -1 | -0.876 | -0.930 | 66.031 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 482 | GLU | -1 | -0.877 | -0.935 | 63.219 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 483 | ALA | 0 | -0.019 | -0.013 | 65.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 484 | THR | 0 | -0.058 | -0.024 | 67.688 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 485 | ALA | 0 | -0.057 | -0.018 | 69.758 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |