FMODB ID: ZVZZN
Calculation Name: 2UUT-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2UUT
Chain ID: A
UniProt ID: Q69014
Base Structure: X-ray
Registration Date: 2023-09-23
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 492 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9209600.929554 |
---|---|
FMO2-HF: Nuclear repulsion | 9020178.451262 |
FMO2-HF: Total energy | -189422.478292 |
FMO2-MP2: Total energy | -189974.753205 |
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:ASP)
Summations of interaction energy for
fragment #1(A:1:ASP)
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. |
-70.351 | -68.117 | 0.043 | -1.128 | -1.149 | 0.006 |
Interaction energy analysis for fragmet #1(A:1:ASP)
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 | PHE | 0 | -0.025 | -0.017 | 3.864 | -1.941 | -0.066 | -0.009 | -0.917 | -0.949 | 0.005 |
4 | A | 4 | GLN | 0 | 0.009 | -0.005 | 6.180 | -2.976 | -2.976 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | TRP | 0 | 0.022 | 0.003 | 10.000 | -1.054 | -1.054 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | LYS | 1 | 0.830 | 0.888 | 12.766 | -15.188 | -15.188 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | GLY | 0 | 0.033 | 0.018 | 14.778 | -1.148 | -1.148 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | LEU | 0 | -0.057 | -0.010 | 13.543 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | PRO | 0 | 0.016 | 0.031 | 9.445 | 0.638 | 0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | VAL | 0 | -0.042 | -0.035 | 8.339 | -1.800 | -1.800 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | VAL | 0 | 0.069 | 0.042 | 3.167 | 2.512 | 2.871 | 0.052 | -0.211 | -0.200 | 0.001 |
12 | A | 12 | LYS | 1 | 0.833 | 0.890 | 4.924 | -29.689 | -29.689 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | SER | 0 | -0.034 | -0.033 | 6.564 | 1.471 | 1.471 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLY | 0 | 0.007 | 0.010 | 9.199 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LEU | 0 | -0.054 | -0.025 | 10.167 | -1.567 | -1.567 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ASP | -1 | -0.785 | -0.912 | 12.879 | 16.619 | 16.619 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | VAL | 0 | -0.027 | 0.001 | 15.423 | -0.789 | -0.789 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLY | 0 | 0.009 | 0.011 | 17.727 | -0.896 | -0.896 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | GLY | 0 | 0.026 | 0.016 | 19.083 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | MET | 0 | -0.064 | -0.031 | 20.024 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | PRO | 0 | 0.011 | 0.013 | 23.620 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | THR | 0 | 0.021 | 0.014 | 26.920 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLY | 0 | 0.020 | 0.015 | 29.824 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | THR | 0 | -0.050 | -0.053 | 32.410 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | ARG | 1 | 0.967 | 0.966 | 34.074 | -8.477 | -8.477 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | TYR | 0 | -0.034 | -0.005 | 36.679 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | HIS | 1 | 0.809 | 0.892 | 39.955 | -7.088 | -7.088 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ARG | 1 | 0.815 | 0.899 | 43.175 | -6.432 | -6.432 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | SER | 0 | -0.015 | -0.049 | 46.008 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | PRO | 0 | -0.007 | -0.019 | 48.919 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ALA | 0 | 0.001 | 0.029 | 51.615 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | TRP | 0 | -0.065 | -0.020 | 50.880 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | PRO | 0 | 0.022 | 0.011 | 50.723 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | GLU | -1 | -0.802 | -0.899 | 51.373 | 5.716 | 5.716 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | GLU | -1 | -0.921 | -0.951 | 46.944 | 6.676 | 6.676 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | GLN | 0 | -0.034 | -0.019 | 50.750 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | PRO | 0 | -0.004 | -0.003 | 51.397 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLY | 0 | 0.021 | 0.005 | 51.144 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLU | -1 | -0.804 | -0.867 | 47.016 | 6.587 | 6.587 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | THR | 0 | -0.029 | -0.029 | 43.207 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | HIS | 0 | -0.042 | -0.028 | 39.932 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | ALA | 0 | 0.060 | 0.041 | 40.047 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | PRO | 0 | -0.016 | -0.002 | 37.054 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ALA | 0 | 0.010 | 0.022 | 32.407 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | PRO | 0 | -0.027 | -0.006 | 30.910 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | PHE | 0 | -0.023 | 0.018 | 30.583 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | GLY | 0 | 0.038 | 0.013 | 29.214 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | SER | 0 | 0.011 | -0.003 | 29.651 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | GLY | 0 | 0.013 | 0.015 | 31.425 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ASP | -1 | -0.786 | -0.892 | 33.671 | 8.235 | 8.235 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | LYS | 1 | 0.953 | 0.968 | 35.407 | -7.849 | -7.849 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ARG | 1 | 0.856 | 0.913 | 36.452 | -8.221 | -8.221 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | TYR | 0 | -0.064 | -0.038 | 34.218 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | THR | 0 | 0.034 | 0.015 | 32.341 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | PHE | 0 | -0.001 | 0.006 | 28.894 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | SER | 0 | 0.069 | 0.046 | 23.295 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLN | 0 | 0.040 | -0.014 | 24.622 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | THR | 0 | -0.004 | -0.006 | 19.470 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | GLU | -1 | -0.810 | -0.889 | 20.632 | 13.025 | 13.025 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | MET | 0 | -0.040 | -0.006 | 22.540 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | LEU | 0 | 0.020 | 0.011 | 18.104 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | VAL | 0 | 0.029 | 0.013 | 17.246 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ASN | 0 | -0.038 | -0.032 | 19.772 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | GLY | 0 | -0.027 | -0.003 | 22.799 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | LEU | 0 | 0.005 | -0.004 | 16.322 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | LYS | 1 | 0.927 | 0.963 | 18.631 | -13.785 | -13.785 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | PRO | 0 | -0.038 | -0.032 | 19.375 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | TYR | 0 | 0.012 | 0.015 | 18.650 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | THR | 0 | 0.004 | -0.006 | 14.767 | 1.231 | 1.231 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | GLU | -1 | -0.925 | -0.954 | 16.314 | 16.201 | 16.201 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | PRO | 0 | -0.010 | -0.005 | 17.506 | -0.515 | -0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | THR | 0 | -0.040 | -0.005 | 20.273 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ALA | 0 | 0.027 | 0.010 | 24.058 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | -0.011 | -0.008 | 26.420 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | VAL | 0 | -0.010 | 0.001 | 28.093 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | PRO | 0 | 0.048 | 0.026 | 30.315 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | PRO | 0 | 0.059 | 0.010 | 29.067 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLN | 0 | 0.014 | 0.026 | 31.795 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | LEU | 0 | 0.023 | 0.023 | 35.576 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | LEU | 0 | 0.017 | 0.005 | 29.944 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | SER | 0 | -0.002 | -0.017 | 34.124 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ARG | 1 | 0.823 | 0.907 | 35.826 | -7.520 | -7.520 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ALA | 0 | 0.020 | 0.015 | 36.471 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | VAL | 0 | 0.027 | 0.002 | 33.477 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | THR | 0 | -0.022 | -0.004 | 36.831 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | HIS | 0 | 0.052 | 0.033 | 40.035 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | VAL | 0 | -0.001 | 0.005 | 37.178 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ARG | 1 | 0.859 | 0.913 | 38.443 | -7.754 | -7.754 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | SER | 0 | -0.013 | -0.008 | 40.171 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | TYR | 0 | -0.016 | -0.007 | 43.498 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ILE | 0 | 0.053 | 0.029 | 39.350 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | GLU | -1 | -0.794 | -0.876 | 42.750 | 7.250 | 7.250 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | THR | 0 | -0.099 | -0.054 | 44.991 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | ILE | 0 | -0.022 | 0.009 | 46.308 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ILE | 0 | -0.011 | -0.006 | 41.454 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | GLY | 0 | 0.032 | 0.034 | 46.077 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | THR | 0 | -0.014 | -0.031 | 44.709 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | HIS | 0 | 0.054 | 0.043 | 44.377 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ARG | 1 | 0.857 | 0.923 | 36.565 | -8.143 | -8.143 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | SER | 0 | -0.037 | -0.037 | 39.488 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | PRO | 0 | -0.005 | -0.007 | 39.159 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | VAL | 0 | -0.002 | 0.009 | 34.516 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LEU | 0 | -0.073 | -0.022 | 36.594 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | THR | 0 | -0.002 | -0.032 | 36.521 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | TYR | 0 | -0.020 | -0.046 | 31.575 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | HIS | 0 | 0.032 | 0.022 | 35.672 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLN | 0 | 0.097 | 0.064 | 38.107 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ALA | 0 | -0.031 | -0.018 | 33.495 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | CYS | 0 | -0.042 | -0.028 | 33.941 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | GLU | -1 | -0.864 | -0.931 | 35.016 | 7.402 | 7.402 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | LEU | 0 | -0.043 | -0.025 | 36.052 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | LEU | 0 | -0.080 | -0.022 | 29.934 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | GLU | -1 | -0.843 | -0.897 | 32.486 | 8.311 | 8.311 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ARG | 1 | 0.941 | 0.977 | 32.661 | -7.418 | -7.418 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | THR | 0 | -0.054 | -0.052 | 34.177 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | THR | 0 | -0.036 | -0.023 | 29.721 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | SER | 0 | -0.046 | -0.022 | 26.010 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | CYS | 0 | 0.035 | 0.021 | 25.751 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | GLY | 0 | 0.046 | 0.042 | 22.272 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | PRO | 0 | -0.112 | -0.063 | 17.217 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | PHE | 0 | -0.012 | -0.013 | 14.858 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | VAL | 0 | 0.025 | 0.016 | 19.868 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | GLN | 0 | 0.000 | 0.007 | 22.534 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | GLY | 0 | 0.075 | 0.049 | 25.398 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | LEU | 0 | -0.108 | -0.058 | 28.107 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | LYS | 1 | 0.854 | 0.908 | 28.398 | -10.015 | -10.015 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | GLY | 0 | 0.020 | 0.007 | 31.665 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ASP | -1 | -0.884 | -0.928 | 31.934 | 8.981 | 8.981 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | TYR | 0 | -0.084 | -0.058 | 28.399 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | TRP | 0 | -0.042 | -0.021 | 34.166 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ASP | -1 | -0.870 | -0.928 | 36.977 | 7.329 | 7.329 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | GLU | -1 | -0.774 | -0.910 | 40.026 | 7.273 | 7.273 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLU | -1 | -0.940 | -0.964 | 42.530 | 6.416 | 6.416 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLN | 0 | -0.093 | -0.037 | 41.830 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLN | 0 | -0.077 | -0.048 | 41.483 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | GLN | 0 | -0.022 | -0.012 | 37.287 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | TYR | 0 | 0.000 | -0.003 | 33.128 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | THR | 0 | 0.033 | 0.019 | 34.817 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | GLY | 0 | 0.014 | 0.000 | 32.859 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | VAL | 0 | -0.010 | -0.024 | 27.063 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | LEU | 0 | 0.002 | 0.009 | 27.458 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ALA | 0 | 0.058 | 0.047 | 28.974 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ASN | 0 | 0.046 | 0.024 | 26.466 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | HIS | 0 | -0.073 | -0.043 | 21.908 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | LEU | 0 | 0.002 | -0.001 | 26.062 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | GLU | -1 | -0.815 | -0.884 | 28.520 | 9.247 | 9.247 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | GLN | 0 | -0.044 | -0.020 | 24.925 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | ALA | 0 | 0.032 | 0.013 | 24.773 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | TRP | 0 | 0.056 | 0.022 | 25.707 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ASP | -1 | -0.794 | -0.874 | 28.250 | 10.646 | 10.646 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | LYS | 1 | 0.764 | 0.867 | 22.813 | -11.941 | -11.941 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ALA | 0 | 0.063 | 0.026 | 26.035 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ASN | 0 | -0.045 | -0.051 | 26.937 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | LYS | 1 | 0.785 | 0.886 | 27.066 | -10.804 | -10.804 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | GLY | 0 | -0.028 | 0.003 | 27.002 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ILE | 0 | -0.043 | -0.022 | 20.972 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | ALA | 0 | 0.051 | 0.024 | 20.721 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | PRO | 0 | -0.052 | -0.011 | 20.422 | 0.566 | 0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ARG | 1 | 0.909 | 0.939 | 15.842 | -15.534 | -15.534 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ASN | 0 | 0.062 | 0.065 | 17.791 | -1.247 | -1.247 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ALA | 0 | -0.011 | -0.002 | 15.832 | 0.718 | 0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | TYR | 0 | -0.049 | -0.051 | 17.287 | -1.281 | -1.281 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | LYS | 1 | 0.864 | 0.951 | 17.686 | -12.643 | -12.643 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | LEU | 0 | -0.010 | 0.015 | 16.504 | -0.711 | -0.711 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | ALA | 0 | -0.010 | -0.013 | 20.044 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | LEU | 0 | -0.006 | -0.007 | 23.244 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LYS | 1 | 0.899 | 0.952 | 26.216 | -10.655 | -10.655 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ASP | -1 | -0.761 | -0.836 | 29.604 | 8.685 | 8.685 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | GLU | -1 | -0.778 | -0.880 | 32.363 | 8.938 | 8.938 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | LEU | 0 | 0.052 | 0.026 | 35.308 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ARG | 1 | 0.842 | 0.909 | 33.680 | -8.639 | -8.639 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | PRO | 0 | 0.030 | 0.013 | 36.879 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ILE | 0 | 0.089 | 0.044 | 38.062 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLU | -1 | -0.806 | -0.915 | 38.999 | 7.833 | 7.833 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | LYS | 1 | 0.860 | 0.923 | 34.454 | -7.943 | -7.943 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | ASN | 0 | 0.055 | 0.017 | 34.013 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | LYS | 1 | 0.941 | 0.977 | 34.579 | -7.323 | -7.323 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ALA | 0 | -0.030 | -0.003 | 33.247 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLY | 0 | 0.053 | 0.029 | 30.495 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | LYS | 1 | 0.826 | 0.907 | 29.470 | -9.562 | -9.562 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | ARG | 1 | 0.824 | 0.879 | 28.371 | -10.515 | -10.515 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ARG | 1 | 0.878 | 0.931 | 27.586 | -9.043 | -9.043 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | LEU | 0 | 0.076 | 0.048 | 21.810 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | LEU | 0 | -0.063 | -0.027 | 24.222 | -0.557 | -0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | TRP | 0 | 0.054 | 0.027 | 17.982 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | GLY | 0 | 0.046 | 0.017 | 22.575 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | CYS | 0 | 0.014 | 0.003 | 21.929 | 0.620 | 0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ASP | -1 | -0.740 | -0.859 | 20.153 | 13.456 | 13.456 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ALA | 0 | 0.042 | 0.024 | 22.219 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ALA | 0 | 0.024 | 0.023 | 22.898 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | THR | 0 | 0.007 | -0.030 | 21.150 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | THR | 0 | -0.026 | -0.025 | 24.298 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | LEU | 0 | 0.010 | 0.034 | 27.362 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ILE | 0 | -0.005 | 0.002 | 26.177 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | ALA | 0 | 0.033 | 0.014 | 27.356 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | THR | 0 | -0.071 | -0.055 | 29.201 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ALA | 0 | 0.002 | -0.004 | 32.123 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | 0.002 | 0.020 | 31.000 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | PHE | 0 | 0.058 | 0.013 | 29.324 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.954 | 0.985 | 34.316 | -8.050 | -8.050 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ALA | 0 | 0.037 | 0.032 | 36.639 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | VAL | 0 | -0.022 | 0.017 | 36.718 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | ALA | 0 | 0.009 | -0.011 | 36.088 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | THR | 0 | -0.019 | -0.031 | 38.195 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ARG | 1 | 0.814 | 0.900 | 41.474 | -7.513 | -7.513 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | LEU | 0 | 0.004 | 0.007 | 38.361 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | GLN | 0 | 0.006 | -0.001 | 41.477 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | VAL | 0 | -0.058 | -0.032 | 43.247 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | VAL | 0 | 0.012 | 0.018 | 45.234 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | THR | 0 | -0.040 | 0.013 | 44.375 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | PRO | 0 | -0.006 | -0.013 | 46.393 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | MET | 0 | -0.012 | -0.018 | 47.541 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | THR | 0 | 0.002 | -0.013 | 42.084 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | PRO | 0 | 0.031 | 0.018 | 41.324 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | VAL | 0 | -0.016 | 0.006 | 37.915 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ALA | 0 | 0.048 | 0.036 | 40.295 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | VAL | 0 | -0.058 | -0.048 | 36.872 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | GLY | 0 | 0.001 | 0.000 | 40.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | ILE | 0 | -0.027 | -0.001 | 42.441 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | ASN | 0 | 0.031 | 0.029 | 45.369 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | MET | 0 | -0.013 | -0.015 | 45.695 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ASP | -1 | -0.771 | -0.822 | 48.581 | 6.163 | 6.163 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | SER | 0 | 0.062 | 0.016 | 51.134 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | VAL | 0 | 0.059 | 0.015 | 53.584 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | GLN | 0 | 0.038 | 0.023 | 47.850 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | MET | 0 | -0.026 | 0.019 | 50.313 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | GLN | 0 | 0.009 | -0.006 | 51.455 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | VAL | 0 | 0.052 | 0.026 | 52.581 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | MET | 0 | -0.023 | 0.007 | 45.493 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ASN | 0 | -0.009 | -0.011 | 50.990 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ASP | -1 | -0.849 | -0.932 | 53.322 | 5.481 | 5.481 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | SER | 0 | -0.033 | -0.017 | 50.909 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | LEU | 0 | 0.007 | 0.004 | 49.005 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LYS | 1 | 0.769 | 0.904 | 52.740 | -5.654 | -5.654 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | GLY | 0 | 0.048 | 0.018 | 56.406 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | GLY | 0 | -0.011 | 0.010 | 53.102 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | VAL | 0 | -0.066 | -0.035 | 51.109 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LEU | 0 | 0.035 | 0.020 | 48.894 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | TYR | 0 | -0.009 | -0.015 | 45.513 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | CYS | 0 | -0.005 | 0.011 | 44.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | LEU | 0 | -0.046 | -0.017 | 39.923 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ASP | -1 | -0.888 | -0.941 | 37.563 | 8.195 | 8.195 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | TYR | 0 | -0.012 | -0.026 | 33.829 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | SER | 0 | 0.008 | 0.009 | 33.239 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | LYS | 1 | 0.859 | 0.931 | 25.875 | -11.021 | -11.021 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | TRP | 0 | 0.103 | 0.067 | 28.390 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ASP | -1 | -0.848 | -0.917 | 26.389 | 10.762 | 10.762 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | SER | 0 | -0.096 | -0.056 | 23.945 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | THR | 0 | -0.033 | -0.025 | 24.214 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | GLN | 0 | 0.038 | 0.026 | 25.304 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ASN | 0 | 0.035 | 0.008 | 24.186 | 0.524 | 0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | PRO | 0 | 0.049 | 0.021 | 20.447 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | ALA | 0 | 0.045 | 0.032 | 23.283 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | VAL | 0 | -0.026 | -0.010 | 25.990 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | THR | 0 | 0.015 | 0.002 | 25.174 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | ALA | 0 | 0.026 | 0.012 | 25.109 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ALA | 0 | -0.002 | 0.005 | 27.009 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | SER | 0 | -0.006 | -0.045 | 30.157 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | LEU | 0 | -0.041 | -0.009 | 25.950 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | ALA | 0 | 0.066 | 0.039 | 30.201 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ILE | 0 | -0.062 | -0.032 | 32.123 | -0.360 | -0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | LEU | 0 | -0.030 | -0.018 | 31.704 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | GLU | -1 | -0.892 | -0.954 | 32.027 | 9.624 | 9.624 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ARG | 1 | 0.728 | 0.860 | 34.185 | -7.794 | -7.794 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | PHE | 0 | -0.037 | -0.022 | 37.464 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ALA | 0 | 0.055 | 0.032 | 35.292 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | GLU | -1 | -0.846 | -0.920 | 37.251 | 8.114 | 8.114 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | PRO | 0 | -0.033 | -0.028 | 35.126 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | HIS | 0 | 0.061 | 0.053 | 33.653 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | PRO | 0 | 0.046 | 0.014 | 29.893 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ILE | 0 | 0.028 | 0.025 | 28.895 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | VAL | 0 | 0.015 | 0.004 | 29.084 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | SER | 0 | 0.025 | 0.016 | 26.858 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | CYS | 0 | -0.058 | -0.008 | 24.846 | 0.544 | 0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | ALA | 0 | -0.015 | -0.010 | 24.435 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | ILE | 0 | -0.002 | 0.002 | 25.630 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLU | -1 | -0.910 | -0.935 | 20.781 | 14.545 | 14.545 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | ALA | 0 | 0.011 | 0.002 | 20.631 | 0.621 | 0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | LEU | 0 | -0.055 | -0.037 | 20.995 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | SER | 0 | -0.052 | -0.043 | 22.598 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | SER | 0 | -0.042 | -0.011 | 17.139 | 0.635 | 0.635 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | PRO | 0 | 0.001 | -0.010 | 14.319 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | ALA | 0 | 0.000 | 0.014 | 16.268 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | GLU | -1 | -0.806 | -0.868 | 11.046 | 24.498 | 24.498 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | GLY | 0 | 0.004 | -0.023 | 14.455 | -1.169 | -1.169 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | TYR | 0 | -0.021 | -0.042 | 12.277 | 1.193 | 1.193 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | VAL | 0 | -0.038 | -0.035 | 14.192 | -1.458 | -1.458 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | ASN | 0 | -0.042 | -0.023 | 14.345 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | ASP | -1 | -0.692 | -0.829 | 10.951 | 23.067 | 23.067 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ILE | 0 | -0.048 | 0.008 | 9.445 | 2.018 | 2.018 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | LYS | 1 | 0.844 | 0.897 | 8.124 | -28.557 | -28.557 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | PHE | 0 | 0.021 | 0.010 | 9.716 | 1.728 | 1.728 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | VAL | 0 | 0.030 | 0.007 | 9.948 | -0.752 | -0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | THR | 0 | -0.048 | -0.012 | 12.627 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | ARG | 1 | 0.847 | 0.915 | 9.146 | -24.178 | -24.178 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | GLY | 0 | -0.003 | 0.012 | 16.012 | -0.539 | -0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | GLY | 0 | -0.016 | -0.003 | 19.826 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | LEU | 0 | 0.012 | -0.005 | 21.647 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | PRO | 0 | 0.011 | 0.020 | 20.964 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | SER | 0 | -0.003 | -0.018 | 23.015 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | GLY | 0 | -0.040 | -0.016 | 25.145 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | MET | 0 | 0.007 | 0.025 | 24.233 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | PRO | 0 | 0.057 | 0.012 | 25.337 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | PHE | 0 | 0.010 | 0.010 | 28.313 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | THR | 0 | -0.027 | 0.007 | 28.491 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | SER | 0 | 0.043 | 0.008 | 29.947 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | VAL | 0 | -0.002 | 0.022 | 33.474 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | VAL | 0 | 0.057 | 0.025 | 28.088 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | ASN | 0 | -0.002 | 0.001 | 28.568 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | SER | 0 | 0.013 | -0.007 | 31.704 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | ILE | 0 | 0.017 | 0.017 | 33.682 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | ASN | 0 | 0.013 | 0.008 | 27.924 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | HIS | 0 | -0.006 | 0.010 | 32.446 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | MET | 0 | -0.051 | -0.002 | 35.247 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | ILE | 0 | 0.016 | 0.009 | 32.616 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | TYR | 0 | 0.006 | -0.014 | 28.455 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | VAL | 0 | 0.008 | 0.005 | 34.967 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | ALA | 0 | 0.014 | 0.012 | 38.682 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | ALA | 0 | 0.003 | -0.005 | 35.947 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | ALA | 0 | 0.002 | 0.007 | 37.651 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | ILE | 0 | 0.021 | 0.015 | 39.002 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | LEU | 0 | -0.016 | -0.007 | 40.632 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | GLN | 0 | 0.035 | 0.018 | 36.143 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | ALA | 0 | -0.028 | -0.008 | 40.922 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | TYR | 0 | -0.001 | -0.028 | 43.572 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | GLU | -1 | -0.917 | -0.939 | 40.867 | 7.556 | 7.556 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | SER | 0 | -0.018 | -0.010 | 42.693 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | HIS | 0 | -0.036 | -0.017 | 44.623 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | ASN | 0 | -0.061 | -0.028 | 47.615 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | VAL | 0 | 0.014 | 0.016 | 49.019 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | PRO | 0 | -0.021 | -0.013 | 49.172 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | TYR | 0 | -0.027 | -0.043 | 47.105 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | THR | 0 | -0.026 | -0.022 | 48.980 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | GLY | 0 | 0.035 | 0.028 | 50.073 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | ASN | 0 | -0.026 | -0.031 | 44.600 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | VAL | 0 | 0.082 | 0.026 | 42.821 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | PHE | 0 | -0.030 | -0.015 | 40.285 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | GLN | 0 | -0.046 | -0.019 | 46.290 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | VAL | 0 | -0.026 | 0.001 | 49.163 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | GLU | -1 | -0.710 | -0.816 | 46.325 | 6.448 | 6.448 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | THR | 0 | -0.001 | 0.012 | 47.760 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ILE | 0 | -0.066 | -0.039 | 41.670 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | HIS | 0 | 0.018 | 0.004 | 43.589 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | THR | 0 | -0.056 | -0.048 | 38.127 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | TYR | 0 | 0.080 | 0.024 | 36.074 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | GLY | 0 | -0.003 | -0.013 | 34.005 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | GLY | 0 | 0.005 | 0.008 | 34.572 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | ASP | -1 | -0.829 | -0.902 | 35.212 | 7.412 | 7.412 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | CYS | 0 | -0.036 | -0.034 | 38.844 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | MET | 0 | 0.002 | 0.017 | 41.198 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | TYR | 0 | -0.008 | -0.022 | 39.028 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | SER | 0 | -0.020 | -0.023 | 45.881 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | VAL | 0 | -0.024 | -0.004 | 46.785 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | CYS | 0 | -0.001 | 0.027 | 49.900 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | PRO | 0 | 0.043 | -0.010 | 52.115 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | ALA | 0 | 0.021 | 0.026 | 52.715 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | THR | 0 | 0.046 | 0.002 | 46.748 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | ALA | 0 | -0.046 | -0.020 | 48.547 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | SER | 0 | -0.094 | -0.054 | 50.346 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | ILE | 0 | 0.047 | 0.031 | 47.111 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | PHE | 0 | 0.011 | -0.002 | 43.530 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | HIS | 0 | 0.010 | 0.004 | 43.812 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | THR | 0 | 0.015 | 0.000 | 41.931 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 364 | VAL | 0 | -0.004 | 0.021 | 41.113 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 365 | LEU | 0 | 0.010 | -0.003 | 39.631 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 366 | ALA | 0 | -0.003 | -0.002 | 38.208 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 367 | ASN | 0 | -0.027 | -0.009 | 36.827 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 368 | LEU | 0 | 0.035 | 0.025 | 35.166 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 369 | THR | 0 | -0.035 | -0.020 | 33.294 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 370 | SER | 0 | -0.102 | -0.049 | 32.346 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 371 | TYR | 0 | 0.005 | -0.021 | 30.512 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 372 | GLY | 0 | 0.013 | 0.015 | 28.205 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 373 | LEU | 0 | -0.044 | -0.012 | 29.243 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 374 | LYS | 1 | 0.867 | 0.915 | 28.427 | -10.420 | -10.420 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 375 | PRO | 0 | 0.044 | 0.032 | 33.483 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 376 | THR | 0 | -0.035 | -0.022 | 36.329 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 377 | ALA | 0 | 0.015 | -0.010 | 38.870 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 378 | ILE | 0 | -0.024 | -0.012 | 41.366 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 379 | LYS | 1 | 0.965 | 0.988 | 44.635 | -6.154 | -6.154 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 380 | PRO | 0 | 0.011 | 0.005 | 48.039 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 381 | THR | 0 | -0.024 | -0.007 | 49.084 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 382 | ASN | 0 | 0.015 | 0.002 | 51.738 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 383 | THR | 0 | -0.009 | 0.003 | 51.868 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 384 | PRO | 0 | 0.009 | 0.004 | 49.880 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 385 | VAL | 0 | -0.033 | -0.031 | 45.202 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 386 | PHE | 0 | 0.029 | 0.008 | 41.521 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 387 | LEU | 0 | 0.037 | 0.019 | 40.216 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 388 | LYS | 1 | 0.760 | 0.851 | 41.217 | -7.103 | -7.103 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 389 | ARG | 1 | 0.784 | 0.890 | 43.739 | -6.619 | -6.619 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 390 | THR | 0 | 0.031 | 0.003 | 47.417 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 391 | PHE | 0 | -0.040 | -0.019 | 48.201 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 392 | THR | 0 | -0.011 | -0.008 | 52.757 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 393 | GLN | 0 | -0.009 | -0.011 | 56.233 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 394 | THR | 0 | 0.017 | -0.001 | 58.779 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 395 | PRO | 0 | -0.020 | -0.029 | 61.629 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 396 | HIS | 0 | 0.035 | 0.036 | 62.306 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 397 | GLY | 0 | 0.040 | 0.037 | 60.971 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 398 | ILE | 0 | -0.020 | -0.006 | 56.232 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 399 | ARG | 1 | 0.882 | 0.938 | 55.010 | -5.386 | -5.386 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 400 | ALA | 0 | 0.066 | 0.036 | 49.668 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 401 | LEU | 0 | 0.006 | 0.015 | 50.678 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 402 | LEU | 0 | 0.043 | 0.026 | 45.914 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 403 | ASP | -1 | -0.807 | -0.879 | 46.077 | 6.665 | 6.665 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 404 | ILE | 0 | 0.098 | 0.042 | 49.286 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 405 | THR | 0 | 0.018 | 0.009 | 47.783 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 406 | SER | 0 | -0.068 | -0.070 | 45.527 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 407 | ILE | 0 | 0.027 | 0.039 | 46.857 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 408 | THR | 0 | 0.039 | 0.007 | 49.686 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 409 | ARG | 1 | 0.884 | 0.950 | 43.292 | -6.934 | -6.934 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 410 | GLN | 0 | -0.018 | -0.009 | 45.329 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 411 | PHE | 0 | 0.038 | 0.033 | 47.292 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 412 | TYR | 0 | 0.007 | 0.003 | 48.070 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 413 | TRP | 0 | -0.052 | -0.022 | 42.556 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 414 | LEU | 0 | 0.020 | 0.024 | 44.618 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 415 | LYS | 1 | 0.829 | 0.908 | 35.663 | -8.077 | -8.077 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 416 | ALA | 0 | 0.034 | 0.024 | 40.809 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 417 | ASN | 0 | 0.048 | 0.026 | 39.756 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 418 | ARG | 1 | 0.804 | 0.884 | 30.369 | -9.260 | -9.260 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 419 | THR | 0 | 0.007 | 0.019 | 37.066 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 420 | SER | 0 | -0.035 | -0.032 | 35.175 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 421 | ASP | -1 | -0.767 | -0.866 | 37.027 | 7.119 | 7.119 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 422 | PRO | 0 | -0.053 | -0.017 | 39.166 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 423 | SER | 0 | -0.019 | -0.022 | 41.872 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 424 | SER | 0 | 0.022 | 0.011 | 42.763 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 425 | PRO | 0 | 0.057 | 0.020 | 45.353 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 426 | PRO | 0 | -0.063 | -0.004 | 44.855 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 427 | ALA | 0 | 0.016 | -0.002 | 44.407 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 428 | PHE | 0 | -0.016 | -0.032 | 44.658 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 429 | ASP | -1 | -0.806 | -0.904 | 46.851 | 6.197 | 6.197 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 430 | ARG | 1 | 0.888 | 0.921 | 49.254 | -5.895 | -5.895 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 431 | GLN | 0 | -0.005 | 0.022 | 51.240 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 432 | ALA | 0 | 0.023 | 0.012 | 46.796 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 433 | ARG | 1 | 0.713 | 0.818 | 47.846 | -6.290 | -6.290 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 434 | SER | 0 | 0.025 | -0.019 | 49.685 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 435 | ALA | 0 | 0.020 | 0.013 | 50.236 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 436 | GLN | 0 | -0.022 | -0.006 | 45.428 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 437 | LEU | 0 | -0.021 | -0.021 | 49.339 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 438 | GLU | -1 | -0.734 | -0.855 | 52.254 | 5.327 | 5.327 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 439 | ASN | 0 | 0.002 | -0.005 | 50.083 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 440 | ALA | 0 | -0.029 | -0.008 | 50.476 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 441 | LEU | 0 | -0.014 | -0.011 | 51.997 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 442 | ALA | 0 | 0.021 | 0.020 | 54.571 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 443 | TYR | 0 | -0.078 | -0.064 | 48.702 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 444 | ALA | 0 | -0.033 | -0.018 | 53.800 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 445 | SER | 0 | -0.007 | -0.014 | 55.907 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 446 | GLN | 0 | 0.023 | 0.001 | 56.000 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 447 | HIS | 0 | -0.050 | -0.017 | 52.733 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 448 | GLY | 0 | 0.008 | 0.019 | 58.099 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 449 | PRO | 0 | 0.004 | -0.007 | 61.412 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 450 | VAL | 0 | 0.020 | 0.006 | 62.730 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 451 | MET | 0 | 0.003 | -0.002 | 57.822 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 452 | PHE | 0 | -0.009 | 0.004 | 58.552 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 453 | ASP | -1 | -0.823 | -0.903 | 59.927 | 4.927 | 4.927 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 454 | THR | 0 | -0.028 | 0.001 | 57.974 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 455 | VAL | 0 | 0.024 | -0.002 | 54.777 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 456 | ARG | 1 | 0.848 | 0.931 | 57.191 | -4.826 | -4.826 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 457 | GLN | 0 | 0.012 | 0.001 | 59.929 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 458 | ILE | 0 | -0.003 | 0.004 | 54.113 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 459 | ALA | 0 | 0.018 | 0.016 | 56.016 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 460 | ILE | 0 | -0.011 | -0.003 | 57.041 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 461 | LYS | 1 | 0.783 | 0.875 | 55.900 | -5.573 | -5.573 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 462 | THR | 0 | 0.015 | -0.015 | 52.616 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 463 | ALA | 0 | -0.003 | -0.003 | 55.624 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 464 | GLN | 0 | -0.043 | -0.023 | 57.286 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 465 | GLY | 0 | 0.018 | 0.015 | 56.325 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 466 | GLU | -1 | -0.768 | -0.830 | 50.853 | 6.209 | 6.209 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 467 | GLY | 0 | -0.004 | 0.012 | 54.336 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 468 | LEU | 0 | -0.063 | -0.033 | 52.647 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 469 | VAL | 0 | 0.013 | 0.002 | 56.703 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 470 | LEU | 0 | -0.043 | -0.004 | 55.133 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 471 | VAL | 0 | 0.011 | -0.001 | 59.056 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 472 | ASN | 0 | -0.042 | -0.029 | 56.639 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 473 | THR | 0 | 0.006 | -0.014 | 60.197 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 474 | ASN | 0 | -0.049 | -0.050 | 61.952 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 475 | TYR | 0 | 0.034 | 0.004 | 61.576 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 476 | ASP | -1 | -0.813 | -0.905 | 63.246 | 4.729 | 4.729 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 477 | GLN | 0 | 0.018 | 0.016 | 62.790 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 478 | ALA | 0 | -0.018 | 0.007 | 59.060 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 479 | LEU | 0 | -0.020 | -0.016 | 59.256 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 480 | ALA | 0 | -0.026 | -0.003 | 60.988 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 481 | THR | 0 | 0.000 | -0.014 | 57.563 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 482 | TYR | 0 | -0.024 | -0.036 | 53.027 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 483 | ASN | 0 | -0.028 | -0.022 | 56.992 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 484 | ALA | 0 | -0.007 | -0.002 | 58.704 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 485 | TRP | 0 | -0.007 | 0.002 | 52.177 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 486 | PHE | 0 | -0.025 | -0.015 | 54.712 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 487 | ILE | 0 | -0.054 | -0.039 | 56.392 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 488 | GLY | 0 | -0.008 | 0.011 | 57.168 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 489 | GLY | 0 | -0.028 | -0.008 | 53.176 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 490 | THR | 0 | -0.060 | -0.038 | 51.527 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 491 | PRO | 0 | 0.001 | 0.003 | 47.467 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 492 | ASP | -1 | -0.848 | -0.878 | 46.093 | 6.368 | 6.368 | 0.000 | 0.000 | 0.000 | 0.000 |