![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 2JMRR
Calculation Name: 5AZS-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5AZS
Chain ID: A
UniProt ID: Q51397
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 | 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 | 430 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5963953.397844 |
---|---|
FMO2-HF: Nuclear repulsion | 5801032.340757 |
FMO2-HF: Total energy | -162921.057087 |
FMO2-MP2: Total energy | -163404.795549 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F027338/ligand_interaction/ligand_F027338.png)
Ligand Interaction
![ligand interaction](./Kdata/F027338/ligand_interaction/ligand_interaction_F027338.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:1:CYS)
Summations of interaction energy for
fragment #1(A:1:CYS)
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. |
-16.766 | -9.173 | 3.112 | -4.321 | -6.386 | -0.025 |
Interaction energy analysis for fragmet #1(A:1:CYS)
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 | 3 | MET | 0 | 0.026 | 0.025 | 3.832 | -0.850 | 1.743 | 0.304 | -1.006 | -1.891 | 0.000 |
4 | A | 4 | ALA | 0 | -0.005 | -0.013 | 5.573 | -0.575 | -0.523 | -0.001 | -0.006 | -0.045 | 0.000 |
5 | A | 5 | PRO | 0 | -0.027 | -0.003 | 8.478 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | THR | 0 | 0.025 | 0.022 | 10.555 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | TYR | 0 | -0.073 | -0.073 | 12.429 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | GLU | -1 | -0.931 | -0.955 | 15.715 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ARG | 1 | 0.735 | 0.820 | 18.862 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | PRO | 0 | 0.017 | 0.011 | 22.220 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ALA | 0 | 0.018 | 0.007 | 24.384 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ALA | 0 | 0.014 | -0.003 | 27.513 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | PRO | 0 | 0.013 | 0.015 | 29.951 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | VAL | 0 | -0.063 | -0.019 | 32.482 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ALA | 0 | 0.021 | 0.008 | 35.489 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ASP | -1 | -0.887 | -0.949 | 36.203 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | SER | 0 | -0.045 | -0.030 | 38.166 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | TRP | 0 | -0.016 | 0.005 | 38.542 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | SER | 0 | -0.016 | -0.003 | 43.875 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 33 | LEU | 0 | 0.016 | -0.005 | 39.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 34 | ASP | -1 | -0.787 | -0.901 | 41.166 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 35 | TRP | 0 | 0.073 | 0.031 | 41.862 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 36 | LYS | 1 | 0.793 | 0.881 | 44.587 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 37 | SER | 0 | -0.038 | -0.023 | 45.915 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 38 | PHE | 0 | -0.022 | 0.002 | 46.336 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 39 | ILE | 0 | 0.011 | -0.011 | 47.940 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 40 | VAL | 0 | 0.016 | 0.000 | 50.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 41 | ASP | -1 | -0.866 | -0.913 | 53.487 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 42 | ALA | 0 | 0.002 | -0.015 | 54.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 43 | GLU | -1 | -0.886 | -0.954 | 54.832 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 44 | LEU | 0 | -0.007 | -0.006 | 51.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 45 | ARG | 1 | 0.857 | 0.928 | 49.419 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 46 | ARG | 1 | 0.931 | 0.971 | 50.177 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 47 | LEU | 0 | -0.035 | -0.027 | 51.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 48 | VAL | 0 | -0.001 | 0.000 | 46.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 49 | ASP | -1 | -0.807 | -0.887 | 46.610 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 50 | MET | 0 | -0.018 | 0.014 | 47.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 51 | ALA | 0 | 0.029 | 0.011 | 47.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 52 | LEU | 0 | -0.102 | -0.053 | 41.608 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 53 | ASP | -1 | -0.911 | -0.926 | 42.893 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 54 | ASN | 0 | -0.013 | -0.022 | 44.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 55 | ASN | 0 | 0.002 | 0.003 | 43.899 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 56 | ARG | 1 | 0.888 | 0.931 | 43.216 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 57 | SER | 0 | 0.038 | 0.023 | 40.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 58 | LEU | 0 | 0.014 | 0.011 | 38.013 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 59 | ARG | 1 | 0.888 | 0.934 | 38.185 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 60 | GLN | 0 | -0.015 | -0.011 | 37.896 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 61 | THR | 0 | 0.043 | 0.031 | 33.936 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 62 | LEU | 0 | -0.038 | -0.023 | 33.553 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 63 | LEU | 0 | -0.009 | -0.008 | 33.458 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 64 | ASP | -1 | -0.879 | -0.936 | 31.338 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 65 | ILE | 0 | -0.043 | -0.023 | 28.776 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 66 | GLU | -1 | -0.829 | -0.896 | 28.136 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 67 | ALA | 0 | -0.025 | -0.001 | 28.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 68 | ALA | 0 | 0.013 | 0.000 | 25.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 69 | ARG | 1 | 0.778 | 0.873 | 23.960 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 70 | ALA | 0 | -0.044 | -0.030 | 23.642 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 71 | GLN | 0 | 0.033 | 0.023 | 22.802 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 72 | TYR | 0 | 0.021 | 0.016 | 16.352 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 73 | ARG | 1 | 0.885 | 0.938 | 19.011 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 74 | ILE | 0 | 0.000 | 0.005 | 20.556 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 75 | GLN | 0 | -0.020 | -0.017 | 14.776 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 76 | ARG | 1 | 0.932 | 0.961 | 15.452 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 77 | ALA | 0 | -0.049 | -0.027 | 15.800 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 78 | ASP | -1 | -0.822 | -0.892 | 14.503 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 79 | ARG | 1 | 0.886 | 0.943 | 8.820 | -0.874 | -0.874 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 80 | VAL | 0 | -0.051 | -0.002 | 12.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 81 | PRO | 0 | 0.024 | 0.027 | 14.481 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 82 | GLY | 0 | 0.022 | 0.005 | 16.973 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 83 | LEU | 0 | -0.039 | -0.033 | 20.732 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 84 | ASN | 0 | -0.005 | -0.012 | 23.927 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 85 | ALA | 0 | -0.005 | -0.003 | 27.043 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 86 | ALA | 0 | -0.010 | 0.004 | 30.262 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 87 | ALA | 0 | 0.016 | -0.001 | 32.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 88 | THR | 0 | -0.018 | -0.007 | 32.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 89 | GLY | 0 | -0.007 | 0.002 | 35.730 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 90 | ASN | 0 | -0.009 | 0.004 | 37.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 91 | ARG | 1 | 0.963 | 0.979 | 39.674 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 92 | GLN | 0 | -0.025 | -0.020 | 39.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 93 | ARG | 1 | 0.932 | 0.972 | 44.542 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 94 | GLN | 0 | 0.027 | 0.026 | 43.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 95 | PRO | 0 | -0.003 | -0.016 | 46.339 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 96 | ALA | 0 | -0.033 | -0.030 | 48.627 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 97 | ASP | -1 | -0.941 | -0.974 | 48.638 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 98 | LEU | 0 | 0.015 | 0.016 | 43.628 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 99 | SER | 0 | -0.055 | -0.051 | 45.243 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 100 | ALA | 0 | 0.048 | 0.018 | 45.308 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 101 | GLY | 0 | 0.014 | 0.018 | 47.201 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 102 | ASN | 0 | -0.041 | -0.021 | 49.913 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 103 | ARG | 1 | 0.891 | 0.926 | 51.806 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 104 | SER | 0 | -0.007 | 0.000 | 50.960 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 105 | GLU | -1 | -0.837 | -0.860 | 47.190 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 106 | VAL | 0 | -0.062 | -0.051 | 48.040 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 107 | ALA | 0 | 0.061 | 0.049 | 43.627 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 108 | SER | 0 | 0.006 | -0.022 | 43.312 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 109 | SER | 0 | -0.018 | 0.000 | 38.559 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 110 | TYR | 0 | -0.026 | -0.002 | 38.940 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 111 | GLN | 0 | -0.006 | -0.006 | 32.554 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 112 | VAL | 0 | 0.015 | 0.013 | 34.800 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 113 | GLY | 0 | 0.043 | 0.020 | 32.410 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 114 | LEU | 0 | -0.009 | -0.006 | 27.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 115 | ALA | 0 | 0.020 | 0.007 | 25.922 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 116 | LEU | 0 | -0.022 | 0.001 | 18.102 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 117 | PRO | 0 | -0.025 | -0.014 | 20.709 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 118 | GLU | -1 | -0.838 | -0.919 | 16.882 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 119 | TYR | 0 | -0.009 | -0.007 | 11.760 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 120 | GLU | -1 | -0.778 | -0.855 | 10.317 | -0.709 | -0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 121 | LEU | 0 | 0.009 | 0.001 | 8.938 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 122 | ASP | -1 | -0.778 | -0.917 | 6.386 | -0.708 | -0.708 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 123 | LEU | 0 | -0.026 | -0.025 | 3.783 | 0.046 | 0.386 | 0.001 | -0.110 | -0.232 | 0.000 |
111 | A | 124 | PHE | 0 | 0.019 | -0.008 | 2.370 | -10.195 | -6.936 | 2.292 | -2.579 | -2.971 | -0.031 |
112 | A | 125 | GLY | 0 | -0.004 | -0.004 | 3.422 | 1.557 | 1.695 | -0.004 | 0.162 | -0.297 | 0.000 |
113 | A | 126 | ARG | 1 | 0.856 | 0.898 | 5.431 | 1.046 | 1.046 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 127 | VAL | 0 | 0.033 | 0.018 | 8.683 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 128 | LYS | 1 | 0.804 | 0.924 | 2.847 | -5.831 | -4.620 | 0.520 | -0.782 | -0.950 | 0.006 |
116 | A | 129 | SER | 0 | -0.009 | -0.011 | 8.916 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 130 | LEU | 0 | 0.027 | 0.007 | 10.322 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 131 | THR | 0 | -0.016 | -0.023 | 12.524 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 132 | ASP | -1 | -0.940 | -0.970 | 10.534 | 0.882 | 0.882 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 133 | ALA | 0 | -0.010 | -0.011 | 13.815 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 134 | ALA | 0 | -0.022 | -0.018 | 16.283 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 135 | LEU | 0 | 0.006 | 0.010 | 16.629 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 136 | GLN | 0 | 0.007 | 0.010 | 16.812 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 137 | GLN | 0 | 0.019 | 0.011 | 19.564 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 138 | TYR | 0 | -0.058 | -0.036 | 21.801 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 139 | LEU | 0 | 0.028 | 0.014 | 20.136 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 140 | ALA | 0 | -0.019 | -0.013 | 23.613 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 141 | SER | 0 | -0.040 | -0.034 | 25.510 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 142 | GLU | -1 | -0.777 | -0.877 | 26.664 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 143 | GLU | -1 | -0.796 | -0.870 | 26.968 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 144 | ALA | 0 | -0.002 | -0.003 | 29.572 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 145 | ALA | 0 | 0.026 | 0.012 | 31.655 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 146 | ARG | 1 | 0.800 | 0.875 | 29.700 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 147 | ALA | 0 | 0.029 | 0.015 | 33.720 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 148 | ALA | 0 | 0.021 | 0.017 | 35.511 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 149 | ARG | 1 | 0.954 | 0.974 | 37.066 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 150 | ILE | 0 | -0.025 | -0.011 | 36.707 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 151 | ALA | 0 | 0.004 | 0.005 | 39.669 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 152 | LEU | 0 | 0.008 | 0.017 | 41.569 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 153 | VAL | 0 | 0.004 | -0.001 | 43.058 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 154 | ALA | 0 | 0.003 | 0.012 | 44.368 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 155 | GLU | -1 | -0.787 | -0.870 | 44.504 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 156 | VAL | 0 | -0.040 | -0.026 | 47.571 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 157 | SER | 0 | -0.025 | -0.036 | 48.400 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 158 | GLN | 0 | -0.031 | -0.013 | 48.070 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 159 | ALA | 0 | 0.027 | 0.025 | 51.801 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 160 | TYR | 0 | -0.004 | -0.008 | 53.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 161 | LEU | 0 | -0.002 | -0.003 | 53.129 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 162 | SER | 0 | -0.007 | -0.010 | 55.411 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 163 | TYR | 0 | -0.070 | -0.040 | 57.750 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 164 | ASP | -1 | -0.817 | -0.901 | 59.332 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 165 | GLY | 0 | 0.007 | -0.008 | 60.432 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 166 | ALA | 0 | -0.032 | -0.013 | 62.010 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 167 | LEU | 0 | 0.005 | -0.003 | 63.457 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 168 | ARG | 1 | 0.883 | 0.955 | 62.485 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 169 | ARG | 1 | 0.854 | 0.916 | 62.564 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 170 | LEU | 0 | 0.001 | 0.003 | 68.075 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 171 | ALA | 0 | -0.024 | -0.009 | 69.820 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 172 | LEU | 0 | 0.013 | 0.016 | 70.929 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 173 | THR | 0 | 0.035 | 0.006 | 71.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 174 | ARG | 1 | 0.920 | 0.959 | 72.786 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 175 | GLN | 0 | 0.003 | 0.007 | 75.334 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 176 | THR | 0 | -0.037 | -0.021 | 75.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 177 | LEU | 0 | -0.023 | -0.009 | 78.116 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 178 | VAL | 0 | 0.034 | 0.019 | 79.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 179 | SER | 0 | -0.051 | -0.027 | 81.204 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 180 | ARG | 1 | 0.867 | 0.929 | 77.655 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 181 | GLU | -1 | -0.811 | -0.893 | 83.160 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 182 | TYR | 0 | -0.015 | -0.003 | 85.716 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 183 | SER | 0 | -0.021 | -0.030 | 86.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 184 | PHE | 0 | 0.005 | 0.006 | 87.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 185 | ALA | 0 | 0.016 | 0.010 | 89.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 186 | LEU | 0 | -0.036 | -0.014 | 91.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 187 | ILE | 0 | -0.026 | -0.014 | 91.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 188 | ASP | -1 | -0.891 | -0.947 | 93.349 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 189 | GLN | 0 | 0.040 | 0.005 | 95.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 190 | ARG | 1 | 0.928 | 0.965 | 95.031 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 191 | ARG | 1 | 0.926 | 0.993 | 97.510 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 192 | ALA | 0 | -0.019 | -0.018 | 99.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 193 | ALA | 0 | -0.039 | -0.001 | 101.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 194 | GLY | 0 | -0.021 | -0.020 | 102.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 195 | ALA | 0 | -0.046 | -0.019 | 101.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 196 | ALA | 0 | -0.025 | -0.006 | 96.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 197 | THR | 0 | 0.002 | -0.016 | 95.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 198 | ALA | 0 | -0.007 | -0.016 | 95.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 199 | LEU | 0 | 0.012 | 0.002 | 90.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 200 | ASP | -1 | -0.753 | -0.858 | 91.179 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 201 | TYR | 0 | -0.035 | -0.018 | 90.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 202 | GLN | 0 | 0.015 | 0.003 | 89.283 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 203 | GLU | -1 | -0.888 | -0.938 | 86.796 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 204 | ALA | 0 | 0.017 | 0.004 | 85.811 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 205 | LEU | 0 | 0.008 | 0.020 | 85.858 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 206 | GLY | 0 | -0.003 | -0.013 | 83.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 207 | LEU | 0 | -0.009 | -0.010 | 80.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 208 | VAL | 0 | -0.001 | 0.010 | 80.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 209 | GLU | -1 | -0.801 | -0.904 | 80.592 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 210 | GLN | 0 | -0.044 | -0.015 | 77.303 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 211 | ALA | 0 | -0.002 | 0.004 | 76.021 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 212 | ARG | 1 | 0.805 | 0.890 | 75.861 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 213 | ALA | 0 | 0.006 | -0.004 | 74.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 214 | GLU | -1 | -0.823 | -0.888 | 69.369 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 215 | GLN | 0 | 0.027 | 0.013 | 70.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 216 | GLU | -1 | -0.878 | -0.929 | 70.934 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 217 | ARG | 1 | 0.777 | 0.872 | 66.762 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 218 | ASN | 0 | -0.004 | -0.022 | 66.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 219 | LEU | 0 | 0.005 | -0.002 | 66.394 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 220 | ARG | 1 | 0.911 | 0.968 | 64.000 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 221 | GLN | 0 | 0.031 | 0.011 | 62.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 222 | LYS | 1 | 0.972 | 0.987 | 61.414 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 223 | GLN | 0 | 0.009 | 0.012 | 61.744 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 224 | GLN | 0 | -0.006 | -0.017 | 59.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 225 | ALA | 0 | 0.038 | 0.032 | 57.316 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 226 | PHE | 0 | -0.028 | -0.015 | 56.955 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 227 | ASN | 0 | -0.013 | -0.022 | 57.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 228 | ALA | 0 | 0.012 | 0.013 | 53.482 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 229 | LEU | 0 | 0.024 | 0.019 | 52.651 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 230 | VAL | 0 | 0.010 | -0.003 | 52.982 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 231 | LEU | 0 | -0.054 | -0.020 | 49.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 232 | LEU | 0 | -0.007 | -0.005 | 47.360 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 233 | LEU | 0 | -0.038 | -0.030 | 48.313 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 234 | GLY | 0 | 0.030 | 0.028 | 49.075 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 235 | SER | 0 | -0.054 | -0.061 | 50.164 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 236 | ASP | -1 | -0.916 | -0.958 | 52.306 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 237 | ASP | -1 | -0.874 | -0.917 | 55.123 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 238 | ALA | 0 | 0.028 | 0.004 | 53.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 239 | ALA | 0 | -0.027 | -0.017 | 55.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 240 | GLN | 0 | -0.070 | -0.045 | 59.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 241 | ALA | 0 | -0.003 | 0.009 | 56.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 242 | ILE | 0 | 0.012 | 0.025 | 56.532 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 243 | PRO | 0 | 0.009 | 0.034 | 59.097 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 244 | ARG | 1 | 0.954 | 0.958 | 62.163 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 245 | SER | 0 | 0.007 | -0.002 | 65.029 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 246 | PRO | 0 | 0.039 | 0.042 | 61.914 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 247 | GLY | 0 | 0.058 | 0.027 | 61.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 248 | GLN | 0 | -0.042 | -0.044 | 61.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 249 | ARG | 1 | 0.946 | 0.979 | 60.686 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 250 | PRO | 0 | 0.024 | -0.002 | 58.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 251 | LYS | 1 | 0.845 | 0.926 | 54.837 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 252 | LEU | 0 | -0.019 | -0.006 | 50.010 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 253 | LEU | 0 | -0.024 | 0.003 | 48.832 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 254 | GLN | 0 | 0.026 | 0.008 | 51.636 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 255 | ASP | -1 | -0.801 | -0.857 | 51.601 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 256 | ILE | 0 | -0.026 | -0.007 | 45.087 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 257 | ALA | 0 | -0.015 | 0.000 | 45.093 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 258 | PRO | 0 | -0.001 | -0.001 | 43.218 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 259 | GLY | 0 | 0.028 | 0.021 | 40.360 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 260 | THR | 0 | -0.044 | -0.046 | 36.627 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 261 | PRO | 0 | 0.026 | -0.001 | 36.212 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 262 | SER | 0 | 0.022 | -0.009 | 32.481 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 263 | GLU | -1 | -0.841 | -0.889 | 32.189 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 264 | LEU | 0 | -0.025 | -0.007 | 33.543 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 265 | ILE | 0 | -0.034 | -0.014 | 28.927 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 266 | GLU | -1 | -0.863 | -0.913 | 27.040 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 267 | ARG | 1 | 0.868 | 0.959 | 29.982 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 268 | ARG | 1 | 0.738 | 0.833 | 32.909 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 269 | PRO | 0 | 0.008 | -0.005 | 31.151 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 270 | ASP | -1 | -0.817 | -0.887 | 30.369 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 271 | ILE | 0 | 0.022 | 0.024 | 28.479 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 272 | LEU | 0 | 0.011 | 0.023 | 26.598 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 273 | ALA | 0 | -0.015 | -0.017 | 25.630 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 274 | ALA | 0 | -0.010 | -0.007 | 25.886 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 275 | GLU | -1 | -0.738 | -0.816 | 21.903 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 276 | HIS | 0 | -0.032 | -0.019 | 21.048 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 277 | ARG | 1 | 0.901 | 0.943 | 20.694 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 278 | LEU | 0 | 0.026 | 0.023 | 19.960 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 279 | ARG | 1 | 0.881 | 0.947 | 16.934 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 280 | ALA | 0 | -0.029 | -0.018 | 16.156 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 281 | ARG | 1 | 0.849 | 0.917 | 16.644 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 282 | ASN | 0 | -0.010 | -0.008 | 12.786 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 283 | ALA | 0 | -0.004 | -0.002 | 12.120 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 284 | ASP | -1 | -0.808 | -0.889 | 12.257 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 285 | ILE | 0 | -0.015 | -0.002 | 11.737 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 286 | GLY | 0 | 0.010 | -0.007 | 9.160 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 287 | ALA | 0 | -0.008 | 0.013 | 8.552 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 288 | ALA | 0 | -0.027 | -0.020 | 10.866 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 289 | ARG | 1 | 0.918 | 0.959 | 8.118 | -0.423 | -0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 290 | ALA | 0 | -0.010 | -0.009 | 6.679 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 291 | ALA | 0 | -0.038 | -0.001 | 7.885 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 292 | PHE | 0 | -0.017 | -0.012 | 10.407 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 293 | PHE | 0 | -0.051 | -0.008 | 5.881 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 294 | PRO | 0 | -0.009 | 0.004 | 8.252 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 295 | ARG | 1 | 0.875 | 0.943 | 9.001 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 296 | ILE | 0 | -0.016 | -0.027 | 9.831 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 297 | SER | 0 | -0.034 | -0.024 | 11.775 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 298 | LEU | 0 | -0.028 | 0.001 | 14.371 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 299 | THR | 0 | 0.041 | 0.025 | 16.880 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 300 | GLY | 0 | -0.005 | -0.008 | 20.504 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 301 | SER | 0 | -0.010 | 0.001 | 23.013 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 302 | PHE | 0 | 0.026 | -0.004 | 26.695 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 303 | GLY | 0 | 0.008 | -0.003 | 28.791 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 304 | THR | 0 | -0.001 | 0.012 | 32.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 305 | SER | 0 | -0.006 | -0.013 | 34.851 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 306 | SER | 0 | -0.012 | -0.013 | 37.354 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 307 | ALA | 0 | 0.026 | 0.007 | 41.008 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 308 | GLU | -1 | -0.873 | -0.928 | 43.637 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 309 | MET | 0 | -0.027 | -0.025 | 44.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 310 | SER | 0 | -0.032 | -0.034 | 45.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 311 | GLY | 0 | 0.029 | 0.039 | 45.291 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 312 | LEU | 0 | -0.031 | -0.022 | 40.613 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 313 | PHE | 0 | -0.073 | -0.021 | 41.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 314 | ASP | -1 | -0.823 | -0.909 | 42.836 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 315 | GLY | 0 | -0.028 | -0.020 | 42.261 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 316 | GLY | 0 | -0.034 | -0.027 | 40.157 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 317 | SER | 0 | 0.036 | 0.023 | 39.628 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 318 | ARG | 1 | 0.898 | 0.951 | 32.354 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 319 | SER | 0 | 0.014 | 0.020 | 33.385 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 320 | TRP | 0 | -0.035 | -0.016 | 25.934 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 321 | SER | 0 | 0.001 | 0.002 | 27.120 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 322 | PHE | 0 | 0.019 | -0.003 | 18.168 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 323 | LEU | 0 | 0.013 | 0.010 | 21.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 324 | PRO | 0 | -0.004 | 0.016 | 16.958 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 325 | THR | 0 | 0.015 | 0.002 | 16.919 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 326 | LEU | 0 | -0.007 | -0.002 | 12.426 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 327 | THR | 0 | -0.030 | -0.025 | 13.989 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 328 | LEU | 0 | 0.051 | 0.019 | 11.934 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 329 | PRO | 0 | -0.009 | 0.003 | 13.585 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 330 | ILE | 0 | -0.008 | 0.008 | 15.667 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 331 | PHE | 0 | 0.011 | -0.002 | 18.311 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 332 | ASP | -1 | -0.764 | -0.873 | 19.267 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 333 | GLY | 0 | 0.003 | 0.006 | 21.673 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 334 | GLY | 0 | -0.014 | -0.002 | 21.415 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 335 | ARG | 1 | 0.880 | 0.920 | 20.084 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 336 | ASN | 0 | 0.032 | 0.009 | 14.716 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 337 | ARG | 1 | 0.984 | 0.979 | 16.512 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 338 | ALA | 0 | -0.001 | 0.017 | 17.911 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 339 | ASN | 0 | 0.004 | -0.022 | 16.856 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 340 | LEU | 0 | 0.005 | 0.004 | 12.974 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 341 | SER | 0 | -0.004 | -0.014 | 16.434 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 342 | LEU | 0 | -0.050 | -0.008 | 19.846 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 343 | ALA | 0 | 0.009 | -0.012 | 16.538 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 344 | GLU | -1 | -0.863 | -0.921 | 17.579 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 345 | ALA | 0 | 0.038 | 0.030 | 18.864 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 346 | ARG | 1 | 0.902 | 0.954 | 20.096 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 347 | LYS | 1 | 0.852 | 0.923 | 17.499 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 348 | ASP | -1 | -0.782 | -0.890 | 20.354 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 349 | SER | 0 | -0.075 | -0.033 | 22.932 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 350 | ALA | 0 | 0.005 | -0.004 | 22.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 351 | VAL | 0 | 0.019 | 0.016 | 21.793 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 352 | ALA | 0 | 0.051 | 0.032 | 24.426 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 353 | ALA | 0 | -0.032 | -0.013 | 27.169 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 354 | TYR | 0 | 0.007 | 0.014 | 25.741 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 355 | GLU | -1 | -0.883 | -0.948 | 27.025 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 356 | GLY | 0 | -0.028 | -0.009 | 29.712 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 357 | THR | 0 | -0.059 | -0.053 | 30.785 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 358 | ILE | 0 | 0.023 | 0.008 | 28.878 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 359 | GLN | 0 | -0.037 | -0.033 | 32.947 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 360 | THR | 0 | -0.045 | -0.019 | 35.676 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 361 | ALA | 0 | 0.020 | 0.011 | 35.573 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 362 | PHE | 0 | -0.007 | -0.010 | 37.207 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 363 | ARG | 1 | 0.868 | 0.909 | 38.868 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 364 | GLU | -1 | -0.842 | -0.907 | 39.804 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 365 | VAL | 0 | 0.017 | 0.011 | 40.467 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 366 | ALA | 0 | -0.005 | 0.009 | 43.023 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 367 | ASP | -1 | -0.823 | -0.894 | 44.964 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 368 | ALA | 0 | 0.015 | 0.012 | 45.818 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 369 | LEU | 0 | -0.019 | -0.006 | 44.868 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 370 | ALA | 0 | 0.006 | 0.008 | 48.600 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 371 | ALA | 0 | 0.008 | 0.019 | 50.612 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 372 | SER | 0 | 0.016 | -0.008 | 50.336 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 373 | ASP | -1 | -0.874 | -0.917 | 52.638 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 374 | THR | 0 | -0.022 | -0.019 | 54.452 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 375 | LEU | 0 | 0.024 | 0.002 | 54.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 376 | ARG | 1 | 0.770 | 0.861 | 53.536 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 377 | ARG | 1 | 0.798 | 0.877 | 56.655 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 378 | GLU | -1 | -0.911 | -0.965 | 60.396 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 379 | GLU | -1 | -0.843 | -0.922 | 60.307 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 380 | LYS | 1 | 0.940 | 0.971 | 63.116 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 381 | ALA | 0 | -0.051 | -0.034 | 65.301 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 382 | LEU | 0 | 0.021 | 0.018 | 63.504 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 383 | ARG | 1 | 0.764 | 0.858 | 67.288 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 384 | ALA | 0 | -0.010 | -0.012 | 69.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 385 | LEU | 0 | 0.020 | 0.032 | 70.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 386 | ALA | 0 | 0.050 | 0.034 | 71.010 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 387 | ASN | 0 | -0.013 | -0.007 | 72.900 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 388 | SER | 0 | -0.037 | -0.030 | 75.041 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 389 | SER | 0 | 0.010 | 0.004 | 75.523 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 390 | ASN | 0 | -0.018 | -0.011 | 75.122 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 391 | GLU | -1 | -0.906 | -0.932 | 78.745 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 392 | ALA | 0 | -0.011 | -0.012 | 80.616 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 393 | LEU | 0 | -0.009 | -0.003 | 80.646 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 394 | LYS | 1 | 0.952 | 0.978 | 82.817 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 395 | LEU | 0 | 0.003 | -0.006 | 84.600 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 396 | ALA | 0 | 0.001 | -0.001 | 85.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 397 | LYS | 1 | 0.818 | 0.903 | 86.774 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 398 | ALA | 0 | 0.011 | 0.010 | 88.500 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 399 | ARG | 1 | 0.849 | 0.919 | 90.435 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 400 | TYR | 0 | -0.034 | -0.031 | 90.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 401 | GLU | -1 | -0.850 | -0.920 | 91.736 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 402 | SER | 0 | -0.091 | -0.054 | 94.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 403 | GLY | 0 | 0.024 | 0.024 | 95.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 404 | VAL | 0 | -0.091 | -0.033 | 95.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 405 | ASP | -1 | -0.758 | -0.845 | 91.347 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 406 | ASN | 0 | 0.008 | -0.013 | 90.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 407 | HIS | 0 | 0.020 | -0.012 | 88.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 408 | LEU | 0 | 0.015 | 0.023 | 85.690 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 409 | ARG | 1 | 0.929 | 0.955 | 86.078 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 410 | TYR | 0 | 0.033 | 0.016 | 85.214 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 411 | LEU | 0 | -0.007 | -0.001 | 84.003 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 412 | ASP | -1 | -0.871 | -0.943 | 81.270 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 413 | ALA | 0 | 0.039 | 0.024 | 80.445 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 414 | GLN | 0 | -0.008 | -0.005 | 80.079 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 415 | ARG | 1 | 0.840 | 0.923 | 77.819 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 416 | SER | 0 | 0.005 | -0.004 | 76.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 417 | SER | 0 | -0.052 | -0.030 | 75.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 418 | PHE | 0 | 0.011 | -0.003 | 73.953 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 419 | LEU | 0 | 0.007 | 0.006 | 70.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 420 | ASN | 0 | 0.010 | -0.015 | 70.506 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 421 | GLU | -1 | -0.733 | -0.832 | 70.013 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 422 | ILE | 0 | -0.010 | -0.005 | 67.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 423 | ALA | 0 | -0.006 | -0.015 | 66.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 424 | PHE | 0 | 0.069 | 0.034 | 65.176 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 425 | ILE | 0 | -0.034 | 0.002 | 64.485 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 426 | ASP | -1 | -0.827 | -0.887 | 61.701 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 427 | GLY | 0 | 0.090 | 0.034 | 60.660 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 428 | SER | 0 | -0.026 | -0.010 | 60.069 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 429 | THR | 0 | -0.106 | -0.069 | 57.669 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 430 | GLN | 0 | -0.027 | -0.038 | 56.307 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 431 | ARG | 1 | 0.878 | 0.942 | 54.965 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 432 | GLN | 0 | -0.035 | -0.030 | 54.295 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 433 | ILE | 0 | -0.017 | -0.004 | 52.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 434 | ALA | 0 | 0.068 | 0.039 | 50.552 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 435 | LEU | 0 | -0.027 | -0.001 | 49.605 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 436 | VAL | 0 | -0.039 | -0.024 | 46.988 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 437 | ASP | -1 | -0.845 | -0.927 | 46.169 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 438 | LEU | 0 | 0.003 | 0.006 | 44.763 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 439 | PHE | 0 | -0.023 | -0.017 | 42.986 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 440 | ARG | 1 | 0.825 | 0.892 | 41.424 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 441 | ALA | 0 | -0.017 | -0.003 | 40.144 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 442 | LEU | 0 | 0.025 | 0.021 | 39.249 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 443 | GLY | 0 | -0.038 | -0.024 | 37.363 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |