FMODB ID: M31RZ
Calculation Name: 3WDO-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3WDO
Chain ID: A
UniProt ID: A0A140
Base Structure: X-ray
Registration Date: 2023-06-19
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 | 453 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7844622.444295 |
---|---|
FMO2-HF: Nuclear repulsion | 7673704.161222 |
FMO2-HF: Total energy | -170918.283073 |
FMO2-MP2: Total energy | -171413.24111 |
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:3:ASP)
Summations of interaction energy for
fragment #1(A:3: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. |
-262.671 | -263.66 | 27.407 | -14.434 | -11.982 | 0.16 |
Interaction energy analysis for fragmet #1(A:3: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 | 5 | LYS | 1 | 0.816 | 0.884 | 1.793 | -163.107 | -165.514 | 27.157 | -13.985 | -10.764 | 0.157 |
4 | A | 6 | MET | 0 | 0.023 | 0.010 | 5.526 | -4.695 | -4.682 | -0.001 | -0.006 | -0.006 | 0.000 |
5 | A | 7 | THR | 0 | -0.024 | -0.030 | 7.657 | -1.784 | -1.784 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | PRO | 0 | 0.047 | 0.016 | 9.139 | -1.856 | -1.856 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | GLY | 0 | 0.028 | 0.008 | 12.400 | -1.765 | -1.765 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | GLU | -1 | -0.660 | -0.778 | 10.058 | 28.387 | 28.387 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | ARG | 1 | 0.992 | 1.010 | 12.474 | -23.504 | -23.504 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | ARG | 1 | 0.954 | 0.986 | 14.968 | -17.477 | -17.477 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | ALA | 0 | 0.019 | 0.007 | 17.194 | -1.086 | -1.086 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | THR | 0 | 0.020 | -0.004 | 16.345 | -0.862 | -0.862 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | TRP | 0 | -0.014 | -0.005 | 17.665 | -0.970 | -0.970 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | GLY | 0 | 0.002 | 0.025 | 20.897 | -0.817 | -0.817 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | LEU | 0 | 0.002 | -0.011 | 21.350 | -0.671 | -0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | GLY | 0 | 0.038 | 0.017 | 22.875 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | THR | 0 | -0.029 | -0.022 | 24.399 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | VAL | 0 | -0.014 | -0.010 | 26.687 | -0.513 | -0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | PHE | 0 | -0.018 | 0.000 | 27.235 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | SER | 0 | 0.055 | 0.013 | 28.439 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | LEU | 0 | -0.046 | -0.016 | 30.132 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | ARG | 1 | 0.827 | 0.907 | 32.529 | -9.208 | -9.208 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | MET | 0 | -0.027 | -0.009 | 31.089 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | LEU | 0 | 0.009 | 0.008 | 33.553 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | GLY | 0 | 0.008 | 0.000 | 35.763 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | MET | 0 | -0.043 | -0.013 | 36.765 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | PHE | 0 | 0.013 | -0.015 | 32.907 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | MET | 0 | -0.023 | -0.001 | 38.604 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | VAL | 0 | -0.002 | -0.003 | 40.840 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | LEU | 0 | -0.024 | 0.004 | 39.852 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | PRO | 0 | 0.045 | 0.026 | 42.486 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | VAL | 0 | -0.012 | 0.007 | 45.162 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | LEU | 0 | 0.011 | -0.012 | 47.145 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | THR | 0 | 0.018 | 0.005 | 47.914 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | THR | 0 | -0.083 | -0.033 | 48.905 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | TYR | 0 | -0.029 | -0.027 | 49.272 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | GLY | 0 | 0.028 | 0.021 | 52.516 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | MET | 0 | -0.065 | -0.033 | 53.923 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | ALA | 0 | 0.018 | 0.028 | 56.315 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | LEU | 0 | -0.006 | -0.010 | 53.589 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | GLN | 0 | -0.038 | -0.050 | 58.234 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | GLY | 0 | 0.005 | -0.021 | 59.345 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | ALA | 0 | 0.025 | 0.026 | 58.392 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | SER | 0 | 0.003 | -0.001 | 58.809 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | GLU | -1 | -0.801 | -0.917 | 55.639 | 5.938 | 5.938 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | ALA | 0 | -0.003 | 0.003 | 54.456 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | LEU | 0 | -0.009 | -0.010 | 54.018 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | ILE | 0 | 0.017 | 0.018 | 52.101 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | GLY | 0 | 0.035 | 0.028 | 50.147 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | ILE | 0 | -0.013 | -0.016 | 49.118 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | ALA | 0 | -0.010 | 0.000 | 49.020 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | ILE | 0 | 0.003 | 0.013 | 44.661 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | GLY | 0 | 0.047 | 0.022 | 44.735 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | ILE | 0 | -0.016 | -0.020 | 44.736 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | TYR | 0 | -0.009 | 0.003 | 37.029 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | GLY | 0 | 0.008 | -0.005 | 40.309 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | LEU | 0 | 0.018 | 0.013 | 40.739 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | THR | 0 | -0.032 | -0.040 | 42.520 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | GLN | 0 | 0.044 | 0.041 | 36.228 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | ALA | 0 | -0.008 | 0.003 | 37.622 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | VAL | 0 | -0.006 | 0.000 | 38.492 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | PHE | 0 | 0.005 | -0.008 | 39.369 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | GLN | 0 | -0.033 | -0.009 | 33.175 | 0.470 | 0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | ILE | 0 | 0.035 | 0.013 | 34.172 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | PRO | 0 | -0.034 | -0.008 | 35.198 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | PHE | 0 | 0.016 | 0.003 | 35.071 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | GLY | 0 | 0.062 | 0.030 | 31.481 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | LEU | 0 | -0.001 | 0.013 | 31.460 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | LEU | 0 | -0.029 | -0.018 | 33.356 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | SER | 0 | -0.030 | -0.024 | 30.141 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | ASP | -1 | -0.758 | -0.846 | 27.897 | 11.304 | 11.304 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | ARG | 1 | 0.893 | 0.954 | 30.059 | -8.266 | -8.266 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | ILE | 0 | -0.014 | -0.025 | 32.408 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | GLY | 0 | 0.048 | 0.037 | 29.979 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | ARG | 1 | 0.752 | 0.853 | 24.787 | -12.151 | -12.151 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | LYS | 1 | 0.846 | 0.915 | 25.082 | -12.555 | -12.555 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | PRO | 0 | 0.029 | 0.014 | 28.753 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | LEU | 0 | 0.044 | 0.021 | 32.140 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | ILE | 0 | -0.015 | 0.007 | 27.291 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | VAL | 0 | 0.023 | 0.011 | 31.544 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | GLY | 0 | 0.013 | 0.009 | 33.796 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | GLY | 0 | 0.029 | 0.012 | 35.564 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | LEU | 0 | 0.009 | -0.007 | 31.635 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | ALA | 0 | -0.002 | 0.006 | 36.133 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | VAL | 0 | -0.005 | 0.002 | 39.188 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | PHE | 0 | -0.005 | -0.005 | 36.563 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | ALA | 0 | 0.009 | -0.003 | 39.476 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | ALA | 0 | -0.003 | 0.001 | 41.145 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | GLY | 0 | 0.036 | 0.002 | 43.888 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | SER | 0 | -0.006 | -0.022 | 42.483 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | VAL | 0 | -0.030 | -0.003 | 44.615 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | ILE | 0 | -0.009 | 0.000 | 46.932 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | ALA | 0 | 0.012 | 0.013 | 47.152 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | ALA | 0 | -0.034 | -0.017 | 47.378 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | LEU | 0 | -0.047 | -0.034 | 49.388 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | SER | 0 | -0.071 | -0.029 | 52.232 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | ASP | -1 | -0.823 | -0.900 | 54.108 | 5.654 | 5.654 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | SER | 0 | -0.020 | 0.006 | 56.457 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | ILE | 0 | 0.020 | 0.011 | 53.268 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | TRP | 0 | 0.011 | -0.016 | 53.984 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | GLY | 0 | 0.019 | 0.021 | 53.900 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | ILE | 0 | 0.018 | 0.007 | 49.680 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | ILE | 0 | -0.021 | 0.000 | 49.308 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | LEU | 0 | 0.003 | 0.014 | 49.239 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | GLY | 0 | 0.064 | 0.020 | 48.003 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | ARG | 1 | 0.852 | 0.913 | 42.459 | -7.177 | -7.177 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | ALA | 0 | 0.000 | 0.009 | 44.392 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | LEU | 0 | 0.025 | 0.031 | 44.488 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | GLN | 0 | 0.007 | 0.001 | 41.528 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | GLY | 0 | 0.019 | 0.012 | 40.127 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | SER | 0 | -0.061 | -0.046 | 39.517 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | GLY | 0 | 0.024 | 0.029 | 38.926 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | ALA | 0 | -0.053 | -0.035 | 35.677 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | ILE | 0 | 0.013 | -0.002 | 31.167 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | ALA | 0 | 0.005 | 0.014 | 29.578 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | ALA | 0 | 0.023 | 0.016 | 28.224 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | ALA | 0 | 0.031 | 0.015 | 27.804 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | VAL | 0 | 0.002 | -0.012 | 26.235 | 0.465 | 0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | MET | 0 | 0.026 | 0.015 | 23.714 | 0.544 | 0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | ALA | 0 | 0.019 | 0.022 | 22.664 | 0.664 | 0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | LEU | 0 | -0.024 | -0.010 | 22.656 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | LEU | 0 | 0.004 | 0.003 | 18.652 | 0.673 | 0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | SER | 0 | -0.042 | -0.016 | 18.480 | 1.223 | 1.223 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | ASP | -1 | -0.818 | -0.911 | 17.811 | 14.574 | 14.574 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | LEU | 0 | -0.029 | -0.001 | 17.155 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | THR | 0 | -0.085 | -0.053 | 14.216 | 1.209 | 1.209 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | ARG | 1 | 0.863 | 0.911 | 5.854 | -37.139 | -37.139 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | GLU | -1 | -0.769 | -0.871 | 11.381 | 20.769 | 20.769 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | GLN | 0 | -0.023 | -0.023 | 5.521 | -3.258 | -3.258 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | ASN | 0 | -0.065 | -0.060 | 8.580 | 2.358 | 2.358 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | ARG | 1 | 0.841 | 0.944 | 11.536 | -19.387 | -19.387 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | THR | 0 | 0.068 | 0.013 | 14.452 | -1.308 | -1.308 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | LYS | 1 | 0.848 | 0.933 | 7.931 | -33.065 | -33.065 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | ALA | 0 | -0.005 | -0.006 | 14.747 | -0.726 | -0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | MET | 0 | -0.003 | 0.000 | 16.938 | -1.057 | -1.057 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | ALA | 0 | 0.042 | 0.015 | 17.780 | -0.815 | -0.815 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | PHE | 0 | -0.044 | -0.007 | 18.929 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | ILE | 0 | 0.016 | 0.004 | 20.694 | -0.631 | -0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | GLY | 0 | 0.013 | 0.011 | 22.959 | -0.564 | -0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | VAL | 0 | 0.007 | -0.005 | 21.720 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | SER | 0 | -0.056 | -0.012 | 24.550 | -0.610 | -0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | PHE | 0 | 0.022 | 0.021 | 26.439 | -0.515 | -0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | GLY | 0 | 0.048 | 0.030 | 28.302 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | ILE | 0 | 0.004 | -0.009 | 25.861 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | THR | 0 | -0.045 | -0.039 | 29.550 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | PHE | 0 | 0.024 | 0.010 | 31.828 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | ALA | 0 | 0.016 | 0.011 | 33.146 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | ILE | 0 | -0.008 | -0.010 | 31.528 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | ALA | 0 | -0.010 | -0.014 | 35.415 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | MET | 0 | -0.010 | -0.004 | 37.552 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | VAL | 0 | -0.011 | 0.014 | 38.589 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | LEU | 0 | -0.003 | -0.019 | 37.352 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | GLY | 0 | 0.011 | 0.014 | 41.050 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | PRO | 0 | 0.050 | 0.003 | 42.699 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | ILE | 0 | -0.024 | 0.001 | 42.555 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | ILE | 0 | 0.002 | -0.015 | 43.062 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | THR | 0 | -0.026 | -0.023 | 45.543 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | HIS | 0 | 0.013 | 0.031 | 48.280 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | LYS | 1 | 0.837 | 0.919 | 47.393 | -6.660 | -6.660 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | LEU | 0 | 0.001 | 0.009 | 46.656 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | GLY | 0 | 0.053 | 0.032 | 50.340 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | LEU | 0 | 0.063 | 0.023 | 48.916 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | HIS | 0 | 0.007 | 0.000 | 48.724 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | ALA | 0 | 0.000 | 0.001 | 47.731 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | LEU | 0 | 0.015 | 0.027 | 43.809 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | PHE | 0 | 0.022 | 0.008 | 43.767 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | TRP | 0 | 0.066 | 0.030 | 44.150 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | MET | 0 | -0.036 | -0.001 | 39.404 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | ILE | 0 | 0.003 | 0.007 | 39.313 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | ALA | 0 | 0.035 | 0.021 | 39.311 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | ILE | 0 | 0.005 | 0.016 | 38.683 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | LEU | 0 | 0.001 | 0.011 | 34.927 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | ALA | 0 | 0.010 | 0.011 | 34.976 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | THR | 0 | -0.018 | -0.026 | 35.532 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | THR | 0 | -0.045 | -0.035 | 32.249 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | GLY | 0 | 0.012 | 0.007 | 31.382 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | ILE | 0 | -0.004 | 0.014 | 31.045 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | ALA | 0 | 0.027 | 0.011 | 31.753 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | LEU | 0 | -0.018 | -0.009 | 26.022 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | THR | 0 | -0.020 | -0.037 | 27.106 | 0.591 | 0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | ILE | 0 | -0.063 | -0.027 | 27.536 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | TRP | 0 | -0.007 | -0.010 | 27.647 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | VAL | 0 | -0.001 | 0.008 | 22.345 | 0.538 | 0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | VAL | 0 | -0.003 | 0.004 | 20.503 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | PRO | 0 | 0.032 | 0.029 | 21.316 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | ASN | 0 | 0.026 | 0.002 | 21.013 | 1.007 | 1.007 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | SER | 0 | 0.001 | 0.013 | 18.263 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | SER | 0 | 0.017 | 0.003 | 19.083 | 1.089 | 1.089 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | THR | 0 | 0.022 | 0.023 | 20.491 | -0.563 | -0.563 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | HIS | 0 | -0.056 | -0.039 | 21.984 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | VAL | 0 | -0.020 | -0.017 | 23.925 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | LEU | 0 | 0.036 | 0.033 | 26.738 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | ASN | 0 | -0.019 | -0.003 | 30.419 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | ARG | 1 | 0.969 | 0.966 | 32.257 | -8.839 | -8.839 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | GLU | -1 | -0.789 | -0.841 | 34.872 | 8.137 | 8.137 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | SER | 0 | -0.012 | -0.021 | 38.015 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | GLY | 0 | 0.043 | 0.018 | 40.778 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | MET | 0 | -0.024 | -0.009 | 42.255 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | VAL | 0 | 0.042 | 0.032 | 36.051 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | LYS | 1 | 0.974 | 0.971 | 37.457 | -6.794 | -6.794 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | GLY | 0 | 0.017 | 0.019 | 39.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | SER | 0 | -0.012 | -0.060 | 33.632 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | PHE | 0 | -0.050 | -0.009 | 34.139 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | SER | 0 | -0.015 | -0.008 | 35.172 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | LYS | 1 | 0.944 | 0.969 | 33.706 | -8.074 | -8.074 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | VAL | 0 | -0.004 | -0.003 | 29.006 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | LEU | 0 | -0.034 | -0.016 | 31.081 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | ALA | 0 | 0.018 | 0.012 | 33.556 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | GLU | -1 | -0.832 | -0.895 | 27.551 | 10.416 | 10.416 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | PRO | 0 | 0.031 | -0.001 | 30.290 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | ARG | 1 | 0.845 | 0.929 | 23.536 | -11.540 | -11.540 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | LEU | 0 | 0.059 | 0.021 | 25.108 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | LEU | 0 | 0.005 | 0.024 | 28.084 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | LYN | 0 | 0.047 | 0.046 | 28.892 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | LEU | 0 | -0.017 | -0.004 | 23.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | ASN | 0 | -0.028 | -0.037 | 27.921 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | PHE | 0 | 0.065 | 0.034 | 30.779 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | GLY | 0 | 0.045 | 0.023 | 29.565 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | ILE | 0 | -0.039 | -0.011 | 28.000 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | MET | 0 | 0.024 | 0.012 | 30.514 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | CYS | 0 | -0.014 | -0.012 | 33.041 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | LEU | 0 | -0.027 | -0.010 | 28.181 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | HIS | 0 | -0.049 | -0.023 | 30.071 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | MET | 0 | 0.001 | 0.000 | 34.689 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | LEU | 0 | -0.025 | 0.008 | 33.871 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | LEU | 0 | -0.004 | 0.007 | 33.032 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | MET | 0 | -0.042 | -0.023 | 35.836 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | SER | 0 | -0.005 | -0.008 | 39.229 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | THR | 0 | -0.017 | -0.035 | 37.226 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | PHE | 0 | -0.057 | -0.049 | 35.447 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | VAL | 0 | -0.051 | -0.002 | 40.349 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | ALA | 0 | 0.076 | 0.064 | 43.864 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | LEU | 0 | -0.035 | -0.009 | 38.701 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | PRO | 0 | -0.004 | -0.009 | 42.192 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | GLY | 0 | 0.035 | 0.021 | 44.421 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | GLN | 0 | 0.022 | 0.000 | 45.179 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | LEU | 0 | -0.054 | -0.029 | 41.081 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | ALA | 0 | -0.043 | -0.022 | 45.551 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | ASP | -1 | -0.863 | -0.921 | 48.973 | 6.196 | 6.196 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 242 | ALA | 0 | -0.060 | -0.025 | 46.535 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 243 | GLY | 0 | -0.042 | 0.001 | 48.593 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 244 | PHE | 0 | -0.006 | -0.016 | 41.827 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 245 | PRO | 0 | 0.043 | 0.032 | 47.211 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 246 | ALA | 0 | 0.085 | 0.023 | 45.251 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 247 | ALA | 0 | -0.050 | -0.035 | 43.992 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 248 | GLU | -1 | -0.802 | -0.885 | 42.828 | 7.534 | 7.534 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 249 | HIS | 0 | -0.017 | -0.007 | 41.272 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 250 | TRP | 0 | 0.015 | 0.012 | 37.702 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 251 | LYS | 1 | 0.810 | 0.897 | 37.457 | -7.313 | -7.313 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 252 | VAL | 0 | 0.044 | 0.021 | 36.621 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 253 | TYR | 0 | 0.023 | 0.019 | 35.274 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 254 | LEU | 0 | 0.000 | 0.002 | 32.148 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 255 | ALA | 0 | 0.013 | 0.005 | 31.733 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 256 | THR | 0 | -0.001 | -0.021 | 30.853 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 257 | MET | 0 | -0.023 | 0.008 | 29.322 | 0.552 | 0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 258 | LEU | 0 | 0.021 | 0.007 | 27.295 | 0.555 | 0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 259 | ILE | 0 | -0.006 | 0.002 | 25.911 | 0.646 | 0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 260 | ALA | 0 | -0.013 | 0.011 | 25.247 | 0.515 | 0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 261 | PHE | 0 | -0.019 | -0.022 | 23.134 | 0.589 | 0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 262 | GLY | 0 | -0.010 | -0.001 | 21.280 | 0.816 | 0.816 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 263 | SER | 0 | -0.033 | -0.029 | 20.471 | 0.609 | 0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 264 | VAL | 0 | -0.007 | 0.005 | 19.025 | 0.489 | 0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 265 | VAL | 0 | 0.010 | 0.006 | 14.991 | 0.867 | 0.867 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 266 | PRO | 0 | 0.011 | 0.003 | 15.120 | 1.379 | 1.379 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 267 | PHE | 0 | 0.040 | 0.016 | 15.303 | 0.830 | 0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 268 | ILE | 0 | 0.020 | 0.005 | 14.350 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 269 | ILE | 0 | -0.025 | -0.005 | 9.840 | 1.321 | 1.321 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 270 | TYR | 0 | -0.054 | -0.035 | 11.547 | 1.397 | 1.397 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 271 | ALA | 0 | 0.008 | -0.006 | 13.631 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 272 | GLU | -1 | -0.807 | -0.863 | 10.194 | 20.995 | 20.995 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 273 | VAL | 0 | -0.036 | -0.021 | 6.577 | 0.916 | 0.916 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 274 | LYS | 1 | 0.918 | 0.962 | 9.117 | -19.390 | -19.390 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 275 | ARG | 1 | 0.873 | 0.963 | 9.960 | -22.317 | -22.317 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 276 | LYS | 1 | 0.818 | 0.893 | 13.217 | -16.570 | -16.570 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 277 | MET | 0 | 0.029 | 0.021 | 14.316 | -0.907 | -0.907 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 278 | LYS | 1 | 0.829 | 0.902 | 17.990 | -11.584 | -11.584 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 279 | GLN | 0 | 0.014 | 0.015 | 19.784 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 280 | VAL | 0 | 0.029 | 0.015 | 18.107 | -0.463 | -0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 281 | PHE | 0 | 0.036 | 0.019 | 21.226 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 282 | VAL | 0 | 0.033 | 0.007 | 23.394 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 283 | PHE | 0 | -0.021 | -0.006 | 23.490 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 284 | CYS | 0 | -0.038 | -0.011 | 23.438 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 285 | VAL | 0 | 0.038 | 0.018 | 26.345 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 286 | GLY | 0 | 0.026 | 0.009 | 29.051 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 287 | LEU | 0 | -0.004 | -0.012 | 26.598 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 288 | ILE | 0 | -0.014 | 0.003 | 29.828 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 289 | VAL | 0 | -0.006 | 0.006 | 32.564 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 290 | VAL | 0 | -0.030 | -0.017 | 32.972 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 291 | ALA | 0 | -0.022 | -0.008 | 33.285 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 292 | GLU | -1 | -0.802 | -0.898 | 35.290 | 7.989 | 7.989 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 293 | ILE | 0 | -0.020 | -0.008 | 38.089 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 294 | VAL | 0 | -0.018 | -0.012 | 37.028 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 295 | LEU | 0 | -0.036 | -0.020 | 38.729 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 296 | TRP | 0 | -0.050 | -0.016 | 40.833 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 297 | ASN | 0 | -0.023 | -0.021 | 42.548 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 298 | ALA | 0 | -0.041 | -0.012 | 42.159 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 299 | GLN | 0 | 0.006 | -0.010 | 44.249 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 300 | THR | 0 | 0.000 | 0.004 | 47.172 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 301 | GLN | 0 | 0.010 | 0.013 | 44.237 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 302 | PHE | 0 | 0.082 | 0.023 | 41.323 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 303 | TRP | 0 | 0.020 | -0.001 | 38.160 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 304 | GLN | 0 | -0.026 | -0.005 | 39.484 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 305 | LEU | 0 | 0.053 | 0.035 | 39.545 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 306 | VAL | 0 | -0.051 | -0.011 | 36.375 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 307 | VAL | 0 | -0.013 | -0.012 | 34.152 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 308 | GLY | 0 | 0.071 | 0.040 | 34.390 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 309 | VAL | 0 | 0.025 | 0.005 | 34.689 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 310 | GLN | 0 | -0.044 | -0.029 | 29.459 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 311 | LEU | 0 | 0.000 | -0.007 | 30.122 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 312 | PHE | 0 | 0.027 | 0.026 | 29.870 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 313 | PHE | 0 | 0.025 | 0.003 | 29.440 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 314 | VAL | 0 | -0.035 | -0.011 | 24.765 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 315 | ALA | 0 | 0.012 | 0.007 | 25.381 | 0.546 | 0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 316 | PHE | 0 | 0.018 | 0.009 | 26.358 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 317 | ASN | 0 | -0.033 | -0.040 | 24.113 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 318 | LEU | 0 | -0.020 | -0.010 | 19.623 | 0.693 | 0.693 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 319 | MET | 0 | -0.020 | -0.006 | 21.988 | 0.682 | 0.682 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 320 | GLU | -1 | -0.754 | -0.884 | 24.194 | 11.503 | 11.503 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 321 | ALA | 0 | -0.024 | -0.007 | 19.243 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 322 | LEU | 0 | -0.024 | -0.023 | 18.203 | 0.643 | 0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 323 | LEU | 0 | 0.004 | 0.010 | 20.715 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 324 | PRO | 0 | 0.043 | 0.021 | 22.297 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 325 | SER | 0 | -0.001 | -0.010 | 16.535 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 326 | LEU | 0 | 0.029 | 0.016 | 18.545 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 327 | ILE | 0 | 0.042 | 0.032 | 20.512 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 328 | SER | 0 | -0.058 | -0.035 | 18.417 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 329 | LYS | 1 | 0.768 | 0.872 | 13.406 | -19.164 | -19.164 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 330 | GLU | -1 | -0.872 | -0.965 | 18.368 | 13.052 | 13.052 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 331 | SER | 0 | -0.033 | -0.019 | 21.669 | -0.748 | -0.748 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 332 | PRO | 0 | 0.010 | 0.000 | 22.891 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 333 | ALA | 0 | 0.025 | 0.009 | 22.664 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 334 | GLY | 0 | 0.039 | 0.016 | 24.209 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 335 | TYR | 0 | -0.067 | -0.040 | 26.701 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 336 | LYS | 1 | 0.872 | 0.929 | 20.199 | -14.155 | -14.155 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 337 | GLY | 0 | 0.019 | 0.002 | 25.718 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 338 | THR | 0 | -0.066 | -0.059 | 28.267 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 339 | ALA | 0 | 0.015 | 0.011 | 26.707 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 340 | MET | 0 | -0.032 | -0.007 | 22.446 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 341 | GLY | 0 | 0.035 | 0.008 | 27.855 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 342 | VAL | 0 | -0.070 | -0.036 | 31.213 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 343 | TYR | 0 | 0.016 | -0.001 | 26.659 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 344 | SER | 0 | 0.042 | 0.007 | 30.076 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 345 | THR | 0 | -0.022 | -0.015 | 31.871 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 346 | SER | 0 | -0.048 | -0.023 | 32.599 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 347 | GLN | 0 | -0.040 | -0.026 | 29.128 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 348 | PHE | 0 | -0.013 | -0.008 | 33.486 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 349 | LEU | 0 | 0.003 | -0.006 | 36.838 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 350 | GLY | 0 | 0.030 | 0.015 | 36.092 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 351 | VAL | 0 | -0.005 | -0.006 | 35.771 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 352 | ALA | 0 | -0.021 | -0.004 | 38.335 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 353 | ILE | 0 | 0.015 | 0.009 | 40.188 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 354 | GLY | 0 | 0.018 | 0.014 | 40.050 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 355 | GLY | 0 | -0.014 | 0.003 | 41.012 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 356 | SER | 0 | -0.065 | -0.044 | 43.328 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 357 | LEU | 0 | 0.004 | -0.009 | 43.618 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 358 | GLY | 0 | 0.038 | 0.028 | 44.146 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 359 | GLY | 0 | 0.019 | 0.001 | 44.941 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 360 | TRP | 0 | -0.049 | -0.021 | 48.023 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 361 | ILE | 0 | -0.039 | -0.024 | 45.461 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 362 | ASP | -1 | -0.855 | -0.955 | 47.701 | 6.551 | 6.551 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 363 | GLY | 0 | -0.015 | 0.017 | 49.658 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 364 | MET | 0 | -0.128 | -0.065 | 52.281 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 365 | PHE | 0 | -0.083 | -0.036 | 50.678 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 366 | ASP | -1 | -0.778 | -0.880 | 51.128 | 6.260 | 6.260 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 367 | GLY | 0 | 0.080 | 0.019 | 47.169 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 368 | GLN | 0 | -0.078 | -0.040 | 45.881 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 369 | GLY | 0 | 0.028 | 0.014 | 46.313 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 370 | VAL | 0 | -0.002 | -0.007 | 42.995 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 371 | PHE | 0 | 0.015 | 0.013 | 41.580 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 372 | LEU | 0 | 0.006 | 0.010 | 41.665 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 373 | ALA | 0 | -0.005 | -0.006 | 42.988 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 374 | GLY | 0 | 0.019 | 0.014 | 39.643 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 375 | ALA | 0 | 0.010 | -0.010 | 38.238 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 376 | MET | 0 | -0.033 | -0.013 | 38.477 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 377 | LEU | 0 | -0.005 | 0.001 | 37.206 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 378 | ALA | 0 | 0.016 | -0.002 | 34.308 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 379 | ALA | 0 | 0.014 | 0.006 | 34.407 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 380 | VAL | 0 | -0.005 | 0.001 | 36.041 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 381 | TRP | 0 | 0.011 | 0.006 | 28.448 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 382 | LEU | 0 | 0.006 | 0.002 | 30.412 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 383 | ALA | 0 | 0.009 | 0.011 | 31.677 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 384 | VAL | 0 | 0.015 | 0.021 | 31.170 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 385 | ALA | 0 | -0.006 | 0.006 | 27.773 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 386 | SER | 0 | -0.041 | -0.037 | 27.676 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 387 | THR | 0 | -0.034 | -0.016 | 28.941 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 388 | MET | 0 | -0.036 | 0.011 | 22.265 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 389 | LYS | 1 | 0.873 | 0.911 | 23.925 | -10.107 | -10.107 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 390 | GLU | -1 | -0.724 | -0.853 | 18.201 | 14.920 | 14.920 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 391 | PRO | 0 | 0.027 | 0.015 | 16.784 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 392 | PRO | 0 | -0.009 | -0.003 | 17.084 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 393 | TYR | 0 | -0.059 | -0.028 | 12.364 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 394 | VAL | 0 | 0.056 | 0.030 | 11.794 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 395 | SER | 0 | -0.088 | -0.065 | 6.668 | 2.171 | 2.171 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 396 | SER | 0 | 0.034 | 0.021 | 8.819 | -0.840 | -0.840 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 397 | LEU | 0 | -0.045 | -0.017 | 4.168 | 4.312 | 4.398 | -0.001 | -0.025 | -0.059 | 0.000 |
396 | A | 398 | ARG | 1 | 0.779 | 0.873 | 6.239 | -29.856 | -29.856 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 399 | ILE | 0 | -0.021 | -0.022 | 6.605 | 6.057 | 6.057 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 400 | GLU | -1 | -0.772 | -0.859 | 9.089 | 23.482 | 23.482 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 401 | ILE | 0 | -0.047 | -0.016 | 11.664 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 402 | PRO | 0 | 0.006 | 0.004 | 14.062 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 403 | ALA | 0 | 0.037 | 0.015 | 16.761 | -0.583 | -0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 404 | ASP | -1 | -0.917 | -0.949 | 20.044 | 14.680 | 14.680 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 405 | ILE | 0 | -0.019 | -0.006 | 17.461 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 406 | ALA | 0 | 0.020 | 0.007 | 20.093 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 407 | ALA | 0 | 0.032 | 0.018 | 18.949 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 408 | ASN | 0 | 0.024 | 0.002 | 20.126 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 409 | GLU | -1 | -0.834 | -0.925 | 21.640 | 11.902 | 11.902 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 410 | ALA | 0 | -0.015 | -0.007 | 23.565 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 411 | LEU | 0 | 0.006 | 0.015 | 16.770 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 412 | LYS | 1 | 0.895 | 0.932 | 19.142 | -13.570 | -13.570 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 413 | VAL | 0 | -0.023 | -0.009 | 20.216 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 414 | ARG | 1 | 0.952 | 0.972 | 19.151 | -14.098 | -14.098 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 415 | LEU | 0 | -0.041 | -0.020 | 14.541 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 416 | LEU | 0 | -0.052 | -0.042 | 17.308 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 417 | GLU | -1 | -0.942 | -0.952 | 19.446 | 11.352 | 11.352 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 418 | THR | 0 | -0.085 | -0.039 | 15.060 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 419 | GLU | -1 | -0.839 | -0.921 | 16.661 | 14.520 | 14.520 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 420 | GLY | 0 | 0.002 | -0.023 | 13.814 | 1.044 | 1.044 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 421 | VAL | 0 | -0.043 | -0.015 | 13.215 | 1.120 | 1.120 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 422 | LYS | 1 | 0.798 | 0.891 | 14.286 | -16.344 | -16.344 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 423 | GLU | -1 | -0.831 | -0.906 | 15.207 | 16.000 | 16.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 424 | VAL | 0 | 0.037 | 0.018 | 14.954 | 1.161 | 1.161 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 425 | LEU | 0 | -0.039 | -0.011 | 15.498 | -1.244 | -1.244 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 426 | ILE | 0 | 0.027 | 0.012 | 15.644 | 1.281 | 1.281 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 427 | ALA | 0 | -0.018 | -0.006 | 15.623 | -0.661 | -0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 428 | GLU | -1 | -0.891 | -0.958 | 17.666 | 13.557 | 13.557 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 429 | GLU | -1 | -0.969 | -0.971 | 20.349 | 13.955 | 13.955 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 430 | GLU | -1 | -0.810 | -0.846 | 13.531 | 22.563 | 22.563 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 431 | HIS | 0 | -0.035 | -0.009 | 16.028 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 432 | SER | 0 | -0.041 | -0.039 | 12.427 | 0.970 | 0.970 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 433 | ALA | 0 | 0.020 | 0.003 | 12.448 | -1.576 | -1.576 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 434 | TYR | 0 | -0.078 | -0.067 | 11.067 | 3.735 | 3.735 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 435 | VAL | 0 | 0.017 | 0.001 | 10.627 | -1.868 | -1.868 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 436 | LYS | 1 | 0.780 | 0.885 | 10.320 | -15.897 | -15.897 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 437 | ILE | 0 | 0.027 | 0.023 | 6.728 | -0.981 | -0.981 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 438 | ASP | -1 | -0.751 | -0.866 | 10.866 | 17.305 | 17.305 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 439 | SER | 0 | 0.022 | 0.008 | 8.026 | -0.779 | -0.779 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 440 | LYS | 1 | 0.749 | 0.846 | 9.634 | -15.630 | -15.630 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 441 | VAL | 0 | -0.019 | -0.009 | 12.711 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 442 | THR | 0 | 0.038 | 0.032 | 10.375 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 443 | ASN | 0 | -0.084 | -0.079 | 6.195 | 2.710 | 2.710 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 444 | ARG | 1 | 0.821 | 0.893 | 2.609 | -51.500 | -50.298 | 0.253 | -0.413 | -1.042 | 0.003 |
443 | A | 445 | PHE | 0 | 0.030 | 0.016 | 4.738 | -0.759 | -0.642 | -0.001 | -0.005 | -0.111 | 0.000 |
444 | A | 446 | GLU | -1 | -0.806 | -0.861 | 8.967 | 18.618 | 18.618 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 447 | VAL | 0 | 0.039 | 0.024 | 10.005 | -1.249 | -1.249 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 448 | GLU | -1 | -0.817 | -0.919 | 7.447 | 33.164 | 33.164 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 449 | GLN | 0 | -0.068 | -0.037 | 11.646 | -0.711 | -0.711 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 450 | ALA | 0 | 0.039 | 0.020 | 14.452 | -0.985 | -0.985 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 451 | ILE | 0 | -0.010 | 0.001 | 12.374 | -0.926 | -0.926 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 452 | ARG | 1 | 0.957 | 0.970 | 11.869 | -21.144 | -21.144 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 453 | GLN | 0 | -0.060 | -0.016 | 17.606 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 454 | ALA | 0 | -0.041 | -0.014 | 20.488 | -0.737 | -0.737 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 455 | LEU | 0 | -0.031 | -0.007 | 20.312 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |