![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 6NZ6Z
Calculation Name: 5BQ9-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5BQ9
Chain ID: B
UniProt ID: Q5ZVE4
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 437 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7670074.95998 |
---|---|
FMO2-HF: Nuclear repulsion | 7497858.282637 |
FMO2-HF: Total energy | -172216.677343 |
FMO2-MP2: Total energy | -172718.829262 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026437/ligand_interaction/ligand_F026437.png)
Ligand Interaction
![ligand interaction](./Kdata/F026437/ligand_interaction/ligand_interaction_F026437.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(B:-5:ASN)
Summations of interaction energy for
fragment #1(B:-5: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. |
-3.912 | 1.456 | 1.089 | -2.568 | -3.888 | -0.005 |
Interaction energy analysis for fragmet #1(B:-5:ASN)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | B | -3 | TYR | 0 | 0.014 | 0.002 | 2.814 | -5.566 | -0.198 | 1.089 | -2.568 | -3.888 | -0.005 |
4 | B | -2 | PHE | 0 | 0.004 | -0.015 | 5.611 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | -1 | GLN | 0 | -0.013 | 0.001 | 9.121 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 0 | GLY | 0 | 0.016 | 0.025 | 11.966 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 1 | MET | 0 | -0.004 | -0.009 | 14.364 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 2 | VAL | 0 | 0.001 | 0.006 | 16.911 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 3 | THR | 0 | 0.005 | 0.012 | 14.390 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 4 | LYS | 1 | 0.904 | 0.944 | 15.643 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 5 | ILE | 0 | -0.015 | 0.018 | 18.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 6 | ILE | 0 | 0.002 | -0.020 | 21.516 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 7 | TRP | 0 | -0.017 | 0.003 | 24.799 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 8 | VAL | 0 | -0.009 | 0.006 | 27.544 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 9 | SER | 0 | 0.002 | -0.013 | 30.137 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 10 | ASN | 0 | 0.025 | 0.019 | 31.870 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 11 | ASN | 0 | -0.016 | -0.019 | 35.171 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 12 | GLY | 0 | 0.019 | 0.020 | 38.200 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 13 | LYS | 1 | 0.950 | 0.988 | 38.194 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 14 | PRO | 0 | -0.019 | -0.014 | 34.133 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 15 | ASN | 0 | 0.005 | -0.018 | 31.527 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 16 | LEU | 0 | 0.032 | 0.005 | 26.397 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 17 | LYS | 1 | 0.917 | 0.968 | 23.550 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 18 | ILE | 0 | 0.008 | -0.005 | 22.224 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 19 | GLU | -1 | -0.909 | -0.945 | 19.094 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 20 | PHE | 0 | 0.006 | -0.018 | 17.981 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 21 | VAL | 0 | 0.009 | -0.002 | 12.627 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 22 | SER | 0 | 0.016 | 0.005 | 15.018 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 23 | GLU | -1 | -0.902 | -0.947 | 17.278 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 24 | GLU | -1 | -0.870 | -0.944 | 18.701 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 25 | GLU | -1 | -0.836 | -0.935 | 16.898 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 26 | LYS | 1 | 0.796 | 0.912 | 20.345 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 27 | SER | 0 | -0.042 | -0.035 | 22.521 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 28 | ASN | 0 | -0.029 | -0.012 | 22.321 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 29 | PHE | 0 | 0.019 | 0.012 | 23.209 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 30 | PHE | 0 | -0.003 | -0.016 | 25.145 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 31 | LYS | 1 | 0.890 | 0.949 | 28.115 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 32 | GLU | -1 | -0.878 | -0.944 | 26.135 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 33 | VAL | 0 | 0.008 | 0.006 | 27.882 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 34 | LYS | 1 | 0.945 | 0.984 | 30.581 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 35 | LYS | 1 | 0.900 | 0.968 | 33.176 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 36 | LYS | 1 | 0.963 | 0.989 | 32.397 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 37 | ALA | 0 | 0.004 | -0.006 | 34.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 38 | SER | 0 | -0.046 | -0.038 | 36.501 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 39 | GLU | -1 | -0.890 | -0.942 | 37.050 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 40 | LEU | 0 | -0.047 | -0.008 | 36.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 41 | GLY | 0 | 0.026 | 0.029 | 40.344 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 42 | LEU | 0 | -0.033 | -0.021 | 38.213 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 43 | ASN | 0 | -0.005 | -0.003 | 39.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 44 | PHE | 0 | 0.042 | 0.014 | 31.481 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 45 | PRO | 0 | 0.001 | 0.018 | 35.339 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 46 | LEU | 0 | -0.027 | -0.007 | 28.499 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 47 | VAL | 0 | -0.004 | -0.013 | 31.570 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 48 | GLN | 0 | -0.035 | -0.020 | 29.021 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 49 | GLY | 0 | 0.055 | 0.023 | 27.835 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 50 | SER | 0 | 0.003 | -0.008 | 26.314 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 51 | GLY | 0 | 0.031 | 0.019 | 23.496 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 52 | ASN | 0 | 0.094 | 0.057 | 17.974 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 53 | SER | 0 | -0.018 | -0.017 | 20.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 54 | LEU | 0 | -0.062 | -0.016 | 23.635 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 55 | LEU | 0 | 0.025 | 0.012 | 26.344 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 56 | ILE | 0 | -0.035 | 0.003 | 28.775 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 57 | GLU | -1 | -0.863 | -0.927 | 31.362 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 58 | ALA | 0 | 0.044 | 0.019 | 34.677 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 59 | SER | 0 | -0.065 | -0.045 | 37.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 60 | ASN | 0 | -0.057 | -0.032 | 39.729 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 61 | TYR | 0 | 0.032 | 0.053 | 43.212 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 62 | PRO | 0 | 0.014 | -0.017 | 45.549 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 63 | ILE | 0 | -0.004 | 0.000 | 46.442 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 64 | ASN | 0 | -0.033 | -0.046 | 40.504 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 65 | PRO | 0 | 0.022 | 0.023 | 42.217 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 66 | CYS | 0 | -0.043 | -0.013 | 37.702 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 67 | GLY | 0 | 0.028 | 0.019 | 35.383 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 68 | CYS | 0 | -0.071 | -0.019 | 32.538 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 69 | TYR | 0 | 0.022 | 0.004 | 35.147 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 70 | ILE | 0 | 0.011 | 0.008 | 36.243 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 71 | SER | 0 | -0.040 | -0.035 | 36.372 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 72 | PRO | 0 | 0.049 | 0.004 | 38.727 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 73 | GLY | 0 | 0.021 | 0.005 | 38.893 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 74 | GLY | 0 | -0.031 | -0.019 | 37.274 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 75 | LYS | 1 | 0.914 | 0.980 | 33.712 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 76 | LEU | 0 | 0.037 | 0.058 | 29.375 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 77 | ALA | 0 | 0.022 | 0.013 | 32.515 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 78 | ILE | 0 | 0.010 | -0.002 | 29.902 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 79 | ASN | 0 | 0.006 | 0.016 | 34.114 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 80 | PHE | 0 | 0.045 | -0.009 | 30.165 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 81 | GLY | 0 | 0.022 | 0.012 | 35.951 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 82 | LYS | 1 | 0.862 | 0.910 | 38.169 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 83 | VAL | 0 | 0.106 | 0.055 | 36.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 84 | GLU | -1 | -0.850 | -0.924 | 34.863 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 85 | LEU | 0 | -0.043 | -0.015 | 32.739 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 86 | SER | 0 | -0.020 | -0.025 | 31.498 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 87 | HIS | 0 | -0.015 | -0.019 | 29.851 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 88 | PHE | 0 | -0.018 | -0.010 | 29.149 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 89 | ILE | 0 | -0.012 | -0.007 | 26.808 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 90 | LEU | 0 | 0.017 | 0.003 | 25.410 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 91 | PRO | 0 | -0.012 | -0.002 | 23.492 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 92 | LYS | 1 | 0.886 | 0.956 | 21.678 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 93 | VAL | 0 | -0.024 | -0.013 | 20.644 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 94 | GLY | 0 | 0.022 | 0.016 | 19.701 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 95 | VAL | 0 | -0.029 | -0.005 | 20.701 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 96 | LYS | 1 | 0.978 | 0.982 | 20.013 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 97 | THR | 0 | 0.035 | -0.010 | 25.009 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 98 | GLU | -1 | -0.893 | -0.952 | 22.156 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 99 | HIS | 0 | 0.030 | 0.006 | 20.275 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 100 | ALA | 0 | 0.016 | -0.002 | 25.380 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 101 | GLU | -1 | -0.895 | -0.964 | 28.902 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 102 | ILE | 0 | -0.044 | -0.015 | 27.840 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 103 | PHE | 0 | 0.023 | 0.012 | 32.419 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 104 | LYS | 1 | 0.881 | 0.929 | 31.676 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 105 | ASP | -1 | -0.867 | -0.924 | 36.333 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 106 | HIS | 0 | 0.007 | 0.006 | 37.842 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 107 | ASN | 0 | -0.011 | 0.004 | 37.151 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 108 | THR | 0 | -0.070 | -0.027 | 36.287 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 109 | ILE | 0 | -0.023 | 0.001 | 30.274 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 110 | PHE | 0 | 0.019 | -0.001 | 33.313 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 111 | PHE | 0 | 0.021 | 0.018 | 25.940 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 112 | HIS | 0 | 0.031 | 0.017 | 27.906 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 113 | LYS | 1 | 0.985 | 0.985 | 29.455 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 114 | HIS | 0 | -0.045 | -0.016 | 27.064 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 115 | LYS | 1 | 0.862 | 0.954 | 22.507 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 116 | LEU | 0 | -0.035 | -0.011 | 25.281 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 117 | PRO | 0 | 0.009 | 0.017 | 27.555 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 118 | GLY | 0 | 0.050 | 0.017 | 29.975 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 119 | VAL | 0 | -0.024 | -0.010 | 30.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 120 | ASN | 0 | 0.017 | 0.000 | 28.028 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 121 | SER | 0 | -0.068 | -0.017 | 26.107 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 122 | GLU | -1 | -0.834 | -0.941 | 20.188 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 123 | LEU | 0 | -0.024 | -0.004 | 19.838 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 124 | THR | 0 | -0.010 | -0.017 | 14.837 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 125 | PHE | 0 | -0.035 | -0.021 | 15.401 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 126 | ILE | 0 | 0.009 | 0.018 | 9.645 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 127 | PRO | 0 | 0.013 | -0.012 | 8.189 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 128 | THR | 0 | -0.076 | -0.034 | 10.767 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 129 | GLY | 0 | 0.050 | 0.035 | 8.607 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 130 | THR | 0 | -0.056 | -0.046 | 7.662 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 131 | PRO | 0 | -0.017 | -0.002 | 7.730 | 0.620 | 0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 132 | VAL | 0 | 0.024 | 0.024 | 6.078 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 133 | ILE | 0 | -0.001 | 0.005 | 8.234 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 134 | VAL | 0 | -0.009 | 0.004 | 8.109 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 225 | CYM | -1 | -0.838 | -0.914 | 60.688 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 226 | TYR | 0 | -0.052 | -0.038 | 55.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 227 | ILE | 0 | -0.047 | -0.024 | 55.289 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 228 | SER | 0 | -0.002 | 0.009 | 55.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 298 | ASP | -1 | -0.842 | -0.950 | 41.577 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 299 | TYR | 0 | 0.017 | 0.006 | 37.124 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 300 | LEU | 0 | -0.012 | 0.009 | 38.593 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 301 | LEU | 0 | 0.009 | 0.023 | 36.980 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 302 | SER | 0 | -0.083 | -0.047 | 35.125 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 303 | ALA | 0 | 0.033 | 0.006 | 30.070 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 304 | ASN | 0 | -0.047 | -0.040 | 32.054 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 305 | GLY | 0 | 0.018 | 0.013 | 33.800 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 306 | SER | 0 | 0.047 | 0.020 | 32.802 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 307 | LYS | 1 | 0.926 | 0.963 | 28.138 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 308 | ALA | 0 | -0.024 | -0.003 | 32.596 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 309 | ILE | 0 | 0.002 | 0.000 | 35.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 310 | ASP | -1 | -0.882 | -0.941 | 31.986 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 311 | PHE | 0 | -0.048 | -0.013 | 33.470 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 312 | VAL | 0 | -0.001 | -0.005 | 35.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 313 | TRP | 0 | 0.046 | 0.022 | 36.140 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 314 | SER | 0 | -0.037 | -0.023 | 34.411 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 315 | ASN | 0 | -0.025 | -0.021 | 34.236 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 316 | PHE | 0 | -0.031 | -0.012 | 37.647 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 317 | LEU | 0 | -0.021 | -0.013 | 41.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 318 | LYS | 1 | 0.946 | 1.000 | 35.981 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 319 | HIS | 0 | -0.043 | -0.012 | 38.236 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 320 | PRO | 0 | 0.020 | -0.005 | 43.254 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 321 | TYR | 0 | -0.016 | 0.008 | 46.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 322 | ASN | 0 | 0.023 | 0.006 | 49.021 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 323 | PRO | 0 | -0.016 | -0.016 | 49.464 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 324 | LYS | 1 | 0.926 | 0.961 | 51.807 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 325 | LEU | 0 | 0.010 | 0.003 | 52.339 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 326 | LYS | 1 | 0.920 | 0.972 | 54.122 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 327 | GLN | 0 | 0.028 | 0.012 | 56.707 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 328 | PRO | 0 | 0.044 | 0.030 | 59.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 329 | ASP | -1 | -0.814 | -0.873 | 60.563 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 330 | ALA | 0 | 0.037 | -0.010 | 62.146 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 331 | ASN | 0 | 0.015 | 0.008 | 64.519 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 332 | VAL | 0 | 0.002 | -0.011 | 62.463 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 333 | LYS | 1 | 0.806 | 0.906 | 63.380 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 334 | ALA | 0 | 0.059 | 0.042 | 67.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 335 | ALA | 0 | -0.026 | -0.013 | 68.739 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 336 | TRP | 0 | -0.037 | -0.035 | 63.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 337 | GLU | -1 | -0.918 | -0.969 | 69.521 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 338 | LYS | 1 | 0.900 | 0.966 | 72.193 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 339 | HIS | 1 | 0.788 | 0.910 | 72.007 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 340 | ALA | 0 | 0.037 | 0.014 | 73.596 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 341 | ASP | -1 | -0.894 | -0.949 | 74.836 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 342 | TRP | 0 | -0.098 | -0.053 | 68.522 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 343 | GLU | -1 | -0.852 | -0.921 | 67.525 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 344 | HIS | 0 | 0.066 | 0.026 | 67.260 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 345 | TRP | 0 | -0.001 | -0.014 | 63.492 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 346 | SER | 0 | -0.008 | -0.018 | 63.103 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 347 | ASN | 0 | 0.040 | 0.032 | 62.223 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 348 | MET | 0 | -0.146 | -0.056 | 57.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 349 | GLY | 0 | 0.008 | -0.014 | 57.558 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 350 | GLN | 0 | -0.031 | 0.011 | 58.213 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 351 | ASP | -1 | -0.892 | -0.955 | 55.884 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 352 | TRP | 0 | 0.006 | 0.003 | 51.915 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 353 | SER | 0 | -0.034 | -0.040 | 51.311 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 354 | LEU | 0 | -0.007 | 0.005 | 51.638 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 355 | ASN | 0 | 0.001 | 0.003 | 51.414 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 356 | THR | 0 | -0.012 | -0.020 | 49.187 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 357 | PRO | 0 | -0.001 | -0.016 | 50.104 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 358 | SER | 0 | -0.013 | 0.003 | 45.194 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 359 | GLY | 0 | 0.043 | 0.031 | 45.174 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 360 | LEU | 0 | -0.058 | -0.005 | 46.960 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 361 | VAL | 0 | 0.018 | 0.007 | 46.988 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 362 | PRO | 0 | 0.000 | 0.007 | 45.040 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 363 | ARG | 1 | 0.882 | 0.938 | 46.162 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 364 | PRO | 0 | 0.000 | 0.018 | 50.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 365 | ASN | 0 | 0.030 | 0.009 | 51.590 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 366 | HIS | 1 | 0.736 | 0.845 | 50.189 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 367 | GLY | 0 | 0.127 | 0.073 | 46.932 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 368 | ILE | 0 | 0.020 | 0.007 | 41.005 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 369 | ALA | 0 | 0.080 | 0.035 | 44.675 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 370 | HIS | 0 | -0.046 | -0.046 | 47.230 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 371 | THR | 0 | -0.014 | -0.009 | 43.742 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 372 | LEU | 0 | 0.015 | -0.011 | 41.226 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 373 | ARG | 1 | 0.781 | 0.895 | 45.256 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 374 | VAL | 0 | 0.003 | 0.005 | 48.092 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 375 | ALA | 0 | 0.024 | 0.011 | 44.536 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 376 | GLN | 0 | -0.011 | -0.003 | 44.746 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 377 | LEU | 0 | 0.013 | 0.004 | 47.334 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 378 | VAL | 0 | -0.006 | 0.009 | 48.047 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 379 | PRO | 0 | -0.010 | -0.018 | 46.668 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 380 | VAL | 0 | 0.031 | 0.026 | 49.414 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 381 | ILE | 0 | -0.003 | -0.006 | 52.349 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 382 | ALA | 0 | -0.001 | -0.004 | 51.736 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 383 | GLU | -1 | -0.848 | -0.929 | 51.574 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 384 | PHE | 0 | 0.010 | -0.007 | 54.776 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 385 | LEU | 0 | -0.016 | -0.005 | 55.936 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 386 | LYS | 1 | 0.811 | 0.943 | 51.368 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 387 | ALA | 0 | -0.019 | 0.002 | 58.076 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 388 | TYR | 0 | -0.036 | -0.030 | 60.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 389 | SER | 0 | -0.027 | -0.025 | 60.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 390 | GLY | 0 | 0.000 | 0.013 | 63.174 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 391 | ASP | -1 | -0.887 | -0.941 | 61.587 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 392 | PRO | 0 | 0.014 | -0.010 | 60.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 393 | LYS | 1 | 0.917 | 0.957 | 57.750 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 394 | PHE | 0 | 0.008 | -0.007 | 56.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 395 | GLN | 0 | 0.024 | 0.016 | 55.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 396 | LYS | 1 | 0.873 | 0.941 | 55.093 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 397 | LEU | 0 | -0.003 | 0.028 | 51.056 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 398 | THR | 0 | 0.006 | -0.014 | 47.746 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 399 | GLN | 0 | 0.050 | 0.012 | 42.621 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 400 | LYS | 1 | 0.947 | 0.960 | 39.072 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 401 | GLU | -1 | -0.866 | -0.925 | 44.186 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 402 | ILE | 0 | 0.041 | 0.026 | 46.871 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 403 | GLN | 0 | -0.013 | -0.011 | 40.441 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 404 | LYS | 1 | 0.925 | 0.979 | 42.166 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 405 | ALA | 0 | 0.025 | 0.016 | 43.704 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 406 | GLN | 0 | -0.038 | -0.036 | 43.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 407 | TYR | 0 | -0.027 | -0.021 | 36.442 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 408 | MET | 0 | -0.007 | -0.006 | 42.013 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 409 | MET | 0 | -0.004 | 0.016 | 44.105 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 410 | LEU | 0 | -0.008 | 0.006 | 39.440 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 411 | PHE | 0 | -0.010 | -0.016 | 37.786 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 412 | SER | 0 | -0.006 | 0.004 | 43.638 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 413 | VAL | 0 | 0.017 | 0.000 | 46.721 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 414 | ILE | 0 | -0.024 | -0.005 | 41.657 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 415 | GLY | 0 | 0.008 | 0.013 | 44.922 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 416 | ARG | 1 | 0.782 | 0.906 | 46.853 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 417 | GLU | -1 | -0.852 | -0.923 | 48.294 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 418 | ASN | 0 | -0.006 | -0.046 | 50.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 419 | ASP | -1 | -0.742 | -0.858 | 53.334 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 420 | MET | 0 | 0.034 | 0.074 | 55.500 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 421 | SER | 0 | 0.022 | 0.008 | 57.518 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 422 | TRP | 0 | 0.056 | 0.017 | 57.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 423 | THR | 0 | 0.008 | -0.014 | 60.566 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 424 | ASP | -1 | -0.784 | -0.887 | 61.278 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 425 | ALA | 0 | -0.016 | -0.008 | 58.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 426 | ASN | 0 | 0.002 | 0.005 | 60.754 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 427 | HIS | 1 | 0.865 | 0.947 | 63.674 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 428 | TYR | 0 | 0.091 | 0.039 | 58.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 429 | GLN | 0 | -0.048 | -0.029 | 60.615 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 430 | GLN | 0 | -0.082 | -0.047 | 63.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 431 | ALA | 0 | 0.038 | 0.012 | 65.750 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 432 | PHE | 0 | 0.015 | -0.003 | 59.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 433 | LYS | 1 | 0.927 | 0.982 | 64.466 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 434 | GLU | -1 | -0.905 | -0.950 | 66.579 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 435 | ALA | 0 | 0.002 | 0.004 | 66.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 436 | TYR | 0 | -0.072 | -0.043 | 62.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 437 | ASN | 0 | -0.019 | -0.013 | 66.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 438 | GLY | 0 | 0.013 | 0.008 | 67.920 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 439 | GLN | 0 | -0.026 | 0.001 | 59.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 440 | TYR | 0 | 0.006 | -0.010 | 57.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 441 | SER | 0 | 0.005 | 0.008 | 58.592 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 442 | LYS | 1 | 0.903 | 0.962 | 50.760 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 443 | HIS | 0 | 0.048 | 0.018 | 57.137 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 444 | ILE | 0 | 0.079 | 0.025 | 54.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 445 | TYR | 0 | 0.020 | -0.007 | 53.655 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 446 | ALA | 0 | -0.011 | 0.003 | 53.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 447 | THR | 0 | -0.015 | -0.014 | 49.865 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 448 | PHE | 0 | 0.007 | 0.009 | 49.153 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 449 | LYS | 1 | 0.978 | 1.004 | 48.261 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 450 | GLU | -1 | -0.868 | -0.933 | 46.332 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 451 | ASN | 0 | -0.064 | -0.042 | 44.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 452 | ALA | 0 | 0.029 | 0.003 | 43.364 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 453 | GLN | 0 | -0.032 | -0.019 | 42.888 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 454 | LYS | 1 | 0.916 | 0.967 | 40.864 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 455 | GLY | 0 | 0.013 | 0.007 | 38.839 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 456 | PHE | 0 | 0.018 | -0.001 | 37.941 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 457 | LEU | 0 | 0.018 | -0.004 | 37.934 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 458 | ASN | 0 | -0.001 | 0.010 | 33.667 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 459 | HIS | 0 | 0.035 | 0.031 | 32.651 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 460 | VAL | 0 | 0.020 | 0.016 | 33.292 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 461 | VAL | 0 | -0.070 | -0.055 | 32.396 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 462 | THR | 0 | -0.023 | -0.008 | 28.263 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 463 | ASN | 0 | -0.026 | -0.021 | 28.594 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 464 | LYS | 1 | 1.018 | 1.017 | 30.406 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 465 | SER | 0 | -0.018 | -0.015 | 27.292 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 466 | SER | 0 | 0.043 | 0.022 | 28.231 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 467 | LEU | 0 | -0.005 | 0.010 | 30.601 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 468 | ILE | 0 | -0.004 | 0.069 | 33.635 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 469 | PRO | 0 | -0.008 | -0.030 | 33.122 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 470 | SER | 0 | -0.083 | -0.053 | 33.577 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 471 | LEU | 0 | -0.064 | -0.030 | 36.029 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 472 | PHE | 0 | -0.024 | -0.037 | 37.954 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 473 | SER | 0 | -0.018 | -0.021 | 38.624 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 474 | ASP | -1 | -0.816 | -0.924 | 38.795 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 475 | GLU | -1 | -0.894 | -0.970 | 36.000 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 476 | SER | 0 | 0.002 | 0.012 | 39.640 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 477 | GLU | -1 | -0.867 | -0.922 | 42.406 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 478 | LEU | 0 | -0.031 | -0.034 | 37.018 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 479 | GLN | 0 | -0.055 | -0.030 | 41.648 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 480 | TYR | 0 | 0.019 | 0.011 | 43.893 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 481 | TRP | 0 | 0.009 | -0.025 | 43.781 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 482 | ALA | 0 | -0.009 | 0.004 | 42.616 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 483 | GLU | -1 | -0.907 | -0.935 | 44.540 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 484 | ALA | 0 | -0.044 | -0.018 | 48.054 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 485 | LEU | 0 | -0.059 | -0.019 | 43.997 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 486 | ASP | -1 | -0.823 | -0.914 | 47.977 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 487 | THR | 0 | -0.059 | -0.041 | 49.711 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 488 | GLY | 0 | -0.027 | -0.018 | 50.700 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 489 | LYS | 1 | 0.799 | 0.888 | 52.049 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 490 | PRO | 0 | 0.026 | 0.020 | 50.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 491 | GLY | 0 | 0.021 | 0.017 | 52.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 492 | ILE | 0 | -0.036 | -0.033 | 50.875 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 493 | SER | 0 | -0.006 | 0.014 | 55.384 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 494 | SER | 0 | 0.020 | 0.007 | 53.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 495 | ALA | 0 | 0.034 | 0.014 | 54.296 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 496 | SER | 0 | 0.055 | 0.015 | 50.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 497 | GLY | 0 | 0.038 | 0.019 | 52.170 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 498 | ILE | 0 | -0.002 | -0.004 | 53.807 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 499 | LEU | 0 | -0.018 | 0.006 | 50.828 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 500 | MET | 0 | -0.024 | -0.014 | 47.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 501 | ALA | 0 | -0.007 | -0.004 | 52.086 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 502 | LEU | 0 | 0.036 | 0.011 | 55.311 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 503 | ALA | 0 | -0.012 | 0.000 | 51.714 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 504 | HIS | 0 | 0.005 | 0.003 | 52.822 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 505 | ASP | -1 | -0.773 | -0.893 | 54.367 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 506 | LEU | 0 | 0.036 | 0.005 | 56.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 507 | ASP | -1 | -0.712 | -0.827 | 53.051 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 508 | LEU | 0 | -0.035 | -0.009 | 55.769 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 509 | MET | 0 | -0.058 | 0.005 | 58.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 510 | ARG | 1 | 0.880 | 0.934 | 53.966 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 511 | CYS | 0 | -0.033 | -0.023 | 58.400 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 512 | TYR | 0 | -0.062 | -0.034 | 60.349 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 513 | ASP | -1 | -0.770 | -0.885 | 63.432 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 514 | LYS | 1 | 0.904 | 0.949 | 66.553 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 515 | GLY | 0 | 0.011 | 0.023 | 67.981 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 516 | LYS | 1 | 0.965 | 1.005 | 64.955 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 517 | PHE | 0 | -0.003 | -0.011 | 60.592 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 518 | ASN | 0 | -0.014 | -0.011 | 65.595 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 519 | SER | 0 | -0.042 | -0.047 | 67.938 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 520 | LEU | 0 | -0.006 | -0.012 | 65.605 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 521 | LYS | 1 | 0.846 | 0.945 | 61.026 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 522 | MET | 0 | -0.014 | 0.008 | 63.703 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 523 | LYS | 1 | 0.958 | 0.979 | 65.540 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 524 | ASP | -1 | -0.889 | -0.932 | 63.182 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 525 | LEU | 0 | 0.016 | -0.003 | 60.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 526 | VAL | 0 | 0.023 | 0.003 | 63.676 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 527 | ALA | 0 | -0.018 | 0.007 | 66.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 528 | ARG | 1 | 0.867 | 0.937 | 61.148 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 529 | LEU | 0 | -0.056 | -0.024 | 60.490 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 530 | GLY | 0 | 0.067 | 0.032 | 64.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 531 | GLY | 0 | -0.033 | -0.016 | 67.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 532 | ASN | 0 | -0.003 | 0.001 | 66.169 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 533 | GLU | -1 | -0.894 | -0.966 | 66.629 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 534 | ASP | -1 | -0.900 | -0.940 | 67.027 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 535 | ALA | 0 | -0.072 | -0.033 | 62.804 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 536 | ALA | 0 | 0.043 | 0.007 | 62.182 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 537 | LYS | 1 | 0.914 | 0.967 | 62.522 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 538 | LYS | 1 | 0.950 | 0.984 | 59.756 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 539 | LEU | 0 | -0.013 | 0.002 | 56.053 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 540 | ALA | 0 | 0.013 | -0.011 | 57.942 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 541 | ASP | -1 | -0.842 | -0.935 | 59.492 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 542 | TYR | 0 | 0.048 | 0.035 | 50.025 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 543 | ALA | 0 | 0.010 | -0.004 | 54.689 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 544 | HIS | 1 | 0.858 | 0.915 | 55.423 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 545 | ASP | -1 | -0.898 | -0.954 | 55.153 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 546 | LEU | 0 | -0.040 | -0.020 | 49.958 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 547 | ILE | 0 | 0.000 | -0.010 | 51.772 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 548 | VAL | 0 | -0.020 | -0.005 | 53.818 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 549 | ALA | 0 | -0.011 | 0.004 | 50.517 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 550 | THR | 0 | -0.022 | -0.023 | 48.039 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 551 | GLY | 0 | -0.013 | -0.021 | 50.324 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 552 | ASP | -1 | -0.809 | -0.894 | 52.653 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 553 | ARG | 1 | 0.873 | 0.955 | 54.274 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 554 | CYS | 0 | -0.053 | -0.033 | 57.645 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 555 | MET | 0 | 0.012 | 0.015 | 60.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 556 | GLY | 0 | -0.002 | -0.003 | 62.591 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 557 | TYR | 0 | -0.046 | -0.063 | 61.992 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 558 | GLY | 0 | 0.018 | 0.014 | 63.349 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 559 | VAL | 0 | 0.030 | 0.007 | 63.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 560 | THR | 0 | -0.004 | 0.016 | 62.720 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 561 | GLN | 0 | -0.043 | -0.025 | 56.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 562 | ASP | -1 | -0.817 | -0.915 | 60.836 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 563 | TYR | 0 | -0.001 | -0.013 | 54.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 564 | ASN | 0 | -0.004 | 0.013 | 54.542 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 565 | TYR | 0 | 0.059 | 0.010 | 53.485 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 566 | SER | 0 | 0.007 | -0.010 | 51.223 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 567 | LEU | 0 | -0.034 | -0.001 | 48.995 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 568 | PHE | 0 | 0.022 | 0.009 | 48.944 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 569 | GLY | 0 | 0.008 | 0.002 | 48.237 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 570 | LYS | 1 | 0.926 | 0.958 | 45.181 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 571 | CYS | 0 | -0.014 | 0.021 | 44.069 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 572 | SER | 0 | -0.035 | -0.032 | 44.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 573 | LEU | 0 | -0.058 | -0.030 | 42.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 574 | ASP | -1 | -0.842 | -0.925 | 38.511 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 575 | PRO | 0 | 0.029 | 0.016 | 38.135 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 576 | ASN | 0 | -0.011 | 0.002 | 36.165 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 577 | GLU | -1 | -0.916 | -0.949 | 38.611 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 578 | CYS | 0 | -0.039 | -0.030 | 41.670 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 579 | LEU | 0 | -0.030 | -0.011 | 38.664 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 580 | LYS | 1 | 0.933 | 0.959 | 37.613 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 581 | GLN | 0 | 0.016 | 0.015 | 42.974 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 582 | LEU | 0 | -0.023 | 0.004 | 45.166 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 583 | GLN | 0 | -0.034 | -0.022 | 40.891 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 584 | SER | 0 | -0.086 | -0.040 | 45.933 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 585 | ILE | 0 | -0.001 | 0.009 | 48.335 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 586 | PRO | 0 | -0.013 | -0.011 | 50.573 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 587 | LYS | 1 | 0.931 | 0.970 | 46.742 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 588 | PRO | 0 | -0.015 | 0.004 | 52.826 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 589 | GLU | -1 | -0.854 | -0.902 | 55.648 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 590 | THR | 0 | -0.104 | -0.074 | 57.118 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |