FMODB ID: 94222
Calculation Name: 4ZWJ-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4ZWJ
Chain ID: B
UniProt ID: P20443
Base Structure: X-ray
Registration Date: 2023-06-26
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 | 674 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -14669621.077055 |
---|---|
FMO2-HF: Nuclear repulsion | 14401769.601835 |
FMO2-HF: Total energy | -267851.47522 |
FMO2-MP2: Total energy | -268622.897659 |
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:1:MET)
Summations of interaction energy for
fragment #1(B:1:MET)
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. |
-3.351 | 0.903 | 2.077 | -2.234 | -4.096 | -0.005 |
Interaction energy analysis for fragmet #1(B:1:MET)
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 | GLY | 0 | 0.037 | 0.017 | 3.380 | -1.334 | 0.764 | 0.002 | -1.018 | -1.082 | 0.004 |
4 | B | 4 | THR | 0 | -0.072 | -0.046 | 2.956 | -2.374 | -1.367 | 0.229 | -0.562 | -0.673 | -0.006 |
5 | B | 5 | GLU | -1 | -0.794 | -0.913 | 2.468 | -3.036 | -2.446 | 1.802 | -0.586 | -1.806 | -0.003 |
6 | B | 6 | GLY | 0 | 0.030 | 0.014 | 5.184 | 0.259 | 0.288 | -0.001 | -0.003 | -0.025 | 0.000 |
7 | B | 7 | PRO | 0 | -0.055 | -0.014 | 8.431 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 8 | ASN | 0 | 0.009 | -0.010 | 10.929 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 9 | PHE | 0 | 0.044 | 0.009 | 9.472 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 10 | TYR | 0 | 0.030 | 0.022 | 2.967 | -0.584 | -0.118 | 0.046 | -0.062 | -0.451 | 0.000 |
11 | B | 11 | VAL | 0 | 0.045 | 0.029 | 7.625 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 12 | PRO | 0 | -0.017 | 0.012 | 7.469 | -0.430 | -0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 13 | PHE | 0 | 0.013 | -0.024 | 7.963 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 14 | SER | 0 | 0.074 | 0.053 | 5.686 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 15 | ASN | 0 | 0.019 | -0.003 | 6.497 | 0.570 | 0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 16 | ALA | 0 | 0.014 | 0.014 | 7.011 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 17 | THR | 0 | -0.001 | -0.002 | 8.631 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 18 | GLY | 0 | 0.024 | 0.017 | 11.081 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 19 | VAL | 0 | -0.017 | -0.007 | 12.629 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 20 | VAL | 0 | -0.023 | 0.009 | 9.538 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 21 | ARG | 1 | 0.844 | 0.903 | 12.254 | 0.714 | 0.714 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 22 | SER | 0 | 0.053 | 0.026 | 13.794 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 23 | PRO | 0 | 0.045 | 0.016 | 12.936 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 24 | PHE | 0 | -0.035 | -0.020 | 14.889 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 25 | GLU | -1 | -0.965 | -0.962 | 18.297 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 26 | TYR | 0 | 0.008 | -0.009 | 18.010 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 27 | PRO | 0 | -0.011 | -0.003 | 18.707 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 28 | GLN | 0 | 0.013 | 0.014 | 14.390 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 29 | TYR | 0 | -0.017 | -0.022 | 17.289 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 30 | TYR | 0 | 0.013 | -0.004 | 12.982 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 31 | LEU | 0 | -0.091 | -0.031 | 12.444 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 32 | ALA | 0 | -0.013 | -0.015 | 15.655 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 33 | GLU | -1 | -0.801 | -0.883 | 19.110 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 34 | PRO | 0 | 0.046 | 0.013 | 22.787 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 35 | TRP | 0 | 0.002 | -0.012 | 24.672 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 36 | GLN | 0 | -0.019 | -0.012 | 22.033 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 37 | PHE | 0 | 0.011 | 0.009 | 18.459 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 38 | SER | 0 | -0.001 | -0.005 | 24.327 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 39 | MET | 0 | -0.025 | -0.015 | 26.960 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 40 | LEU | 0 | -0.012 | 0.003 | 21.989 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 41 | ALA | 0 | 0.035 | 0.026 | 26.109 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 42 | ALA | 0 | 0.004 | -0.010 | 28.601 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 43 | TYR | 0 | -0.015 | -0.020 | 26.149 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 44 | MET | 0 | 0.013 | 0.014 | 24.787 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 45 | PHE | 0 | 0.003 | 0.003 | 29.558 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 46 | LEU | 0 | -0.003 | 0.001 | 33.071 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 47 | LEU | 0 | -0.008 | -0.012 | 28.450 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 48 | ILE | 0 | -0.018 | -0.005 | 31.425 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 49 | VAL | 0 | -0.034 | -0.017 | 34.560 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 50 | LEU | 0 | -0.027 | -0.013 | 36.138 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 51 | GLY | 0 | 0.054 | 0.017 | 35.346 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 52 | PHE | 0 | -0.006 | 0.001 | 36.414 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 53 | PRO | 0 | 0.000 | 0.000 | 38.292 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 54 | ILE | 0 | 0.036 | 0.023 | 39.649 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 55 | ASN | 0 | 0.029 | 0.020 | 36.785 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 56 | PHE | 0 | 0.033 | 0.015 | 40.625 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 57 | LEU | 0 | -0.021 | -0.009 | 42.702 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 58 | THR | 0 | -0.007 | -0.020 | 42.781 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 59 | LEU | 0 | 0.011 | 0.019 | 40.871 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 60 | TYR | 0 | 0.024 | 0.012 | 45.223 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 61 | VAL | 0 | -0.024 | -0.025 | 48.125 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 62 | THR | 0 | 0.030 | 0.002 | 47.440 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 63 | VAL | 0 | -0.016 | 0.000 | 48.255 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 64 | GLN | 0 | -0.033 | 0.004 | 50.904 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 65 | HIS | 0 | -0.041 | -0.024 | 53.325 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 66 | LYS | 1 | 0.978 | 0.974 | 53.755 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 67 | LYS | 1 | 0.746 | 0.846 | 55.023 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 68 | LEU | 0 | 0.052 | 0.037 | 49.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 69 | ARG | 1 | 0.831 | 0.923 | 50.382 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 70 | THR | 0 | 0.000 | -0.001 | 50.649 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 71 | PRO | 0 | 0.034 | 0.007 | 48.749 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 72 | LEU | 0 | 0.032 | 0.022 | 46.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 73 | ASN | 0 | -0.025 | -0.021 | 45.655 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 74 | TYR | 0 | -0.024 | -0.013 | 44.464 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 75 | ILE | 0 | 0.030 | 0.028 | 38.644 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 76 | LEU | 0 | -0.019 | -0.006 | 40.141 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 77 | LEU | 0 | -0.031 | -0.024 | 41.174 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 78 | ASN | 0 | -0.001 | 0.002 | 36.287 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 79 | LEU | 0 | 0.017 | 0.021 | 35.235 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 80 | ALA | 0 | 0.043 | 0.022 | 36.304 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 81 | VAL | 0 | -0.034 | -0.024 | 36.367 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 82 | ALA | 0 | -0.026 | 0.000 | 32.838 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 83 | ASP | -1 | -0.798 | -0.923 | 32.435 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 84 | LEU | 0 | -0.053 | -0.033 | 33.238 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 85 | PHE | 0 | -0.007 | 0.007 | 30.857 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 86 | MET | 0 | -0.024 | 0.015 | 26.806 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 87 | VAL | 0 | -0.033 | -0.013 | 29.417 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 88 | LEU | 0 | -0.016 | -0.022 | 31.385 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 89 | GLY | 0 | 0.031 | 0.039 | 29.490 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 90 | GLY | 0 | 0.030 | 0.024 | 26.154 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 91 | PHE | 0 | 0.045 | 0.011 | 26.454 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 92 | THR | 0 | -0.004 | -0.009 | 28.572 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 93 | SER | 0 | -0.017 | -0.013 | 25.815 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 94 | THR | 0 | 0.014 | -0.015 | 23.045 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 95 | LEU | 0 | -0.035 | 0.012 | 25.293 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 96 | TYR | 0 | 0.008 | 0.008 | 27.384 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 97 | THR | 0 | -0.017 | -0.015 | 22.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 98 | SER | 0 | -0.011 | -0.038 | 23.563 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 99 | LEU | 0 | -0.039 | -0.023 | 24.546 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 100 | HIS | 0 | -0.038 | -0.011 | 24.860 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 101 | GLY | 0 | 0.007 | 0.014 | 22.456 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 102 | TYR | 0 | -0.040 | -0.028 | 19.144 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 103 | PHE | 0 | 0.006 | 0.008 | 18.723 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 104 | VAL | 0 | 0.031 | -0.001 | 20.498 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 105 | PHE | 0 | -0.037 | -0.002 | 23.268 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 106 | GLY | 0 | 0.033 | 0.026 | 20.496 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 107 | PRO | 0 | 0.035 | -0.004 | 17.325 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 108 | THR | 0 | 0.021 | 0.021 | 19.263 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 109 | GLY | 0 | 0.067 | 0.033 | 22.716 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 110 | CYS | 0 | -0.109 | -0.022 | 17.633 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 111 | ASN | 0 | 0.040 | -0.006 | 18.276 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 112 | LEU | 0 | -0.004 | 0.003 | 21.203 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 113 | GLN | 0 | -0.006 | 0.002 | 22.065 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 114 | GLY | 0 | 0.026 | 0.018 | 20.734 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 115 | PHE | 0 | 0.025 | 0.025 | 21.646 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 116 | PHE | 0 | -0.008 | -0.014 | 24.266 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 117 | ALA | 0 | 0.001 | 0.002 | 23.608 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 118 | THR | 0 | -0.030 | -0.021 | 22.203 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 119 | LEU | 0 | 0.008 | 0.003 | 24.452 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 120 | GLY | 0 | 0.001 | 0.002 | 27.828 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 121 | GLY | 0 | 0.045 | 0.011 | 27.159 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 122 | GLU | -1 | -0.707 | -0.876 | 25.267 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 123 | ILE | 0 | 0.002 | -0.001 | 28.479 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 124 | ALA | 0 | 0.020 | 0.027 | 31.282 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 125 | LEU | 0 | -0.029 | -0.004 | 27.622 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 126 | TRP | 0 | -0.018 | -0.033 | 28.618 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 127 | SER | 0 | -0.012 | -0.024 | 33.395 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 128 | LEU | 0 | -0.034 | -0.014 | 33.766 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 129 | VAL | 0 | -0.035 | -0.005 | 33.022 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 130 | VAL | 0 | -0.011 | -0.004 | 36.188 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 131 | LEU | 0 | 0.007 | 0.009 | 39.085 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 132 | ALA | 0 | -0.021 | -0.007 | 39.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 133 | ILE | 0 | 0.025 | 0.005 | 38.534 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 134 | GLU | -1 | -0.887 | -0.963 | 42.294 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 135 | ARG | 1 | 0.834 | 0.900 | 42.738 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 136 | TYR | 0 | 0.013 | 0.005 | 44.330 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 137 | VAL | 0 | 0.004 | -0.005 | 45.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 138 | VAL | 0 | -0.048 | -0.034 | 48.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 139 | VAL | 0 | -0.033 | -0.001 | 49.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 140 | CYS | 0 | -0.026 | -0.015 | 50.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 141 | LYS | 1 | 0.891 | 0.953 | 51.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 142 | PRO | 0 | 0.070 | 0.044 | 53.473 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 143 | MET | 0 | -0.007 | -0.014 | 55.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 144 | SER | 0 | -0.035 | -0.025 | 50.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 145 | ASN | 0 | -0.036 | -0.013 | 52.292 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 146 | PHE | 0 | 0.006 | 0.002 | 54.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 147 | ARG | 1 | 0.876 | 0.950 | 51.295 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 148 | PHE | 0 | 0.028 | 0.019 | 45.159 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 149 | GLY | 0 | 0.017 | -0.016 | 50.901 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 150 | GLU | -1 | -0.816 | -0.907 | 49.504 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 151 | ASN | 0 | -0.031 | -0.039 | 47.936 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 152 | HIS | 0 | -0.007 | 0.004 | 46.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 153 | ALA | 0 | 0.033 | 0.026 | 44.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 154 | ILE | 0 | -0.011 | -0.006 | 43.353 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 155 | MET | 0 | -0.019 | -0.010 | 42.229 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 156 | GLY | 0 | 0.047 | 0.034 | 40.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 157 | VAL | 0 | 0.009 | 0.005 | 38.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 158 | ALA | 0 | 0.006 | 0.004 | 37.605 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 159 | PHE | 0 | -0.005 | -0.007 | 34.765 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 160 | THR | 0 | -0.010 | -0.019 | 34.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 161 | TRP | 0 | -0.039 | -0.032 | 32.950 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 162 | VAL | 0 | -0.011 | 0.000 | 31.993 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 163 | MET | 0 | -0.028 | -0.011 | 30.502 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 164 | ALA | 0 | 0.044 | 0.034 | 28.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 165 | LEU | 0 | 0.021 | -0.005 | 27.174 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 166 | ALA | 0 | -0.019 | -0.003 | 26.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 167 | CYS | 0 | -0.098 | -0.033 | 23.056 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 168 | ALA | 0 | 0.055 | 0.018 | 22.396 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 169 | ALA | 0 | -0.004 | -0.002 | 23.376 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 170 | PRO | 0 | -0.029 | -0.007 | 20.923 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 171 | PRO | 0 | 0.014 | 0.020 | 17.712 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 172 | LEU | 0 | -0.065 | -0.024 | 18.421 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 173 | ALA | 0 | -0.065 | -0.037 | 20.896 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 174 | GLY | 0 | 0.018 | 0.018 | 17.566 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 175 | TRP | 0 | -0.105 | -0.045 | 16.848 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 176 | SER | 0 | 0.023 | -0.010 | 13.783 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 177 | ARG | 1 | 0.795 | 0.881 | 7.809 | 0.730 | 0.730 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 178 | TYR | 0 | -0.035 | -0.017 | 14.835 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 179 | ILE | 0 | -0.013 | -0.011 | 10.627 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 180 | PRO | 0 | -0.011 | -0.013 | 13.608 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 181 | GLU | -1 | -0.801 | -0.858 | 13.327 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 182 | GLY | 0 | 0.044 | 0.004 | 13.922 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 183 | LEU | 0 | -0.027 | -0.025 | 14.178 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 184 | GLN | 0 | -0.025 | -0.022 | 12.091 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 185 | CYS | 0 | 0.003 | 0.008 | 16.012 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 186 | SER | 0 | -0.003 | 0.008 | 19.101 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | GLY | 0 | 0.022 | 0.013 | 17.090 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | ILE | 0 | 0.027 | 0.007 | 15.425 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASP | -1 | -0.720 | -0.822 | 9.610 | -0.628 | -0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | TYR | 0 | -0.043 | -0.030 | 12.204 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | TYR | 0 | 0.026 | 0.000 | 8.545 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | THR | 0 | -0.024 | -0.017 | 4.755 | -0.086 | -0.022 | -0.001 | -0.003 | -0.059 | 0.000 |
193 | B | 194 | LEU | 0 | 0.002 | 0.003 | 6.011 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | LYS | 1 | 0.860 | 0.941 | 5.974 | 0.896 | 0.896 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | PRO | 0 | 0.019 | -0.005 | 7.804 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.885 | -0.948 | 8.803 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | VAL | 0 | -0.008 | 0.005 | 11.100 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | ASN | 0 | -0.039 | -0.017 | 12.999 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | ASN | 0 | 0.046 | 0.012 | 9.296 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.913 | -0.944 | 12.176 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | SER | 0 | 0.046 | 0.015 | 13.557 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | PHE | 0 | 0.016 | 0.015 | 15.826 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | VAL | 0 | 0.052 | 0.020 | 13.572 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 205 | ILE | 0 | -0.005 | 0.004 | 16.708 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 206 | TYR | 0 | -0.048 | -0.043 | 19.209 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 207 | MET | 0 | -0.036 | -0.021 | 19.464 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 208 | PHE | 0 | 0.000 | -0.002 | 20.168 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 209 | VAL | 0 | 0.009 | -0.004 | 22.098 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 210 | VAL | 0 | -0.019 | -0.004 | 24.537 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 211 | HIS | 1 | 0.821 | 0.898 | 24.255 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 212 | PHE | 0 | 0.045 | 0.036 | 24.467 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 213 | THR | 0 | 0.005 | -0.024 | 26.406 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 214 | ILE | 0 | -0.008 | 0.010 | 28.574 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 215 | PRO | 0 | 0.014 | 0.005 | 29.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 216 | MET | 0 | -0.025 | 0.009 | 27.875 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 217 | ILE | 0 | 0.010 | 0.006 | 32.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 218 | ILE | 0 | 0.015 | 0.008 | 34.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 219 | ILE | 0 | 0.011 | 0.011 | 33.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 220 | PHE | 0 | -0.010 | -0.015 | 33.821 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 221 | PHE | 0 | 0.005 | 0.014 | 38.053 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 222 | CYS | 0 | -0.058 | -0.022 | 39.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 223 | TYR | 0 | 0.056 | 0.011 | 39.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 224 | GLY | 0 | 0.015 | 0.020 | 41.938 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 225 | GLN | 0 | 0.014 | 0.005 | 43.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 226 | LEU | 0 | -0.016 | 0.012 | 45.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 227 | VAL | 0 | 0.001 | -0.012 | 45.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 228 | PHE | 0 | -0.029 | -0.002 | 47.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 229 | THR | 0 | 0.034 | 0.005 | 49.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 230 | VAL | 0 | -0.016 | -0.014 | 51.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 231 | LYS | 1 | 0.838 | 0.898 | 49.441 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 232 | GLU | -1 | -0.917 | -0.944 | 53.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 233 | ALA | 0 | 0.012 | -0.003 | 55.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 234 | ALA | 0 | -0.010 | -0.008 | 56.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 235 | ALA | 0 | 0.028 | 0.011 | 57.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 236 | GLN | 0 | 0.004 | 0.005 | 59.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 237 | GLN | 0 | -0.038 | -0.030 | 61.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 238 | GLN | 0 | -0.012 | -0.014 | 61.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 239 | GLU | -1 | -0.839 | -0.881 | 63.432 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 240 | SER | 0 | -0.003 | 0.019 | 62.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 241 | ALA | 0 | 0.067 | 0.011 | 62.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 242 | THR | 0 | -0.044 | -0.051 | 61.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 243 | THR | 0 | 0.011 | -0.003 | 58.090 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 244 | GLN | 0 | -0.028 | -0.012 | 57.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 245 | LYS | 1 | 0.796 | 0.875 | 56.603 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 246 | ALA | 0 | -0.011 | 0.008 | 54.934 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 247 | GLU | -1 | -0.786 | -0.858 | 51.591 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 248 | LYS | 1 | 0.895 | 0.945 | 50.564 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 249 | GLU | -1 | -0.811 | -0.884 | 50.420 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 250 | VAL | 0 | 0.023 | 0.018 | 48.332 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 251 | THR | 0 | 0.019 | -0.016 | 46.948 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 252 | ARG | 1 | 0.792 | 0.883 | 45.727 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 253 | MET | 0 | -0.020 | -0.011 | 43.775 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 254 | VAL | 0 | 0.035 | 0.021 | 42.023 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 255 | ILE | 0 | -0.001 | 0.002 | 40.973 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 256 | ILE | 0 | -0.003 | -0.005 | 39.781 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 257 | TYR | 0 | -0.012 | -0.017 | 38.532 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 258 | VAL | 0 | 0.012 | 0.017 | 36.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 259 | ILE | 0 | -0.003 | -0.006 | 34.934 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 260 | ALA | 0 | 0.004 | 0.002 | 33.997 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 261 | PHE | 0 | 0.026 | 0.016 | 29.832 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 262 | LEU | 0 | -0.001 | -0.009 | 30.416 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 263 | ILE | 0 | -0.001 | -0.007 | 29.051 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 264 | CYS | 0 | -0.025 | 0.014 | 27.658 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 265 | TRP | 0 | 0.003 | -0.003 | 24.435 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 266 | VAL | 0 | 0.022 | 0.020 | 24.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 267 | PRO | 0 | -0.008 | 0.024 | 23.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 268 | TYR | 0 | 0.021 | -0.019 | 18.284 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 269 | ALA | 0 | 0.003 | 0.015 | 19.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 270 | SER | 0 | -0.042 | -0.045 | 20.095 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 271 | VAL | 0 | 0.005 | 0.005 | 16.277 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 272 | ALA | 0 | 0.025 | 0.012 | 15.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 273 | PHE | 0 | -0.002 | 0.006 | 15.234 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 274 | TYR | 0 | -0.034 | -0.009 | 15.666 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 275 | ILE | 0 | -0.009 | -0.013 | 10.671 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 276 | PHE | 0 | -0.020 | -0.009 | 12.000 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 277 | THR | 0 | -0.043 | -0.035 | 13.201 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 278 | HIS | 0 | -0.053 | -0.019 | 13.251 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 279 | GLN | 0 | 0.006 | -0.004 | 7.777 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 280 | GLY | 0 | -0.012 | 0.006 | 7.139 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 281 | SER | 0 | -0.036 | -0.017 | 7.661 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 283 | PHE | 0 | 0.025 | 0.011 | 8.987 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 284 | GLY | 0 | 0.036 | 0.022 | 10.933 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 285 | PRO | 0 | 0.021 | 0.002 | 12.797 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 286 | ILE | 0 | 0.035 | 0.013 | 14.705 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 287 | PHE | 0 | -0.005 | 0.002 | 14.852 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 288 | MET | 0 | 0.045 | 0.025 | 10.131 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 289 | THR | 0 | -0.041 | -0.028 | 16.342 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 290 | ILE | 0 | 0.005 | 0.012 | 19.518 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 291 | PRO | 0 | -0.004 | -0.012 | 18.849 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 292 | ALA | 0 | -0.004 | 0.012 | 20.335 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 293 | PHE | 0 | 0.003 | 0.005 | 22.237 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 294 | PHE | 0 | 0.011 | 0.017 | 25.090 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 295 | ALA | 0 | 0.050 | 0.014 | 24.670 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 296 | LYS | 1 | 0.820 | 0.908 | 20.930 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 297 | SER | 0 | 0.030 | 0.000 | 27.468 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 298 | ALA | 0 | 0.012 | 0.009 | 29.827 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 299 | ALA | 0 | -0.001 | 0.010 | 30.780 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 300 | ILE | 0 | -0.067 | -0.016 | 32.553 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 301 | TYR | 0 | -0.013 | -0.028 | 31.816 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 302 | ASN | 0 | 0.043 | 0.017 | 32.473 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 303 | PRO | 0 | 0.044 | 0.024 | 36.161 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 304 | VAL | 0 | -0.017 | -0.009 | 39.092 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 305 | ILE | 0 | 0.002 | -0.017 | 37.592 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 306 | TYR | 0 | -0.001 | -0.007 | 36.606 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 307 | ILE | 0 | -0.033 | -0.006 | 41.336 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 308 | MET | 0 | -0.001 | 0.007 | 43.144 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 309 | MET | 0 | -0.016 | -0.001 | 43.063 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 310 | ASN | 0 | 0.039 | 0.049 | 45.954 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 311 | LYS | 1 | 0.886 | 0.940 | 47.600 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 312 | GLN | 0 | 0.022 | -0.005 | 50.915 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 313 | PHE | 0 | 0.040 | 0.021 | 46.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 314 | ARG | 1 | 0.878 | 0.942 | 48.834 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 315 | ASN | 0 | -0.032 | -0.016 | 50.337 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 316 | CYS | 0 | -0.016 | -0.004 | 51.870 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 317 | MET | 0 | 0.008 | 0.017 | 44.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 318 | LEU | 0 | 0.007 | 0.014 | 51.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 319 | THR | 0 | 0.031 | 0.011 | 53.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 320 | THR | 0 | -0.037 | -0.022 | 52.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 321 | ILE | 0 | 0.013 | 0.011 | 48.847 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 322 | CYS | 0 | -0.081 | -0.024 | 52.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 323 | CYS | 0 | -0.037 | -0.021 | 55.658 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 324 | GLY | 0 | 0.030 | 0.023 | 57.321 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 325 | LYS | 1 | 0.903 | 0.959 | 59.428 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 326 | ASN | 0 | -0.009 | -0.030 | 57.683 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 2012 | VAL | 0 | 0.030 | 0.018 | 89.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 2013 | ILE | 0 | -0.017 | -0.016 | 88.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 2014 | PHE | 0 | -0.017 | 0.004 | 82.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 2015 | LYS | 1 | 0.947 | 0.968 | 84.255 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 2016 | LYS | 1 | 0.825 | 0.920 | 74.729 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 2017 | VAL | 0 | 0.003 | 0.013 | 81.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 2018 | SER | 0 | -0.016 | -0.019 | 77.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 2019 | ARG | 1 | 0.964 | 0.975 | 70.949 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 2020 | ASP | -1 | -0.817 | -0.897 | 76.651 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 2021 | LYS | 1 | 0.915 | 0.945 | 78.324 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 2022 | SER | 0 | 0.052 | 0.043 | 80.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 2023 | VAL | 0 | 0.023 | 0.019 | 79.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 2024 | THR | 0 | -0.061 | -0.037 | 81.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 2025 | ILE | 0 | 0.008 | 0.022 | 79.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 2026 | TYR | 0 | 0.017 | -0.013 | 82.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 2027 | LEU | 0 | 0.030 | 0.009 | 80.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 2028 | GLY | 0 | 0.048 | 0.018 | 84.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 2029 | LYS | 1 | 0.822 | 0.903 | 84.135 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 2030 | ARG | 1 | 0.890 | 0.937 | 78.275 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 2031 | ASP | -1 | -0.769 | -0.848 | 80.009 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 2032 | TYR | 0 | -0.035 | -0.034 | 80.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 2033 | VAL | 0 | -0.002 | -0.007 | 80.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 2034 | ASP | -1 | -0.802 | -0.904 | 76.934 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 2035 | HIS | 0 | 0.023 | 0.013 | 80.385 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 2036 | VAL | 0 | 0.035 | 0.012 | 79.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 2037 | SER | 0 | 0.016 | 0.019 | 80.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 2038 | GLN | 0 | -0.024 | -0.019 | 81.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 2039 | VAL | 0 | 0.013 | 0.015 | 77.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 2040 | GLU | -1 | -0.822 | -0.878 | 81.199 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 2041 | PRO | 0 | -0.040 | -0.022 | 81.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 2042 | VAL | 0 | 0.022 | 0.008 | 78.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 2043 | ASP | -1 | -0.795 | -0.877 | 82.303 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 2044 | GLY | 0 | 0.015 | -0.001 | 85.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 2045 | VAL | 0 | -0.004 | 0.007 | 85.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 2046 | VAL | 0 | -0.041 | -0.026 | 81.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 2047 | LEU | 0 | 0.002 | 0.014 | 85.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 2048 | VAL | 0 | -0.022 | -0.028 | 83.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 2049 | ASP | -1 | -0.799 | -0.890 | 84.681 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 2050 | PRO | 0 | 0.046 | 0.013 | 85.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 2051 | GLU | -1 | -0.842 | -0.899 | 86.699 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 2052 | LEU | 0 | -0.046 | -0.030 | 81.785 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 2053 | VAL | 0 | -0.077 | -0.039 | 80.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 2054 | LYS | 1 | 0.854 | 0.919 | 82.707 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 2055 | GLY | 0 | 0.005 | -0.001 | 82.198 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 2056 | LYS | 1 | 0.763 | 0.880 | 77.007 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 2057 | LYS | 1 | 0.881 | 0.934 | 75.025 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 2058 | VAL | 0 | -0.017 | -0.010 | 78.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 2059 | TYR | 0 | 0.018 | 0.009 | 75.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 2060 | VAL | 0 | -0.011 | -0.008 | 77.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 2061 | THR | 0 | -0.035 | -0.040 | 72.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 2062 | LEU | 0 | 0.038 | 0.020 | 74.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 2063 | THR | 0 | -0.019 | 0.000 | 67.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 2064 | CYS | 0 | -0.026 | 0.012 | 69.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 2065 | ALA | 0 | 0.032 | 0.002 | 65.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 2066 | PHE | 0 | 0.053 | 0.023 | 61.414 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 2067 | ARG | 1 | 0.691 | 0.792 | 61.826 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 2068 | TYR | 0 | -0.004 | -0.034 | 55.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 2069 | GLY | 0 | 0.075 | 0.059 | 56.450 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 2070 | GLN | 0 | -0.084 | -0.044 | 55.987 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 2071 | GLU | -1 | -0.820 | -0.906 | 57.169 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 2072 | ASP | -1 | -0.786 | -0.895 | 56.655 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 2073 | ILE | 0 | 0.013 | 0.014 | 52.063 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 2074 | ASP | -1 | -0.747 | -0.875 | 51.780 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 2075 | VAL | 0 | -0.022 | -0.016 | 52.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 2076 | MET | 0 | -0.146 | -0.073 | 52.847 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 2077 | GLY | 0 | 0.056 | 0.044 | 48.871 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 2078 | LEU | 0 | -0.052 | -0.022 | 46.161 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 2079 | THR | 0 | 0.041 | 0.015 | 49.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 2080 | PHE | 0 | -0.028 | 0.000 | 53.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 2081 | ARG | 1 | 0.802 | 0.875 | 56.498 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 2082 | ARG | 1 | 0.880 | 0.947 | 58.796 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 2083 | ASP | -1 | -0.746 | -0.850 | 60.730 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 2084 | LEU | 0 | -0.012 | -0.004 | 63.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 2085 | TYR | 0 | 0.050 | 0.022 | 66.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 2086 | PHE | 0 | -0.002 | -0.007 | 68.107 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 2087 | SER | 0 | 0.010 | 0.014 | 70.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 2088 | ARG | 1 | 0.839 | 0.892 | 68.344 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 2089 | VAL | 0 | 0.048 | 0.027 | 74.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 2090 | GLN | 0 | -0.038 | -0.022 | 78.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 2091 | VAL | 0 | -0.037 | -0.024 | 80.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 2092 | TYR | 0 | -0.020 | 0.001 | 82.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 2093 | PRO | 0 | 0.060 | 0.008 | 82.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 2094 | PRO | 0 | 0.003 | 0.008 | 84.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 2095 | VAL | 0 | 0.001 | 0.006 | 82.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 2096 | GLY | 0 | 0.018 | 0.009 | 85.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 2097 | ALA | 0 | -0.056 | -0.022 | 87.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 2098 | MET | 0 | 0.014 | 0.008 | 87.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 2099 | SER | 0 | 0.019 | 0.008 | 89.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 2100 | VAL | 0 | -0.004 | 0.004 | 92.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 2101 | LEU | 0 | -0.004 | -0.001 | 90.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 2102 | THR | 0 | 0.009 | -0.027 | 89.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 2103 | GLN | 0 | 0.066 | 0.015 | 92.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 2104 | LEU | 0 | -0.039 | 0.003 | 87.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 2105 | GLN | 0 | -0.007 | -0.003 | 87.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 2106 | GLU | -1 | -0.824 | -0.906 | 91.560 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 2107 | SER | 0 | -0.026 | -0.011 | 94.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 2108 | LEU | 0 | -0.034 | -0.022 | 88.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 2109 | LEU | 0 | 0.017 | -0.001 | 91.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 2110 | LYS | 1 | 0.844 | 0.928 | 94.473 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 2111 | LYS | 1 | 0.871 | 0.936 | 95.202 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 2112 | LEU | 0 | -0.071 | -0.018 | 90.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 2113 | GLY | 0 | 0.036 | 0.019 | 93.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 2114 | ASP | -1 | -0.796 | -0.884 | 93.806 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 2115 | ASN | 0 | -0.054 | -0.013 | 89.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 2116 | THR | 0 | -0.024 | -0.047 | 88.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 2117 | TYR | 0 | -0.014 | -0.019 | 86.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 2118 | PRO | 0 | 0.006 | 0.002 | 86.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 2119 | PHE | 0 | -0.021 | -0.016 | 81.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 2120 | LEU | 0 | 0.020 | 0.002 | 83.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 2121 | LEU | 0 | -0.038 | -0.018 | 78.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 2122 | THR | 0 | 0.031 | 0.018 | 78.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 2123 | PHE | 0 | -0.009 | -0.016 | 75.288 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 2124 | PRO | 0 | -0.008 | 0.013 | 73.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 2125 | ASP | -1 | -0.785 | -0.900 | 75.774 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 2126 | TYR | 0 | -0.002 | 0.011 | 69.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 2127 | LEU | 0 | -0.028 | -0.017 | 70.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 2128 | PRO | 0 | 0.029 | 0.022 | 68.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 2129 | CYS | 0 | 0.035 | 0.029 | 71.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 2130 | SER | 0 | -0.093 | -0.048 | 71.113 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 2131 | VAL | 0 | 0.054 | 0.030 | 68.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 2132 | MET | 0 | -0.027 | -0.017 | 66.739 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 2133 | LEU | 0 | -0.005 | -0.007 | 61.606 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 2134 | GLN | 0 | -0.025 | -0.016 | 64.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 2135 | PRO | 0 | 0.019 | 0.013 | 62.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 2136 | ALA | 0 | 0.006 | 0.009 | 61.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 2137 | PRO | 0 | 0.038 | 0.024 | 62.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 2138 | GLN | 0 | 0.044 | 0.012 | 58.433 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 2139 | ASP | -1 | -0.810 | -0.859 | 57.917 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 2140 | VAL | 0 | -0.012 | -0.019 | 59.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 2141 | GLY | 0 | -0.032 | -0.021 | 58.359 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 2142 | LYS | 1 | 0.824 | 0.935 | 54.573 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 2143 | SER | 0 | 0.005 | 0.006 | 58.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 2144 | CYS | 0 | -0.079 | -0.045 | 60.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 2145 | GLY | 0 | 0.014 | 0.012 | 62.055 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 2146 | VAL | 0 | 0.011 | 0.024 | 64.797 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 2147 | ASP | -1 | -0.799 | -0.846 | 67.347 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 2148 | PHE | 0 | 0.059 | 0.027 | 69.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 2149 | GLU | -1 | -0.766 | -0.878 | 69.097 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 2150 | VAL | 0 | 0.056 | 0.035 | 72.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 2151 | LYS | 1 | 0.784 | 0.870 | 69.870 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 2152 | ALA | 0 | 0.048 | 0.051 | 75.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 2153 | PHE | 0 | -0.032 | -0.021 | 72.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 2154 | ALA | 0 | 0.059 | 0.043 | 76.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 2155 | SER | 0 | -0.029 | -0.028 | 73.049 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 2156 | ASP | -1 | -0.749 | -0.861 | 73.884 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 2157 | ILE | 0 | 0.015 | 0.014 | 68.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 2158 | THR | 0 | 0.002 | 0.011 | 70.083 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 2159 | ASP | -1 | -0.800 | -0.888 | 70.646 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 2160 | PRO | 0 | 0.034 | 0.014 | 67.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 2161 | GLU | -1 | -0.880 | -0.908 | 63.028 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 2162 | GLU | -1 | -0.875 | -0.926 | 65.617 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 2163 | ASP | -1 | -0.839 | -0.890 | 60.539 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 2164 | LYS | 1 | 0.781 | 0.873 | 60.079 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 2165 | ILE | 0 | 0.033 | 0.023 | 64.624 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 2166 | PRO | 0 | 0.023 | 0.001 | 67.738 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 2167 | LYS | 1 | 0.967 | 0.968 | 62.969 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 2168 | LYS | 1 | 0.834 | 0.913 | 69.815 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 2169 | SER | 0 | 0.018 | 0.010 | 73.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 2170 | SER | 0 | -0.036 | 0.010 | 71.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 2171 | VAL | 0 | -0.006 | -0.013 | 73.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 2172 | ARG | 1 | 0.879 | 0.937 | 68.337 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 2173 | LEU | 0 | -0.037 | -0.037 | 74.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 2174 | LEU | 0 | 0.000 | 0.024 | 72.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 2175 | ILE | 0 | -0.029 | -0.004 | 75.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 2176 | ARG | 1 | 0.768 | 0.839 | 75.167 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 2177 | LYS | 1 | 0.820 | 0.913 | 74.462 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 2178 | VAL | 0 | -0.007 | -0.019 | 76.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 2179 | GLN | 0 | 0.032 | 0.006 | 75.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 2180 | HIS | 0 | -0.009 | -0.004 | 79.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 2181 | ALA | 0 | 0.021 | 0.007 | 82.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 2182 | PRO | 0 | -0.036 | -0.013 | 82.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 2183 | PRO | 0 | -0.025 | -0.018 | 85.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 2184 | GLU | -1 | -0.941 | -0.955 | 87.480 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 2185 | MET | 0 | -0.067 | -0.025 | 85.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 2186 | GLY | 0 | 0.037 | 0.021 | 83.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 2187 | PRO | 0 | -0.006 | -0.014 | 83.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 2188 | GLN | 0 | -0.010 | -0.019 | 83.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 2189 | PRO | 0 | 0.002 | 0.016 | 79.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 2190 | SER | 0 | -0.027 | -0.024 | 81.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 2191 | ALA | 0 | -0.035 | -0.008 | 76.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 2192 | GLU | -1 | -0.834 | -0.890 | 78.162 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 2193 | ALA | 0 | -0.039 | -0.018 | 73.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 2194 | SER | 0 | 0.017 | -0.007 | 74.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 2195 | TRP | 0 | -0.046 | -0.026 | 70.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 2196 | GLN | 0 | -0.014 | -0.007 | 71.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 2197 | PHE | 0 | -0.035 | -0.028 | 68.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 2198 | PHE | 0 | -0.019 | -0.012 | 65.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 2199 | MET | 0 | -0.010 | 0.001 | 67.284 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 2200 | SER | 0 | 0.019 | 0.017 | 69.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 2201 | ASP | -1 | -0.771 | -0.878 | 72.849 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 2202 | LYS | 1 | 0.842 | 0.922 | 74.117 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 2203 | PRO | 0 | 0.025 | 0.023 | 75.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 2204 | LEU | 0 | -0.009 | -0.007 | 73.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 2205 | ASN | 0 | -0.006 | -0.003 | 76.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 2206 | LEU | 0 | -0.027 | -0.018 | 75.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 2207 | SER | 0 | 0.039 | 0.002 | 78.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 2208 | VAL | 0 | -0.033 | -0.017 | 77.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 2209 | SER | 0 | 0.032 | 0.016 | 80.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 2210 | LEU | 0 | -0.018 | 0.001 | 78.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 2211 | SER | 0 | -0.007 | -0.013 | 83.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 2212 | LYS | 1 | 0.825 | 0.884 | 84.525 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 2213 | GLU | -1 | -0.785 | -0.875 | 80.365 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 2214 | ILE | 0 | 0.000 | -0.009 | 80.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 2215 | TYR | 0 | 0.047 | 0.025 | 80.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 2216 | PHE | 0 | -0.018 | -0.015 | 81.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 2217 | HIS | 0 | -0.027 | -0.031 | 76.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 2218 | GLY | 0 | -0.010 | -0.004 | 80.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 2219 | GLU | -1 | -0.837 | -0.889 | 82.532 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 2220 | PRO | 0 | -0.038 | -0.028 | 82.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 2221 | ILE | 0 | 0.008 | 0.007 | 78.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 2222 | PRO | 0 | -0.031 | -0.009 | 81.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 2223 | VAL | 0 | 0.006 | -0.003 | 78.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 2224 | THR | 0 | -0.004 | 0.006 | 81.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 2225 | VAL | 0 | -0.006 | 0.006 | 78.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 2226 | THR | 0 | -0.024 | -0.016 | 82.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 2227 | VAL | 0 | 0.010 | -0.002 | 78.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 2228 | THR | 0 | 0.007 | -0.009 | 81.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 2229 | ASN | 0 | 0.010 | 0.018 | 78.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 2230 | ASN | 0 | -0.040 | -0.018 | 80.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 2231 | THR | 0 | -0.028 | -0.031 | 75.977 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 2232 | ASP | -1 | -0.847 | -0.947 | 75.479 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 2233 | LYS | 1 | 0.778 | 0.910 | 69.213 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 2234 | VAL | 0 | -0.003 | 0.002 | 74.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 2235 | VAL | 0 | 0.014 | 0.018 | 74.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 2236 | LYS | 1 | 0.933 | 0.958 | 71.435 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 2237 | LYS | 1 | 0.843 | 0.911 | 71.313 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 2238 | ILE | 0 | 0.026 | 0.021 | 74.307 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 2239 | LYS | 1 | 0.858 | 0.923 | 69.754 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 2240 | VAL | 0 | 0.028 | 0.017 | 73.839 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 2241 | SER | 0 | 0.028 | -0.013 | 70.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 2242 | VAL | 0 | 0.005 | 0.030 | 72.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 2243 | GLU | -1 | -0.795 | -0.926 | 67.632 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 2244 | GLN | 0 | 0.026 | 0.017 | 68.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 2245 | ILE | 0 | -0.021 | -0.021 | 64.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 2246 | ALA | 0 | 0.026 | 0.010 | 63.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 2247 | ASN | 0 | 0.011 | -0.003 | 62.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 2248 | VAL | 0 | -0.003 | -0.007 | 59.810 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 2249 | VAL | 0 | 0.022 | 0.021 | 60.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 2250 | LEU | 0 | -0.077 | -0.033 | 57.424 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 2251 | TYR | 0 | -0.007 | -0.005 | 54.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 2252 | SER | 0 | 0.045 | 0.015 | 55.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 2253 | SER | 0 | -0.016 | -0.020 | 57.143 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 2254 | ASP | -1 | -0.799 | -0.859 | 55.624 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 2255 | TYR | 0 | 0.048 | 0.022 | 58.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 2256 | TYR | 0 | -0.073 | -0.066 | 56.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 2257 | VAL | 0 | 0.034 | 0.025 | 61.197 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 2258 | LYS | 1 | 0.852 | 0.924 | 61.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 2259 | PRO | 0 | 0.033 | 0.033 | 64.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 2260 | VAL | 0 | -0.006 | -0.004 | 67.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 2261 | ALA | 0 | 0.038 | 0.027 | 70.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 2262 | SER | 0 | -0.071 | -0.049 | 71.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 2263 | GLU | -1 | -0.866 | -0.901 | 73.253 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 2264 | GLU | -1 | -0.849 | -0.918 | 72.107 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 2265 | THR | 0 | -0.015 | -0.032 | 76.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 2266 | GLN | 0 | 0.033 | -0.006 | 75.195 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 2267 | GLU | -1 | -0.829 | -0.856 | 78.329 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 2268 | LYS | 1 | 0.920 | 0.963 | 78.313 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 2269 | VAL | 0 | -0.009 | -0.007 | 78.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 2270 | GLN | 0 | 0.040 | 0.017 | 79.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 2271 | PRO | 0 | 0.083 | 0.036 | 79.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 2272 | ASN | 0 | -0.036 | -0.003 | 81.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 2273 | SER | 0 | -0.015 | -0.001 | 83.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 2274 | THR | 0 | -0.014 | -0.010 | 83.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 2275 | LEU | 0 | -0.019 | -0.005 | 81.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 2276 | THR | 0 | 0.006 | -0.009 | 84.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 2277 | LYS | 1 | 0.815 | 0.904 | 83.198 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 2278 | THR | 0 | 0.014 | -0.004 | 84.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 2279 | LEU | 0 | -0.024 | -0.004 | 79.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 2280 | VAL | 0 | 0.021 | 0.004 | 81.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 2281 | LEU | 0 | 0.003 | 0.014 | 75.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 2282 | VAL | 0 | 0.042 | 0.007 | 78.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 2283 | PRO | 0 | -0.020 | 0.013 | 75.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 2284 | LEU | 0 | 0.063 | 0.018 | 75.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 2285 | LEU | 0 | 0.016 | 0.007 | 72.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 2286 | ALA | 0 | -0.007 | -0.007 | 73.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 2287 | ASN | 0 | 0.012 | 0.007 | 73.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 2288 | ASN | 0 | -0.062 | -0.046 | 70.159 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 2289 | ARG | 1 | 0.856 | 0.918 | 69.197 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 2290 | GLU | -1 | -0.853 | -0.943 | 65.851 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 2291 | ARG | 1 | 0.780 | 0.891 | 64.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 2292 | ARG | 1 | 0.840 | 0.873 | 56.352 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 2293 | GLY | 0 | 0.001 | -0.002 | 61.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 2294 | ILE | 0 | -0.020 | -0.002 | 62.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 2295 | ALA | 0 | 0.032 | 0.026 | 66.200 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 2296 | LEU | 0 | -0.028 | -0.023 | 67.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 2297 | ASP | -1 | -0.660 | -0.784 | 70.734 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 2298 | GLY | 0 | -0.019 | -0.003 | 71.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 2299 | LYS | 1 | 0.823 | 0.916 | 71.212 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 2300 | ILE | 0 | -0.046 | -0.014 | 73.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 2301 | LYS | 1 | 0.936 | 0.939 | 73.477 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 2302 | HIS | 0 | 0.009 | 0.006 | 68.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 2303 | GLU | -1 | -0.779 | -0.880 | 73.226 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 2304 | ASP | -1 | -0.810 | -0.885 | 74.927 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 2305 | THR | 0 | -0.019 | -0.012 | 73.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 2306 | ASN | 0 | -0.035 | -0.031 | 75.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 2307 | LEU | 0 | 0.006 | -0.011 | 71.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 2308 | ALA | 0 | -0.007 | 0.008 | 70.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 2309 | SER | 0 | 0.025 | -0.002 | 72.811 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 2310 | SER | 0 | -0.060 | -0.029 | 73.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 2311 | THR | 0 | -0.032 | -0.010 | 71.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 2312 | ILE | 0 | -0.014 | -0.004 | 73.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 2313 | ILE | 0 | -0.003 | -0.007 | 70.350 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 2314 | LYS | 1 | 0.839 | 0.913 | 74.859 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 2315 | GLU | -1 | -0.919 | -0.964 | 75.761 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 2316 | GLY | 0 | -0.022 | -0.018 | 75.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 2317 | ILE | 0 | -0.033 | -0.007 | 72.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 2318 | ASP | -1 | -0.890 | -0.941 | 71.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 2319 | ARG | 1 | 0.763 | 0.863 | 68.737 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 2320 | THR | 0 | 0.013 | 0.005 | 63.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 2321 | VAL | 0 | 0.012 | 0.010 | 67.379 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 2322 | MET | 0 | -0.015 | 0.011 | 62.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 2323 | GLY | 0 | 0.030 | -0.014 | 64.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 2324 | ILE | 0 | -0.056 | -0.023 | 63.655 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 2325 | LEU | 0 | -0.002 | 0.019 | 65.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 2326 | VAL | 0 | -0.031 | -0.024 | 67.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 2327 | SER | 0 | 0.054 | 0.032 | 69.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 2328 | TYR | 0 | -0.044 | -0.038 | 70.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 2329 | HIS | 0 | 0.009 | 0.007 | 67.899 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 2330 | ILE | 0 | -0.005 | 0.001 | 73.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 2331 | LYS | 1 | 0.829 | 0.918 | 66.299 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 2332 | VAL | 0 | -0.012 | 0.001 | 71.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 2333 | LYS | 1 | 0.818 | 0.891 | 67.598 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 2334 | LEU | 0 | 0.013 | 0.004 | 71.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 2335 | THR | 0 | -0.012 | -0.014 | 68.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 2336 | VAL | 0 | -0.025 | -0.019 | 70.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 2337 | SER | 0 | -0.058 | -0.030 | 69.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 2338 | GLY | 0 | 0.068 | 0.038 | 68.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 2339 | PHE | 0 | -0.020 | -0.033 | 69.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 2340 | LEU | 0 | -0.027 | -0.010 | 68.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 2341 | GLY | 0 | 0.000 | -0.005 | 66.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 2342 | GLU | -1 | -0.761 | -0.883 | 64.436 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 2343 | LEU | 0 | -0.059 | 0.000 | 63.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 2344 | THR | 0 | -0.002 | -0.007 | 61.741 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 2345 | SER | 0 | -0.013 | -0.024 | 63.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 2346 | SER | 0 | -0.032 | -0.007 | 65.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 2347 | GLU | -1 | -0.847 | -0.904 | 64.905 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 2348 | VAL | 0 | -0.017 | 0.011 | 66.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 2349 | ALA | 0 | 0.006 | -0.013 | 67.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 2350 | THR | 0 | -0.004 | 0.002 | 69.668 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 2351 | GLU | -1 | -0.882 | -0.931 | 67.775 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 2352 | VAL | 0 | 0.032 | 0.019 | 72.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 2353 | PRO | 0 | -0.001 | -0.009 | 73.045 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 2354 | PHE | 0 | -0.016 | -0.005 | 75.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 2355 | ARG | 1 | 0.881 | 0.925 | 76.158 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 2356 | LEU | 0 | -0.012 | -0.002 | 76.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 2357 | MET | 0 | -0.025 | -0.005 | 77.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 2358 | HIS | 0 | 0.044 | 0.017 | 78.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 2359 | PRO | 0 | -0.002 | 0.001 | 82.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 2360 | GLN | 0 | 0.047 | 0.021 | 86.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 2361 | PRO | 0 | -0.046 | -0.011 | 87.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |