FMODB ID: LJQG9
Calculation Name: 3inb-AC-Docking371-PPRV-CD46: pose 6
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 3INB
Chain ID: AC
UniProt ID: P08362
Base Structure: Docking
Registration Date: 2023-03-09
Reference:
Modeling method
Optimization | BaseStructure_original |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 536 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -11146519.291698 |
---|---|
FMO2-HF: Nuclear repulsion | 10927667.3915 |
FMO2-HF: Total energy | -218851.900198 |
FMO2-MP2: Total energy | -219477.562779 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy (frag 1-122 : frag 123-536)
"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. |
272.0709 | 333.8097 | 49.5519 | -36.3118 | -74.9789 | -0.0510 |
Interactive mode: IFIE and PIEDA for fragment #1(C:1:CYS)
Summations of interaction energy for
fragment #1(C:1:CYS)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-185.011 | -167.119 | 38.463 | -20.717 | -35.636 | -0.128 |
Interaction energy analysis for fragmet #1(C:1:CYS)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | C | 3 | GLU | -1 | -0.809 | -0.928 | 3.354 | -46.298 | -44.187 | 0.026 | -0.997 | -1.141 | -0.003 |
4 | C | 4 | PRO | 0 | -0.045 | -0.018 | 3.634 | 3.207 | 3.497 | 0.001 | -0.054 | -0.236 | 0.000 |
19 | C | 19 | TYR | 0 | 0.072 | 0.029 | 2.187 | -9.636 | -7.488 | 1.855 | -1.574 | -2.429 | -0.018 |
20 | C | 20 | TYR | 0 | -0.039 | -0.013 | 2.713 | 7.316 | 9.059 | 0.341 | -0.406 | -1.678 | -0.001 |
21 | C | 21 | GLU | -1 | -0.898 | -0.961 | 3.528 | -41.193 | -39.083 | 0.726 | -1.168 | -1.668 | -0.011 |
22 | C | 22 | ILE | 0 | -0.071 | -0.042 | 2.326 | -12.288 | -10.208 | 4.636 | -2.380 | -4.336 | -0.028 |
23 | C | 23 | GLY | 0 | -0.025 | -0.007 | 3.283 | 4.318 | 5.113 | 0.012 | -0.176 | -0.631 | 0.000 |
24 | C | 24 | GLU | -1 | -0.894 | -0.925 | 3.458 | -36.862 | -35.914 | 0.008 | -0.241 | -0.716 | -0.001 |
25 | C | 25 | ARG | 1 | 0.817 | 0.870 | 1.915 | 7.951 | 6.137 | 6.550 | -1.894 | -2.842 | -0.039 |
26 | C | 26 | VAL | 0 | -0.012 | 0.004 | 4.137 | 4.611 | 4.799 | -0.001 | -0.007 | -0.180 | 0.000 |
43 | C | 43 | HIS | 0 | -0.052 | -0.032 | 5.802 | -2.741 | -2.714 | -0.002 | 0.000 | -0.025 | 0.000 |
44 | C | 44 | THR | 0 | 0.028 | 0.022 | 3.886 | 0.718 | 3.083 | -0.021 | -1.115 | -1.228 | -0.005 |
47 | C | 48 | ARG | 1 | 0.915 | 0.926 | 3.823 | 16.400 | 19.535 | 0.060 | -1.388 | -1.806 | 0.006 |
49 | C | 50 | HIS | 0 | -0.026 | -0.006 | 2.074 | -11.339 | -15.087 | 13.330 | -3.818 | -5.763 | -0.021 |
50 | C | 51 | THR | 0 | -0.075 | -0.035 | 4.452 | -5.568 | -5.051 | 0.008 | -0.113 | -0.412 | -0.001 |
51 | C | 52 | TRP | 0 | 0.004 | 0.013 | 2.249 | -8.745 | -3.974 | 10.937 | -5.335 | -10.374 | -0.006 |
52 | C | 53 | LEU | 0 | 0.019 | -0.009 | 4.791 | -1.846 | -1.839 | -0.002 | -0.011 | 0.006 | 0.000 |
53 | C | 54 | PRO | 0 | -0.051 | -0.033 | 4.239 | 0.223 | 0.442 | -0.001 | -0.040 | -0.177 | 0.000 |
5 | C | 5 | PRO | 0 | 0.015 | 0.006 | 5.752 | 3.279 | 3.279 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | C | 6 | THR | 0 | -0.018 | 0.004 | 8.908 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | C | 7 | PHE | 0 | 0.018 | 0.018 | 10.944 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | C | 8 | GLU | -1 | -0.888 | -0.954 | 15.493 | -13.246 | -13.246 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | C | 9 | ALA | 0 | 0.080 | 0.060 | 17.419 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | C | 10 | MET | 0 | -0.027 | 0.012 | 11.813 | 0.545 | 0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | C | 11 | GLU | -1 | -0.888 | -0.929 | 16.086 | -15.146 | -15.146 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | C | 12 | LEU | 0 | 0.025 | 0.008 | 9.838 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | C | 13 | ILE | 0 | -0.013 | 0.006 | 10.683 | 1.366 | 1.366 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | C | 14 | GLY | 0 | -0.049 | -0.027 | 14.561 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | C | 15 | LYS | 1 | 0.878 | 0.923 | 14.062 | 17.504 | 17.504 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | C | 16 | PRO | 0 | 0.047 | 0.049 | 8.782 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | C | 17 | LYS | 1 | 0.860 | 0.918 | 9.623 | 25.862 | 25.862 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | C | 18 | PRO | 0 | -0.073 | -0.016 | 7.973 | 1.735 | 1.735 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | C | 27 | ASP | -1 | -0.813 | -0.889 | 6.300 | -23.453 | -23.453 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | C | 28 | TYR | 0 | 0.001 | -0.030 | 8.877 | 0.657 | 0.657 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | C | 29 | LYS | 1 | 0.808 | 0.912 | 11.566 | 16.222 | 16.222 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | C | 30 | CYS | 0 | -0.038 | -0.037 | 15.305 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | C | 31 | LYS | 1 | 0.824 | 0.910 | 17.877 | 16.108 | 16.108 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | C | 32 | LYS | 1 | 0.917 | 0.949 | 20.896 | 10.934 | 10.934 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | C | 33 | GLY | 0 | 0.033 | 0.018 | 24.411 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | C | 34 | TYR | 0 | -0.039 | -0.013 | 21.283 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | C | 35 | PHE | 0 | -0.021 | -0.001 | 21.750 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | C | 36 | TYR | 0 | -0.053 | -0.049 | 14.711 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | C | 37 | ILE | 0 | 0.014 | 0.022 | 19.036 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | C | 38 | PRO | 0 | -0.037 | -0.004 | 17.995 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | C | 39 | PRO | 0 | 0.020 | -0.011 | 16.900 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | C | 40 | LEU | 0 | 0.023 | 0.016 | 14.373 | -0.603 | -0.603 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | C | 41 | ALA | 0 | 0.004 | 0.007 | 9.054 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | C | 42 | THR | 0 | 0.060 | 0.028 | 10.331 | -0.639 | -0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | C | 49 | ASN | 0 | -0.029 | 0.002 | 6.959 | 3.724 | 3.724 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | C | 55 | VAL | 0 | 0.017 | 0.007 | 7.371 | -0.961 | -0.961 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | C | 56 | SER | 0 | -0.045 | 0.007 | 10.278 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | C | 57 | ASP | -1 | -0.842 | -0.946 | 13.380 | -16.366 | -16.366 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | C | 58 | ASP | -1 | -0.909 | -0.955 | 16.012 | -13.843 | -13.843 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | C | 59 | ALA | 0 | -0.006 | -0.001 | 15.271 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | C | 61 | TYR | 0 | 0.042 | 0.027 | 18.910 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | C | 62 | ARG | 1 | 0.865 | 0.923 | 22.628 | 11.057 | 11.057 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | C | 63 | GLU | -1 | -0.886 | -0.946 | 25.540 | -9.743 | -9.743 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | C | 64 | THR | 0 | -0.024 | -0.025 | 28.158 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | C | 65 | CYS | 0 | -0.040 | 0.024 | 31.280 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | C | 66 | PRO | 0 | -0.044 | -0.028 | 34.946 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | C | 67 | TYR | 0 | 0.032 | 0.007 | 37.489 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | C | 68 | ILE | 0 | -0.013 | 0.001 | 39.158 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | C | 69 | ARG | 1 | 0.934 | 0.978 | 42.440 | 6.173 | 6.173 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | C | 70 | ASP | -1 | -0.837 | -0.921 | 45.239 | -6.470 | -6.470 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | C | 71 | PRO | 0 | 0.012 | 0.018 | 47.525 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | C | 72 | LEU | 0 | -0.001 | -0.020 | 50.675 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | C | 73 | ASN | 0 | -0.031 | -0.019 | 54.290 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | C | 74 | GLY | 0 | 0.043 | 0.004 | 52.014 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | C | 75 | GLN | 0 | -0.048 | -0.006 | 47.403 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | C | 76 | ALA | 0 | 0.008 | -0.013 | 44.034 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | C | 77 | VAL | 0 | 0.024 | 0.019 | 42.248 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | C | 78 | PRO | 0 | 0.033 | 0.005 | 37.681 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | C | 79 | ALA | 0 | -0.019 | -0.001 | 38.971 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | C | 80 | ASN | 0 | -0.075 | -0.053 | 34.712 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | C | 81 | GLY | 0 | 0.013 | 0.014 | 34.588 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | C | 82 | THR | 0 | -0.042 | -0.045 | 30.676 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | C | 83 | TYR | 0 | 0.055 | 0.017 | 33.110 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | C | 84 | GLU | -1 | -0.840 | -0.873 | 27.992 | -10.190 | -10.190 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | C | 85 | PHE | 0 | 0.068 | 0.005 | 25.459 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | C | 86 | GLY | 0 | -0.058 | -0.024 | 31.046 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | C | 87 | TYR | 0 | -0.022 | 0.006 | 28.927 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | C | 88 | GLN | 0 | -0.011 | -0.020 | 35.032 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | C | 89 | MET | 0 | -0.017 | 0.019 | 38.673 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | C | 90 | HIS | 0 | -0.027 | -0.025 | 41.337 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | C | 91 | PHE | 0 | 0.012 | -0.002 | 44.532 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | C | 92 | ILE | 0 | 0.010 | 0.015 | 47.373 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | C | 93 | CYS | 0 | -0.040 | 0.003 | 50.466 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | C | 94 | ASN | 0 | -0.005 | 0.000 | 53.939 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | C | 95 | GLU | -1 | -0.917 | -0.963 | 55.947 | -5.070 | -5.070 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | C | 96 | GLY | 0 | -0.036 | -0.021 | 59.084 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | C | 97 | TYR | 0 | -0.063 | -0.045 | 57.711 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | C | 98 | TYR | 0 | -0.061 | -0.027 | 57.527 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | C | 99 | LEU | 0 | 0.054 | 0.021 | 50.758 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | C | 100 | ILE | 0 | -0.039 | -0.013 | 55.160 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | C | 101 | GLY | 0 | 0.001 | -0.004 | 52.365 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | C | 102 | GLU | -1 | -0.956 | -0.983 | 47.474 | -6.571 | -6.571 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | C | 103 | GLU | -1 | -0.920 | -0.965 | 48.429 | -6.269 | -6.269 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | C | 104 | ILE | 0 | -0.031 | -0.020 | 42.746 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | C | 105 | LEU | 0 | -0.017 | 0.018 | 42.204 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | C | 106 | TYR | 0 | 0.034 | 0.010 | 38.219 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | C | 108 | GLU | -1 | -0.811 | -0.903 | 34.516 | -8.429 | -8.429 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | C | 109 | LEU | 0 | 0.038 | 0.023 | 27.930 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | C | 110 | LYS | 1 | 0.839 | 0.916 | 31.902 | 7.985 | 7.985 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | C | 111 | GLY | 0 | -0.016 | -0.025 | 32.724 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | C | 112 | SER | 0 | -0.105 | -0.073 | 28.757 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | C | 113 | VAL | 0 | 0.051 | 0.047 | 28.950 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | C | 114 | ALA | 0 | 0.020 | 0.014 | 31.238 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | C | 115 | ILE | 0 | -0.049 | -0.032 | 32.989 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | C | 116 | TRP | 0 | 0.029 | 0.002 | 36.855 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | C | 117 | SER | 0 | -0.008 | -0.017 | 39.371 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | C | 118 | GLY | 0 | 0.030 | 0.013 | 41.704 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | C | 119 | LYS | 1 | 0.847 | 0.927 | 44.472 | 6.556 | 6.556 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | C | 120 | PRO | 0 | 0.066 | 0.031 | 45.328 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | C | 121 | PRO | 0 | -0.059 | -0.001 | 47.713 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | C | 122 | ILE | 0 | -0.004 | -0.007 | 51.099 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | C | 124 | GLU | -1 | -0.889 | -0.927 | 55.748 | -5.048 | -5.048 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | C | 125 | LYS | 1 | 0.878 | 0.936 | 59.491 | 4.748 | 4.748 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | C | 126 | VAL | -1 | -0.942 | -0.966 | 62.227 | -4.667 | -4.667 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 606 | CYS | 0 | -0.053 | -0.022 | 29.375 | -1.121 | -1.121 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 189 | LEU | 0 | 0.065 | 0.031 | 36.096 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 190 | GLY | 0 | 0.042 | 0.023 | 36.021 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 191 | ARG | 1 | 0.937 | 0.955 | 33.631 | 8.444 | 8.444 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 192 | THR | 0 | 0.026 | 0.018 | 33.009 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 193 | ILE | 0 | -0.019 | -0.019 | 27.489 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 194 | THR | 0 | 0.026 | 0.028 | 29.533 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 195 | ARG | 1 | 0.914 | 0.958 | 19.858 | 11.445 | 11.445 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 196 | ALA | 0 | 0.050 | 0.022 | 25.279 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 197 | HIS | 0 | -0.045 | -0.019 | 19.193 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 198 | PHE | 0 | 0.030 | 0.017 | 23.043 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 199 | SER | 0 | -0.020 | -0.022 | 22.760 | -0.538 | -0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 200 | GLU | -1 | -0.841 | -0.917 | 23.996 | -9.388 | -9.388 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 201 | LEU | 0 | -0.074 | -0.036 | 20.929 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 202 | THR | 0 | 0.001 | -0.018 | 25.388 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 203 | LEU | 0 | -0.035 | -0.023 | 27.987 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 204 | THR | 0 | -0.014 | -0.009 | 30.902 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 205 | LEU | 0 | -0.005 | 0.003 | 33.880 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 206 | MET | 0 | 0.006 | 0.018 | 36.452 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 207 | ASP | -1 | -0.822 | -0.911 | 31.850 | -8.125 | -8.125 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 208 | LEU | 0 | 0.045 | 0.028 | 31.327 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 209 | ASP | -1 | -0.839 | -0.939 | 33.447 | -7.154 | -7.154 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 210 | LEU | 0 | -0.030 | -0.025 | 34.849 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 211 | GLU | -1 | -1.006 | -0.991 | 28.070 | -9.315 | -9.315 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 212 | MET | 0 | -0.055 | -0.037 | 32.125 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 213 | LYS | 1 | 0.846 | 0.936 | 33.552 | 8.136 | 8.136 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 214 | HIS | 0 | 0.035 | 0.035 | 36.417 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 215 | ASN | 0 | -0.015 | -0.014 | 39.650 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 216 | VAL | 0 | -0.027 | -0.012 | 39.420 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 217 | SER | 0 | 0.022 | -0.013 | 42.262 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 218 | SER | 0 | -0.042 | -0.026 | 44.724 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 219 | VAL | 0 | 0.013 | 0.013 | 40.698 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 220 | LEU | 0 | -0.065 | -0.030 | 44.164 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 221 | THR | 0 | -0.003 | -0.007 | 39.150 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 222 | VAL | 0 | -0.003 | -0.007 | 41.230 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 223 | VAL | 0 | 0.009 | 0.012 | 36.376 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 224 | GLU | -1 | -0.859 | -0.935 | 39.752 | -6.173 | -6.173 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 225 | GLU | -1 | -0.899 | -0.955 | 40.566 | -6.256 | -6.256 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 226 | GLY | 0 | -0.059 | -0.031 | 36.946 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 227 | LEU | 0 | -0.066 | -0.023 | 36.304 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 228 | PHE | 0 | -0.003 | 0.004 | 34.574 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 229 | GLY | 0 | 0.037 | 0.019 | 39.157 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 230 | ARG | 1 | 0.809 | 0.895 | 36.346 | 7.077 | 7.077 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 231 | THR | 0 | -0.029 | -0.011 | 42.767 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 232 | TYR | 0 | -0.045 | -0.025 | 39.881 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 233 | THR | 0 | 0.018 | 0.011 | 44.815 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 234 | VAL | 0 | 0.008 | 0.005 | 41.956 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 235 | TRP | 0 | 0.031 | 0.018 | 44.107 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 236 | ARG | 1 | 0.827 | 0.884 | 41.796 | 6.382 | 6.382 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 237 | SER | 0 | 0.047 | 0.042 | 44.582 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 238 | ASP | -1 | -0.819 | -0.895 | 44.272 | -6.226 | -6.226 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 239 | ALA | 0 | -0.035 | -0.026 | 46.299 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 240 | ARG | 1 | 0.845 | 0.910 | 49.232 | 5.653 | 5.653 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 241 | ASP | -1 | -0.914 | -0.957 | 44.243 | -6.573 | -6.573 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 242 | PRO | 0 | -0.031 | 0.022 | 47.110 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 243 | SER | 0 | 0.015 | -0.013 | 44.405 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 244 | THR | 0 | 0.027 | 0.013 | 44.777 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 245 | ASP | -1 | -0.910 | -0.938 | 47.433 | -5.865 | -5.865 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 246 | LEU | 0 | -0.018 | 0.005 | 51.143 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 247 | GLY | 0 | 0.004 | -0.019 | 53.339 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 248 | ILE | 0 | -0.054 | -0.036 | 52.452 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 249 | GLY | 0 | 0.066 | 0.033 | 49.337 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 250 | HIS | 0 | -0.057 | -0.029 | 48.933 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 251 | PHE | 0 | 0.038 | 0.012 | 48.448 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 252 | LEU | 0 | -0.026 | -0.005 | 46.849 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 253 | ARG | 1 | 0.827 | 0.916 | 47.368 | 5.756 | 5.756 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 254 | VAL | 0 | 0.011 | 0.014 | 42.146 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 255 | PHE | 0 | 0.010 | -0.011 | 45.297 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 256 | GLU | -1 | -0.752 | -0.899 | 37.669 | -7.199 | -7.199 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 257 | ILE | 0 | 0.000 | -0.002 | 40.997 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 258 | GLY | 0 | 0.042 | 0.018 | 37.208 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 259 | LEU | 0 | -0.043 | -0.012 | 35.203 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 260 | VAL | 0 | 0.026 | 0.015 | 31.215 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 261 | ARG | 1 | 0.882 | 0.937 | 29.570 | 7.786 | 7.786 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 262 | ASP | -1 | -0.850 | -0.923 | 24.679 | -9.994 | -9.994 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 263 | LEU | 0 | -0.019 | -0.021 | 24.363 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 264 | GLY | 0 | -0.033 | -0.015 | 21.943 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 265 | LEU | 0 | -0.012 | -0.011 | 19.383 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 266 | GLY | 0 | -0.027 | 0.002 | 19.234 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 267 | PRO | 0 | -0.030 | -0.016 | 20.867 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 268 | PRO | 0 | -0.035 | -0.009 | 23.928 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 269 | VAL | 0 | 0.009 | 0.002 | 25.370 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 270 | PHE | 0 | 0.026 | 0.020 | 28.199 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 271 | HIS | 0 | 0.005 | 0.011 | 31.322 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 272 | MET | 0 | -0.003 | 0.015 | 33.050 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 273 | THR | 0 | -0.116 | -0.093 | 36.356 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 274 | ASN | 0 | -0.056 | -0.040 | 38.726 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 275 | TYR | 0 | 0.014 | -0.001 | 41.436 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 276 | LEU | 0 | 0.010 | 0.024 | 43.367 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 277 | THR | 0 | 0.008 | 0.003 | 45.170 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 278 | VAL | 0 | 0.016 | 0.005 | 47.166 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 279 | ASN | 0 | 0.032 | 0.018 | 50.389 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 280 | MET | 0 | -0.075 | -0.011 | 50.184 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 281 | SER | 0 | -0.022 | -0.021 | 54.089 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 282 | ASP | -1 | -0.830 | -0.915 | 55.616 | -5.099 | -5.099 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 283 | ASP | -1 | -0.857 | -0.931 | 50.749 | -5.597 | -5.597 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 284 | TYR | 0 | 0.014 | 0.003 | 51.940 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 285 | ARG | 1 | 0.788 | 0.891 | 53.401 | 5.181 | 5.181 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 286 | ARG | 1 | 0.861 | 0.928 | 51.409 | 5.159 | 5.159 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 287 | CYS | 0 | -0.079 | -0.039 | 49.946 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 288 | LEU | 0 | -0.004 | 0.014 | 50.744 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 289 | LEU | 0 | -0.012 | -0.002 | 44.119 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 290 | ALA | 0 | -0.026 | 0.000 | 48.487 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 291 | VAL | 0 | 0.028 | 0.005 | 43.523 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 292 | GLY | 0 | 0.072 | 0.036 | 46.034 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 293 | GLU | -1 | -0.799 | -0.890 | 46.860 | -5.339 | -5.339 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 294 | LEU | 0 | -0.031 | -0.020 | 44.030 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 295 | LYS | 1 | 0.786 | 0.886 | 45.247 | 5.424 | 5.424 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 296 | LEU | 0 | 0.021 | 0.018 | 44.314 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 297 | THR | 0 | -0.010 | -0.009 | 47.051 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 298 | ALA | 0 | -0.021 | -0.006 | 48.955 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 299 | LEU | 0 | 0.003 | 0.006 | 50.879 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 301 | THR | 0 | 0.027 | 0.004 | 54.859 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 302 | SER | 0 | 0.010 | 0.013 | 56.068 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 303 | SER | 0 | 0.011 | 0.011 | 58.061 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 304 | GLU | -1 | -0.832 | -0.911 | 57.141 | -5.129 | -5.129 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 305 | THR | 0 | -0.006 | -0.005 | 59.283 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 306 | VAL | 0 | 0.006 | 0.014 | 61.232 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 307 | THR | 0 | 0.008 | -0.005 | 64.020 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 308 | LEU | 0 | 0.010 | 0.013 | 66.261 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 309 | SER | 0 | -0.024 | -0.020 | 69.392 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 310 | GLU | -1 | -0.900 | -0.944 | 72.603 | -3.830 | -3.830 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 311 | ARG | 1 | 0.941 | 0.938 | 76.088 | 3.723 | 3.723 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 312 | GLY | 0 | 0.019 | 0.016 | 78.843 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 313 | VAL | 0 | 0.012 | 0.007 | 74.324 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 314 | PRO | 0 | -0.078 | -0.045 | 75.938 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 315 | LYS | 1 | 0.915 | 0.967 | 71.870 | 3.973 | 3.973 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 316 | ARG | 1 | 0.890 | 0.937 | 67.790 | 4.280 | 4.280 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 317 | GLU | -1 | -0.847 | -0.902 | 64.929 | -4.393 | -4.393 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 318 | PRO | 0 | -0.040 | -0.016 | 62.973 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 319 | LEU | 0 | -0.017 | -0.003 | 58.526 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 320 | VAL | 0 | -0.017 | -0.017 | 55.644 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 321 | VAL | 0 | 0.004 | 0.007 | 55.289 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 322 | VAL | 0 | 0.024 | 0.012 | 50.354 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 323 | ILE | 0 | 0.009 | 0.006 | 50.928 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 324 | LEU | 0 | 0.009 | 0.005 | 44.939 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 325 | ASN | 0 | 0.009 | -0.006 | 46.005 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 326 | LEU | 0 | 0.054 | 0.022 | 40.785 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 327 | ALA | 0 | -0.006 | 0.017 | 41.442 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 328 | GLY | 0 | 0.056 | 0.030 | 43.288 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 329 | PRO | 0 | -0.053 | -0.014 | 45.784 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 330 | THR | 0 | -0.009 | -0.030 | 49.187 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 331 | LEU | 0 | 0.007 | 0.002 | 51.966 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 332 | GLY | 0 | -0.014 | 0.015 | 50.719 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 333 | GLY | 0 | -0.009 | -0.008 | 51.547 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 334 | GLU | -1 | -0.934 | -0.965 | 53.686 | -5.315 | -5.315 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 335 | LEU | 0 | -0.013 | -0.012 | 55.882 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 336 | TYR | 0 | -0.029 | -0.007 | 58.005 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 337 | SER | 0 | -0.043 | -0.023 | 60.642 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 338 | VAL | 0 | 0.042 | 0.006 | 62.312 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 339 | LEU | 0 | 0.040 | 0.018 | 62.645 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 340 | PRO | 0 | -0.039 | -0.019 | 65.111 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 341 | THR | 0 | 0.037 | 0.029 | 68.064 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 342 | SER | 0 | -0.042 | -0.023 | 70.080 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 343 | ASP | -1 | -0.854 | -0.935 | 70.887 | -4.052 | -4.052 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 344 | LEU | 0 | -0.050 | -0.025 | 72.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 345 | MET | 0 | -0.064 | -0.032 | 72.711 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 346 | VAL | 0 | 0.007 | 0.012 | 66.808 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 347 | GLU | -1 | -0.847 | -0.902 | 69.202 | -4.111 | -4.111 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 348 | LYS | 1 | 0.827 | 0.915 | 66.152 | 4.333 | 4.333 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 349 | LEU | 0 | 0.012 | 0.010 | 61.394 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 350 | TYR | 0 | -0.040 | -0.034 | 60.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 351 | LEU | 0 | -0.001 | -0.004 | 56.281 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 352 | SER | 0 | -0.048 | -0.056 | 53.122 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 353 | SER | 0 | 0.036 | 0.009 | 48.170 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 354 | HIS | 0 | 0.017 | 0.031 | 50.511 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 355 | ARG | 1 | 0.799 | 0.894 | 42.791 | 6.291 | 6.291 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 356 | GLY | 0 | 0.041 | 0.002 | 48.625 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 357 | ILE | 0 | -0.057 | -0.024 | 48.023 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 358 | ILE | 0 | -0.026 | -0.009 | 49.048 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 359 | LYS | 1 | 0.809 | 0.884 | 50.438 | 5.262 | 5.262 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 360 | ASP | -1 | -0.974 | -0.989 | 53.064 | -4.831 | -4.831 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 361 | ASP | -1 | -0.843 | -0.907 | 53.541 | -5.220 | -5.220 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 362 | GLU | -1 | -0.808 | -0.870 | 55.258 | -4.725 | -4.725 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 363 | ALA | 0 | 0.006 | 0.015 | 53.387 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 364 | ASN | 0 | -0.093 | -0.069 | 53.689 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 365 | TRP | 0 | 0.044 | -0.013 | 50.855 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 366 | VAL | 0 | -0.018 | -0.024 | 53.675 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 367 | VAL | 0 | 0.033 | 0.013 | 55.093 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 368 | PRO | 0 | -0.003 | -0.002 | 56.845 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 369 | SER | 0 | 0.019 | 0.019 | 60.082 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 370 | THR | 0 | -0.025 | -0.007 | 63.649 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 371 | ASP | -1 | -0.705 | -0.831 | 66.955 | -4.358 | -4.358 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 372 | VAL | 0 | 0.014 | 0.000 | 70.095 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 373 | ARG | 1 | 0.857 | 0.917 | 73.052 | 3.876 | 3.876 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 374 | ASP | -1 | -0.732 | -0.830 | 69.785 | -4.185 | -4.185 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 375 | LEU | 0 | -0.016 | -0.021 | 71.631 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 376 | GLN | 0 | -0.026 | -0.010 | 73.903 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 377 | ASN | 0 | -0.006 | -0.003 | 72.556 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 378 | LYS | 1 | 0.855 | 0.923 | 65.868 | 4.407 | 4.407 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 379 | GLY | 0 | 0.062 | 0.044 | 71.127 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 380 | GLU | -1 | -0.919 | -0.961 | 73.016 | -4.027 | -4.027 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 381 | CYS | 0 | -0.074 | -0.014 | 66.811 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 382 | LEU | 0 | 0.048 | 0.031 | 67.541 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 383 | VAL | 0 | 0.011 | -0.003 | 69.184 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 384 | GLU | -1 | -0.915 | -0.969 | 71.626 | -4.079 | -4.079 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 385 | ALA | 0 | -0.013 | -0.003 | 65.848 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 386 | CYS | 0 | -0.114 | -0.043 | 62.154 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 387 | LYS | 1 | 0.933 | 0.962 | 67.967 | 4.110 | 4.110 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 388 | THR | 0 | -0.043 | -0.020 | 66.766 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 389 | ARG | 1 | 0.917 | 0.947 | 61.206 | 4.772 | 4.772 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 390 | PRO | 0 | 0.051 | 0.046 | 61.920 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 391 | PRO | 0 | 0.013 | 0.005 | 63.138 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 392 | SER | 0 | -0.059 | -0.044 | 61.217 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 393 | PHE | 0 | 0.029 | 0.023 | 56.833 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 395 | ASN | 0 | -0.009 | -0.014 | 64.920 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 396 | GLY | 0 | 0.011 | 0.015 | 64.504 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 397 | THR | 0 | -0.029 | -0.011 | 62.760 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 398 | GLY | 0 | 0.070 | 0.041 | 59.175 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 399 | SER | 0 | 0.005 | -0.009 | 59.164 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 400 | GLY | 0 | 0.068 | 0.042 | 61.126 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 401 | PRO | 0 | 0.026 | 0.016 | 62.385 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 402 | TRP | 0 | 0.006 | -0.010 | 63.180 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 403 | SER | 0 | -0.062 | -0.025 | 65.965 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 404 | GLU | -1 | -0.857 | -0.924 | 67.806 | -4.303 | -4.303 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 405 | GLY | 0 | -0.033 | -0.012 | 69.514 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 406 | ARG | 1 | 0.729 | 0.828 | 68.107 | 4.229 | 4.229 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 407 | ILE | 0 | -0.063 | -0.043 | 66.971 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 408 | PRO | 0 | -0.024 | -0.019 | 62.494 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 409 | ALA | 0 | -0.042 | -0.011 | 64.192 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 410 | TYR | 0 | -0.025 | -0.041 | 57.550 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 411 | GLY | 0 | 0.042 | 0.024 | 61.120 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 412 | VAL | 0 | -0.058 | -0.034 | 58.207 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 413 | ILE | 0 | 0.016 | 0.011 | 57.787 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 414 | ARG | 1 | 0.793 | 0.870 | 57.744 | 4.602 | 4.602 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 415 | VAL | 0 | 0.018 | 0.003 | 57.105 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 416 | SER | 0 | -0.017 | -0.019 | 57.667 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 417 | LEU | 0 | -0.037 | -0.024 | 53.602 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 418 | ASP | -1 | -0.743 | -0.846 | 57.180 | -4.708 | -4.708 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 419 | LEU | 0 | -0.075 | -0.033 | 57.415 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 420 | ALA | 0 | -0.033 | -0.002 | 61.277 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 421 | THR | 0 | -0.103 | -0.059 | 62.993 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 422 | ASP | -1 | -0.930 | -0.967 | 64.493 | -4.370 | -4.370 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 423 | PRO | 0 | 0.017 | 0.002 | 60.996 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 424 | GLY | 0 | 0.018 | 0.047 | 62.993 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 425 | VAL | 0 | -0.004 | -0.018 | 59.894 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 426 | VAL | 0 | -0.009 | -0.002 | 62.208 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 427 | ILE | 0 | 0.002 | 0.015 | 62.429 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 428 | THR | 0 | -0.055 | -0.024 | 63.189 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 429 | SER | 0 | 0.000 | -0.034 | 63.807 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 430 | VAL | 0 | -0.025 | -0.008 | 63.038 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 431 | PHE | 0 | 0.019 | 0.007 | 64.179 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 432 | GLY | 0 | 0.050 | 0.022 | 62.726 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 433 | PRO | 0 | -0.067 | -0.032 | 59.378 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 434 | LEU | 0 | -0.001 | -0.009 | 61.800 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 435 | ILE | 0 | 0.032 | 0.027 | 58.396 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 436 | PRO | 0 | -0.002 | 0.000 | 58.483 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 437 | HIS | 0 | 0.016 | 0.030 | 52.428 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 438 | LEU | 0 | 0.030 | 0.000 | 56.221 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 439 | SER | 0 | 0.018 | 0.017 | 50.724 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 440 | GLY | 0 | -0.005 | 0.000 | 50.655 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 441 | MET | 0 | -0.095 | -0.051 | 51.628 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 442 | ASP | -1 | -0.772 | -0.853 | 47.052 | -5.978 | -5.978 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 443 | LEU | 0 | -0.056 | -0.027 | 50.028 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 444 | TYR | 0 | 0.080 | 0.030 | 44.305 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 445 | ASN | 0 | 0.042 | 0.036 | 47.955 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 446 | ASN | 0 | 0.021 | 0.009 | 48.161 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 447 | PRO | 0 | 0.047 | 0.015 | 48.127 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 448 | PHE | 0 | -0.042 | -0.008 | 50.595 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 449 | SER | 0 | 0.030 | 0.000 | 54.312 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 450 | ARG | 1 | 0.876 | 0.939 | 55.319 | 4.653 | 4.653 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 451 | ALA | 0 | -0.030 | -0.004 | 55.595 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 452 | VAL | 0 | 0.008 | 0.004 | 51.803 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 453 | TRP | 0 | -0.004 | -0.002 | 48.483 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 454 | LEU | 0 | 0.012 | -0.001 | 51.542 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 455 | ALA | 0 | 0.017 | 0.010 | 48.613 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 456 | VAL | 0 | -0.008 | -0.009 | 50.643 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 457 | PRO | 0 | 0.012 | 0.007 | 48.202 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 458 | PRO | 0 | -0.007 | -0.014 | 46.602 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 459 | TYR | 0 | -0.029 | 0.009 | 49.893 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 460 | GLU | -1 | -0.915 | -0.970 | 49.203 | -5.534 | -5.534 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 461 | GLN | 0 | 0.028 | 0.024 | 48.869 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 462 | SER | 0 | -0.069 | -0.032 | 50.174 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 463 | PHE | 0 | -0.016 | -0.016 | 52.590 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 464 | LEU | 0 | -0.033 | -0.010 | 46.207 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 465 | GLY | 0 | 0.034 | 0.010 | 49.324 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 466 | MET | 0 | -0.028 | -0.013 | 50.709 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 467 | ILE | 0 | 0.018 | 0.013 | 47.664 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 468 | ASN | 0 | 0.010 | -0.004 | 52.209 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 469 | THR | 0 | 0.006 | 0.003 | 54.133 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 470 | ILE | 0 | -0.007 | -0.001 | 55.467 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 471 | GLY | 0 | 0.047 | 0.027 | 57.224 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 472 | PHE | 0 | 0.028 | -0.009 | 57.462 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 473 | PRO | 0 | -0.002 | -0.001 | 60.590 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 474 | ASN | 0 | -0.018 | 0.011 | 63.602 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 475 | ARG | 1 | 0.907 | 0.951 | 65.785 | 4.423 | 4.423 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 476 | ALA | 0 | 0.038 | 0.043 | 63.768 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 477 | GLU | -1 | -0.986 | -1.006 | 62.588 | -4.450 | -4.450 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 478 | VAL | 0 | 0.040 | 0.018 | 58.736 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 479 | MET | 0 | -0.042 | -0.017 | 59.746 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 480 | PRO | 0 | 0.012 | 0.008 | 58.247 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 481 | HIS | 0 | -0.028 | -0.009 | 52.053 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 482 | ILE | 0 | 0.010 | -0.004 | 49.670 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 483 | LEU | 0 | 0.023 | 0.012 | 50.310 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 484 | THR | 0 | -0.024 | -0.011 | 53.837 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 485 | THR | 0 | -0.033 | -0.023 | 57.553 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 486 | GLU | -1 | -0.918 | -0.958 | 60.407 | -4.442 | -4.442 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 487 | ILE | 0 | -0.044 | -0.028 | 63.977 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 488 | ARG | 1 | 0.953 | 0.965 | 66.912 | 4.301 | 4.301 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 489 | GLY | 0 | 0.004 | 0.007 | 69.197 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 490 | PRO | 0 | 0.034 | 0.024 | 70.926 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 491 | ARG | 1 | 0.938 | 0.965 | 71.304 | 4.094 | 4.094 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 492 | GLY | 0 | 0.027 | 0.041 | 68.898 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 493 | ARG | 1 | 0.899 | 0.924 | 67.112 | 4.130 | 4.130 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 495 | HIS | 0 | 0.045 | 0.026 | 61.496 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 496 | VAL | 0 | 0.033 | 0.022 | 61.152 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 497 | PRO | 0 | 0.102 | 0.059 | 56.343 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 498 | ILE | 0 | -0.089 | -0.042 | 54.486 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 499 | GLU | -1 | -0.834 | -0.922 | 55.018 | -5.214 | -5.214 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 500 | LEU | 0 | -0.046 | -0.023 | 55.237 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 501 | SER | 0 | 0.095 | 0.037 | 56.177 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 502 | ARG | 1 | 0.893 | 0.946 | 57.142 | 4.909 | 4.909 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 503 | ARG | 1 | 0.841 | 0.906 | 51.806 | 5.521 | 5.521 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 504 | VAL | 0 | 0.065 | 0.056 | 52.176 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 505 | ASP | -1 | -0.881 | -0.934 | 46.266 | -6.403 | -6.403 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 506 | ASP | -1 | -0.893 | -0.958 | 49.001 | -6.046 | -6.046 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 507 | ASP | -1 | -0.840 | -0.926 | 43.617 | -6.679 | -6.679 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 508 | ILE | 0 | -0.064 | -0.034 | 43.476 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 509 | LYS | 1 | 0.833 | 0.909 | 44.460 | 6.494 | 6.494 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 510 | ILE | 0 | 0.038 | 0.020 | 43.881 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 511 | GLY | 0 | 0.026 | 0.021 | 44.153 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 512 | SER | 0 | 0.002 | -0.016 | 41.773 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 513 | ASN | 0 | 0.001 | 0.011 | 42.722 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 514 | MET | 0 | -0.045 | -0.007 | 43.483 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 515 | VAL | 0 | 0.003 | 0.008 | 40.544 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 516 | ILE | 0 | -0.011 | -0.011 | 42.921 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 517 | LEU | 0 | 0.003 | 0.006 | 37.847 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 518 | PRO | 0 | 0.042 | 0.017 | 40.525 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 519 | THR | 0 | -0.019 | -0.011 | 40.963 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 520 | MET | 0 | -0.032 | -0.006 | 43.183 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 521 | ASP | -1 | -0.883 | -0.944 | 44.737 | -6.032 | -6.032 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 522 | LEU | 0 | -0.032 | -0.009 | 45.786 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 523 | ARG | 1 | 0.882 | 0.946 | 37.707 | 6.906 | 6.906 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 524 | TYR | 0 | 0.007 | -0.004 | 42.650 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 525 | ILE | 0 | 0.013 | 0.006 | 37.831 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 526 | THR | 0 | -0.006 | -0.003 | 41.099 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 527 | ALA | 0 | 0.042 | 0.022 | 38.660 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 528 | THR | 0 | -0.044 | -0.016 | 39.877 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 529 | TYR | 0 | 0.011 | 0.007 | 39.164 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 530 | ASP | -1 | -0.772 | -0.844 | 39.172 | -7.151 | -7.151 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 531 | VAL | 0 | -0.019 | -0.025 | 38.937 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 532 | SER | 0 | -0.007 | -0.011 | 40.282 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 533 | ARG | 1 | 0.768 | 0.875 | 34.348 | 7.647 | 7.647 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 534 | ARG | 1 | 0.958 | 0.964 | 33.062 | 8.754 | 8.754 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 535 | GLU | -1 | -0.838 | -0.884 | 30.254 | -9.403 | -9.403 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 536 | HIS | 0 | 0.072 | 0.051 | 34.979 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 537 | ALA | 0 | -0.006 | -0.009 | 34.655 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 538 | ILE | 0 | 0.053 | 0.048 | 34.952 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 539 | VAL | 0 | -0.071 | -0.035 | 34.931 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 540 | TYR | 0 | 0.044 | 0.011 | 33.410 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 541 | TYR | 0 | -0.011 | -0.023 | 37.097 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 542 | ILE | 0 | -0.014 | -0.007 | 35.315 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 543 | TYR | 0 | 0.004 | -0.005 | 39.233 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 544 | ASP | -1 | -0.884 | -0.966 | 40.614 | -6.699 | -6.699 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 545 | THR | 0 | -0.048 | -0.035 | 42.858 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 546 | GLY | 0 | 0.046 | 0.046 | 44.529 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 547 | LEU | 0 | -0.085 | -0.057 | 41.396 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 548 | SER | 0 | 0.011 | -0.006 | 41.846 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 549 | SER | 0 | -0.017 | 0.001 | 38.281 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 550 | SER | 0 | 0.014 | 0.022 | 38.534 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 551 | TYR | 0 | -0.047 | -0.030 | 33.743 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 552 | PHE | 0 | 0.023 | 0.013 | 36.240 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 553 | TYR | 0 | -0.009 | -0.018 | 27.200 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 554 | PRO | 0 | -0.039 | -0.006 | 31.484 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 555 | VAL | 0 | 0.017 | 0.008 | 29.853 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 556 | ARG | 1 | 0.800 | 0.857 | 27.301 | 9.879 | 9.879 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 557 | LEU | 0 | 0.005 | 0.017 | 30.762 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 558 | ASN | 0 | 0.001 | 0.002 | 27.934 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 559 | PHE | 0 | -0.008 | 0.002 | 31.605 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 560 | LYS | 1 | 0.858 | 0.926 | 35.377 | 7.810 | 7.810 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 561 | GLY | 0 | 0.065 | 0.018 | 38.826 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 562 | ASN | 0 | -0.041 | -0.009 | 42.163 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 563 | PRO | 0 | -0.007 | -0.001 | 42.600 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 564 | LEU | 0 | 0.042 | 0.015 | 44.344 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 565 | SER | 0 | -0.032 | -0.013 | 44.510 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 566 | LEU | 0 | 0.008 | 0.003 | 38.943 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 567 | ARG | 1 | 0.909 | 0.950 | 41.475 | 6.274 | 6.274 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 568 | ILE | 0 | 0.019 | -0.002 | 37.442 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 569 | GLU | -1 | -0.796 | -0.887 | 36.810 | -6.952 | -6.952 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 570 | CYS | 0 | -0.072 | -0.042 | 31.487 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 571 | PHE | 0 | 0.053 | 0.022 | 31.345 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 572 | PRO | 0 | -0.029 | -0.002 | 33.569 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 573 | TRP | 0 | 0.022 | -0.002 | 25.049 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 574 | ARG | 1 | 0.937 | 0.970 | 22.304 | 10.022 | 10.022 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 575 | HIS | 0 | -0.026 | -0.022 | 27.297 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 576 | LYS | 1 | 0.837 | 0.947 | 23.083 | 10.365 | 10.365 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 577 | VAL | 0 | 0.009 | -0.008 | 29.679 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 578 | TRP | 0 | 0.004 | 0.028 | 24.565 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 580 | TYR | 0 | 0.002 | -0.015 | 32.045 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 581 | HIS | 0 | 0.004 | -0.008 | 32.662 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 582 | ASP | -1 | -0.732 | -0.845 | 35.444 | -7.471 | -7.471 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 583 | CYS | 0 | -0.093 | -0.053 | 37.957 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 584 | LEU | 0 | 0.029 | 0.034 | 39.506 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 585 | ILE | 0 | -0.036 | -0.029 | 38.844 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 586 | TYR | 0 | 0.052 | 0.044 | 42.490 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 587 | ASN | 0 | -0.002 | -0.018 | 39.308 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 588 | THR | 0 | -0.009 | -0.009 | 41.976 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 589 | ILE | 0 | -0.095 | -0.067 | 40.198 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 590 | THR | 0 | -0.004 | 0.007 | 41.629 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 591 | ASP | -1 | -0.861 | -0.929 | 43.830 | -6.541 | -6.541 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 592 | GLU | -1 | -0.928 | -0.968 | 45.485 | -5.932 | -5.932 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 593 | GLU | -1 | -0.863 | -0.908 | 44.005 | -6.391 | -6.391 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 594 | VAL | 0 | 0.000 | -0.002 | 38.135 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 595 | HIS | 0 | 0.001 | -0.007 | 37.223 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 596 | THR | 0 | -0.047 | -0.025 | 33.814 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 597 | ARG | 1 | 0.893 | 0.942 | 29.213 | 8.733 | 8.733 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 598 | GLY | 0 | 0.022 | 0.012 | 30.426 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 599 | LEU | 0 | 0.002 | 0.019 | 27.801 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 600 | THR | 0 | -0.033 | -0.025 | 27.549 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 601 | GLY | 0 | 0.064 | 0.014 | 26.953 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 602 | ILE | 0 | -0.060 | -0.036 | 26.905 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 603 | GLU | -1 | -0.846 | -0.926 | 24.637 | -10.211 | -10.211 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 604 | VAL | 0 | -0.011 | -0.005 | 28.770 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 605 | THR | 0 | -0.040 | -0.020 | 26.009 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |