FMODB ID: YV5J2
Calculation Name: 1I5P-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1I5P
Chain ID: A
UniProt ID: P0A377
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 632 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15138378.473409 |
---|---|
FMO2-HF: Nuclear repulsion | 14890667.439605 |
FMO2-HF: Total energy | -247711.033804 |
FMO2-MP2: Total energy | -248440.466572 |
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(A:1:MET)
Summations of interaction energy for
fragment #1(A: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. |
-8.943 | -2.433 | 6.617 | -4.913 | -8.213 | -0.017 |
Interaction energy analysis for fragmet #1(A: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 | A | 3 | ASN | 0 | 0.079 | 0.026 | 3.722 | -2.385 | 0.375 | -0.011 | -1.552 | -1.196 | 0.006 |
4 | A | 4 | VAL | 0 | 0.013 | 0.028 | 2.099 | 0.168 | -0.915 | 5.378 | -1.000 | -3.295 | -0.002 |
5 | A | 5 | LEU | 0 | 0.022 | -0.005 | 2.757 | -3.679 | -1.166 | 0.471 | -1.324 | -1.660 | -0.016 |
6 | A | 6 | ASN | 0 | 0.035 | -0.007 | 2.538 | -3.645 | -1.458 | 0.780 | -1.024 | -1.943 | -0.005 |
7 | A | 7 | SER | 0 | -0.032 | -0.019 | 5.938 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | GLY | 0 | 0.067 | 0.043 | 9.540 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ARG | 1 | 0.739 | 0.862 | 12.173 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | THR | 0 | -0.009 | -0.027 | 15.416 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | THR | 0 | -0.001 | 0.014 | 15.886 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ILE | 0 | 0.113 | 0.043 | 14.179 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | CYS | 0 | -0.074 | -0.045 | 13.846 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | ASP | -1 | -0.837 | -0.911 | 11.591 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ALA | 0 | 0.025 | 0.029 | 7.318 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | TYR | 0 | -0.002 | 0.014 | 9.340 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | ASN | 0 | -0.012 | -0.029 | 12.012 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | VAL | 0 | -0.025 | -0.020 | 11.173 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | VAL | 0 | -0.032 | -0.008 | 6.083 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | ALA | 0 | -0.047 | -0.012 | 7.438 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | HIS | 0 | -0.020 | -0.016 | 9.679 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | ASP | -1 | -0.777 | -0.867 | 11.123 | -0.783 | -0.783 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | PRO | 0 | -0.021 | -0.012 | 11.366 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | PHE | 0 | 0.006 | -0.008 | 13.793 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | SER | 0 | 0.003 | 0.005 | 16.954 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | PHE | 0 | -0.016 | 0.008 | 18.682 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLU | -1 | -0.856 | -0.960 | 20.091 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | HIS | 1 | 0.801 | 0.871 | 17.053 | 0.558 | 0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | LYS | 1 | 0.828 | 0.917 | 21.882 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | SER | 0 | 0.014 | 0.010 | 24.408 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | LEU | 0 | 0.067 | 0.013 | 28.115 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ASP | -1 | -0.889 | -0.943 | 30.711 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | THR | 0 | 0.004 | 0.001 | 25.652 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ILE | 0 | 0.017 | 0.010 | 26.127 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | GLN | 0 | -0.018 | -0.011 | 28.705 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | LYS | 1 | 0.911 | 0.947 | 30.499 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | GLU | -1 | -0.840 | -0.908 | 24.672 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | TRP | 0 | -0.011 | 0.005 | 28.410 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | MET | 0 | -0.039 | -0.024 | 31.220 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | GLU | -1 | -0.795 | -0.881 | 30.458 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | TRP | 0 | -0.033 | -0.017 | 28.873 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LYS | 1 | 0.742 | 0.854 | 31.097 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ARG | 1 | 0.785 | 0.877 | 33.296 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | THR | 0 | -0.092 | -0.043 | 31.347 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASP | -1 | -0.768 | -0.876 | 28.890 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | HIS | 0 | -0.072 | -0.050 | 31.632 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | SER | 0 | 0.002 | 0.022 | 32.643 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | LEU | 0 | -0.027 | -0.024 | 33.299 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | TYR | 0 | 0.009 | -0.005 | 36.829 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | VAL | 0 | -0.030 | -0.003 | 34.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ALA | 0 | 0.094 | 0.061 | 37.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | PRO | 0 | 0.042 | 0.005 | 34.693 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | VAL | 0 | 0.029 | 0.019 | 34.621 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | VAL | 0 | 0.016 | 0.011 | 34.410 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | GLY | 0 | 0.061 | 0.031 | 31.852 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | THR | 0 | 0.007 | 0.008 | 31.338 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | VAL | 0 | 0.001 | 0.004 | 32.914 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | SER | 0 | -0.004 | -0.004 | 31.206 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | SER | 0 | -0.013 | -0.016 | 28.696 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | PHE | 0 | -0.002 | -0.013 | 29.601 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | LEU | 0 | -0.022 | -0.013 | 32.224 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | LEU | 0 | -0.009 | -0.006 | 26.446 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | LYS | 1 | 0.869 | 0.942 | 25.081 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | LYS | 1 | 0.802 | 0.934 | 29.123 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | VAL | 0 | -0.022 | -0.009 | 29.851 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | GLY | 0 | 0.003 | 0.005 | 27.206 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | SER | 0 | 0.026 | 0.010 | 27.091 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LEU | 0 | 0.013 | 0.007 | 29.468 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ILE | 0 | 0.025 | 0.011 | 31.250 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | GLY | 0 | -0.032 | -0.008 | 33.173 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | LYS | 1 | 0.866 | 0.914 | 34.752 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ARG | 1 | 0.855 | 0.932 | 38.100 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ILE | 0 | -0.078 | -0.058 | 36.521 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | LEU | 0 | -0.014 | -0.011 | 39.302 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | SER | 0 | -0.012 | -0.005 | 42.612 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | GLU | -1 | -0.815 | -0.923 | 36.736 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | LEU | 0 | -0.021 | -0.004 | 38.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | TRP | 0 | -0.040 | -0.027 | 40.074 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | GLY | 0 | 0.016 | 0.004 | 42.102 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | ILE | 0 | -0.045 | -0.014 | 35.790 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ILE | 0 | -0.007 | -0.018 | 39.947 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | PHE | 0 | -0.034 | -0.027 | 41.924 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | PRO | 0 | 0.021 | 0.028 | 42.525 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | SER | 0 | -0.005 | -0.015 | 44.354 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLY | 0 | 0.019 | 0.010 | 47.228 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | SER | 0 | -0.048 | -0.019 | 47.310 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | THR | 0 | 0.018 | -0.002 | 47.426 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ASN | 0 | 0.053 | 0.022 | 44.571 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LEU | 0 | 0.029 | 0.023 | 40.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | MET | 0 | 0.008 | 0.017 | 43.846 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | GLN | 0 | -0.031 | -0.025 | 45.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ASP | -1 | -0.888 | -0.953 | 42.502 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ILE | 0 | 0.057 | 0.043 | 40.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | LEU | 0 | -0.028 | 0.018 | 43.681 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ARG | 1 | 0.895 | 0.943 | 46.887 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | GLU | -1 | -0.777 | -0.877 | 41.376 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | THR | 0 | -0.005 | -0.027 | 43.577 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | GLU | -1 | -0.862 | -0.931 | 44.495 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | GLN | 0 | -0.030 | -0.013 | 45.269 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | PHE | 0 | -0.023 | -0.003 | 39.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | LEU | 0 | -0.044 | -0.031 | 43.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASN | 0 | -0.015 | 0.005 | 45.960 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | GLN | 0 | -0.037 | -0.009 | 48.525 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ARG | 1 | 0.873 | 0.912 | 50.570 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | LEU | 0 | -0.021 | 0.003 | 51.890 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ASN | 0 | 0.041 | 0.048 | 54.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | THR | 0 | 0.057 | -0.006 | 57.954 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ASP | -1 | -0.891 | -0.939 | 59.989 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | THR | 0 | -0.032 | -0.036 | 54.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | LEU | 0 | -0.025 | 0.006 | 54.136 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ALA | 0 | 0.013 | 0.007 | 55.912 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ARG | 1 | 0.890 | 0.940 | 57.103 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | VAL | 0 | 0.052 | 0.016 | 51.347 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ASN | 0 | 0.008 | -0.018 | 53.360 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | ALA | 0 | -0.010 | 0.006 | 54.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | GLU | -1 | -0.773 | -0.881 | 53.307 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | LEU | 0 | -0.043 | -0.012 | 48.491 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ILE | 0 | -0.007 | 0.001 | 51.317 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | GLY | 0 | -0.006 | -0.008 | 53.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | LEU | 0 | 0.001 | 0.003 | 47.997 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | GLN | 0 | 0.050 | 0.025 | 49.281 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | ALA | 0 | -0.020 | -0.004 | 50.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | ASN | 0 | 0.059 | 0.025 | 52.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ILE | 0 | 0.031 | 0.014 | 46.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ARG | 1 | 0.855 | 0.950 | 49.464 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | GLU | -1 | -0.906 | -0.970 | 50.433 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | PHE | 0 | 0.013 | 0.008 | 47.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ASN | 0 | 0.027 | -0.009 | 45.951 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | GLN | 0 | 0.069 | 0.038 | 49.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | GLN | 0 | -0.007 | -0.001 | 51.617 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | VAL | 0 | -0.035 | -0.003 | 47.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ASP | -1 | -0.811 | -0.910 | 47.612 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ASN | 0 | 0.014 | -0.014 | 50.178 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | PHE | 0 | -0.042 | -0.017 | 52.635 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | LEU | 0 | -0.033 | -0.021 | 47.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ASN | 0 | -0.052 | -0.014 | 50.934 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | PRO | 0 | -0.007 | 0.009 | 52.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | THR | 0 | -0.026 | -0.021 | 54.539 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | GLN | 0 | -0.058 | -0.024 | 54.749 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | ASN | 0 | -0.010 | -0.001 | 59.153 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | PRO | 0 | 0.023 | 0.011 | 59.889 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | VAL | 0 | -0.048 | -0.020 | 56.754 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | PRO | 0 | 0.115 | 0.074 | 58.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | LEU | 0 | 0.050 | 0.040 | 56.902 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | SER | 0 | -0.064 | -0.083 | 57.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ILE | 0 | 0.121 | 0.092 | 51.072 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | THR | 0 | 0.054 | 0.017 | 54.171 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | SER | 0 | -0.076 | -0.013 | 55.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | SER | 0 | 0.039 | 0.000 | 54.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | VAL | 0 | -0.043 | -0.018 | 50.640 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ASN | 0 | -0.008 | -0.016 | 53.016 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | THR | 0 | -0.014 | -0.003 | 55.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | MET | 0 | 0.002 | 0.011 | 50.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | GLN | 0 | 0.091 | 0.061 | 50.418 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | GLN | 0 | -0.042 | -0.023 | 52.544 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | LEU | 0 | -0.008 | -0.007 | 54.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | PHE | 0 | 0.008 | 0.001 | 47.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | LEU | 0 | -0.063 | -0.025 | 51.608 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ASN | 0 | -0.003 | 0.006 | 53.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ARG | 1 | 0.810 | 0.892 | 52.410 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.003 | 0.011 | 47.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | PRO | 0 | 0.074 | 0.035 | 50.831 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | GLN | 0 | -0.066 | -0.031 | 53.138 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | PHE | 0 | -0.051 | -0.022 | 48.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLN | 0 | -0.015 | -0.015 | 48.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | ILE | 0 | -0.004 | 0.017 | 51.252 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | GLN | 0 | 0.043 | 0.006 | 53.482 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | GLY | 0 | -0.019 | -0.003 | 54.248 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | TYR | 0 | 0.024 | -0.006 | 51.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | GLN | 0 | -0.025 | -0.011 | 49.114 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | LEU | 0 | 0.036 | 0.011 | 43.373 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | LEU | 0 | -0.023 | -0.003 | 45.482 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | LEU | 0 | 0.009 | -0.001 | 46.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | LEU | 0 | 0.013 | 0.025 | 42.150 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | PRO | 0 | 0.019 | 0.005 | 41.366 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LEU | 0 | 0.002 | 0.007 | 42.416 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | PHE | 0 | 0.013 | -0.001 | 44.394 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ALA | 0 | 0.016 | 0.014 | 39.903 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLN | 0 | 0.032 | 0.001 | 38.149 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ALA | 0 | 0.003 | -0.002 | 42.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | ALA | 0 | -0.005 | -0.002 | 42.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ASN | 0 | 0.020 | 0.013 | 37.802 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | MET | 0 | -0.037 | 0.016 | 40.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | HIS | 0 | 0.010 | 0.028 | 43.662 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | LEU | 0 | 0.027 | -0.001 | 40.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | SER | 0 | -0.046 | -0.049 | 39.877 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | PHE | 0 | -0.019 | 0.004 | 41.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ILE | 0 | -0.011 | -0.007 | 44.262 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ARG | 1 | 0.844 | 0.903 | 34.449 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ASP | -1 | -0.759 | -0.858 | 41.301 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | VAL | 0 | -0.013 | -0.001 | 43.062 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | ILE | 0 | -0.086 | -0.042 | 42.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | LEU | 0 | -0.079 | -0.050 | 37.760 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ASN | 0 | -0.042 | -0.008 | 41.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | ALA | 0 | 0.006 | 0.002 | 44.390 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | ASP | -1 | -0.891 | -0.944 | 46.127 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | GLU | -1 | -0.921 | -0.965 | 43.502 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | TRP | 0 | -0.037 | -0.037 | 45.463 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | GLY | 0 | 0.014 | 0.019 | 49.875 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | ILE | 0 | -0.080 | -0.028 | 49.438 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | SER | 0 | 0.026 | 0.017 | 51.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | ALA | 0 | 0.091 | 0.021 | 51.411 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | ALA | 0 | 0.006 | -0.001 | 51.841 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | THR | 0 | 0.011 | 0.006 | 51.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | LEU | 0 | 0.043 | 0.030 | 45.573 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ARG | 1 | 0.888 | 0.937 | 46.490 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | THR | 0 | 0.007 | 0.005 | 49.231 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | TYR | 0 | 0.040 | -0.003 | 47.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ARG | 1 | 0.883 | 0.952 | 42.174 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ASP | -1 | -0.854 | -0.924 | 44.956 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | TYR | 0 | -0.045 | -0.016 | 46.998 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | LEU | 0 | 0.045 | 0.035 | 39.621 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ARG | 1 | 0.905 | 0.969 | 42.435 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ASN | 0 | -0.028 | -0.039 | 43.486 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | TYR | 0 | 0.064 | 0.031 | 45.784 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | THR | 0 | -0.005 | -0.008 | 39.258 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | ARG | 1 | 0.850 | 0.943 | 42.114 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ASP | -1 | -0.868 | -0.929 | 43.712 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | TYR | 0 | -0.018 | -0.057 | 43.305 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | SER | 0 | 0.011 | -0.012 | 39.933 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ASN | 0 | 0.024 | 0.010 | 41.478 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | TYR | 0 | 0.010 | 0.027 | 43.708 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | CYS | 0 | -0.008 | 0.004 | 40.862 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | ILE | 0 | 0.015 | 0.009 | 38.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ASN | 0 | 0.001 | -0.010 | 41.394 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | THR | 0 | -0.024 | -0.012 | 44.764 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | TYR | 0 | 0.018 | 0.008 | 37.160 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | GLN | 0 | 0.003 | -0.004 | 40.563 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | THR | 0 | -0.050 | -0.023 | 42.907 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ALA | 0 | 0.003 | 0.001 | 44.305 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | PHE | 0 | 0.018 | 0.007 | 37.619 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ARG | 1 | 0.915 | 0.942 | 42.805 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLY | 0 | -0.023 | 0.006 | 45.157 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LEU | 0 | -0.037 | -0.007 | 40.950 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | ASN | 0 | 0.005 | -0.016 | 44.777 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | THR | 0 | 0.009 | 0.022 | 40.986 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ARG | 1 | 0.921 | 0.975 | 40.336 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LEU | 0 | 0.039 | 0.015 | 33.061 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | HIS | 1 | 0.841 | 0.929 | 34.657 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | ASP | -1 | -0.821 | -0.923 | 36.509 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | MET | 0 | -0.069 | -0.016 | 36.892 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | LEU | 0 | -0.043 | -0.035 | 31.353 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | GLU | -1 | -0.792 | -0.897 | 34.380 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | PHE | 0 | 0.011 | 0.018 | 35.957 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ARG | 1 | 0.892 | 0.941 | 29.671 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | THR | 0 | -0.030 | -0.019 | 31.809 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | TYR | 0 | -0.008 | -0.008 | 33.623 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | MET | 0 | 0.021 | 0.000 | 36.638 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | PHE | 0 | -0.023 | -0.022 | 31.359 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | LEU | 0 | -0.027 | -0.005 | 30.138 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ASN | 0 | -0.031 | -0.019 | 33.701 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | VAL | 0 | -0.019 | -0.016 | 36.755 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | PHE | 0 | 0.002 | -0.020 | 34.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | GLU | -1 | -0.901 | -0.937 | 29.021 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | TYR | 0 | -0.040 | -0.008 | 32.601 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | VAL | 0 | 0.015 | 0.015 | 35.448 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | SER | 0 | -0.023 | -0.019 | 31.028 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | ILE | 0 | -0.038 | -0.003 | 30.405 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | TRP | 0 | 0.014 | -0.002 | 33.155 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | SER | 0 | -0.020 | 0.011 | 34.897 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | LEU | 0 | -0.017 | -0.013 | 29.497 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | PHE | 0 | 0.049 | 0.035 | 33.583 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LYS | 1 | 0.768 | 0.898 | 35.392 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | TYR | 0 | -0.005 | -0.034 | 31.719 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | GLN | 0 | 0.092 | 0.043 | 32.695 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | SER | 0 | 0.011 | 0.023 | 28.307 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | LEU | 0 | -0.002 | 0.001 | 26.136 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | MET | 0 | 0.029 | 0.013 | 19.055 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | VAL | 0 | -0.020 | -0.016 | 23.686 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | SER | 0 | -0.066 | -0.042 | 19.190 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | SER | 0 | -0.018 | -0.025 | 20.224 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | GLY | 0 | 0.085 | 0.047 | 22.350 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ALA | 0 | -0.010 | 0.008 | 24.930 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | ASN | 0 | -0.003 | 0.016 | 23.678 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | LEU | 0 | 0.021 | 0.036 | 26.147 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | TYR | 0 | 0.007 | -0.006 | 26.667 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | ALA | 0 | 0.033 | 0.028 | 28.263 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | SER | 0 | 0.043 | 0.009 | 29.286 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | GLY | 0 | 0.029 | 0.021 | 31.814 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | SER | 0 | -0.025 | -0.013 | 33.499 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | GLY | 0 | 0.079 | 0.029 | 36.672 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | PRO | 0 | -0.059 | -0.040 | 39.322 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | GLN | 0 | 0.039 | 0.051 | 37.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | GLN | 0 | 0.089 | 0.059 | 34.472 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | THR | 0 | -0.005 | -0.016 | 38.914 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | GLN | 0 | 0.033 | 0.043 | 39.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | SER | 0 | -0.011 | -0.011 | 41.194 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | PHE | 0 | -0.017 | -0.021 | 38.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | THR | 0 | 0.049 | 0.020 | 41.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ALA | 0 | 0.042 | 0.015 | 40.859 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | GLN | 0 | -0.020 | -0.019 | 40.411 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | ASN | 0 | 0.014 | 0.004 | 39.212 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | TRP | 0 | -0.038 | -0.025 | 32.135 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | PRO | 0 | 0.012 | -0.006 | 34.883 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | PHE | 0 | 0.027 | 0.016 | 33.764 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | LEU | 0 | 0.023 | 0.029 | 32.711 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | TYR | 0 | 0.035 | 0.033 | 30.218 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | SER | 0 | -0.049 | -0.025 | 28.891 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | LEU | 0 | 0.002 | 0.001 | 28.335 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | PHE | 0 | -0.037 | -0.044 | 26.805 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | GLN | 0 | -0.081 | -0.055 | 24.129 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | VAL | 0 | -0.001 | 0.010 | 23.205 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | ASN | 0 | -0.023 | -0.022 | 18.998 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | SER | 0 | 0.010 | 0.002 | 18.703 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | ASN | 0 | -0.040 | 0.003 | 17.700 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | TYR | 0 | -0.040 | -0.017 | 14.471 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | ILE | 0 | 0.009 | 0.017 | 8.890 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | LEU | 0 | -0.035 | -0.006 | 12.795 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | SER | 0 | -0.012 | -0.012 | 12.538 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | GLY | 0 | 0.027 | -0.026 | 13.979 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | ILE | 0 | -0.040 | 0.007 | 17.278 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | SER | 0 | -0.034 | -0.025 | 20.662 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | GLY | 0 | 0.063 | 0.009 | 22.693 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | THR | 0 | -0.033 | -0.018 | 26.453 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | ARG | 1 | 0.867 | 0.952 | 25.766 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | LEU | 0 | -0.027 | -0.014 | 31.059 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | SER | 0 | 0.056 | 0.027 | 34.568 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | ILE | 0 | -0.015 | 0.012 | 36.604 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | THR | 0 | 0.052 | -0.006 | 40.279 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | PHE | 0 | -0.032 | 0.005 | 43.110 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | PRO | 0 | 0.071 | 0.026 | 46.368 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | ASN | 0 | 0.015 | 0.017 | 49.466 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | ILE | 0 | 0.035 | 0.022 | 51.889 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | GLY | 0 | -0.014 | -0.019 | 55.134 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | GLY | 0 | -0.019 | -0.009 | 58.091 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | LEU | 0 | -0.026 | -0.003 | 54.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | PRO | 0 | 0.036 | 0.023 | 54.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | GLY | 0 | 0.000 | -0.011 | 50.718 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | SER | 0 | -0.036 | -0.038 | 47.053 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | THR | 0 | 0.018 | 0.011 | 45.254 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | THR | 0 | -0.001 | 0.024 | 39.652 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | THR | 0 | -0.060 | -0.026 | 39.057 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | HIS | 0 | -0.062 | -0.041 | 34.453 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | SER | 0 | -0.014 | -0.022 | 34.835 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | LEU | 0 | -0.015 | 0.004 | 28.219 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | ASN | 0 | -0.006 | -0.009 | 32.029 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | SER | 0 | -0.003 | -0.006 | 30.000 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ALA | 0 | 0.031 | 0.013 | 26.199 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | ARG | 1 | 0.965 | 0.992 | 22.449 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | VAL | 0 | 0.026 | 0.026 | 19.394 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | ASN | 0 | 0.001 | -0.010 | 16.691 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | TYR | 0 | 0.011 | -0.051 | 14.644 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | SER | 0 | 0.020 | 0.011 | 9.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | GLY | 0 | 0.025 | 0.001 | 10.997 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | GLY | 0 | -0.039 | -0.008 | 12.597 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | VAL | 0 | 0.000 | 0.019 | 15.035 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | SER | 0 | 0.005 | -0.009 | 17.386 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | SER | 0 | -0.006 | -0.003 | 20.157 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | GLY | 0 | -0.005 | 0.005 | 23.175 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | LEU | 0 | -0.043 | -0.027 | 26.326 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | ILE | 0 | -0.001 | 0.008 | 26.512 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | GLY | 0 | 0.011 | 0.007 | 30.050 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | ALA | 0 | -0.020 | -0.007 | 33.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | THR | 0 | -0.052 | -0.021 | 31.966 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | ASN | 0 | -0.009 | -0.001 | 32.996 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | LEU | 0 | -0.020 | 0.000 | 32.577 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | ASN | 0 | 0.022 | 0.015 | 29.507 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | HIS | 0 | -0.041 | 0.012 | 25.662 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | ASN | 0 | 0.025 | 0.003 | 26.974 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | PHE | 0 | -0.045 | -0.027 | 23.441 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | ASN | 0 | 0.059 | 0.013 | 19.086 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | CYS | 0 | -0.123 | -0.028 | 19.297 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | SER | 0 | 0.107 | 0.034 | 14.468 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 364 | THR | 0 | -0.004 | -0.002 | 11.047 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 365 | VAL | 0 | -0.139 | -0.021 | 11.616 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 366 | LEU | 0 | 0.104 | 0.063 | 8.390 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 367 | PRO | 0 | 0.051 | 0.004 | 4.164 | -0.108 | 0.025 | -0.001 | -0.013 | -0.119 | 0.000 |
368 | A | 368 | PRO | 0 | 0.026 | 0.060 | 6.849 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 369 | LEU | 0 | -0.069 | -0.025 | 6.938 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 370 | SER | 0 | -0.034 | -0.022 | 6.500 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 371 | THR | 0 | -0.002 | -0.026 | 8.582 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 372 | PRO | 0 | 0.002 | 0.032 | 11.691 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 373 | PHE | 0 | 0.024 | -0.006 | 13.804 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 374 | VAL | 0 | 0.017 | 0.003 | 17.313 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 375 | ARG | 1 | 0.812 | 0.895 | 20.069 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 376 | SER | 0 | 0.026 | 0.005 | 22.649 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 377 | TRP | 0 | -0.002 | 0.008 | 23.776 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 378 | LEU | 0 | 0.003 | -0.007 | 26.838 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 379 | ASP | -1 | -0.768 | -0.849 | 30.365 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 380 | SER | 0 | -0.078 | -0.034 | 33.697 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 381 | GLY | 0 | 0.022 | -0.021 | 36.363 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 382 | THR | 0 | -0.071 | -0.033 | 39.559 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 383 | ASP | -1 | -0.797 | -0.852 | 40.055 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 384 | ARG | 1 | 0.949 | 0.944 | 43.321 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 385 | GLU | -1 | -0.853 | -0.927 | 43.982 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 386 | GLY | 0 | -0.044 | -0.016 | 48.617 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 387 | VAL | 0 | 0.001 | -0.006 | 51.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 388 | ALA | 0 | 0.004 | -0.010 | 52.443 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 389 | THR | 0 | -0.001 | 0.020 | 46.399 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 390 | SER | 0 | -0.072 | -0.020 | 46.076 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 391 | THR | 0 | 0.064 | 0.018 | 39.644 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 392 | ASN | 0 | -0.022 | 0.006 | 40.683 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 393 | TRP | 0 | 0.007 | 0.011 | 34.824 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 394 | GLN | 0 | 0.014 | -0.002 | 32.541 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 395 | THR | 0 | -0.010 | -0.011 | 29.661 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 396 | GLU | -1 | -0.817 | -0.918 | 27.600 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 397 | SER | 0 | -0.057 | -0.029 | 24.272 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 398 | PHE | 0 | 0.028 | -0.014 | 20.652 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 399 | GLN | 0 | 0.052 | 0.030 | 19.954 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 400 | THR | 0 | -0.079 | -0.069 | 14.748 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 401 | THR | 0 | 0.057 | 0.022 | 13.700 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 402 | LEU | 0 | 0.099 | 0.086 | 13.374 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 403 | SER | 0 | 0.002 | 0.032 | 16.373 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 404 | LEU | 0 | -0.056 | -0.051 | 15.200 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 405 | ARG | 1 | 0.902 | 0.940 | 18.321 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 407 | GLY | 0 | 0.077 | 0.027 | 21.697 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 408 | ALA | 0 | -0.068 | -0.006 | 24.147 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 409 | PHE | 0 | -0.010 | -0.014 | 27.543 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 410 | SER | 0 | 0.005 | -0.004 | 28.448 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 411 | ALA | 0 | 0.015 | 0.013 | 27.330 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 412 | ARG | 1 | 0.812 | 0.884 | 29.387 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 413 | GLY | 0 | 0.018 | 0.018 | 32.436 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 414 | ASN | 0 | 0.013 | 0.006 | 32.925 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 415 | SER | 0 | -0.061 | -0.008 | 27.708 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 416 | ASN | 0 | -0.019 | -0.041 | 27.190 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 417 | TYR | 0 | 0.046 | -0.004 | 22.243 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 418 | PHE | 0 | 0.021 | 0.027 | 25.130 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 419 | PRO | 0 | 0.072 | 0.036 | 24.621 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 420 | ASP | -1 | -0.858 | -0.922 | 21.949 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 421 | TYR | 0 | -0.058 | -0.022 | 21.870 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 422 | PHE | 0 | 0.014 | -0.005 | 16.450 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 423 | ILE | 0 | -0.044 | -0.019 | 19.199 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 424 | ARG | 1 | 0.861 | 0.928 | 13.175 | 0.826 | 0.826 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 425 | ASN | 0 | 0.057 | 0.049 | 17.812 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 426 | ILE | 0 | -0.003 | 0.005 | 20.103 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 427 | SER | 0 | 0.027 | 0.018 | 22.541 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 428 | GLY | 0 | 0.034 | 0.008 | 25.668 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 429 | VAL | 0 | -0.038 | -0.009 | 29.101 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 430 | PRO | 0 | 0.031 | 0.020 | 32.654 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 431 | LEU | 0 | -0.044 | -0.022 | 35.170 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 432 | VAL | 0 | 0.001 | -0.002 | 38.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 433 | ILE | 0 | -0.010 | -0.003 | 35.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 434 | ARG | 1 | 0.983 | 0.990 | 38.661 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 435 | ASN | 0 | 0.078 | 0.031 | 40.340 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 436 | GLU | -1 | -0.894 | -0.971 | 41.391 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 437 | ASP | -1 | -0.884 | -0.943 | 36.494 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 438 | LEU | 0 | -0.033 | -0.014 | 37.535 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 439 | THR | 0 | -0.059 | -0.016 | 39.145 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 440 | ARG | 1 | 0.890 | 0.955 | 37.653 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 441 | PRO | 0 | 0.044 | 0.035 | 34.659 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 442 | LEU | 0 | -0.011 | -0.001 | 28.941 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 443 | HIS | 0 | -0.016 | 0.009 | 28.049 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 444 | TYR | 0 | -0.035 | -0.057 | 21.486 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 445 | ASN | 0 | 0.015 | -0.003 | 20.596 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 446 | GLN | 0 | 0.024 | 0.027 | 24.561 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 447 | ILE | 0 | 0.007 | 0.009 | 23.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 448 | ARG | 1 | 0.781 | 0.860 | 27.245 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 449 | ASN | 0 | 0.000 | -0.003 | 29.697 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 450 | ILE | 0 | 0.005 | 0.018 | 31.200 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 451 | GLU | -1 | -0.794 | -0.914 | 33.368 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 452 | SER | 0 | -0.021 | -0.013 | 35.690 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 453 | PRO | 0 | 0.007 | 0.006 | 39.050 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 454 | SER | 0 | 0.129 | 0.015 | 42.194 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 455 | GLY | 0 | 0.002 | 0.006 | 43.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 456 | THR | 0 | -0.057 | -0.021 | 41.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 457 | PRO | 0 | -0.082 | -0.021 | 38.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 458 | GLY | 0 | 0.011 | 0.026 | 39.028 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 459 | GLY | 0 | -0.007 | -0.025 | 37.116 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 460 | ALA | 0 | -0.007 | -0.011 | 36.051 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 461 | ARG | 1 | 0.897 | 0.957 | 35.122 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 462 | ALA | 0 | 0.020 | 0.016 | 30.237 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 463 | TYR | 0 | -0.044 | -0.052 | 31.788 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 464 | LEU | 0 | -0.001 | -0.004 | 25.153 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 465 | VAL | 0 | -0.026 | -0.011 | 27.288 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 466 | SER | 0 | -0.018 | 0.018 | 24.077 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 467 | VAL | 0 | -0.018 | -0.017 | 22.447 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 468 | HIS | 0 | -0.028 | -0.024 | 22.007 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 469 | ASN | 0 | -0.016 | -0.053 | 20.614 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 470 | ARG | 1 | 1.009 | 1.024 | 20.673 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 471 | LYS | 1 | 0.791 | 0.897 | 15.688 | 0.849 | 0.849 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 472 | ASN | 0 | 0.002 | 0.003 | 14.796 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 473 | ASN | 0 | 0.094 | 0.077 | 13.719 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 474 | ILE | 0 | -0.030 | -0.015 | 9.730 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 475 | TYR | 0 | -0.016 | -0.011 | 5.725 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 476 | ALA | 0 | 0.034 | -0.012 | 5.140 | -0.658 | -0.658 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 477 | ALA | 0 | -0.006 | -0.008 | 6.048 | 0.777 | 0.777 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 478 | ASN | 0 | -0.010 | -0.011 | 6.766 | -0.742 | -0.742 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 479 | GLU | -1 | -0.904 | -0.948 | 8.573 | -0.975 | -0.975 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 480 | ASN | 0 | -0.039 | -0.014 | 9.432 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 481 | GLY | 0 | 0.014 | -0.001 | 10.764 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 482 | THR | 0 | -0.088 | -0.053 | 11.759 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 483 | MET | 0 | 0.000 | 0.006 | 11.261 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 484 | ILE | 0 | -0.029 | 0.026 | 8.066 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 485 | HIS | 0 | -0.025 | -0.014 | 11.720 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 486 | LEU | 0 | -0.002 | 0.002 | 11.550 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 487 | ALA | 0 | -0.009 | 0.013 | 14.017 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 488 | PRO | 0 | -0.005 | -0.010 | 16.323 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 489 | GLU | -1 | -0.880 | -0.937 | 15.248 | -0.745 | -0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 490 | ASP | -1 | -0.856 | -0.900 | 18.190 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 491 | TYR | 0 | -0.075 | -0.050 | 21.843 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 492 | THR | 0 | -0.029 | -0.027 | 23.206 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 493 | GLY | 0 | -0.008 | -0.018 | 23.388 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 494 | PHE | 0 | -0.018 | -0.013 | 19.374 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 495 | THR | 0 | 0.027 | 0.016 | 22.951 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 496 | ILE | 0 | -0.012 | 0.009 | 18.803 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 497 | SER | 0 | 0.076 | 0.044 | 21.191 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 498 | PRO | 0 | 0.021 | 0.003 | 21.710 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 499 | ILE | 0 | 0.080 | 0.060 | 21.827 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 500 | HIS | 0 | 0.005 | 0.004 | 17.489 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 501 | ALA | 0 | 0.044 | 0.023 | 18.208 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 502 | THR | 0 | -0.016 | 0.001 | 14.669 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 503 | GLN | 0 | 0.009 | -0.006 | 16.714 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 504 | VAL | 0 | 0.040 | 0.028 | 19.714 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 505 | ASN | 0 | 0.045 | 0.045 | 23.510 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 506 | ASN | 0 | 0.038 | -0.005 | 26.215 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 507 | GLN | 0 | 0.016 | -0.002 | 23.702 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 508 | THR | 0 | -0.005 | 0.002 | 28.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 509 | ARG | 1 | 0.902 | 0.963 | 31.413 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 510 | THR | 0 | 0.016 | 0.013 | 27.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 511 | PHE | 0 | 0.007 | 0.004 | 29.971 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 512 | ILE | 0 | 0.026 | 0.032 | 25.277 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 513 | SER | 0 | -0.060 | -0.032 | 29.436 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 514 | GLU | -1 | -0.797 | -0.899 | 31.819 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 515 | LYS | 1 | 0.763 | 0.903 | 31.610 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 516 | PHE | 0 | -0.009 | -0.035 | 32.821 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 517 | GLY | 0 | 0.003 | -0.009 | 34.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 518 | ASN | 0 | -0.092 | -0.073 | 29.287 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 519 | GLN | 0 | 0.015 | 0.006 | 26.887 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 520 | GLY | 0 | 0.017 | 0.017 | 26.424 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 521 | ASP | -1 | -0.825 | -0.899 | 27.400 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 522 | SER | 0 | -0.076 | -0.048 | 27.687 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 523 | LEU | 0 | -0.018 | -0.009 | 25.099 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 524 | ARG | 1 | 0.886 | 0.939 | 28.932 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 525 | PHE | 0 | 0.007 | -0.007 | 27.167 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 526 | GLU | -1 | -0.801 | -0.913 | 32.524 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 527 | GLN | 0 | -0.019 | -0.009 | 33.339 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 528 | SER | 0 | 0.005 | 0.016 | 33.688 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 529 | ASN | 0 | 0.008 | 0.005 | 32.104 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 530 | THR | 0 | -0.005 | 0.006 | 28.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 531 | THR | 0 | -0.025 | -0.030 | 24.255 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 532 | ALA | 0 | 0.001 | 0.014 | 23.616 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 533 | ARG | 1 | 0.871 | 0.891 | 17.375 | 0.590 | 0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 534 | TYR | 0 | -0.049 | -0.033 | 18.074 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 535 | THR | 0 | 0.019 | -0.015 | 12.576 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 536 | LEU | 0 | -0.025 | -0.007 | 14.516 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 537 | ARG | 1 | 0.889 | 0.951 | 8.432 | 1.815 | 1.815 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 538 | GLY | 0 | 0.004 | -0.022 | 12.987 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 539 | ASN | 0 | 0.039 | -0.007 | 14.931 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 540 | GLY | 0 | -0.002 | -0.002 | 17.503 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 541 | ASN | 0 | -0.031 | 0.011 | 19.802 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 542 | SER | 0 | 0.003 | -0.008 | 22.578 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 543 | TYR | 0 | -0.030 | -0.014 | 21.757 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 544 | ASN | 0 | 0.004 | 0.010 | 26.594 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 545 | LEU | 0 | -0.008 | -0.002 | 24.989 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 546 | TYR | 0 | 0.012 | -0.006 | 27.999 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 547 | LEU | 0 | -0.001 | 0.002 | 26.914 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 548 | ARG | 1 | 0.829 | 0.907 | 30.050 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 549 | VAL | 0 | 0.008 | -0.010 | 31.324 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 550 | SER | 0 | 0.064 | 0.031 | 33.733 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 551 | SER | 0 | -0.022 | -0.019 | 36.482 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 552 | ILE | 0 | 0.030 | 0.032 | 38.884 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 553 | GLY | 0 | 0.021 | -0.004 | 42.324 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 554 | ASN | 0 | 0.008 | -0.001 | 41.683 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 555 | SER | 0 | 0.017 | 0.003 | 36.637 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 556 | THR | 0 | -0.063 | -0.045 | 35.730 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 557 | ILE | 0 | 0.014 | 0.017 | 30.951 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 558 | ARG | 1 | 0.944 | 0.972 | 30.969 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 559 | VAL | 0 | 0.030 | 0.015 | 26.078 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 560 | THR | 0 | -0.007 | 0.006 | 24.459 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 561 | ILE | 0 | 0.056 | 0.018 | 21.055 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 562 | ASN | 0 | -0.009 | 0.000 | 20.923 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 563 | GLY | 0 | 0.025 | 0.019 | 22.912 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 564 | ARG | 1 | 0.875 | 0.954 | 25.051 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 565 | VAL | 0 | 0.029 | 0.007 | 27.170 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 566 | TYR | 0 | -0.046 | -0.031 | 27.458 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 567 | THR | 0 | -0.008 | -0.016 | 31.640 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 568 | VAL | 0 | 0.005 | 0.012 | 33.876 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 569 | SER | 0 | 0.014 | -0.009 | 36.318 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 570 | ASN | 0 | -0.040 | -0.019 | 39.335 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 571 | VAL | 0 | 0.028 | 0.026 | 36.071 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 572 | ASN | 0 | 0.045 | 0.049 | 39.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 573 | THR | 0 | -0.011 | 0.010 | 38.297 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 574 | THR | 0 | -0.024 | -0.045 | 41.566 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 575 | THR | 0 | -0.019 | -0.018 | 44.718 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 576 | ASN | 0 | 0.021 | 0.032 | 43.631 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 577 | ASN | 0 | -0.012 | -0.005 | 41.253 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 578 | ASP | -1 | -0.804 | -0.902 | 38.989 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 579 | GLY | 0 | -0.052 | -0.030 | 41.525 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 580 | VAL | 0 | 0.003 | 0.002 | 38.519 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 581 | ASN | 0 | -0.068 | -0.043 | 40.428 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 582 | ASP | -1 | -0.721 | -0.858 | 35.384 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 583 | ASN | 0 | -0.013 | -0.018 | 35.983 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 584 | GLY | 0 | -0.006 | 0.011 | 39.013 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 585 | ALA | 0 | -0.049 | -0.016 | 36.674 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 586 | ARG | 1 | 0.893 | 0.930 | 38.610 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 587 | PHE | 0 | 0.020 | -0.001 | 35.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 588 | SER | 0 | 0.022 | 0.005 | 36.391 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 589 | ASP | -1 | -0.736 | -0.827 | 33.973 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 590 | ILE | 0 | -0.012 | -0.007 | 33.458 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 591 | ASN | 0 | -0.004 | -0.003 | 32.721 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 592 | ILE | 0 | -0.014 | -0.009 | 29.257 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 593 | GLY | 0 | 0.065 | 0.031 | 31.063 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 594 | ASN | 0 | -0.001 | 0.001 | 28.535 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 595 | ILE | 0 | -0.034 | 0.004 | 22.401 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 596 | VAL | 0 | 0.033 | 0.003 | 21.526 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 597 | ALA | 0 | 0.001 | 0.018 | 18.664 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 598 | SER | 0 | -0.010 | -0.022 | 16.878 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 599 | ASP | -1 | -0.722 | -0.867 | 15.869 | -0.737 | -0.737 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 600 | ASN | 0 | -0.110 | -0.009 | 11.478 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 601 | THR | 0 | -0.039 | -0.046 | 11.513 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 602 | ASN | 0 | -0.007 | -0.006 | 8.009 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 603 | VAL | 0 | 0.005 | 0.004 | 12.278 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 604 | THR | 0 | 0.005 | 0.003 | 15.956 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 605 | LEU | 0 | -0.030 | -0.014 | 17.861 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 606 | ASP | -1 | -0.802 | -0.860 | 21.123 | -0.524 | -0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 607 | ILE | 0 | 0.018 | 0.002 | 23.439 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 608 | ASN | 0 | -0.051 | -0.045 | 26.414 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 609 | VAL | 0 | 0.050 | 0.031 | 29.157 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 610 | THR | 0 | -0.059 | -0.023 | 32.288 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 611 | LEU | 0 | 0.022 | -0.005 | 35.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 612 | ASN | 0 | -0.022 | -0.003 | 38.065 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 613 | SER | 0 | 0.009 | 0.000 | 41.279 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 614 | GLY | 0 | -0.008 | 0.018 | 41.060 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 615 | THR | 0 | -0.023 | -0.015 | 40.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 616 | PRO | 0 | -0.002 | -0.013 | 36.878 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 617 | PHE | 0 | 0.025 | 0.017 | 31.269 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 618 | ASP | -1 | -0.861 | -0.919 | 32.882 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 619 | LEU | 0 | 0.016 | 0.003 | 26.302 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 620 | MET | 0 | -0.068 | -0.043 | 29.085 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 621 | ASN | 0 | 0.038 | 0.020 | 26.114 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 622 | ILE | 0 | 0.013 | 0.035 | 23.020 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 623 | MET | 0 | -0.031 | -0.010 | 24.796 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 624 | PHE | 0 | 0.010 | 0.012 | 21.799 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 625 | VAL | 0 | 0.022 | 0.009 | 25.620 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 626 | PRO | 0 | 0.062 | 0.033 | 27.255 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 627 | THR | 0 | -0.032 | -0.028 | 28.804 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 628 | ASN | 0 | 0.007 | 0.010 | 31.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 629 | LEU | 0 | -0.048 | -0.021 | 30.908 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 630 | PRO | 0 | -0.006 | 0.009 | 33.883 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 631 | PRO | 0 | 0.001 | -0.003 | 35.190 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 632 | LEU | 0 | -0.050 | -0.031 | 36.960 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 633 | TYR | 0 | 0.014 | 0.017 | 39.594 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |