![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: YZ9Q2
Calculation Name: 4ZXZ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4ZXZ
Chain ID: A
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 | 431 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7854831.102359 |
---|---|
FMO2-HF: Nuclear repulsion | 7685974.149259 |
FMO2-HF: Total energy | -168856.9531 |
FMO2-MP2: Total energy | -169343.323391 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026430/ligand_interaction/ligand_F026430.png)
Ligand Interaction
![ligand interaction](./Kdata/F026430/ligand_interaction/ligand_interaction_F026430.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:10:ASN)
Summations of interaction energy for
fragment #1(A:10: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. |
-12.864 | -8.405 | 0.556 | -1.973 | -3.039 | -0.002 |
Interaction energy analysis for fragmet #1(A:10: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 | A | 12 | LEU | 0 | -0.007 | 0.014 | 3.834 | -1.242 | 0.066 | -0.015 | -0.566 | -0.727 | 0.001 |
4 | A | 13 | ASP | -1 | -0.883 | -0.938 | 6.708 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 14 | PHE | 0 | 0.013 | 0.002 | 7.938 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 15 | THR | 0 | 0.025 | 0.017 | 11.693 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 16 | VAL | 0 | -0.034 | -0.016 | 14.840 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 17 | LEU | 0 | 0.007 | 0.011 | 17.416 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 18 | GLY | 0 | -0.002 | 0.002 | 21.189 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 19 | LEU | 0 | 0.006 | -0.009 | 23.066 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 20 | ASN | 0 | -0.034 | -0.051 | 26.579 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 21 | SER | 0 | 0.023 | 0.021 | 29.377 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 22 | GLY | 0 | 0.080 | 0.052 | 33.037 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 23 | THR | 0 | 0.024 | -0.013 | 35.171 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 24 | SER | 0 | -0.046 | -0.032 | 38.309 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 25 | MET | 0 | -0.065 | -0.010 | 37.558 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 26 | ASP | -1 | -0.879 | -0.951 | 38.754 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 27 | GLY | 0 | -0.006 | -0.006 | 36.734 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 28 | ILE | 0 | -0.049 | -0.006 | 30.955 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 29 | ASP | -1 | -0.831 | -0.905 | 30.045 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 30 | LEU | 0 | -0.031 | -0.033 | 27.042 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 31 | ALA | 0 | 0.012 | -0.004 | 24.443 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 32 | LEU | 0 | -0.015 | 0.006 | 20.151 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 33 | CYS | 0 | -0.041 | -0.024 | 18.892 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 34 | HIS | 0 | -0.042 | -0.032 | 11.673 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 35 | PHE | 0 | 0.016 | -0.002 | 12.993 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 36 | TYR | 0 | 0.014 | 0.001 | 6.804 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 37 | GLN | 0 | 0.068 | 0.026 | 8.840 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 38 | LYS | 1 | 0.951 | 0.982 | 6.434 | -0.836 | -0.836 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 39 | THR | 0 | 0.003 | -0.018 | 5.296 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 40 | PRO | 0 | 0.056 | 0.012 | 6.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 41 | ASP | -1 | -0.908 | -0.948 | 9.664 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 42 | ALA | 0 | -0.105 | -0.026 | 10.394 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 43 | PRO | 0 | 0.042 | 0.013 | 12.291 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 44 | MET | 0 | -0.045 | 0.010 | 12.202 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 45 | GLU | -1 | -0.922 | -0.957 | 12.539 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 46 | PHE | 0 | 0.050 | 0.011 | 14.805 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 47 | GLU | -1 | -0.764 | -0.856 | 17.555 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 48 | LEU | 0 | 0.008 | 0.019 | 19.441 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 49 | LEU | 0 | -0.046 | -0.027 | 18.098 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 50 | GLU | -1 | -0.833 | -0.926 | 22.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 51 | TYR | 0 | -0.018 | -0.014 | 25.167 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 52 | GLY | 0 | -0.009 | -0.011 | 27.877 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 53 | GLU | -1 | -0.881 | -0.910 | 30.896 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 54 | VAL | 0 | -0.008 | 0.010 | 32.713 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 55 | PRO | 0 | 0.043 | 0.008 | 35.102 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 56 | TRP | 0 | 0.008 | 0.002 | 34.723 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 57 | ALA | 0 | 0.004 | 0.006 | 39.120 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 58 | GLN | 0 | 0.058 | 0.002 | 41.311 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 59 | PRO | 0 | -0.029 | -0.011 | 43.911 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 60 | ILE | 0 | 0.043 | 0.016 | 39.097 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 61 | LYS | 1 | 0.903 | 0.963 | 41.596 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 62 | GLN | 0 | 0.005 | 0.003 | 42.467 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 63 | ARG | 1 | 0.692 | 0.809 | 43.342 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 64 | VAL | 0 | 0.010 | -0.006 | 39.315 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 65 | MET | 0 | -0.015 | -0.015 | 41.709 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 66 | ARG | 1 | 0.805 | 0.869 | 44.724 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 67 | MET | 0 | -0.050 | -0.021 | 41.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 68 | ILE | 0 | 0.000 | -0.002 | 40.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 69 | GLN | 0 | -0.072 | -0.023 | 44.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 70 | GLU | -1 | -0.804 | -0.874 | 48.144 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 71 | ASP | -1 | -0.818 | -0.885 | 45.752 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 72 | THR | 0 | -0.039 | -0.016 | 47.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 73 | THR | 0 | 0.002 | -0.008 | 44.351 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 74 | SER | 0 | -0.001 | 0.010 | 47.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 75 | LEU | 0 | 0.059 | 0.012 | 43.371 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 76 | SER | 0 | 0.006 | -0.002 | 43.102 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 77 | GLU | -1 | -0.804 | -0.858 | 43.488 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 78 | LEU | 0 | 0.021 | 0.013 | 40.474 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 79 | SER | 0 | -0.017 | -0.011 | 38.988 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 80 | GLU | -1 | -0.847 | -0.917 | 38.570 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 81 | VAL | 0 | -0.017 | -0.016 | 38.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 82 | ASN | 0 | 0.028 | -0.001 | 32.982 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 83 | VAL | 0 | 0.010 | 0.005 | 34.472 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 84 | ILE | 0 | 0.025 | 0.013 | 35.001 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 85 | LEU | 0 | -0.007 | 0.009 | 34.281 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 86 | GLY | 0 | 0.013 | 0.008 | 31.410 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 87 | GLU | -1 | -0.782 | -0.870 | 31.475 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 88 | THR | 0 | -0.040 | -0.022 | 33.429 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 89 | PHE | 0 | 0.001 | -0.007 | 29.327 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 90 | ALA | 0 | -0.010 | -0.005 | 28.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 91 | ASP | -1 | -0.900 | -0.951 | 29.932 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 92 | ALA | 0 | -0.037 | -0.014 | 31.083 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 93 | VAL | 0 | -0.011 | -0.005 | 25.387 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 94 | HIS | 0 | -0.007 | -0.012 | 28.233 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 95 | GLN | 0 | -0.075 | -0.043 | 30.022 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 96 | PHE | 0 | 0.018 | 0.007 | 25.524 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 97 | ALA | 0 | 0.005 | 0.000 | 26.501 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 98 | ALA | 0 | 0.002 | 0.009 | 27.911 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 99 | GLU | -1 | -0.912 | -0.951 | 31.086 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 100 | ARG | 1 | 0.782 | 0.909 | 27.851 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 101 | ASN | 0 | -0.102 | -0.049 | 27.880 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 102 | VAL | 0 | -0.017 | -0.004 | 22.543 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 103 | ASP | -1 | -0.830 | -0.889 | 22.083 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 104 | LEU | 0 | 0.060 | 0.015 | 21.720 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 105 | SER | 0 | -0.102 | -0.061 | 19.974 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 106 | THR | 0 | -0.093 | -0.061 | 17.175 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 107 | ILE | 0 | -0.019 | -0.002 | 16.646 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 108 | ASP | -1 | -0.818 | -0.894 | 12.203 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 109 | ALA | 0 | -0.011 | -0.010 | 15.208 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 110 | ILE | 0 | 0.027 | 0.025 | 17.255 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 111 | GLY | 0 | 0.015 | 0.013 | 20.658 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 112 | SER | 0 | -0.029 | -0.022 | 21.455 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 113 | HIS | 0 | 0.010 | 0.019 | 25.166 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 114 | GLY | 0 | -0.004 | 0.012 | 27.440 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 115 | GLN | 0 | 0.025 | 0.006 | 30.306 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 116 | THR | 0 | -0.012 | -0.018 | 33.594 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 117 | ILE | 0 | -0.061 | -0.035 | 35.343 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 118 | TRP | 0 | 0.016 | -0.006 | 37.346 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 119 | LEU | 0 | 0.014 | 0.009 | 34.567 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 120 | ASN | 0 | -0.001 | 0.005 | 37.753 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 121 | SER | 0 | 0.022 | -0.006 | 36.295 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 122 | MET | 0 | -0.038 | -0.003 | 37.768 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 123 | PRO | 0 | -0.031 | -0.001 | 40.020 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 124 | GLU | -1 | -0.881 | -0.928 | 42.995 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 125 | GLU | -1 | -0.946 | -0.989 | 45.577 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 126 | GLY | 0 | -0.050 | -0.026 | 46.517 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 127 | GLN | 0 | -0.045 | -0.019 | 43.659 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 128 | VAL | 0 | -0.014 | -0.007 | 39.042 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 129 | LYS | 1 | 0.820 | 0.917 | 34.296 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 130 | SER | 0 | -0.052 | -0.023 | 35.423 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 131 | CYS | 0 | 0.014 | -0.001 | 32.707 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 132 | LEU | 0 | -0.045 | -0.012 | 34.418 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 133 | THR | 0 | 0.009 | 0.005 | 30.482 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 134 | MET | 0 | -0.029 | 0.010 | 31.687 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 135 | GLY | 0 | 0.050 | 0.008 | 31.303 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 136 | GLU | -1 | -0.923 | -0.938 | 29.513 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 137 | GLY | 0 | 0.100 | 0.040 | 26.221 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 138 | ALA | 0 | -0.021 | -0.013 | 26.098 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 139 | ILE | 0 | -0.032 | -0.007 | 27.542 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 140 | ILE | 0 | 0.029 | 0.019 | 25.225 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 141 | ALA | 0 | 0.023 | 0.025 | 23.253 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 142 | ALA | 0 | -0.074 | -0.036 | 24.697 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 143 | ARG | 1 | 0.761 | 0.836 | 27.379 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 144 | THR | 0 | 0.012 | 0.002 | 24.511 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 145 | GLY | 0 | -0.012 | 0.001 | 23.737 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 146 | ILE | 0 | -0.003 | 0.012 | 18.730 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 147 | THR | 0 | -0.006 | -0.027 | 16.668 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 148 | THR | 0 | -0.020 | -0.006 | 19.145 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 149 | ILE | 0 | -0.034 | -0.011 | 16.846 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 150 | THR | 0 | 0.044 | 0.022 | 21.030 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 151 | ASP | -1 | -0.788 | -0.888 | 24.102 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 152 | PHE | 0 | 0.037 | 0.005 | 20.455 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 153 | ARG | 1 | 0.867 | 0.908 | 25.370 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 154 | ILE | 0 | 0.043 | 0.010 | 28.274 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 155 | SER | 0 | 0.008 | 0.020 | 24.468 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 156 | ASP | -1 | -0.783 | -0.883 | 26.542 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 157 | ILE | 0 | 0.010 | 0.008 | 27.653 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 158 | ALA | 0 | -0.054 | -0.020 | 28.015 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 159 | ALA | 0 | -0.050 | -0.021 | 26.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 160 | GLY | 0 | -0.015 | -0.005 | 28.354 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 161 | ARG | 1 | 0.776 | 0.883 | 25.401 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 162 | GLN | 0 | 0.027 | -0.006 | 31.859 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 163 | GLY | 0 | 0.015 | 0.024 | 30.055 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 164 | ALA | 0 | -0.052 | -0.014 | 30.772 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 165 | PRO | 0 | 0.080 | 0.043 | 31.769 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 166 | LEU | 0 | -0.074 | -0.038 | 26.150 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 167 | HIS | 0 | 0.011 | 0.025 | 26.981 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 168 | ALA | 0 | 0.021 | 0.011 | 27.278 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 169 | PHE | 0 | -0.020 | -0.014 | 20.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 170 | PHE | 0 | 0.034 | 0.015 | 21.748 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 171 | ASP | -1 | -0.715 | -0.836 | 24.248 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 172 | ALA | 0 | 0.027 | 0.007 | 26.044 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 173 | LEU | 0 | -0.030 | -0.018 | 19.757 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 174 | LEU | 0 | -0.036 | -0.018 | 23.452 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 175 | LEU | 0 | -0.007 | -0.004 | 24.979 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 176 | HIS | 1 | 0.745 | 0.863 | 22.972 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 177 | HIS | 0 | 0.053 | 0.037 | 27.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 178 | PRO | 0 | 0.004 | -0.007 | 28.552 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 179 | THR | 0 | -0.061 | -0.046 | 30.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 180 | LYS | 1 | 0.861 | 0.941 | 33.977 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 181 | LEU | 0 | -0.035 | 0.001 | 34.252 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 182 | ARG | 1 | 0.740 | 0.841 | 30.062 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 183 | ALA | 0 | 0.013 | 0.012 | 34.899 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 184 | CYS | 0 | -0.089 | -0.033 | 30.893 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 185 | GLN | 0 | 0.054 | 0.040 | 34.181 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 186 | ASN | 0 | -0.009 | -0.022 | 33.820 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 187 | ILE | 0 | -0.025 | -0.008 | 35.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 188 | GLY | 0 | 0.075 | 0.052 | 37.347 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 189 | GLY | 0 | 0.035 | 0.015 | 38.248 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 190 | ILE | 0 | -0.008 | -0.009 | 38.060 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 191 | ALA | 0 | -0.005 | -0.004 | 38.351 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 192 | ASN | 0 | 0.017 | 0.012 | 32.810 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 193 | VAL | 0 | -0.031 | -0.002 | 35.960 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 194 | THR | 0 | -0.017 | -0.019 | 30.132 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 195 | PHE | 0 | -0.016 | -0.018 | 33.491 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 196 | ILE | 0 | -0.013 | -0.027 | 29.537 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 197 | PRO | 0 | -0.011 | -0.008 | 32.390 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 198 | PRO | 0 | 0.017 | 0.020 | 31.810 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 199 | ASP | -1 | -0.857 | -0.909 | 27.201 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 200 | VAL | 0 | -0.018 | -0.014 | 29.016 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 201 | ASP | -1 | -0.939 | -0.973 | 28.345 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 202 | GLY | 0 | -0.072 | -0.038 | 26.580 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 203 | ARG | 1 | 0.890 | 0.951 | 19.161 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 204 | LEU | 0 | 0.052 | 0.036 | 23.134 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 205 | THR | 0 | 0.000 | 0.010 | 25.852 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 206 | ASP | -1 | -0.808 | -0.909 | 26.942 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 207 | GLU | -1 | -0.915 | -0.963 | 28.595 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 208 | TYR | 0 | -0.001 | 0.018 | 24.788 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 209 | TYR | 0 | -0.056 | -0.053 | 31.095 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 210 | ASP | -1 | -0.798 | -0.920 | 30.835 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 211 | PHE | 0 | -0.028 | -0.015 | 33.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 212 | ASP | -1 | -0.770 | -0.885 | 36.174 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 213 | THR | 0 | -0.017 | -0.014 | 38.335 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 214 | GLY | 0 | 0.011 | 0.001 | 41.346 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 215 | PRO | 0 | -0.035 | 0.001 | 41.970 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 216 | GLY | 0 | 0.045 | 0.021 | 41.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 217 | THR | 0 | -0.053 | -0.045 | 42.200 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 218 | VAL | 0 | -0.004 | 0.012 | 43.111 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 219 | MET | 0 | -0.035 | -0.017 | 44.858 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 220 | ILE | 0 | 0.031 | 0.019 | 46.823 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 221 | ASP | -1 | -0.785 | -0.898 | 44.407 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 222 | ALA | 0 | -0.048 | -0.025 | 48.117 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 223 | VAL | 0 | -0.008 | -0.006 | 50.167 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 224 | VAL | 0 | -0.001 | -0.007 | 50.715 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 225 | ARG | 1 | 0.890 | 0.962 | 46.881 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 226 | HIS | 0 | -0.053 | -0.023 | 52.251 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 227 | PHE | 0 | -0.031 | -0.023 | 55.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 228 | THR | 0 | 0.010 | -0.003 | 54.178 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 229 | ASN | 0 | -0.075 | -0.042 | 56.551 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 230 | GLY | 0 | 0.011 | 0.009 | 52.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 231 | GLU | -1 | -1.009 | -0.981 | 51.657 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 232 | GLN | 0 | -0.024 | -0.013 | 50.586 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 233 | GLU | -1 | -0.837 | -0.929 | 45.458 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 234 | TYR | 0 | 0.012 | 0.007 | 44.296 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 235 | ASP | -1 | -0.775 | -0.888 | 47.753 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 236 | LYS | 1 | 0.928 | 0.968 | 47.409 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 237 | ASP | -1 | -0.905 | -0.965 | 46.969 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 238 | GLY | 0 | -0.039 | -0.012 | 48.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 239 | GLU | -1 | -0.906 | -0.949 | 50.630 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 240 | MET | 0 | -0.050 | -0.039 | 53.727 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 241 | GLY | 0 | -0.039 | -0.026 | 53.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 242 | LYS | 1 | 0.807 | 0.902 | 52.291 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 243 | ARG | 1 | 0.766 | 0.875 | 55.988 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 244 | GLY | 0 | -0.003 | 0.027 | 58.201 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 245 | LYS | 1 | 0.792 | 0.874 | 59.361 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 246 | VAL | 0 | 0.025 | 0.009 | 56.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 247 | ASP | -1 | -0.771 | -0.888 | 59.003 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 248 | GLN | 0 | -0.059 | -0.067 | 55.921 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 249 | GLU | -1 | -0.882 | -0.918 | 59.095 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 250 | LEU | 0 | 0.009 | -0.003 | 58.395 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 251 | VAL | 0 | -0.041 | -0.002 | 53.698 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 252 | ASP | -1 | -0.829 | -0.918 | 55.116 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 253 | ASP | -1 | -0.953 | -0.969 | 56.704 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 254 | PHE | 0 | 0.046 | 0.018 | 49.800 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 255 | LEU | 0 | -0.029 | -0.014 | 50.090 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 256 | LYS | 1 | 0.841 | 0.918 | 52.361 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 257 | HIS | 0 | -0.013 | -0.001 | 48.182 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 258 | PRO | 0 | 0.038 | 0.000 | 49.790 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 259 | TYR | 0 | 0.035 | 0.003 | 40.673 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 260 | PHE | 0 | 0.001 | 0.002 | 45.853 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 261 | GLN | 0 | -0.064 | -0.035 | 47.536 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 262 | LEU | 0 | -0.024 | 0.016 | 43.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 263 | ASP | -1 | -0.829 | -0.882 | 43.089 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 264 | PRO | 0 | -0.041 | -0.004 | 38.158 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 265 | PRO | 0 | -0.032 | -0.010 | 35.518 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 266 | LYS | 1 | 0.819 | 0.878 | 37.517 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 267 | THR | 0 | 0.028 | 0.016 | 34.803 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 268 | CYS | 0 | -0.084 | -0.034 | 38.155 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 269 | GLY | 0 | 0.093 | 0.036 | 38.547 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 270 | ARG | 1 | 0.847 | 0.907 | 40.295 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 271 | GLU | -1 | -0.826 | -0.901 | 41.127 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 272 | VAL | 0 | -0.006 | -0.003 | 43.893 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 273 | PHE | 0 | -0.042 | -0.027 | 44.002 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 274 | ARG | 1 | 0.828 | 0.919 | 46.607 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 275 | ASP | -1 | -0.778 | -0.902 | 47.607 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 276 | SER | 0 | 0.012 | 0.004 | 50.039 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 277 | LEU | 0 | -0.013 | -0.002 | 49.764 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 278 | ALA | 0 | 0.021 | 0.011 | 51.096 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 279 | HIS | 0 | 0.043 | 0.018 | 53.085 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 280 | ASP | -1 | -0.802 | -0.870 | 56.093 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 281 | LEU | 0 | -0.046 | -0.013 | 54.065 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 282 | ILE | 0 | 0.044 | 0.025 | 55.400 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 283 | ARG | 1 | 0.875 | 0.930 | 58.827 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 284 | ARG | 1 | 0.825 | 0.882 | 58.910 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 285 | ALA | 0 | 0.013 | 0.010 | 60.138 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 286 | GLU | -1 | -0.876 | -0.946 | 62.232 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 287 | ALA | 0 | -0.096 | -0.042 | 64.638 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 288 | LYS | 1 | 0.736 | 0.854 | 63.477 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 289 | GLY | 0 | -0.043 | -0.018 | 67.105 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 290 | LEU | 0 | -0.067 | -0.020 | 60.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 291 | SER | 0 | -0.038 | -0.039 | 63.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 292 | PRO | 0 | 0.072 | 0.009 | 59.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 293 | ASP | -1 | -0.735 | -0.838 | 58.153 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 294 | ASP | -1 | -0.769 | -0.855 | 57.988 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 295 | ILE | 0 | -0.026 | 0.008 | 56.489 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 296 | VAL | 0 | 0.026 | 0.009 | 52.702 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 297 | ALA | 0 | 0.006 | 0.019 | 53.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 298 | THR | 0 | -0.018 | -0.024 | 54.273 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 299 | VAL | 0 | -0.005 | -0.007 | 50.608 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 300 | THR | 0 | -0.036 | -0.028 | 49.027 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 301 | ARG | 1 | 0.946 | 0.963 | 49.635 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 302 | ILE | 0 | -0.008 | 0.020 | 49.331 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 303 | THR | 0 | -0.019 | -0.010 | 44.707 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 304 | ALA | 0 | -0.012 | -0.008 | 46.474 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 305 | GLN | 0 | 0.005 | 0.001 | 47.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 306 | SER | 0 | -0.026 | 0.000 | 46.265 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 307 | ILE | 0 | -0.011 | -0.001 | 42.388 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 308 | VAL | 0 | 0.017 | -0.001 | 44.508 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 309 | ASP | -1 | -0.845 | -0.933 | 46.867 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 310 | ALA | 0 | -0.017 | 0.002 | 42.628 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 311 | TYR | 0 | -0.040 | -0.041 | 40.292 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 312 | ARG | 1 | 0.878 | 0.936 | 43.840 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 313 | ARG | 1 | 0.836 | 0.915 | 46.494 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 314 | TYR | 0 | -0.050 | -0.043 | 41.360 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 315 | ALA | 0 | -0.003 | 0.034 | 40.321 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 316 | PRO | 0 | -0.040 | -0.015 | 37.263 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 317 | SER | 0 | 0.009 | -0.008 | 40.148 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 318 | GLN | 0 | 0.016 | 0.010 | 42.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 319 | GLU | -1 | -0.963 | -0.973 | 43.309 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 320 | ILE | 0 | -0.009 | -0.001 | 39.075 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 321 | ASP | -1 | -0.823 | -0.886 | 37.924 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 322 | GLU | -1 | -0.792 | -0.898 | 35.079 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 323 | ILE | 0 | 0.023 | 0.015 | 37.255 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 324 | PHE | 0 | -0.022 | -0.021 | 33.667 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 325 | LEU | 0 | 0.009 | 0.001 | 35.734 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 326 | CYS | 0 | -0.031 | -0.022 | 33.296 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 327 | GLY | 0 | 0.122 | 0.068 | 35.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 328 | GLY | 0 | 0.021 | 0.000 | 36.326 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 329 | GLY | 0 | 0.036 | -0.003 | 39.376 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 330 | ALA | 0 | -0.051 | -0.016 | 38.825 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 331 | TYR | 0 | -0.022 | -0.014 | 37.081 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 332 | ASN | 0 | 0.026 | 0.009 | 43.070 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 333 | PRO | 0 | 0.027 | 0.018 | 46.156 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 334 | ASN | 0 | -0.012 | -0.018 | 48.200 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 335 | ILE | 0 | -0.033 | -0.009 | 44.598 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 336 | VAL | 0 | 0.036 | 0.015 | 43.402 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 337 | GLU | -1 | -0.841 | -0.915 | 45.934 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 338 | PHE | 0 | -0.043 | -0.018 | 49.335 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 339 | ILE | 0 | 0.036 | 0.007 | 43.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 340 | GLN | 0 | -0.033 | -0.028 | 45.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 341 | GLN | 0 | -0.072 | -0.043 | 47.587 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 342 | ALA | 0 | -0.052 | -0.014 | 48.588 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 343 | TYR | 0 | -0.022 | -0.022 | 45.476 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 344 | PRO | 0 | -0.008 | 0.008 | 46.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 345 | ASN | 0 | -0.040 | -0.034 | 46.818 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 346 | THR | 0 | -0.012 | -0.001 | 41.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 347 | LYS | 1 | 0.866 | 0.918 | 39.440 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 348 | ILE | 0 | 0.020 | 0.009 | 40.172 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 349 | MET | 0 | -0.009 | 0.035 | 36.282 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 350 | MET | 0 | 0.051 | 0.039 | 36.155 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 351 | LEU | 0 | 0.031 | -0.004 | 29.090 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 352 | ASP | -1 | -0.837 | -0.924 | 31.481 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 353 | GLU | -1 | -0.962 | -0.972 | 31.665 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 354 | ALA | 0 | -0.060 | -0.031 | 29.466 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 355 | GLY | 0 | -0.023 | -0.016 | 27.312 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 356 | ILE | 0 | -0.059 | -0.032 | 23.813 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 357 | PRO | 0 | 0.010 | 0.007 | 27.748 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 358 | ALA | 0 | 0.022 | 0.009 | 30.195 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 359 | ARG | 1 | 0.865 | 0.910 | 32.327 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 360 | ALA | 0 | 0.013 | 0.019 | 27.496 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 361 | LYS | 1 | 0.819 | 0.898 | 27.286 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 362 | GLU | -1 | -0.807 | -0.913 | 26.603 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 363 | ALA | 0 | 0.032 | 0.026 | 26.428 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 364 | ILE | 0 | 0.005 | -0.011 | 21.914 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 365 | THR | 0 | -0.055 | -0.024 | 21.891 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 366 | PHE | 0 | 0.047 | 0.011 | 21.958 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 367 | ALA | 0 | 0.041 | 0.020 | 19.573 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 368 | TRP | 0 | -0.057 | -0.047 | 17.332 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 369 | LEU | 0 | -0.008 | -0.012 | 17.192 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 370 | GLY | 0 | 0.022 | 0.004 | 17.951 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 371 | MET | 0 | -0.050 | -0.010 | 12.361 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 372 | GLU | -1 | -0.722 | -0.854 | 13.025 | -1.019 | -1.019 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 373 | CYS | 0 | -0.068 | -0.031 | 14.263 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 374 | LEU | 0 | -0.047 | -0.019 | 11.429 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 375 | VAL | 0 | -0.048 | -0.029 | 8.158 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 376 | GLY | 0 | -0.042 | 0.006 | 10.541 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 377 | ARG | 1 | 0.768 | 0.856 | 11.493 | 1.102 | 1.102 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 378 | SER | 0 | -0.020 | -0.014 | 14.663 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 379 | ILE | 0 | 0.007 | 0.010 | 17.925 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 380 | PRO | 0 | 0.006 | -0.002 | 19.179 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 381 | VAL | 0 | -0.018 | 0.004 | 21.837 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 382 | PRO | 0 | 0.047 | 0.043 | 25.224 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 383 | SER | 0 | 0.013 | 0.004 | 28.387 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 384 | ARG | 1 | 0.859 | 0.909 | 31.265 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 385 | VAL | 0 | 0.017 | 0.019 | 29.779 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 386 | GLU | -1 | -0.818 | -0.911 | 33.253 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 387 | THR | 0 | -0.012 | -0.014 | 29.699 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 388 | ARG | 1 | 0.795 | 0.864 | 26.866 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 389 | GLN | 0 | -0.026 | 0.006 | 25.370 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 390 | GLY | 0 | 0.053 | 0.032 | 21.375 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 391 | TYR | 0 | -0.016 | -0.028 | 21.778 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 392 | VAL | 0 | -0.014 | 0.011 | 16.778 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 393 | LEU | 0 | -0.017 | -0.013 | 19.474 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 394 | GLY | 0 | 0.039 | 0.015 | 20.335 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 395 | LYS | 1 | 0.803 | 0.894 | 21.877 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 396 | ILE | 0 | 0.016 | -0.002 | 16.098 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 397 | SER | 0 | -0.012 | 0.000 | 20.379 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 398 | PRO | 0 | -0.055 | -0.039 | 19.530 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 399 | GLY | 0 | 0.098 | 0.059 | 19.419 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 400 | LEU | 0 | -0.044 | -0.039 | 20.111 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 401 | ASN | 0 | -0.013 | 0.001 | 15.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 402 | TYR | 0 | 0.023 | 0.030 | 14.984 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 403 | ARG | 1 | 0.975 | 0.961 | 14.308 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 404 | SER | 0 | -0.021 | -0.012 | 11.733 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 405 | VAL | 0 | 0.058 | 0.031 | 10.148 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 406 | MET | 0 | 0.030 | 0.020 | 9.841 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 407 | LYS | 1 | 0.878 | 0.939 | 8.472 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 408 | LYS | 1 | 0.793 | 0.894 | 5.445 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 409 | GLY | 0 | 0.018 | 0.015 | 5.136 | -1.307 | -1.263 | -0.001 | 0.000 | -0.043 | 0.000 |
401 | A | 410 | MET | 0 | -0.039 | -0.037 | 7.081 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 411 | ALA | 0 | -0.024 | 0.005 | 2.851 | -1.256 | -0.258 | 0.481 | -0.422 | -1.057 | 0.004 |
403 | A | 412 | PHE | 0 | -0.029 | 0.000 | 3.295 | -6.090 | -4.270 | 0.093 | -0.967 | -0.946 | -0.007 |
404 | A | 413 | GLY | 0 | 0.029 | 0.006 | 4.181 | 1.078 | 1.247 | 0.000 | -0.009 | -0.159 | 0.000 |
405 | A | 414 | GLY | 0 | -0.055 | -0.024 | 4.412 | 1.054 | 1.120 | -0.001 | -0.009 | -0.055 | 0.000 |
406 | A | 415 | ASP | -1 | -0.935 | -0.972 | 5.280 | -1.968 | -1.914 | -0.001 | 0.000 | -0.052 | 0.000 |
407 | A | 416 | ALA | 0 | -0.067 | -0.018 | 8.622 | 0.482 | 0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 417 | GLN | 0 | -0.013 | -0.017 | 10.646 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 418 | GLN | 0 | -0.017 | -0.006 | 13.415 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 419 | LEU | 0 | 0.020 | 0.013 | 9.221 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 420 | PRO | 0 | -0.010 | 0.001 | 12.299 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 421 | PRO | 0 | 0.030 | 0.000 | 14.398 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 422 | VAL | 0 | 0.009 | 0.014 | 14.336 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 423 | SER | 0 | -0.017 | -0.019 | 16.478 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 424 | GLU | -1 | -0.802 | -0.887 | 17.721 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 425 | MET | 0 | -0.034 | 0.000 | 17.274 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 426 | ILE | 0 | -0.027 | -0.003 | 15.984 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 427 | VAL | 0 | 0.054 | 0.034 | 18.485 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 428 | LYS | 1 | 0.830 | 0.911 | 15.645 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 429 | LYS | 1 | 0.848 | 0.897 | 20.593 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 430 | LYS | 1 | 0.947 | 0.949 | 21.980 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 431 | GLY | 0 | -0.015 | -0.003 | 19.183 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 432 | LYS | 1 | 0.858 | 0.925 | 20.074 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 433 | VAL | 0 | 0.032 | 0.014 | 19.577 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 434 | ILE | 0 | -0.025 | -0.006 | 22.121 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 435 | THR | 0 | 0.005 | -0.002 | 24.285 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 436 | ASN | 0 | 0.056 | 0.026 | 26.184 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 437 | ASN | 0 | 0.024 | 0.016 | 25.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 438 | TRP | 0 | -0.081 | -0.048 | 29.347 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 439 | ASP | -1 | -0.896 | -0.949 | 32.622 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 440 | LEU | 0 | -0.012 | 0.011 | 30.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |