![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: GNJZ1
Calculation Name: 3HXL-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3HXL
Chain ID: A
UniProt ID: Q24QE6
Base Structure: X-ray
Registration Date: 2023-06-19
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 | OptHSide |
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 | 425 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -6637885.251394 |
---|---|
FMO2-HF: Nuclear repulsion | 6478960.038522 |
FMO2-HF: Total energy | -158925.212872 |
FMO2-MP2: Total energy | -159396.86836 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F021027/ligand_interaction/ligand_F021027.png)
Ligand Interaction
![ligand interaction](./Kdata/F021027/ligand_interaction/ligand_interaction_F021027.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:15:GLY)
Summations of interaction energy for
fragment #1(A:15:GLY)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
0.348 | 2.149 | -0.016 | -0.946 | -0.84 | 0.003 |
Interaction energy analysis for fragmet #1(A:15:GLY)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 17 | TYR | 0 | -0.005 | 0.006 | 3.799 | 0.510 | 2.311 | -0.016 | -0.946 | -0.840 | 0.003 |
4 | A | 18 | ILE | 0 | 0.011 | 0.003 | 6.449 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 19 | ASN | 0 | -0.058 | -0.020 | 9.911 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 20 | PHE | 0 | 0.037 | 0.007 | 13.250 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 21 | LYS | 1 | 0.964 | 0.974 | 16.809 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 22 | SER | 0 | -0.002 | 0.003 | 20.156 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 23 | GLU | -1 | -0.925 | -0.957 | 23.766 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 24 | PRO | 0 | -0.034 | -0.010 | 25.776 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 25 | GLN | 0 | 0.044 | 0.010 | 29.382 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 26 | ALA | 0 | -0.007 | -0.005 | 32.358 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 27 | ALA | 0 | 0.045 | 0.028 | 36.087 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 28 | GLY | 0 | -0.002 | 0.015 | 38.627 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 29 | THR | 0 | -0.034 | -0.032 | 40.755 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 30 | LEU | 0 | 0.019 | 0.004 | 43.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 31 | GLY | 0 | 0.002 | -0.004 | 47.173 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 32 | GLU | -1 | -0.993 | -0.981 | 48.122 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 33 | ARG | 1 | 0.818 | 0.888 | 50.688 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 34 | GLY | 0 | 0.006 | 0.005 | 54.084 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 35 | ILE | 0 | 0.027 | 0.017 | 52.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 36 | VAL | 0 | 0.016 | 0.007 | 57.492 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 37 | SER | 0 | -0.011 | 0.006 | 60.967 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 38 | MET | 0 | -0.021 | -0.013 | 62.746 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 39 | PRO | 0 | -0.033 | 0.013 | 66.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 40 | LEU | 0 | 0.017 | -0.011 | 68.556 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 41 | ILE | 0 | -0.015 | 0.003 | 71.240 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 42 | LEU | 0 | 0.018 | 0.008 | 69.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 43 | SER | 0 | 0.007 | -0.024 | 73.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 44 | TRP | 0 | 0.026 | -0.001 | 70.405 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 45 | GLY | 0 | 0.043 | 0.034 | 68.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 46 | GLU | -1 | -0.870 | -0.917 | 63.115 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 47 | PRO | 0 | -0.032 | -0.014 | 66.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 48 | GLY | 0 | -0.017 | -0.011 | 66.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 49 | LYS | 1 | 0.829 | 0.894 | 60.545 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 50 | MET | 0 | -0.046 | 0.003 | 59.354 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 51 | ILE | 0 | 0.000 | 0.005 | 59.936 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 52 | THR | 0 | 0.007 | 0.013 | 55.412 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 53 | ILE | 0 | -0.065 | -0.030 | 58.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 54 | GLU | -1 | -0.786 | -0.863 | 54.662 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 55 | ALA | 0 | 0.010 | -0.004 | 57.918 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 56 | GLY | 0 | -0.049 | -0.028 | 58.718 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 57 | ASP | -1 | -0.847 | -0.928 | 58.029 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 58 | ASP | -1 | -0.869 | -0.933 | 60.576 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 59 | VAL | 0 | -0.037 | -0.032 | 62.852 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 60 | PHE | 0 | -0.007 | 0.008 | 65.195 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 61 | PRO | 0 | -0.020 | -0.013 | 63.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 62 | LYS | 1 | 0.819 | 0.914 | 58.790 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 63 | LEU | 0 | -0.011 | -0.032 | 65.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 64 | GLY | 0 | -0.009 | 0.019 | 68.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 65 | TYR | 0 | 0.010 | -0.014 | 70.287 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 66 | SER | 0 | 0.044 | 0.014 | 69.850 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 67 | ILE | 0 | 0.008 | -0.003 | 66.801 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 68 | MET | 0 | -0.034 | -0.027 | 69.534 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 69 | ASP | -1 | -0.808 | -0.877 | 72.861 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 70 | ALA | 0 | 0.005 | -0.013 | 74.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 71 | GLN | 0 | 0.003 | -0.002 | 75.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 72 | LEU | 0 | -0.023 | -0.005 | 69.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 73 | ARG | 1 | 0.853 | 0.934 | 71.056 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 74 | LEU | 0 | 0.012 | -0.009 | 71.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 75 | ILE | 0 | 0.028 | 0.015 | 65.887 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 76 | ASN | 0 | 0.003 | 0.001 | 66.844 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 77 | GLU | -1 | -0.770 | -0.869 | 67.693 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 78 | ALA | 0 | -0.002 | -0.001 | 65.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 79 | LEU | 0 | -0.018 | -0.023 | 61.270 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 80 | LYS | 1 | 0.736 | 0.879 | 63.498 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 81 | ARG | 1 | 0.782 | 0.863 | 62.717 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 82 | ALA | 0 | -0.022 | 0.014 | 60.155 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 83 | LYS | 1 | 0.843 | 0.911 | 55.490 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 84 | THR | 0 | 0.028 | -0.003 | 55.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 85 | LEU | 0 | -0.033 | -0.008 | 57.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 86 | LEU | 0 | -0.032 | -0.011 | 56.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 87 | LEU | 0 | 0.031 | 0.009 | 60.714 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 88 | TYR | 0 | 0.052 | 0.023 | 63.674 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 89 | ARG | 1 | 0.783 | 0.903 | 65.842 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 90 | LEU | 0 | -0.017 | -0.020 | 69.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 91 | ASN | 0 | -0.028 | -0.019 | 71.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 92 | ALA | 0 | 0.042 | 0.005 | 72.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 93 | GLY | 0 | -0.011 | 0.003 | 73.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 94 | THR | 0 | -0.033 | -0.018 | 76.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 95 | LYS | 1 | 0.831 | 0.900 | 72.082 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 96 | ALA | 0 | 0.023 | 0.039 | 77.953 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 97 | ALA | 0 | 0.001 | -0.017 | 79.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 98 | VAL | 0 | 0.021 | 0.024 | 81.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 99 | THR | 0 | -0.026 | -0.022 | 82.679 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 100 | VAL | 0 | -0.011 | -0.002 | 84.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 101 | GLY | 0 | 0.010 | 0.009 | 85.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 102 | ASN | 0 | -0.069 | -0.049 | 83.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 103 | LEU | 0 | 0.003 | 0.013 | 78.204 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 104 | THR | 0 | 0.011 | 0.016 | 79.828 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 105 | VAL | 0 | 0.017 | 0.017 | 77.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 106 | THR | 0 | -0.014 | -0.014 | 76.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 107 | ALA | 0 | 0.050 | 0.036 | 75.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 108 | LYS | 1 | 0.911 | 0.968 | 65.236 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 109 | TRP | 0 | -0.006 | -0.005 | 65.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 110 | GLY | 0 | 0.025 | 0.013 | 72.399 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 111 | GLY | 0 | 0.042 | 0.001 | 74.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 112 | ALA | 0 | -0.056 | -0.039 | 77.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 113 | ARG | 1 | 0.773 | 0.875 | 74.683 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 114 | GLY | 0 | 0.016 | -0.004 | 77.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 115 | ASN | 0 | -0.078 | -0.054 | 78.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 116 | ASP | -1 | -0.834 | -0.884 | 78.980 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 117 | ILE | 0 | -0.028 | -0.006 | 75.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 118 | THR | 0 | -0.051 | -0.034 | 79.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 119 | LEU | 0 | -0.015 | 0.012 | 79.643 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 120 | VAL | 0 | 0.014 | 0.004 | 81.021 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 121 | ILE | 0 | -0.031 | -0.002 | 81.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 122 | GLN | 0 | -0.021 | -0.022 | 82.834 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 123 | GLU | -1 | -0.937 | -0.960 | 83.098 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 124 | ASN | 0 | -0.075 | -0.062 | 79.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 125 | ILE | 0 | -0.014 | -0.018 | 82.541 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 126 | ASP | -1 | -0.979 | -0.980 | 80.222 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 127 | ASP | -1 | -0.841 | -0.904 | 79.790 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 128 | GLU | -1 | -0.856 | -0.924 | 82.380 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 129 | THR | 0 | -0.174 | -0.107 | 81.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 130 | LYS | 1 | 0.814 | 0.907 | 76.231 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 131 | PHE | 0 | 0.011 | 0.005 | 79.935 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 132 | ASP | -1 | -0.779 | -0.852 | 78.527 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 133 | VAL | 0 | -0.034 | -0.028 | 77.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 134 | SER | 0 | 0.003 | -0.028 | 76.641 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 135 | THR | 0 | -0.060 | -0.027 | 74.887 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 136 | LEU | 0 | -0.024 | -0.020 | 76.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 137 | VAL | 0 | 0.007 | 0.000 | 74.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 138 | ASP | -1 | -0.808 | -0.883 | 77.953 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 139 | GLY | 0 | -0.054 | -0.026 | 80.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 140 | ALA | 0 | -0.009 | 0.002 | 76.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 141 | GLU | -1 | -0.841 | -0.905 | 75.766 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 142 | LEU | 0 | -0.043 | -0.023 | 71.997 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 143 | ASP | -1 | -0.828 | -0.905 | 71.198 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 144 | LYS | 1 | 0.869 | 0.933 | 72.599 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 145 | GLN | 0 | -0.061 | -0.032 | 71.518 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 146 | THR | 0 | -0.027 | -0.025 | 73.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 147 | VAL | 0 | -0.042 | -0.012 | 73.830 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 148 | SER | 0 | 0.027 | 0.010 | 76.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 149 | ASP | -1 | -0.897 | -0.959 | 76.869 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 150 | ILE | 0 | 0.018 | -0.008 | 77.040 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 151 | ALA | 0 | -0.045 | -0.011 | 74.142 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 152 | GLY | 0 | -0.048 | -0.014 | 72.596 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 153 | LEU | 0 | -0.030 | -0.003 | 72.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 154 | ALA | 0 | -0.001 | 0.001 | 68.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 155 | ALA | 0 | -0.049 | -0.024 | 68.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 156 | ASN | 0 | 0.048 | 0.017 | 68.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 157 | ASP | -1 | -0.915 | -0.966 | 65.486 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 158 | TRP | 0 | -0.040 | -0.017 | 68.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 159 | VAL | 0 | -0.015 | -0.017 | 71.978 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 160 | ILE | 0 | -0.036 | -0.019 | 69.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 161 | PHE | 0 | 0.045 | 0.025 | 72.942 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 162 | SER | 0 | -0.028 | -0.019 | 74.418 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 163 | GLY | 0 | 0.050 | 0.027 | 76.899 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 164 | THR | 0 | -0.043 | -0.036 | 77.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 165 | GLY | 0 | 0.023 | 0.018 | 80.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 166 | ALA | 0 | 0.027 | 0.006 | 81.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 167 | LEU | 0 | 0.029 | 0.028 | 79.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 168 | THR | 0 | -0.068 | -0.040 | 83.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 169 | GLU | -1 | -0.786 | -0.878 | 85.659 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 170 | THR | 0 | -0.069 | -0.056 | 85.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 171 | ALA | 0 | 0.056 | 0.036 | 86.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 172 | GLY | 0 | 0.009 | -0.004 | 85.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 173 | ALA | 0 | -0.067 | -0.019 | 85.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 174 | PRO | 0 | 0.033 | 0.006 | 83.926 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 175 | LEU | 0 | -0.050 | -0.005 | 78.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 176 | ILE | 0 | -0.008 | -0.014 | 82.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 177 | ASN | 0 | -0.033 | -0.026 | 83.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 178 | GLY | 0 | 0.048 | 0.037 | 81.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 179 | SER | 0 | -0.036 | -0.028 | 80.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 180 | ASP | -1 | -0.724 | -0.826 | 78.120 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 181 | GLY | 0 | -0.029 | -0.008 | 78.427 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 182 | ALA | 0 | -0.002 | -0.003 | 80.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 183 | VAL | 0 | 0.012 | 0.011 | 74.746 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 184 | THR | 0 | 0.024 | 0.012 | 75.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 185 | ASN | 0 | 0.034 | -0.019 | 75.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 186 | GLN | 0 | -0.035 | -0.021 | 70.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 187 | ALA | 0 | 0.022 | 0.016 | 71.481 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 188 | TYR | 0 | -0.001 | -0.020 | 69.911 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 189 | ILE | 0 | -0.032 | -0.007 | 68.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 190 | ASP | -1 | -0.842 | -0.925 | 66.830 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 191 | TYR | 0 | -0.013 | -0.030 | 63.872 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 192 | LEU | 0 | -0.029 | -0.013 | 63.979 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 193 | ALA | 0 | 0.019 | 0.016 | 62.669 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 194 | ALA | 0 | -0.014 | -0.007 | 60.635 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 195 | VAL | 0 | -0.001 | -0.015 | 59.292 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 196 | GLU | -1 | -0.813 | -0.857 | 58.422 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 197 | ILE | 0 | -0.047 | -0.019 | 54.367 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 198 | PHE | 0 | -0.023 | -0.009 | 54.118 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 199 | ASP | -1 | -0.917 | -0.934 | 50.505 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 200 | PHE | 0 | -0.002 | -0.030 | 53.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 201 | ASN | 0 | -0.024 | -0.005 | 54.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 202 | THR | 0 | -0.034 | -0.038 | 58.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 203 | ILE | 0 | 0.027 | 0.024 | 61.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 204 | ALA | 0 | 0.018 | 0.015 | 64.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 205 | LEU | 0 | -0.002 | -0.009 | 68.085 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 206 | PRO | 0 | -0.035 | -0.002 | 70.833 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 207 | SER | 0 | -0.009 | -0.022 | 73.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 208 | THR | 0 | 0.039 | 0.012 | 76.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 209 | ASP | -1 | -0.865 | -0.918 | 77.636 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 210 | ASP | -1 | -0.792 | -0.919 | 77.682 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 211 | ALA | 0 | -0.034 | -0.007 | 77.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 212 | LEU | 0 | -0.028 | -0.015 | 73.500 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 213 | LYS | 1 | 0.808 | 0.936 | 73.200 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 214 | ALA | 0 | 0.000 | 0.018 | 73.057 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 215 | THR | 0 | -0.024 | -0.019 | 70.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 216 | PHE | 0 | 0.044 | 0.003 | 68.260 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 217 | THR | 0 | -0.026 | -0.012 | 68.153 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 218 | ALA | 0 | -0.031 | -0.019 | 68.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 219 | PHE | 0 | -0.005 | -0.003 | 61.995 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 220 | ALA | 0 | 0.019 | 0.003 | 64.016 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 221 | LYS | 1 | 0.881 | 0.945 | 63.377 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 222 | ARG | 1 | 0.799 | 0.872 | 60.858 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 223 | LEU | 0 | 0.013 | 0.005 | 59.279 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 224 | ARG | 1 | 0.724 | 0.837 | 58.781 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 225 | ASP | -1 | -0.872 | -0.923 | 58.956 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 226 | ASP | -1 | -0.907 | -0.937 | 60.115 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 227 | GLU | -1 | -0.917 | -0.939 | 56.658 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 228 | GLY | 0 | -0.067 | -0.011 | 54.769 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 229 | LYS | 1 | 0.827 | 0.899 | 54.164 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 230 | LYS | 1 | 0.789 | 0.887 | 55.620 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 231 | ILE | 0 | 0.013 | 0.026 | 57.151 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 232 | GLN | 0 | -0.037 | -0.027 | 59.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 233 | VAL | 0 | -0.007 | 0.008 | 63.420 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 234 | VAL | 0 | -0.015 | -0.006 | 66.492 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 235 | LEU | 0 | -0.004 | -0.010 | 69.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 236 | GLU | -1 | -0.781 | -0.885 | 72.656 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 237 | ASN | 0 | -0.107 | -0.086 | 76.143 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 238 | TYR | 0 | 0.041 | 0.003 | 74.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 239 | PRO | 0 | 0.062 | 0.024 | 75.562 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 240 | ALA | 0 | -0.031 | -0.014 | 76.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 241 | ALA | 0 | -0.018 | -0.004 | 72.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 242 | ASP | -1 | -0.759 | -0.844 | 72.840 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 243 | TYR | 0 | -0.069 | -0.074 | 63.845 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 244 | GLU | -1 | -0.747 | -0.858 | 64.097 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 245 | GLY | 0 | -0.033 | -0.020 | 64.556 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 246 | VAL | 0 | -0.026 | -0.016 | 65.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 247 | ILE | 0 | 0.014 | 0.015 | 65.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 248 | SER | 0 | 0.028 | 0.025 | 69.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 249 | VAL | 0 | 0.001 | -0.001 | 72.472 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 250 | LYS | 1 | 0.811 | 0.895 | 74.927 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 251 | ASN | 0 | -0.040 | -0.030 | 78.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 252 | GLY | 0 | 0.042 | 0.015 | 77.697 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 253 | VAL | 0 | -0.049 | -0.017 | 75.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 254 | VAL | 0 | -0.017 | 0.001 | 78.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 255 | LEU | 0 | 0.003 | -0.002 | 75.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 256 | ALA | 0 | 0.020 | 0.005 | 77.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 257 | ASP | -1 | -0.849 | -0.900 | 78.135 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 258 | GLY | 0 | -0.018 | -0.010 | 80.247 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 259 | THR | 0 | -0.061 | -0.048 | 78.559 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 260 | ILE | 0 | -0.027 | -0.005 | 80.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 261 | LEU | 0 | -0.040 | -0.004 | 75.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 262 | THR | 0 | 0.016 | -0.026 | 79.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 263 | ALA | 0 | 0.042 | 0.020 | 77.595 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 264 | ALA | 0 | 0.047 | 0.014 | 75.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 265 | GLN | 0 | 0.048 | 0.033 | 74.651 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 266 | ALA | 0 | 0.023 | 0.020 | 73.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 267 | THR | 0 | -0.037 | -0.025 | 71.002 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 268 | ALA | 0 | 0.035 | 0.020 | 68.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 269 | TRP | 0 | -0.008 | -0.005 | 67.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 270 | VAL | 0 | 0.015 | 0.012 | 67.248 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 271 | ALA | 0 | 0.018 | 0.023 | 65.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 272 | GLY | 0 | 0.060 | 0.039 | 63.278 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 273 | ALA | 0 | -0.004 | -0.020 | 62.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 274 | THR | 0 | -0.041 | -0.033 | 62.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 275 | ALA | 0 | -0.017 | 0.003 | 59.377 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 276 | GLY | 0 | -0.012 | -0.009 | 58.198 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 277 | ALA | 0 | -0.046 | 0.004 | 58.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 278 | ARG | 1 | 0.897 | 0.915 | 53.976 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 279 | VAL | 0 | 0.012 | -0.010 | 52.848 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 280 | ASN | 0 | 0.032 | 0.011 | 55.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 281 | GLU | -1 | -0.810 | -0.864 | 57.307 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 282 | SER | 0 | -0.020 | -0.007 | 60.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 283 | LEU | 0 | 0.004 | -0.009 | 63.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 284 | THR | 0 | -0.043 | -0.031 | 66.536 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 285 | TYR | 0 | -0.048 | -0.022 | 68.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 286 | GLN | 0 | -0.006 | 0.027 | 63.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 287 | GLY | 0 | 0.013 | 0.000 | 69.453 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 288 | TYR | 0 | -0.051 | -0.054 | 70.175 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 289 | ASP | -1 | -0.752 | -0.858 | 67.601 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 290 | GLU | -1 | -0.802 | -0.892 | 70.776 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 291 | ALA | 0 | -0.019 | -0.005 | 73.795 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 292 | VAL | 0 | -0.009 | -0.017 | 76.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 293 | ASP | -1 | -0.800 | -0.864 | 79.321 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 294 | VAL | 0 | -0.044 | -0.022 | 78.710 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 295 | ALA | 0 | -0.040 | 0.016 | 81.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 296 | PRO | 0 | 0.012 | -0.014 | 82.300 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 297 | ARG | 1 | 0.875 | 0.897 | 83.364 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 298 | TYR | 0 | 0.032 | 0.013 | 81.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 299 | THR | 0 | 0.010 | -0.006 | 85.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 300 | ASN | 0 | 0.077 | 0.021 | 84.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 301 | ALA | 0 | 0.000 | -0.002 | 84.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 302 | GLN | 0 | 0.012 | 0.003 | 85.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 303 | ILE | 0 | 0.041 | 0.037 | 79.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 304 | ILE | 0 | 0.014 | 0.007 | 80.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 305 | ALA | 0 | -0.024 | -0.013 | 81.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 306 | ALA | 0 | 0.027 | 0.015 | 80.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 307 | LEU | 0 | -0.017 | -0.004 | 75.312 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 308 | GLN | 0 | -0.074 | -0.026 | 76.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 309 | ALA | 0 | -0.030 | -0.013 | 78.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 310 | GLY | 0 | 0.018 | 0.010 | 74.671 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 311 | GLU | -1 | -0.848 | -0.918 | 74.355 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 312 | PHE | 0 | -0.008 | 0.008 | 68.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 313 | LEU | 0 | -0.016 | -0.017 | 73.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 314 | PHE | 0 | 0.011 | -0.003 | 72.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 315 | THR | 0 | -0.019 | -0.047 | 76.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 316 | ALA | 0 | -0.023 | -0.003 | 78.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 317 | SER | 0 | -0.017 | -0.023 | 78.179 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 318 | ASP | -1 | -0.958 | -0.975 | 78.212 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 319 | ASN | 0 | -0.049 | -0.026 | 79.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 320 | GLN | 0 | 0.012 | 0.029 | 74.031 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 321 | ALA | 0 | 0.012 | 0.015 | 75.978 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 322 | LEU | 0 | 0.016 | 0.001 | 73.368 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 323 | VAL | 0 | -0.019 | 0.010 | 69.974 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 324 | GLU | -1 | -0.820 | -0.891 | 72.976 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 325 | GLN | 0 | 0.017 | -0.025 | 71.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 326 | ASP | -1 | -0.755 | -0.848 | 65.438 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 327 | ILE | 0 | -0.040 | -0.025 | 67.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 328 | ASN | 0 | -0.022 | -0.022 | 66.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 329 | THR | 0 | -0.019 | -0.022 | 69.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 330 | LEU | 0 | -0.093 | -0.013 | 67.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 331 | THR | 0 | -0.017 | -0.026 | 71.269 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 332 | SER | 0 | -0.078 | -0.065 | 73.805 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 333 | PHE | 0 | -0.062 | -0.025 | 70.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 334 | THR | 0 | -0.019 | -0.018 | 69.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 335 | ALA | 0 | -0.030 | -0.023 | 68.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 336 | ASP | -1 | -0.930 | -0.964 | 64.741 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 337 | LYS | 1 | 0.823 | 0.903 | 64.587 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 338 | GLY | 0 | 0.092 | 0.050 | 66.502 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 339 | LYS | 1 | 0.993 | 0.981 | 67.988 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 340 | GLN | 0 | -0.051 | -0.041 | 63.750 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 341 | PHE | 0 | 0.014 | -0.001 | 61.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 342 | ALA | 0 | 0.059 | 0.046 | 65.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 343 | LYS | 1 | 0.840 | 0.921 | 65.183 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 344 | ASN | 0 | 0.057 | 0.001 | 64.131 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 345 | ARG | 1 | 0.838 | 0.919 | 59.664 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 346 | VAL | 0 | -0.021 | -0.006 | 59.821 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 347 | ILE | 0 | 0.001 | 0.005 | 59.478 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 348 | ARG | 1 | 0.775 | 0.892 | 57.625 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 349 | VAL | 0 | 0.008 | 0.003 | 54.196 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 350 | LEU | 0 | -0.024 | -0.011 | 54.451 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 351 | ASP | -1 | -0.746 | -0.859 | 54.949 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 352 | GLY | 0 | -0.006 | 0.001 | 52.567 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 353 | ILE | 0 | 0.010 | 0.007 | 50.460 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 354 | ASN | 0 | -0.054 | -0.030 | 50.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 355 | ASN | 0 | 0.026 | 0.002 | 50.375 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 356 | ASP | -1 | -0.733 | -0.818 | 46.698 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 357 | PHE | 0 | -0.014 | -0.006 | 45.997 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 358 | VAL | 0 | 0.031 | 0.028 | 45.548 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 359 | ARG | 1 | 0.809 | 0.908 | 43.311 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 360 | ILE | 0 | -0.021 | -0.028 | 40.565 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 361 | PHE | 0 | 0.026 | -0.016 | 40.761 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 362 | SER | 0 | 0.021 | -0.008 | 41.169 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 363 | LYS | 1 | 0.901 | 0.959 | 38.802 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 364 | PHE | 0 | -0.031 | -0.011 | 35.480 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 365 | TYR | 0 | -0.005 | 0.007 | 36.155 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 366 | ILE | 0 | -0.005 | 0.010 | 38.276 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 367 | GLY | 0 | 0.023 | 0.030 | 35.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 368 | LYS | 1 | 0.834 | 0.887 | 30.961 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 369 | VAL | 0 | -0.031 | 0.004 | 34.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 370 | SER | 0 | 0.052 | 0.019 | 35.401 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 371 | ASN | 0 | -0.017 | -0.029 | 37.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 372 | ASN | 0 | 0.047 | 0.020 | 34.530 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 373 | ALA | 0 | -0.018 | -0.006 | 37.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 374 | ASP | -1 | -0.869 | -0.939 | 33.492 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 375 | GLY | 0 | 0.015 | 0.013 | 35.615 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 376 | ARG | 1 | 0.879 | 0.913 | 36.831 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 377 | ASN | 0 | -0.006 | 0.000 | 37.072 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 378 | LEU | 0 | 0.002 | 0.007 | 33.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 379 | LEU | 0 | 0.045 | 0.022 | 36.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 380 | LYS | 1 | 0.922 | 0.955 | 40.024 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 381 | SER | 0 | -0.023 | -0.013 | 37.788 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 382 | GLU | -1 | -0.874 | -0.938 | 37.434 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 383 | CYS | 0 | -0.065 | -0.022 | 40.127 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 384 | ILE | 0 | -0.035 | 0.005 | 42.541 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 385 | ASN | 0 | -0.014 | -0.012 | 38.202 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 386 | TYR | 0 | -0.048 | -0.034 | 42.496 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 387 | MET | 0 | -0.022 | -0.022 | 44.805 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 388 | ASN | 0 | -0.007 | -0.017 | 43.477 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 389 | THR | 0 | 0.026 | 0.017 | 44.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 390 | LEU | 0 | -0.001 | -0.006 | 46.717 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 391 | GLN | 0 | -0.037 | -0.013 | 49.860 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 392 | ASP | -1 | -0.897 | -0.938 | 46.333 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 393 | ILE | 0 | -0.102 | -0.034 | 49.377 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 394 | ASP | -1 | -0.917 | -0.952 | 51.963 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 395 | ALA | 0 | -0.019 | -0.023 | 53.360 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 396 | ILE | 0 | -0.097 | -0.053 | 51.306 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 397 | LYS | 1 | 0.850 | 0.926 | 54.850 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 398 | ASN | 0 | -0.072 | -0.047 | 55.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 399 | PHE | 0 | 0.006 | 0.010 | 47.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 400 | ASP | -1 | -0.757 | -0.881 | 49.315 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 401 | GLY | 0 | 0.052 | 0.011 | 46.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 402 | GLN | 0 | -0.131 | -0.074 | 45.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 403 | THR | 0 | -0.080 | -0.063 | 47.395 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 404 | ASP | -1 | -0.858 | -0.907 | 50.208 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 405 | LEU | 0 | 0.041 | 0.023 | 45.357 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 406 | THR | 0 | -0.089 | -0.029 | 46.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 407 | VAL | 0 | 0.084 | 0.028 | 43.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 408 | GLN | 0 | -0.011 | 0.003 | 45.081 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 409 | SER | 0 | 0.058 | 0.020 | 44.791 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 410 | GLY | 0 | -0.063 | -0.030 | 46.352 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 411 | ASN | 0 | -0.058 | -0.042 | 48.756 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 412 | ASP | -1 | -0.835 | -0.909 | 48.784 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 413 | VAL | 0 | 0.027 | 0.016 | 43.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 414 | ASP | -1 | -0.861 | -0.911 | 42.947 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 415 | ALA | 0 | 0.012 | 0.018 | 44.393 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 416 | VAL | 0 | -0.030 | -0.015 | 42.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 417 | TYR | 0 | -0.012 | -0.014 | 45.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 418 | ILE | 0 | 0.014 | 0.004 | 45.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 419 | GLU | -1 | -0.848 | -0.885 | 48.592 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 420 | ALA | 0 | 0.017 | -0.003 | 50.077 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 421 | TYR | 0 | -0.027 | -0.012 | 51.968 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 422 | ALA | 0 | 0.058 | 0.030 | 53.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 423 | TRP | 0 | -0.005 | -0.017 | 55.117 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 424 | PRO | 0 | 0.063 | 0.039 | 57.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 425 | VAL | 0 | 0.035 | 0.023 | 57.574 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 426 | ASP | -1 | -0.845 | -0.921 | 60.172 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 427 | SER | 0 | 0.035 | 0.015 | 62.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 428 | ILE | 0 | -0.030 | -0.004 | 62.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 429 | GLU | -1 | -0.910 | -0.928 | 63.932 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 430 | LYS | 1 | 0.854 | 0.938 | 56.029 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 431 | ILE | 0 | 0.029 | 0.009 | 58.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 432 | TYR | 0 | -0.060 | -0.047 | 55.605 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 433 | VAL | 0 | 0.014 | 0.011 | 52.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 434 | ARG | 1 | 0.908 | 0.956 | 53.110 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 435 | VAL | 0 | 0.003 | -0.003 | 48.250 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 436 | ARG | 1 | 0.952 | 0.982 | 49.961 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 437 | ILE | 0 | 0.006 | 0.004 | 43.924 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 438 | LYS | 1 | 0.827 | 0.904 | 46.558 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 439 | LEU | 0 | -0.033 | -0.002 | 40.188 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |