FMODB ID: JL4V9
Calculation Name: 5MZ4-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5MZ4
Chain ID: B
UniProt ID: P19712
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 | OptAll |
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 | 682 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15212720.939047 |
---|---|
FMO2-HF: Nuclear repulsion | 14941476.905665 |
FMO2-HF: Total energy | -271244.033382 |
FMO2-MP2: Total energy | -272020.790604 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(B:-4:LEU)
Summations of interaction energy for
fragment #1(B:-4:LEU)
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. |
-7.951 | -2.098 | 5.043 | -3.577 | -7.318 | -0.01 |
Interaction energy analysis for fragmet #1(B:-4:LEU)
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 | -2 | PHE | 0 | -0.019 | -0.009 | 3.771 | -0.668 | 1.579 | -0.004 | -1.290 | -0.954 | 0.004 |
4 | B | -1 | GLN | 0 | 0.012 | 0.000 | 2.756 | -0.313 | 0.702 | 0.137 | -0.305 | -0.847 | -0.002 |
5 | B | 0 | GLY | 0 | 0.052 | 0.037 | 7.119 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 1 | SER | 0 | 0.002 | -0.008 | 9.365 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 2 | LYS | 1 | 0.971 | 0.974 | 11.797 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 3 | ARG | 1 | 0.899 | 0.948 | 4.278 | -1.005 | -0.877 | -0.001 | -0.006 | -0.120 | 0.000 |
9 | B | 4 | HIS | 0 | -0.075 | -0.028 | 8.728 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 5 | ILE | 0 | 0.021 | 0.009 | 9.451 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 6 | PRO | 0 | -0.039 | -0.008 | 11.917 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 7 | VAL | 0 | -0.020 | -0.019 | 13.393 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 8 | VAL | 0 | 0.013 | 0.011 | 16.617 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 9 | THR | 0 | -0.093 | -0.075 | 17.859 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 10 | ASP | -1 | -0.773 | -0.861 | 20.425 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 11 | ILE | 0 | -0.005 | -0.003 | 24.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 12 | TYR | 0 | -0.039 | -0.051 | 27.224 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 13 | SER | 0 | 0.015 | -0.018 | 30.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 14 | VAL | 0 | -0.050 | -0.031 | 33.536 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 15 | GLU | -1 | -0.893 | -0.940 | 36.341 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 16 | ASP | -1 | -0.831 | -0.913 | 40.058 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 17 | HIS | 0 | 0.031 | 0.016 | 42.751 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 18 | ARG | 1 | 0.947 | 0.967 | 44.799 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 19 | LEU | 0 | -0.033 | -0.011 | 45.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 20 | GLU | -1 | -0.850 | -0.932 | 48.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 21 | ASP | -1 | -0.823 | -0.873 | 49.667 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 22 | THR | 0 | 0.002 | -0.009 | 44.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 23 | THR | 0 | -0.024 | -0.038 | 44.711 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 24 | HIS | 0 | 0.012 | 0.004 | 45.012 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 25 | LEU | 0 | 0.020 | 0.004 | 41.074 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 26 | GLN | 0 | -0.008 | -0.005 | 39.934 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 27 | TYR | 0 | -0.046 | -0.045 | 32.036 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 28 | ALA | 0 | 0.050 | 0.022 | 37.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 29 | PRO | 0 | -0.079 | -0.025 | 38.077 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 38 | GLY | 0 | 0.044 | 0.012 | 52.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 39 | SER | 0 | -0.040 | -0.005 | 53.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 40 | GLY | 0 | 0.029 | -0.003 | 52.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 41 | SER | 0 | 0.018 | -0.022 | 51.728 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 42 | GLY | 0 | 0.031 | 0.028 | 48.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 43 | PRO | 0 | -0.036 | -0.005 | 47.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 44 | ALA | 0 | -0.014 | -0.006 | 44.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 45 | VAL | 0 | -0.014 | -0.001 | 44.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 46 | CYS | 0 | -0.022 | 0.023 | 41.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 47 | LYS | 1 | 0.794 | 0.886 | 37.694 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 48 | LYS | 1 | 0.876 | 0.935 | 39.273 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 49 | VAL | 0 | 0.003 | -0.004 | 33.758 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 50 | THR | 0 | -0.043 | -0.023 | 36.136 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 51 | GLU | -1 | -0.869 | -0.912 | 32.466 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 52 | HIS | 0 | -0.074 | -0.072 | 26.445 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 53 | GLU | -1 | -0.772 | -0.855 | 26.436 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 54 | ARG | 1 | 0.891 | 0.946 | 24.076 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 55 | CYS | 0 | -0.008 | 0.010 | 20.694 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 56 | THR | 0 | 0.029 | 0.027 | 20.596 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 57 | THR | 0 | -0.067 | -0.050 | 15.766 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 58 | SER | 0 | 0.021 | -0.014 | 14.486 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 59 | ILE | 0 | 0.066 | 0.016 | 10.775 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 60 | MET | 0 | 0.070 | 0.038 | 8.511 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 61 | ASP | -1 | -0.818 | -0.835 | 9.713 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 62 | LYS | 1 | 0.917 | 0.948 | 10.843 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 63 | LEU | 0 | 0.028 | 0.017 | 6.023 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 64 | THR | 0 | -0.047 | -0.039 | 5.951 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 65 | ALA | 0 | 0.053 | 0.021 | 7.167 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 66 | PHE | 0 | -0.014 | 0.003 | 5.278 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 67 | PHE | 0 | 0.035 | 0.021 | 2.593 | -4.773 | -2.695 | 4.913 | -1.916 | -5.075 | -0.012 |
65 | B | 68 | GLY | 0 | 0.007 | 0.016 | 4.104 | 0.307 | 0.518 | 0.000 | -0.046 | -0.165 | 0.000 |
66 | B | 69 | VAL | 0 | -0.053 | -0.030 | 4.650 | -0.046 | 0.064 | -0.001 | -0.005 | -0.104 | 0.000 |
67 | B | 70 | MET | 0 | 0.022 | 0.021 | 7.451 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 71 | PRO | 0 | -0.004 | -0.002 | 11.043 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 72 | ARG | 1 | 0.983 | 0.989 | 9.307 | -0.964 | -0.964 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 73 | GLY | 0 | 0.033 | 0.007 | 14.185 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 74 | THR | 0 | -0.060 | -0.018 | 16.206 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 75 | THR | 0 | 0.049 | 0.040 | 18.724 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 76 | PRO | 0 | 0.010 | 0.006 | 21.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 77 | ARG | 1 | 0.779 | 0.864 | 23.002 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 78 | ALA | 0 | 0.007 | 0.003 | 25.607 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 79 | PRO | 0 | 0.039 | 0.008 | 26.342 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 80 | VAL | 0 | 0.039 | 0.024 | 28.168 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 81 | ARG | 1 | 0.889 | 0.961 | 29.297 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 82 | PHE | 0 | 0.027 | -0.008 | 24.768 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 83 | PRO | 0 | 0.084 | 0.063 | 30.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 84 | THR | 0 | 0.027 | 0.019 | 32.784 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 85 | SER | 0 | -0.031 | -0.023 | 30.549 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 86 | LEU | 0 | -0.011 | -0.001 | 29.564 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 87 | LEU | 0 | 0.005 | -0.001 | 24.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 88 | LYS | 1 | 0.854 | 0.913 | 21.946 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 89 | ILE | 0 | -0.008 | -0.013 | 18.750 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 90 | ARG | 1 | 0.878 | 0.935 | 14.887 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 91 | ARG | 1 | 0.843 | 0.928 | 13.562 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 92 | GLY | 0 | 0.033 | 0.019 | 11.306 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 93 | LEU | 0 | 0.023 | 0.001 | 11.932 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 94 | GLU | -1 | -0.791 | -0.875 | 14.393 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 95 | THR | 0 | -0.083 | -0.062 | 17.276 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 96 | GLY | 0 | 0.010 | 0.011 | 20.072 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 97 | TRP | 0 | -0.054 | -0.016 | 23.020 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 98 | ALA | 0 | 0.030 | 0.024 | 24.168 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 99 | TYR | 0 | -0.025 | -0.031 | 26.026 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 100 | THR | 0 | 0.049 | 0.036 | 29.283 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 101 | HIS | 1 | 0.783 | 0.865 | 31.209 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 102 | GLN | 0 | 0.038 | 0.027 | 33.902 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 103 | GLY | 0 | 0.017 | 0.017 | 34.105 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 104 | GLY | 0 | -0.012 | 0.003 | 30.225 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 105 | ILE | 0 | -0.019 | -0.008 | 25.279 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 106 | SER | 0 | -0.074 | -0.063 | 27.563 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 107 | SER | 0 | 0.059 | 0.018 | 22.770 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 108 | VAL | 0 | 0.008 | 0.027 | 24.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 109 | ASP | -1 | -0.825 | -0.895 | 20.713 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 110 | HIS | 0 | -0.017 | -0.020 | 20.136 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 111 | VAL | 0 | -0.002 | 0.010 | 19.130 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 112 | THR | 0 | -0.058 | -0.052 | 17.780 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 113 | CYS | 0 | -0.050 | -0.031 | 15.403 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 114 | GLY | 0 | 0.059 | 0.032 | 16.412 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 115 | LYS | 1 | 0.844 | 0.930 | 11.836 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 116 | ASP | -1 | -0.761 | -0.877 | 16.332 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 117 | LEU | 0 | -0.003 | 0.011 | 16.278 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 118 | LEU | 0 | 0.000 | -0.005 | 13.638 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 119 | VAL | 0 | -0.001 | -0.007 | 17.103 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 120 | CYS | 0 | -0.052 | -0.010 | 17.269 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 121 | ASP | -1 | -0.687 | -0.825 | 20.642 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 122 | THR | 0 | -0.016 | -0.033 | 24.313 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 123 | MET | 0 | -0.073 | -0.027 | 26.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 124 | GLY | 0 | 0.017 | 0.018 | 23.596 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 125 | ARG | 1 | 0.800 | 0.851 | 15.104 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 126 | THR | 0 | -0.030 | -0.013 | 20.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 127 | ARG | 1 | 0.867 | 0.889 | 16.191 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 128 | VAL | 0 | -0.014 | 0.004 | 20.276 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 129 | VAL | 0 | 0.001 | 0.000 | 20.724 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 130 | CYS | 0 | -0.046 | -0.013 | 19.924 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 131 | GLN | 0 | -0.029 | -0.009 | 21.812 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 132 | SER | 0 | -0.009 | -0.009 | 24.979 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 133 | ASN | 0 | -0.007 | -0.037 | 21.067 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 134 | ASN | 0 | 0.014 | 0.011 | 24.123 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 135 | LYS | 1 | 0.958 | 0.983 | 20.872 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 136 | MET | 0 | 0.000 | 0.027 | 24.999 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 137 | THR | 0 | -0.054 | -0.026 | 28.111 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 138 | ASP | -1 | -0.758 | -0.902 | 24.836 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 139 | GLU | -1 | -0.836 | -0.887 | 26.254 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 140 | SER | 0 | -0.008 | -0.019 | 22.113 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 141 | GLU | -1 | -0.778 | -0.845 | 24.721 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 142 | TYR | 0 | -0.006 | -0.007 | 20.312 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 143 | GLY | 0 | 0.072 | 0.026 | 25.760 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 144 | VAL | 0 | -0.048 | -0.018 | 29.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 145 | LYS | 1 | 0.876 | 0.932 | 31.768 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 146 | THR | 0 | 0.008 | -0.011 | 32.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 147 | ASP | -1 | -0.843 | -0.889 | 33.376 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 148 | SER | 0 | -0.056 | -0.026 | 36.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 149 | GLY | 0 | 0.029 | 0.007 | 40.336 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 150 | CYS | 0 | -0.024 | -0.015 | 42.765 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 151 | PRO | 0 | 0.012 | 0.011 | 44.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 152 | GLU | -1 | -0.775 | -0.877 | 45.381 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 153 | GLY | 0 | -0.002 | 0.006 | 47.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 154 | ALA | 0 | 0.014 | 0.019 | 45.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 155 | ARG | 1 | 0.936 | 0.952 | 45.642 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 156 | CYS | 0 | -0.039 | -0.020 | 41.042 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 157 | TYR | 0 | -0.039 | -0.041 | 38.745 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 158 | VAL | 0 | 0.028 | 0.030 | 33.287 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 159 | PHE | 0 | 0.005 | -0.002 | 34.672 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 160 | ASN | 0 | 0.072 | 0.038 | 29.275 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 161 | PRO | 0 | 0.017 | 0.017 | 29.682 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 162 | GLU | -1 | -0.807 | -0.871 | 26.310 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 163 | ALA | 0 | -0.016 | 0.012 | 30.534 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 164 | VAL | 0 | 0.009 | 0.008 | 32.260 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 165 | ASN | 0 | -0.011 | 0.009 | 35.260 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 166 | ILE | 0 | 0.010 | -0.001 | 38.776 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 167 | SER | 0 | -0.075 | -0.044 | 41.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 168 | GLY | 0 | 0.025 | 0.019 | 39.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 169 | THR | 0 | -0.043 | -0.021 | 37.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 170 | LYS | 1 | 0.817 | 0.903 | 30.096 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 171 | GLY | 0 | 0.020 | 0.008 | 34.801 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 172 | ALA | 0 | -0.017 | 0.016 | 35.034 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 173 | MET | 0 | -0.043 | -0.021 | 35.785 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 174 | VAL | 0 | 0.003 | 0.015 | 35.642 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 175 | HIS | 0 | 0.015 | -0.011 | 38.284 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 176 | LEU | 0 | -0.005 | -0.015 | 37.234 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 177 | GLN | 0 | -0.038 | -0.021 | 41.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 178 | LYS | 1 | 0.861 | 0.935 | 41.652 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 179 | THR | 0 | -0.011 | -0.020 | 42.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 180 | GLY | 0 | 0.048 | 0.024 | 42.737 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 181 | GLY | 0 | -0.024 | -0.020 | 39.779 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 182 | GLU | -1 | -0.875 | -0.926 | 37.724 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 183 | PHE | 0 | 0.010 | -0.002 | 37.253 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 184 | THR | 0 | 0.014 | 0.004 | 39.402 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 185 | CYS | 0 | -0.028 | -0.005 | 38.498 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 186 | VAL | 0 | -0.026 | -0.010 | 41.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 187 | THR | 0 | 0.041 | 0.022 | 43.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 188 | ALA | 0 | 0.026 | 0.009 | 45.268 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 189 | SER | 0 | -0.028 | -0.017 | 46.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 190 | GLY | 0 | -0.022 | -0.008 | 48.040 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 191 | THR | 0 | -0.028 | -0.011 | 48.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 192 | PRO | 0 | 0.006 | -0.004 | 46.103 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 193 | ALA | 0 | 0.006 | 0.015 | 42.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 194 | PHE | 0 | 0.013 | -0.007 | 38.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 195 | PHE | 0 | 0.042 | 0.012 | 35.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 196 | ASP | -1 | -0.778 | -0.867 | 33.582 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 197 | LEU | 0 | 0.019 | 0.008 | 30.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 198 | LYS | 1 | 0.855 | 0.907 | 28.459 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 199 | ASN | 0 | 0.015 | 0.012 | 28.780 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 200 | LEU | 0 | 0.027 | 0.020 | 30.431 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 201 | LYS | 1 | 0.880 | 0.932 | 21.424 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 202 | GLY | 0 | 0.003 | 0.010 | 24.225 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 203 | TRP | 0 | -0.026 | -0.011 | 25.151 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 204 | ALA | 0 | 0.001 | 0.006 | 24.954 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 205 | GLY | 0 | 0.016 | -0.008 | 25.652 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 206 | LEU | 0 | -0.038 | -0.004 | 26.984 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | PRO | 0 | -0.028 | -0.004 | 30.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ILE | 0 | -0.010 | -0.005 | 33.301 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | PHE | 0 | 0.006 | -0.016 | 35.996 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | GLU | -1 | -0.736 | -0.846 | 39.525 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | ALA | 0 | -0.024 | -0.021 | 43.129 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | SER | 0 | 0.001 | -0.014 | 45.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | SER | 0 | -0.061 | -0.066 | 45.521 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | GLY | 0 | 0.038 | 0.038 | 42.741 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | ARG | 1 | 0.922 | 0.961 | 41.049 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | VAL | 0 | -0.008 | 0.002 | 34.742 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | VAL | 0 | -0.018 | -0.009 | 37.980 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | GLY | 0 | 0.002 | 0.003 | 35.181 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | ARG | 1 | 0.796 | 0.894 | 28.166 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | VAL | 0 | 0.012 | 0.015 | 29.758 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | LYS | 1 | 0.779 | 0.889 | 28.076 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | VAL | 0 | 0.068 | 0.030 | 27.893 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | GLY | 0 | -0.002 | 0.008 | 30.004 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | LYS | 1 | 0.860 | 0.923 | 32.539 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | ASN | 0 | 0.037 | 0.029 | 35.315 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | GLU | -1 | -0.866 | -0.954 | 37.899 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | ASP | -1 | -0.884 | -0.925 | 40.695 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | SER | 0 | 0.006 | -0.003 | 43.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | LYS | 1 | 0.845 | 0.930 | 42.745 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | PRO | 0 | 0.002 | -0.001 | 42.530 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | 0.005 | -0.002 | 36.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | LYS | 1 | 0.794 | 0.892 | 37.867 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | LEU | 0 | -0.037 | -0.019 | 33.358 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | MET | 0 | 0.006 | 0.009 | 32.731 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | SER | 0 | 0.002 | -0.014 | 32.777 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | GLY | 0 | 0.036 | 0.000 | 30.012 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ILE | 0 | 0.032 | 0.021 | 26.335 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | GLN | 0 | -0.003 | 0.013 | 29.718 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 247 | LEU | 0 | 0.058 | 0.024 | 48.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 248 | THR | 0 | 0.065 | 0.011 | 50.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 249 | GLU | -1 | -0.773 | -0.873 | 49.939 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 250 | MET | 0 | -0.021 | 0.007 | 44.102 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 251 | VAL | 0 | 0.064 | 0.026 | 48.393 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 252 | LYS | 1 | 0.913 | 0.968 | 50.989 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 253 | LYS | 1 | 0.857 | 0.932 | 46.255 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 254 | ILE | 0 | 0.002 | 0.013 | 44.721 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 255 | THR | 0 | -0.008 | -0.041 | 47.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 256 | THR | 0 | -0.061 | -0.048 | 50.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 257 | MET | 0 | -0.082 | 0.012 | 43.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 258 | ASN | 0 | -0.004 | -0.005 | 47.383 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 259 | ARG | 1 | 0.783 | 0.863 | 46.469 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 260 | GLY | 0 | 0.041 | 0.025 | 42.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 261 | GLU | -1 | -0.803 | -0.853 | 42.036 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 262 | PHE | 0 | 0.060 | 0.010 | 35.694 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 263 | ARG | 1 | 0.762 | 0.856 | 40.298 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 264 | GLN | 0 | 0.079 | 0.048 | 35.234 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 265 | ILE | 0 | -0.038 | -0.021 | 38.605 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 266 | THR | 0 | 0.040 | 0.017 | 36.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 267 | LEU | 0 | -0.024 | -0.023 | 39.470 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 268 | ALA | 0 | 0.048 | 0.033 | 41.518 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 269 | THR | 0 | 0.042 | 0.007 | 40.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 270 | GLY | 0 | -0.009 | 0.000 | 43.518 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 271 | ALA | 0 | -0.025 | -0.014 | 45.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 272 | GLY | 0 | 0.006 | 0.004 | 47.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 273 | LYS | 1 | 0.778 | 0.861 | 39.863 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 274 | THR | 0 | 0.008 | -0.018 | 43.097 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 275 | THR | 0 | 0.010 | -0.002 | 45.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 276 | GLU | -1 | -0.701 | -0.837 | 49.266 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 277 | LEU | 0 | -0.003 | 0.034 | 45.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 278 | PRO | 0 | 0.025 | 0.009 | 46.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 279 | ARG | 1 | 0.816 | 0.906 | 49.562 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 280 | SER | 0 | -0.026 | -0.042 | 52.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 281 | VAL | 0 | -0.016 | -0.005 | 49.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 282 | ILE | 0 | 0.002 | -0.005 | 52.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 283 | GLU | -1 | -0.853 | -0.906 | 54.530 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 284 | GLU | -1 | -0.976 | -0.966 | 55.492 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 285 | ILE | 0 | -0.018 | -0.004 | 52.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 286 | GLY | 0 | 0.015 | 0.018 | 56.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 287 | ARG | 1 | 0.820 | 0.855 | 57.788 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 288 | HIS | 0 | -0.014 | 0.007 | 58.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 289 | LYS | 1 | 0.837 | 0.918 | 54.595 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 290 | ARG | 1 | 0.907 | 0.951 | 50.373 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 291 | VAL | 0 | -0.030 | -0.009 | 48.447 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 292 | LEU | 0 | -0.019 | 0.005 | 43.873 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 293 | VAL | 0 | -0.016 | -0.015 | 43.774 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 294 | LEU | 0 | -0.005 | 0.012 | 39.070 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 295 | ILE | 0 | 0.018 | 0.000 | 39.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 296 | PRO | 0 | 0.012 | 0.001 | 35.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 297 | LEU | 0 | 0.025 | 0.019 | 36.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 298 | ARG | 1 | 0.920 | 0.936 | 39.364 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 299 | ALA | 0 | 0.049 | 0.022 | 42.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 300 | ALA | 0 | 0.031 | 0.024 | 41.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 301 | ALA | 0 | 0.012 | 0.001 | 43.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 302 | GLU | -1 | -0.882 | -0.946 | 45.153 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 303 | SER | 0 | 0.038 | 0.028 | 46.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 304 | VAL | 0 | 0.002 | -0.008 | 46.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 305 | TYR | 0 | 0.001 | -0.001 | 48.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 306 | GLN | 0 | -0.023 | -0.008 | 51.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 307 | TYR | 0 | 0.024 | 0.014 | 51.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 308 | MET | 0 | -0.042 | -0.004 | 51.043 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 309 | ARG | 1 | 0.868 | 0.933 | 53.954 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 310 | GLN | 0 | -0.050 | -0.023 | 56.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 311 | LYS | 1 | 0.826 | 0.913 | 53.843 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 312 | HIS | 0 | -0.027 | -0.035 | 54.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 313 | PRO | 0 | 0.041 | 0.016 | 58.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 314 | SER | 0 | -0.019 | 0.006 | 61.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 315 | ILE | 0 | -0.021 | -0.003 | 56.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 316 | ALA | 0 | 0.028 | 0.030 | 57.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 317 | PHE | 0 | 0.050 | 0.017 | 52.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 318 | ASN | 0 | -0.064 | -0.044 | 51.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 319 | LEU | 0 | 0.034 | 0.034 | 47.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 320 | ARG | 1 | 0.776 | 0.865 | 46.428 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 321 | ILE | 0 | 0.041 | 0.016 | 43.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 322 | GLY | 0 | 0.009 | -0.001 | 44.911 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 323 | GLU | -1 | -0.833 | -0.910 | 45.971 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 324 | MET | 0 | -0.012 | 0.002 | 45.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 325 | LYS | 1 | 0.842 | 0.924 | 47.437 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 326 | GLU | -1 | -0.768 | -0.882 | 49.495 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 327 | GLY | 0 | 0.010 | -0.002 | 51.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 328 | ASP | -1 | -0.817 | -0.874 | 50.832 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 329 | MET | 0 | 0.015 | 0.011 | 52.167 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 330 | ALA | 0 | -0.040 | -0.014 | 53.247 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 331 | THR | 0 | 0.033 | 0.002 | 54.114 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 332 | GLY | 0 | 0.036 | 0.029 | 55.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 333 | ILE | 0 | 0.004 | 0.011 | 49.533 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 334 | THR | 0 | -0.031 | -0.013 | 47.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 335 | TYR | 0 | 0.030 | 0.002 | 46.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 336 | ALA | 0 | 0.018 | -0.003 | 43.801 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 337 | SER | 0 | -0.010 | 0.011 | 40.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 338 | TYR | 0 | 0.042 | -0.002 | 36.474 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 339 | GLY | 0 | 0.069 | 0.015 | 37.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 340 | TYR | 0 | -0.081 | -0.020 | 38.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 341 | PHE | 0 | 0.060 | 0.007 | 40.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 342 | CYS | 0 | -0.054 | 0.003 | 35.107 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 343 | GLN | 0 | -0.052 | -0.023 | 38.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 344 | MET | 0 | -0.060 | -0.016 | 40.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 345 | SER | 0 | 0.047 | 0.035 | 39.656 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 346 | GLN | 0 | 0.015 | -0.025 | 37.160 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 347 | PRO | 0 | -0.023 | -0.014 | 39.839 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 348 | LYS | 1 | 0.856 | 0.911 | 43.476 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 349 | LEU | 0 | 0.015 | 0.008 | 38.242 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 350 | ARG | 1 | 0.875 | 0.932 | 42.304 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 351 | ALA | 0 | -0.010 | -0.011 | 43.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 352 | ALA | 0 | -0.023 | -0.013 | 45.294 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 353 | MET | 0 | -0.032 | -0.010 | 40.743 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 354 | VAL | 0 | 0.006 | 0.004 | 45.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 355 | GLU | -1 | -0.858 | -0.923 | 47.277 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 356 | TYR | 0 | -0.080 | -0.033 | 47.250 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 357 | SER | 0 | -0.030 | -0.015 | 48.648 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 358 | PHE | 0 | -0.014 | -0.022 | 46.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 359 | ILE | 0 | 0.028 | 0.020 | 41.550 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 360 | PHE | 0 | 0.015 | -0.008 | 42.402 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 361 | LEU | 0 | -0.003 | -0.001 | 36.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 362 | ASP | -1 | -0.699 | -0.830 | 38.037 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 363 | GLU | -1 | -0.846 | -0.920 | 35.967 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 364 | TYR | 0 | 0.034 | 0.005 | 31.667 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 365 | HIS | 0 | 0.025 | 0.017 | 30.425 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 366 | CYS | 0 | -0.115 | -0.044 | 29.643 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 367 | ALA | 0 | 0.008 | 0.011 | 27.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 368 | THR | 0 | 0.005 | -0.014 | 27.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 369 | PRO | 0 | 0.038 | 0.018 | 27.880 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 370 | GLU | -1 | -0.803 | -0.884 | 29.644 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 371 | GLN | 0 | -0.044 | -0.018 | 32.075 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 372 | LEU | 0 | 0.020 | 0.008 | 26.263 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 373 | ALA | 0 | 0.013 | 0.017 | 30.375 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 374 | ILE | 0 | -0.035 | -0.020 | 31.720 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 375 | MET | 0 | -0.032 | -0.016 | 32.261 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 376 | GLY | 0 | 0.066 | 0.039 | 31.180 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 377 | LYS | 1 | 0.801 | 0.883 | 32.071 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 378 | ILE | 0 | 0.005 | -0.011 | 34.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 379 | HIS | 0 | -0.019 | -0.011 | 32.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 380 | ARG | 1 | 0.909 | 0.959 | 31.615 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 381 | PHE | 0 | -0.027 | 0.006 | 36.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 382 | SER | 0 | 0.022 | -0.004 | 37.327 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 383 | GLU | -1 | -0.783 | -0.889 | 39.875 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 384 | ASN | 0 | -0.058 | -0.025 | 42.279 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 385 | LEU | 0 | -0.031 | -0.004 | 40.483 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 386 | ARG | 1 | 0.834 | 0.911 | 44.085 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 387 | VAL | 0 | -0.004 | 0.010 | 38.074 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 388 | VAL | 0 | 0.016 | -0.004 | 41.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 389 | ALA | 0 | 0.036 | 0.039 | 36.168 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 390 | MET | 0 | -0.073 | -0.024 | 38.278 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 391 | THR | 0 | 0.021 | 0.013 | 34.543 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 392 | ALA | 0 | -0.024 | -0.005 | 36.379 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 407 | ILE | 0 | -0.035 | -0.029 | 42.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 408 | GLU | -1 | -0.903 | -0.944 | 42.792 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 409 | GLU | -1 | -0.823 | -0.888 | 35.254 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 410 | PHE | 0 | -0.007 | -0.001 | 37.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 411 | ILE | 0 | -0.044 | -0.028 | 31.690 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 412 | ALA | 0 | 0.013 | 0.012 | 34.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 413 | PRO | 0 | -0.003 | -0.002 | 31.484 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 414 | GLU | -1 | -0.900 | -0.967 | 25.916 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 415 | VAL | 0 | -0.021 | 0.006 | 30.292 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 416 | MET | 0 | 0.027 | 0.007 | 28.650 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 417 | LYS | 1 | 0.827 | 0.907 | 26.128 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 418 | GLY | 0 | 0.009 | 0.004 | 30.734 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 419 | GLU | -1 | -0.964 | -0.967 | 34.340 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 420 | ASP | -1 | -0.831 | -0.920 | 37.284 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 421 | LEU | 0 | -0.024 | 0.011 | 38.932 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 422 | GLY | 0 | -0.054 | -0.059 | 39.573 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 423 | SER | 0 | -0.010 | -0.003 | 40.158 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 424 | GLU | -1 | -0.932 | -0.961 | 43.944 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 425 | TYR | 0 | -0.043 | -0.034 | 40.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 426 | LEU | 0 | -0.038 | -0.020 | 39.997 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 427 | ASP | -1 | -0.838 | -0.923 | 33.912 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 428 | ILE | 0 | -0.051 | -0.022 | 35.691 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 429 | ALA | 0 | -0.047 | -0.035 | 32.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 430 | GLY | 0 | -0.013 | -0.007 | 30.025 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 431 | LEU | 0 | -0.036 | -0.012 | 30.364 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 432 | LYS | 1 | 0.896 | 0.959 | 33.258 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 433 | ILE | 0 | 0.018 | 0.013 | 36.231 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 434 | PRO | 0 | 0.026 | 0.016 | 39.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 435 | VAL | 0 | 0.026 | -0.010 | 42.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 436 | GLU | -1 | -0.812 | -0.880 | 45.399 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 437 | GLU | -1 | -0.813 | -0.872 | 42.884 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 438 | MET | 0 | -0.069 | -0.027 | 42.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 439 | LYS | 1 | 0.786 | 0.882 | 46.274 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 440 | ASN | 0 | -0.054 | -0.025 | 46.755 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 441 | ASN | 0 | -0.030 | -0.021 | 46.525 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 442 | MET | 0 | 0.020 | 0.018 | 40.736 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 443 | LEU | 0 | -0.015 | 0.005 | 37.630 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 444 | VAL | 0 | 0.036 | 0.010 | 34.955 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 445 | PHE | 0 | 0.051 | 0.027 | 32.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 446 | VAL | 0 | 0.022 | 0.021 | 30.420 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 447 | PRO | 0 | -0.032 | -0.006 | 25.788 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 448 | THR | 0 | 0.017 | -0.013 | 25.918 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 449 | ARG | 1 | 0.971 | 0.980 | 28.883 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 450 | ASN | 0 | 0.018 | 0.012 | 29.907 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 451 | MET | 0 | -0.008 | -0.009 | 27.858 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 452 | ALA | 0 | 0.027 | 0.025 | 31.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 453 | VAL | 0 | 0.049 | 0.023 | 34.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 454 | GLU | -1 | -0.857 | -0.909 | 32.826 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 455 | ALA | 0 | 0.040 | 0.009 | 34.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 456 | ALA | 0 | 0.034 | 0.021 | 36.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 457 | LYS | 1 | 0.886 | 0.950 | 36.225 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 458 | LYS | 1 | 0.894 | 0.941 | 34.278 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 459 | LEU | 0 | 0.006 | 0.004 | 39.367 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 460 | LYS | 1 | 0.866 | 0.932 | 42.001 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 461 | ALA | 0 | -0.039 | -0.013 | 42.802 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 462 | LYS | 1 | 0.925 | 0.960 | 40.176 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 463 | GLY | 0 | 0.027 | 0.029 | 45.128 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 464 | TYR | 0 | 0.033 | 0.017 | 44.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 465 | ASN | 0 | 0.012 | -0.009 | 46.811 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 466 | SER | 0 | -0.045 | -0.036 | 42.130 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 467 | GLY | 0 | 0.061 | 0.030 | 42.596 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 468 | TYR | 0 | -0.089 | -0.050 | 37.931 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 469 | TYR | 0 | 0.029 | 0.016 | 37.966 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 470 | TYR | 0 | -0.034 | -0.045 | 34.218 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 471 | SER | 0 | -0.003 | -0.002 | 33.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 472 | GLY | 0 | 0.057 | 0.013 | 35.384 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 473 | GLU | -1 | -0.807 | -0.877 | 38.192 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 474 | ASP | -1 | -0.792 | -0.862 | 40.841 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 475 | PRO | 0 | -0.025 | -0.034 | 44.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 476 | SER | 0 | -0.042 | -0.044 | 45.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 477 | ASN | 0 | -0.016 | -0.010 | 44.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 478 | LEU | 0 | -0.002 | 0.002 | 42.420 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 479 | ARG | 1 | 0.902 | 0.955 | 45.770 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 480 | VAL | 0 | -0.002 | 0.018 | 49.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 481 | VAL | 0 | -0.080 | -0.032 | 45.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 490 | VAL | 0 | -0.042 | -0.018 | 35.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 491 | ALA | 0 | 0.030 | 0.006 | 36.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 492 | THR | 0 | 0.004 | 0.010 | 30.297 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 493 | ASN | 0 | 0.073 | 0.020 | 30.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 494 | ALA | 0 | -0.011 | -0.001 | 32.839 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 495 | ILE | 0 | 0.005 | 0.012 | 34.785 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 496 | GLU | -1 | -0.894 | -0.904 | 35.870 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 506 | VAL | 0 | -0.027 | -0.013 | 37.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 507 | VAL | 0 | 0.019 | 0.019 | 34.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 508 | ASP | -1 | -0.780 | -0.883 | 31.585 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 509 | THR | 0 | 0.022 | -0.019 | 28.559 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 510 | GLY | 0 | 0.024 | 0.040 | 28.098 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 511 | LEU | 0 | -0.028 | -0.007 | 22.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 512 | LYS | 1 | 0.776 | 0.872 | 24.048 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 513 | CYS | 0 | -0.033 | -0.024 | 23.519 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 514 | GLU | -1 | -0.846 | -0.908 | 22.678 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 515 | LYS | 1 | 0.839 | 0.905 | 21.553 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 516 | ARG | 1 | 0.815 | 0.879 | 15.132 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 517 | ILE | 0 | 0.018 | 0.001 | 15.458 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 518 | ARG | 1 | 0.707 | 0.822 | 10.547 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 519 | LEU | 0 | 0.024 | 0.014 | 11.560 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 520 | SER | 0 | -0.073 | -0.045 | 9.635 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 521 | PRO | 0 | 0.000 | -0.008 | 7.552 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 522 | LYS | 1 | 0.957 | 0.982 | 7.704 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 523 | MET | 0 | 0.017 | 0.042 | 11.672 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 524 | PRO | 0 | 0.052 | 0.028 | 14.747 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 525 | PHE | 0 | -0.061 | -0.011 | 14.044 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 526 | ILE | 0 | -0.033 | -0.012 | 14.506 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 527 | VAL | 0 | 0.020 | 0.026 | 14.247 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 528 | THR | 0 | -0.021 | -0.040 | 15.990 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 529 | GLY | 0 | 0.085 | 0.030 | 18.579 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 530 | LEU | 0 | -0.037 | -0.019 | 19.829 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 531 | LYS | 1 | 0.878 | 0.943 | 14.181 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 532 | ARG | 1 | 0.952 | 0.970 | 19.758 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 533 | MET | 0 | -0.030 | 0.015 | 19.269 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 534 | ALA | 0 | 0.080 | 0.042 | 20.779 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 535 | VAL | 0 | -0.061 | -0.017 | 22.888 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 536 | THR | 0 | 0.006 | -0.031 | 25.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 537 | ILE | 0 | 0.031 | 0.002 | 26.948 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 538 | GLY | 0 | 0.003 | 0.008 | 29.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 539 | GLU | -1 | -0.752 | -0.837 | 27.644 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 540 | GLN | 0 | -0.016 | -0.026 | 30.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 541 | ALA | 0 | -0.035 | -0.017 | 32.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 542 | GLN | 0 | -0.004 | 0.002 | 34.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 543 | ARG | 1 | 0.749 | 0.842 | 28.983 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 544 | ARG | 1 | 0.866 | 0.915 | 34.723 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 545 | GLY | 0 | 0.008 | 0.015 | 38.111 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 546 | ARG | 1 | 0.752 | 0.850 | 38.851 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 547 | VAL | 0 | 0.005 | 0.021 | 41.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 555 | TYR | 0 | -0.054 | -0.048 | 37.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 556 | TYR | 0 | 0.003 | -0.024 | 37.086 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 557 | ARG | 1 | 0.855 | 0.922 | 30.984 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 558 | SER | 0 | 0.021 | -0.011 | 28.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 559 | GLN | 0 | -0.014 | -0.022 | 27.486 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 560 | GLU | -1 | -0.886 | -0.923 | 22.533 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 561 | THR | 0 | -0.084 | -0.053 | 22.865 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 562 | PRO | 0 | -0.013 | 0.001 | 23.506 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 563 | VAL | 0 | -0.016 | 0.000 | 20.848 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 564 | GLY | 0 | 0.000 | -0.015 | 23.631 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 565 | SER | 0 | -0.039 | -0.040 | 23.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 566 | LYS | 1 | 0.840 | 0.908 | 23.400 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 567 | ASP | -1 | -0.812 | -0.881 | 18.135 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 568 | TYR | 0 | 0.002 | -0.011 | 21.589 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 569 | HIS | 0 | 0.005 | -0.009 | 18.308 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 570 | TYR | 0 | 0.029 | 0.014 | 20.402 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 571 | ASP | -1 | -0.803 | -0.917 | 21.541 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 572 | LEU | 0 | 0.005 | -0.006 | 22.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 573 | LEU | 0 | -0.013 | 0.005 | 19.623 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 574 | GLN | 0 | -0.015 | -0.013 | 23.176 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 575 | ALA | 0 | -0.032 | -0.015 | 26.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 576 | GLN | 0 | 0.044 | 0.036 | 22.038 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 577 | ARG | 1 | 0.943 | 0.964 | 27.735 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 578 | TYR | 0 | -0.082 | -0.076 | 30.484 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 579 | GLY | 0 | 0.008 | -0.004 | 31.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 580 | ILE | 0 | 0.025 | 0.024 | 29.155 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 581 | GLU | -1 | -0.841 | -0.899 | 32.110 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 582 | ASP | -1 | -0.834 | -0.902 | 35.189 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 583 | GLY | 0 | 0.018 | 0.019 | 33.042 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 584 | ILE | 0 | -0.108 | -0.061 | 31.204 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 585 | ASN | 0 | 0.049 | 0.013 | 24.133 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 586 | ILE | 0 | 0.014 | 0.020 | 27.704 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 587 | THR | 0 | 0.009 | -0.009 | 21.415 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 588 | LYS | 1 | 0.886 | 0.960 | 24.849 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 589 | SER | 0 | -0.036 | -0.033 | 25.992 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 590 | PHE | 0 | -0.003 | 0.001 | 23.829 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 591 | ARG | 1 | 0.773 | 0.853 | 22.160 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 592 | GLU | -1 | -0.813 | -0.915 | 25.738 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 593 | MET | 0 | -0.031 | 0.010 | 29.055 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 594 | ASN | 0 | -0.024 | -0.049 | 25.118 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 595 | TYR | 0 | -0.058 | -0.017 | 27.087 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 596 | ASP | -1 | -0.829 | -0.897 | 28.871 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 597 | TRP | 0 | -0.083 | -0.065 | 31.948 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 598 | SER | 0 | -0.035 | -0.013 | 29.424 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 599 | LEU | 0 | -0.048 | -0.017 | 30.376 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 600 | TYR | 0 | -0.053 | -0.051 | 25.682 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 601 | GLU | -1 | -0.863 | -0.895 | 22.254 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 602 | GLU | -1 | -0.839 | -0.918 | 20.687 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 603 | ASP | -1 | -0.900 | -0.933 | 14.731 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 604 | SER | 0 | 0.061 | 0.011 | 17.367 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 605 | LEU | 0 | -0.058 | 0.008 | 9.640 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 606 | MET | 0 | 0.020 | 0.009 | 12.728 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 607 | ILE | 0 | 0.018 | 0.004 | 15.273 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 608 | THR | 0 | 0.002 | -0.013 | 15.965 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 609 | GLN | 0 | -0.013 | -0.018 | 10.017 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 610 | LEU | 0 | 0.029 | 0.011 | 15.726 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 611 | GLU | -1 | -0.831 | -0.888 | 18.761 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 612 | ILE | 0 | -0.022 | -0.015 | 16.304 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 613 | LEU | 0 | 0.008 | 0.008 | 16.066 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 614 | ASN | 0 | 0.020 | 0.019 | 20.182 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 615 | ASN | 0 | 0.013 | 0.008 | 22.967 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 616 | LEU | 0 | 0.008 | 0.018 | 20.689 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 617 | LEU | 0 | -0.028 | -0.004 | 23.853 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 618 | ILE | 0 | -0.065 | -0.025 | 25.799 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 619 | SER | 0 | -0.060 | -0.027 | 26.760 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 620 | GLU | -1 | -0.940 | -0.966 | 28.753 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 621 | GLU | -1 | -0.909 | -0.943 | 31.656 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 622 | LEU | 0 | 0.026 | 0.017 | 30.918 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 623 | PRO | 0 | 0.063 | 0.023 | 32.610 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 624 | MET | 0 | 0.062 | 0.018 | 35.574 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 625 | ALA | 0 | -0.009 | 0.008 | 37.076 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 626 | VAL | 0 | 0.081 | 0.039 | 31.341 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 627 | LYS | 1 | 0.783 | 0.871 | 34.708 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 628 | ASN | 0 | -0.039 | -0.024 | 36.453 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 629 | ILE | 0 | 0.027 | 0.030 | 34.353 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 630 | MET | 0 | 0.002 | 0.005 | 30.870 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 631 | ALA | 0 | -0.065 | -0.013 | 34.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 632 | ARG | 1 | 0.806 | 0.887 | 37.726 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 633 | THR | 0 | -0.043 | -0.011 | 33.312 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 634 | ASP | -1 | -0.803 | -0.875 | 35.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 635 | HIS | 0 | 0.017 | 0.017 | 26.817 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 636 | PRO | 0 | -0.002 | -0.003 | 27.419 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 637 | GLU | -1 | -0.792 | -0.841 | 23.137 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 638 | PRO | 0 | 0.041 | 0.014 | 27.057 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 639 | ILE | 0 | -0.011 | -0.002 | 24.999 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 640 | GLN | 0 | -0.055 | -0.028 | 22.648 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 641 | LEU | 0 | -0.002 | -0.009 | 25.416 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 642 | ALA | 0 | 0.022 | 0.001 | 28.158 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 643 | TYR | 0 | -0.022 | -0.036 | 21.614 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 644 | ASN | 0 | 0.034 | 0.013 | 22.894 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 645 | SER | 0 | -0.036 | -0.021 | 25.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 646 | TYR | 0 | -0.031 | -0.016 | 25.255 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 647 | GLU | -1 | -0.757 | -0.842 | 22.480 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 648 | THR | 0 | -0.064 | -0.033 | 25.100 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 649 | GLN | 0 | 0.018 | -0.004 | 27.638 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 650 | VAL | 0 | -0.045 | -0.011 | 30.314 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 651 | PRO | 0 | 0.001 | 0.002 | 28.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 652 | VAL | 0 | 0.010 | 0.012 | 26.550 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 653 | LEU | 0 | -0.044 | -0.016 | 27.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 654 | PHE | 0 | 0.064 | 0.013 | 21.568 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 655 | PRO | 0 | -0.034 | 0.000 | 25.367 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 656 | LYS | 1 | 0.880 | 0.926 | 25.770 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 657 | ILE | 0 | 0.035 | 0.038 | 22.130 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 658 | ARG | 1 | 0.913 | 0.952 | 25.487 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 659 | ASN | 0 | -0.084 | -0.063 | 26.193 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 660 | GLY | 0 | 0.023 | 0.023 | 22.438 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 661 | GLU | -1 | -0.926 | -0.942 | 22.715 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 662 | VAL | 0 | 0.049 | 0.019 | 23.914 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 663 | THR | 0 | -0.036 | -0.017 | 26.484 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 664 | ASP | -1 | -0.770 | -0.861 | 29.728 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 665 | THR | 0 | -0.081 | -0.053 | 31.251 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 666 | TYR | 0 | 0.046 | -0.017 | 29.474 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 667 | ASP | -1 | -0.814 | -0.869 | 29.602 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 668 | ASN | 0 | -0.040 | -0.019 | 32.168 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 669 | TYR | 0 | -0.041 | -0.046 | 29.169 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 670 | THR | 0 | 0.003 | -0.034 | 34.772 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 671 | PHE | 0 | -0.026 | -0.034 | 36.378 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 672 | LEU | 0 | 0.009 | 0.010 | 31.124 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 673 | ASN | 0 | -0.081 | -0.045 | 34.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 674 | ALA | 0 | 0.025 | 0.034 | 31.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 675 | ARG | 1 | 0.787 | 0.883 | 27.106 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 676 | LYS | 1 | 0.823 | 0.899 | 31.002 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 677 | LEU | 0 | -0.001 | 0.004 | 23.567 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 678 | GLY | 0 | -0.032 | -0.015 | 27.914 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 679 | ASP | -1 | -0.877 | -0.943 | 25.965 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 680 | ASP | -1 | -0.857 | -0.915 | 25.072 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 681 | VAL | 0 | 0.027 | 0.029 | 19.878 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 682 | PRO | 0 | 0.001 | 0.007 | 23.093 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 683 | PRO | 0 | 0.052 | 0.021 | 21.058 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 684 | TYR | 0 | -0.059 | -0.042 | 20.601 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 685 | VAL | 0 | 0.072 | 0.030 | 19.226 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 686 | TYR | 0 | -0.058 | -0.066 | 18.573 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 687 | ALA | 0 | 0.044 | 0.029 | 17.881 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 688 | THR | 0 | -0.031 | -0.032 | 19.454 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 689 | GLU | -1 | -0.812 | -0.912 | 14.845 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 690 | ASP | -1 | -0.900 | -0.951 | 18.081 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 691 | GLU | -1 | -0.784 | -0.869 | 20.712 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 692 | ASP | -1 | -0.765 | -0.867 | 13.994 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 693 | LEU | 0 | -0.031 | -0.013 | 17.121 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 694 | ALA | 0 | 0.005 | -0.001 | 18.262 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 695 | VAL | 0 | -0.003 | 0.002 | 17.187 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 696 | GLU | -1 | -0.934 | -0.967 | 13.052 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 697 | LEU | 0 | -0.085 | -0.047 | 17.193 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 698 | LEU | 0 | -0.071 | -0.031 | 20.346 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 699 | GLY | 0 | -0.049 | -0.009 | 19.082 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 700 | LEU | 0 | -0.072 | -0.030 | 19.361 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 701 | ASP | -1 | -0.895 | -0.946 | 15.859 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 702 | TRP | 0 | -0.039 | -0.055 | 14.629 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 703 | PRO | 0 | -0.033 | -0.011 | 16.772 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 704 | ASP | -1 | -0.908 | -0.956 | 15.029 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 705 | PRO | 0 | -0.097 | -0.068 | 16.497 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 706 | GLY | 0 | 0.034 | 0.025 | 19.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 707 | ASN | 0 | -0.049 | -0.030 | 23.275 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 708 | GLN | 0 | 0.011 | -0.005 | 23.397 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 709 | GLY | 0 | 0.061 | 0.043 | 23.538 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 710 | THR | 0 | -0.026 | -0.047 | 20.369 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 711 | VAL | 0 | 0.019 | 0.007 | 19.204 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 712 | GLU | -1 | -0.861 | -0.911 | 18.583 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 713 | ALA | 0 | -0.002 | 0.003 | 18.902 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 714 | GLY | 0 | 0.055 | 0.020 | 15.152 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 715 | ARG | 1 | 0.795 | 0.876 | 14.202 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 716 | ALA | 0 | 0.019 | 0.004 | 15.073 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 717 | LEU | 0 | -0.021 | -0.024 | 12.478 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 718 | LYS | 1 | 0.865 | 0.944 | 9.642 | 0.553 | 0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 719 | GLN | 0 | -0.031 | 0.001 | 11.194 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 720 | VAL | 0 | -0.002 | -0.006 | 11.783 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 721 | VAL | 0 | -0.056 | -0.029 | 7.129 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 722 | GLY | 0 | -0.003 | 0.004 | 7.775 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 723 | LEU | 0 | -0.036 | -0.011 | 4.652 | -0.384 | -0.320 | -0.001 | -0.009 | -0.053 | 0.000 |
675 | B | 724 | SER | 0 | 0.048 | 0.022 | 8.459 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 725 | THR | 0 | -0.015 | -0.020 | 10.877 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 726 | ALA | 0 | -0.018 | 0.008 | 13.624 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 727 | GLU | -1 | -0.934 | -0.966 | 13.208 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 728 | ASN | 0 | -0.019 | -0.024 | 15.165 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 729 | ALA | 0 | 0.033 | 0.028 | 16.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 730 | LEU | 0 | -0.024 | -0.014 | 17.864 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 731 | LEU | 0 | 0.002 | 0.012 | 20.927 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |