![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: N95MQ
Calculation Name: 2P0L-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2P0L
Chain ID: A
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 269 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3845962.754898 |
---|---|
FMO2-HF: Nuclear repulsion | 3738151.236196 |
FMO2-HF: Total energy | -107811.518701 |
FMO2-MP2: Total energy | -108124.186782 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030960/ligand_interaction/ligand_F030960.png)
Ligand Interaction
![ligand interaction](./Kdata/F030960/ligand_interaction/ligand_interaction_F030960.png)
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:4:GLU)
Summations of interaction energy for
fragment #1(A:4:GLU)
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. |
141.319 | 146.213 | 17.417 | -11.053 | -11.261 | -0.036 |
Interaction energy analysis for fragmet #1(A:4:GLU)
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 | 6 | GLN | 0 | 0.009 | -0.010 | 2.719 | -24.158 | -18.564 | 0.366 | -2.821 | -3.140 | 0.027 |
4 | A | 7 | ASP | -1 | -0.841 | -0.911 | 1.798 | 43.122 | 37.695 | 16.471 | -6.069 | -4.975 | -0.053 |
5 | A | 8 | LEU | 0 | -0.078 | -0.058 | 4.822 | -3.710 | -3.499 | -0.001 | -0.024 | -0.186 | 0.000 |
6 | A | 9 | ALA | 0 | 0.008 | -0.001 | 7.139 | -2.411 | -2.411 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 10 | GLN | 0 | -0.069 | -0.030 | 9.317 | -2.872 | -2.872 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | LEU | 0 | -0.062 | -0.015 | 11.372 | -1.613 | -1.613 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | PRO | 0 | -0.024 | -0.006 | 13.098 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | VAL | 0 | 0.049 | 0.019 | 12.677 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | SER | 0 | -0.081 | -0.072 | 15.467 | -0.604 | -0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | ILE | 0 | 0.019 | 0.004 | 17.277 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | PHE | 0 | -0.005 | -0.019 | 20.032 | -0.700 | -0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | LYS | 1 | 0.947 | 0.982 | 22.055 | -11.518 | -11.518 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | ASP | -1 | -0.847 | -0.938 | 23.705 | 9.687 | 9.687 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | TYR | 0 | -0.025 | -0.031 | 25.508 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 20 | VAL | 0 | -0.017 | 0.004 | 27.620 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 21 | THR | 0 | 0.011 | -0.011 | 29.898 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 22 | ASP | -1 | -0.845 | -0.916 | 33.007 | 7.543 | 7.543 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 23 | ALA | 0 | 0.005 | 0.004 | 34.174 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 24 | GLN | 0 | -0.020 | -0.001 | 35.201 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 25 | ASP | -1 | -0.941 | -0.978 | 32.464 | 8.371 | 8.371 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 26 | ALA | 0 | 0.009 | -0.004 | 30.811 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 27 | GLU | -1 | -0.888 | -0.944 | 29.631 | 9.099 | 9.099 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 28 | LYS | 1 | 0.826 | 0.911 | 28.306 | -9.385 | -9.385 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 29 | PRO | 0 | 0.033 | 0.015 | 24.305 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 30 | PHE | 0 | 0.031 | 0.005 | 23.733 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 31 | ILE | 0 | -0.029 | 0.000 | 25.350 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 32 | TRP | 0 | 0.058 | 0.016 | 23.886 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 33 | THR | 0 | -0.040 | -0.006 | 19.900 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 34 | GLU | -1 | -0.905 | -0.955 | 21.492 | 11.263 | 11.263 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 35 | VAL | 0 | -0.005 | 0.004 | 23.597 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 36 | PHE | 0 | 0.046 | 0.004 | 19.507 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 37 | LEU | 0 | -0.007 | 0.005 | 17.469 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 38 | ARG | 1 | 0.790 | 0.905 | 19.986 | -10.607 | -10.607 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 39 | GLU | -1 | -0.767 | -0.888 | 21.417 | 11.034 | 11.034 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 40 | ILE | 0 | -0.033 | 0.026 | 15.207 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 41 | ASN | 0 | -0.088 | -0.081 | 17.761 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 42 | ARG | 1 | 0.702 | 0.837 | 19.961 | -10.616 | -10.616 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 43 | SER | 0 | -0.040 | -0.015 | 20.661 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 44 | ASN | 0 | -0.030 | -0.010 | 16.384 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 45 | GLN | 0 | 0.029 | 0.012 | 15.908 | 0.703 | 0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 46 | GLU | -1 | -0.891 | -0.947 | 15.302 | 13.262 | 13.262 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 47 | ILE | 0 | 0.036 | 0.026 | 9.762 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 48 | ILE | 0 | -0.029 | -0.003 | 13.935 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 49 | LEU | 0 | 0.015 | 0.019 | 14.153 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 50 | HIS | 0 | -0.020 | -0.012 | 16.276 | -0.564 | -0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 51 | ILE | 0 | 0.021 | 0.002 | 18.353 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 52 | TRP | 0 | -0.010 | -0.028 | 19.394 | -0.730 | -0.730 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 53 | PRO | 0 | 0.035 | 0.038 | 22.782 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 54 | MET | 0 | -0.030 | -0.032 | 24.629 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 55 | THR | 0 | 0.073 | 0.063 | 27.908 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 56 | LYS | 1 | 0.927 | 0.959 | 30.525 | -8.215 | -8.215 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 57 | THR | 0 | -0.025 | -0.008 | 29.361 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 58 | VAL | 0 | -0.003 | 0.000 | 29.641 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 59 | ILE | 0 | -0.037 | -0.013 | 25.864 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 60 | LEU | 0 | 0.007 | -0.007 | 28.058 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 61 | GLY | 0 | 0.032 | 0.010 | 28.029 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 62 | MET | 0 | -0.103 | -0.065 | 26.781 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 63 | LEU | 0 | 0.058 | 0.021 | 28.227 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 64 | ASP | -1 | -0.677 | -0.800 | 29.694 | 9.547 | 9.547 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 65 | ARG | 1 | 0.884 | 0.936 | 32.656 | -8.863 | -8.863 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 66 | GLU | -1 | -0.916 | -0.951 | 34.711 | 7.877 | 7.877 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 67 | LEU | 0 | -0.112 | -0.029 | 34.674 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 68 | PRO | 0 | 0.007 | 0.004 | 37.953 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 69 | HIS | 0 | -0.033 | -0.007 | 41.280 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 70 | LEU | 0 | 0.042 | 0.032 | 36.396 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 71 | GLU | -1 | -0.873 | -0.955 | 39.808 | 7.338 | 7.338 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 72 | LEU | 0 | -0.037 | -0.022 | 42.082 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 73 | ALA | 0 | 0.069 | 0.037 | 37.904 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 74 | LYS | 1 | 0.907 | 0.947 | 36.582 | -7.686 | -7.686 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 75 | LYS | 1 | 0.908 | 0.962 | 38.796 | -6.747 | -6.747 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 76 | GLU | -1 | -0.889 | -0.942 | 38.377 | 7.288 | 7.288 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 77 | ILE | 0 | -0.039 | -0.019 | 33.961 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 78 | ILE | 0 | 0.020 | -0.005 | 37.061 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 79 | SER | 0 | -0.048 | -0.009 | 39.690 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 80 | ARG | 1 | 0.883 | 0.942 | 36.300 | -8.152 | -8.152 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 81 | GLY | 0 | -0.052 | -0.030 | 37.713 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 82 | TYR | 0 | -0.073 | -0.049 | 30.768 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 83 | GLU | -1 | -0.894 | -0.964 | 34.462 | 7.792 | 7.792 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 84 | PRO | 0 | -0.064 | -0.030 | 33.449 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 85 | VAL | 0 | 0.078 | 0.056 | 30.178 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 86 | VAL | 0 | -0.024 | -0.010 | 31.265 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 87 | ARG | 1 | 0.938 | 0.980 | 26.166 | -10.057 | -10.057 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 88 | ASN | 0 | 0.005 | -0.013 | 29.342 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 89 | PHE | 0 | -0.031 | -0.025 | 26.397 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 90 | GLY | 0 | 0.000 | 0.012 | 24.839 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 91 | GLY | 0 | 0.019 | 0.006 | 23.737 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 92 | LEU | 0 | 0.012 | 0.002 | 24.745 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 93 | ALA | 0 | 0.033 | 0.011 | 25.515 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 94 | VAL | 0 | -0.011 | 0.017 | 22.559 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 95 | VAL | 0 | -0.042 | -0.025 | 25.669 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 96 | ALA | 0 | -0.008 | -0.008 | 25.468 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 97 | ASP | -1 | -0.729 | -0.825 | 26.874 | 9.822 | 9.822 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 98 | GLU | -1 | -0.809 | -0.924 | 27.259 | 9.512 | 9.512 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 99 | GLY | 0 | -0.062 | -0.020 | 27.021 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 100 | ILE | 0 | -0.071 | -0.019 | 22.578 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 101 | LEU | 0 | -0.012 | -0.001 | 17.950 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 102 | ASN | 0 | 0.041 | 0.017 | 19.525 | 0.757 | 0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 103 | PHE | 0 | 0.018 | -0.008 | 12.670 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 104 | SER | 0 | -0.010 | 0.000 | 15.539 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 105 | LEU | 0 | 0.038 | 0.045 | 9.315 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 106 | VAL | 0 | -0.076 | -0.048 | 13.205 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 107 | ILE | 0 | 0.048 | 0.005 | 8.083 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 108 | PRO | 0 | -0.010 | 0.016 | 11.626 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 109 | ASP | -1 | -0.820 | -0.951 | 11.340 | 19.492 | 19.492 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 110 | VAL | 0 | -0.093 | -0.058 | 11.486 | -0.811 | -0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 111 | PHE | 0 | 0.013 | 0.032 | 7.692 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 112 | GLU | -1 | -0.861 | -0.926 | 7.005 | 28.419 | 28.419 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 113 | ARG | 1 | 0.798 | 0.867 | 2.777 | -44.262 | -43.115 | 0.150 | -0.414 | -0.884 | 0.002 |
111 | A | 114 | LYN | 0 | -0.026 | 0.005 | 4.351 | 2.123 | 2.251 | -0.001 | -0.017 | -0.110 | 0.000 |
112 | A | 115 | LEU | 0 | -0.001 | 0.006 | 6.239 | -1.234 | -1.234 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 116 | SER | 0 | -0.102 | -0.041 | 9.483 | -1.846 | -1.846 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 117 | ILE | 0 | 0.044 | 0.012 | 10.152 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 118 | SER | 0 | -0.033 | -0.026 | 10.614 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 119 | ASP | -1 | -0.781 | -0.870 | 6.125 | 30.508 | 30.508 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 120 | GLY | 0 | 0.062 | 0.037 | 6.255 | 1.967 | 1.967 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 121 | TYR | 0 | -0.022 | -0.026 | 8.383 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 122 | LEU | 0 | -0.014 | -0.015 | 5.497 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 123 | ILE | 0 | 0.017 | 0.029 | 2.952 | 2.865 | 3.439 | 0.123 | -0.160 | -0.538 | 0.000 |
121 | A | 124 | MET | 0 | -0.024 | -0.004 | 5.209 | 0.150 | 0.174 | -0.001 | -0.001 | -0.022 | 0.000 |
122 | A | 125 | VAL | 0 | -0.025 | -0.016 | 7.167 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 126 | ASP | -1 | -0.841 | -0.921 | 3.110 | 52.658 | 55.279 | 0.311 | -1.546 | -1.386 | -0.012 |
124 | A | 127 | PHE | 0 | 0.022 | 0.011 | 5.344 | -1.636 | -1.614 | -0.001 | -0.001 | -0.020 | 0.000 |
125 | A | 128 | ILE | 0 | -0.012 | -0.015 | 7.586 | -1.501 | -1.501 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 129 | ARG | 1 | 0.860 | 0.891 | 6.611 | -33.467 | -33.467 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 130 | SER | 0 | -0.008 | 0.003 | 7.059 | -1.847 | -1.847 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 131 | ILE | 0 | -0.030 | -0.009 | 9.072 | -1.904 | -1.904 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 132 | PHE | 0 | -0.071 | -0.048 | 12.409 | -1.936 | -1.936 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 133 | SER | 0 | 0.006 | 0.011 | 10.916 | -0.795 | -0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 134 | ASP | -1 | -0.954 | -0.971 | 12.817 | 18.136 | 18.136 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 135 | PHE | 0 | -0.070 | -0.034 | 15.906 | -1.300 | -1.300 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 136 | TYR | 0 | -0.007 | -0.010 | 15.657 | 0.919 | 0.919 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 137 | GLN | 0 | -0.003 | -0.003 | 16.298 | 1.313 | 1.313 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 138 | PRO | 0 | 0.021 | 0.018 | 13.464 | 0.854 | 0.854 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 139 | ILE | 0 | 0.033 | 0.031 | 11.609 | -0.979 | -0.979 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 140 | GLU | -1 | -0.952 | -0.960 | 11.576 | 20.889 | 20.889 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 141 | HIS | 0 | -0.016 | -0.026 | 9.982 | 1.624 | 1.624 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 142 | PHE | 0 | -0.064 | -0.033 | 13.799 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 143 | GLU | -1 | -0.910 | -0.950 | 16.847 | 13.183 | 13.183 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 144 | VAL | 0 | -0.018 | 0.001 | 19.743 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 145 | GLU | -1 | -0.906 | -0.961 | 22.439 | 11.428 | 11.428 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 146 | THR | 0 | -0.025 | 0.002 | 25.307 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 147 | SER | 0 | -0.011 | -0.025 | 23.487 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 148 | TYR | 0 | 0.052 | 0.004 | 24.477 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 149 | CYS | 0 | -0.079 | -0.052 | 21.634 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 150 | PRO | 0 | -0.046 | 0.013 | 21.882 | 0.530 | 0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 151 | GLY | 0 | 0.070 | 0.010 | 18.772 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 152 | LYS | 1 | 0.948 | 0.974 | 14.801 | -18.632 | -18.632 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 153 | PHE | 0 | -0.045 | -0.050 | 10.780 | 0.614 | 0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 154 | ASP | -1 | -0.735 | -0.841 | 14.139 | 15.257 | 15.257 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 155 | LEU | 0 | 0.005 | -0.006 | 11.536 | 0.933 | 0.933 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 156 | SER | 0 | -0.002 | -0.018 | 15.482 | -1.313 | -1.313 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 157 | ILE | 0 | 0.065 | 0.027 | 16.324 | 1.074 | 1.074 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 158 | ASN | 0 | -0.024 | -0.013 | 18.633 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 159 | GLY | 0 | 0.003 | 0.000 | 20.461 | -0.700 | -0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 160 | LYS | 1 | 0.929 | 0.981 | 21.763 | -11.997 | -11.997 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 161 | LYS | 1 | 0.859 | 0.951 | 19.428 | -13.050 | -13.050 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 162 | PHE | 0 | 0.016 | 0.017 | 14.958 | -0.595 | -0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 163 | ALA | 0 | 0.007 | -0.001 | 15.951 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 164 | GLY | 0 | 0.053 | 0.042 | 17.792 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 165 | LEU | 0 | -0.027 | -0.017 | 11.500 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 166 | ALA | 0 | 0.007 | 0.002 | 15.771 | -0.713 | -0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 167 | GLN | 0 | -0.024 | -0.014 | 11.975 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 168 | ARG | 1 | 0.891 | 0.965 | 16.101 | -12.560 | -12.560 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 169 | ARG | 1 | 0.954 | 0.965 | 15.407 | -14.543 | -14.543 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 170 | ILE | 0 | -0.068 | -0.040 | 17.723 | -0.849 | -0.849 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 171 | LYS | 1 | 0.916 | 0.975 | 19.070 | -10.662 | -10.662 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 172 | ASN | 0 | 0.025 | 0.026 | 16.423 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 173 | GLY | 0 | 0.071 | 0.049 | 15.300 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 174 | ILE | 0 | -0.016 | -0.012 | 10.971 | -0.735 | -0.735 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 175 | ALA | 0 | 0.017 | 0.013 | 13.818 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 176 | VAL | 0 | -0.003 | 0.002 | 10.290 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 177 | SER | 0 | -0.033 | -0.042 | 13.559 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 178 | ILE | 0 | -0.017 | -0.012 | 13.146 | 0.521 | 0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 179 | TYR | 0 | -0.001 | 0.008 | 16.213 | -0.666 | -0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 180 | LEU | 0 | -0.007 | -0.022 | 15.307 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 181 | SER | 0 | 0.009 | 0.000 | 19.334 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 182 | VAL | 0 | -0.009 | 0.025 | 20.845 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 183 | CYS | 0 | 0.024 | 0.035 | 23.072 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 184 | GLY | 0 | 0.070 | 0.050 | 26.819 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 185 | ASP | -1 | -0.853 | -0.935 | 30.031 | 9.122 | 9.122 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 186 | GLN | 0 | 0.079 | 0.070 | 26.022 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 187 | LYS | 1 | 0.900 | 0.944 | 29.002 | -8.874 | -8.874 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 188 | GLY | 0 | 0.056 | 0.024 | 31.731 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 189 | ARG | 1 | 0.719 | 0.801 | 26.808 | -10.911 | -10.911 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 190 | SER | 0 | -0.003 | -0.011 | 28.916 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 191 | GLN | 0 | -0.025 | -0.020 | 30.602 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 192 | MET | 0 | -0.055 | 0.016 | 33.163 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 193 | ILE | 0 | -0.009 | 0.001 | 29.268 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 194 | SER | 0 | 0.016 | 0.007 | 32.539 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 195 | ASP | -1 | -0.882 | -0.942 | 34.321 | 7.681 | 7.681 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 196 | PHE | 0 | -0.055 | -0.024 | 33.300 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 197 | TYR | 0 | 0.008 | -0.032 | 29.928 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 198 | LYS | 1 | 0.941 | 0.994 | 35.826 | -7.345 | -7.345 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 199 | ILE | 0 | -0.033 | -0.024 | 38.988 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 200 | GLY | 0 | -0.001 | -0.007 | 38.329 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 201 | LEU | 0 | -0.019 | -0.012 | 36.177 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 202 | GLY | 0 | -0.028 | -0.002 | 40.119 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 203 | ASP | -1 | -0.943 | -0.978 | 43.386 | 6.609 | 6.609 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 204 | THR | 0 | -0.108 | -0.052 | 43.419 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 205 | GLY | 0 | -0.006 | 0.006 | 40.755 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 206 | SER | 0 | 0.033 | -0.016 | 37.007 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 207 | PRO | 0 | -0.052 | -0.015 | 36.957 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 208 | ILE | 0 | -0.014 | -0.007 | 31.804 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 209 | ALA | 0 | 0.000 | 0.006 | 30.550 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 210 | TYR | 0 | -0.035 | -0.052 | 30.230 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 211 | PRO | 0 | 0.006 | 0.014 | 27.745 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 212 | ASN | 0 | -0.014 | -0.004 | 29.862 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 213 | VAL | 0 | -0.040 | -0.042 | 29.438 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 214 | ASP | -1 | -0.816 | -0.900 | 29.723 | 9.640 | 9.640 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 215 | PRO | 0 | -0.106 | -0.082 | 29.460 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 216 | GLU | -1 | -0.845 | -0.903 | 30.051 | 9.477 | 9.477 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 217 | ILE | 0 | -0.029 | -0.004 | 24.960 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 218 | MET | 0 | -0.056 | -0.001 | 24.049 | 0.621 | 0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 219 | ALA | 0 | -0.036 | -0.031 | 23.897 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 220 | ASN | 0 | -0.019 | -0.020 | 23.258 | 0.679 | 0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 221 | LEU | 0 | 0.037 | -0.002 | 17.483 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 222 | SER | 0 | -0.067 | -0.048 | 21.635 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 223 | ASP | -1 | -0.874 | -0.937 | 24.281 | 10.785 | 10.785 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 224 | LEU | 0 | -0.082 | -0.038 | 20.540 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 225 | LEU | 0 | -0.058 | -0.039 | 18.051 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 226 | ASP | -1 | -0.984 | -0.967 | 22.086 | 11.063 | 11.063 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 227 | CYS | 0 | -0.032 | -0.032 | 23.458 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 228 | PRO | 0 | -0.047 | -0.020 | 24.922 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 229 | MET | 0 | -0.012 | 0.006 | 20.895 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 230 | THR | 0 | -0.027 | -0.027 | 25.493 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 231 | VAL | 0 | 0.058 | 0.013 | 22.637 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 232 | GLU | -1 | -0.857 | -0.917 | 22.512 | 11.903 | 11.903 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 233 | ASP | -1 | -0.774 | -0.880 | 23.367 | 11.888 | 11.888 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 234 | VAL | 0 | -0.042 | -0.020 | 17.804 | 0.627 | 0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 235 | ILE | 0 | -0.018 | -0.010 | 18.532 | 0.852 | 0.852 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 236 | ASP | -1 | -0.882 | -0.936 | 18.959 | 12.957 | 12.957 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 237 | ARG | 1 | 0.916 | 0.961 | 16.258 | -15.396 | -15.396 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 238 | MET | 0 | -0.029 | -0.009 | 13.894 | 1.135 | 1.135 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 239 | LEU | 0 | -0.013 | -0.006 | 14.451 | 0.991 | 0.991 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 240 | ILE | 0 | -0.003 | -0.003 | 16.163 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 241 | SER | 0 | -0.038 | -0.040 | 11.779 | 0.849 | 0.849 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 242 | LEU | 0 | 0.031 | 0.019 | 11.460 | 1.724 | 1.724 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 243 | LYS | 1 | 0.963 | 1.002 | 12.035 | -15.360 | -15.360 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 244 | GLN | 0 | -0.103 | -0.062 | 12.568 | -1.141 | -1.141 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 245 | VAL | 0 | -0.024 | 0.001 | 6.821 | 0.850 | 0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 246 | GLY | 0 | 0.012 | 0.018 | 8.940 | 1.806 | 1.806 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 247 | PHE | 0 | -0.030 | -0.003 | 7.379 | -0.947 | -0.947 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 248 | ASN | 0 | -0.032 | -0.009 | 12.354 | -1.150 | -1.150 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 249 | ASP | -1 | -0.926 | -0.958 | 15.927 | 15.302 | 15.302 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 250 | ARG | 1 | 0.919 | 0.952 | 17.798 | -14.103 | -14.103 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 251 | LEU | 0 | -0.002 | 0.014 | 20.969 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 252 | LEU | 0 | 0.009 | 0.012 | 20.636 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 253 | MET | 0 | -0.059 | -0.033 | 23.295 | -0.555 | -0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 254 | ILE | 0 | 0.068 | 0.029 | 26.859 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 255 | ARG | 1 | 0.903 | 0.946 | 27.671 | -9.990 | -9.990 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 256 | PRO | 0 | 0.086 | 0.024 | 30.255 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 257 | ASP | -1 | -0.885 | -0.935 | 30.068 | 8.657 | 8.657 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 258 | LEU | 0 | -0.028 | -0.003 | 25.435 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 259 | VAL | 0 | 0.025 | 0.019 | 28.937 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 260 | ALA | 0 | 0.006 | 0.006 | 31.732 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 261 | GLU | -1 | -0.903 | -0.960 | 27.002 | 9.879 | 9.879 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 262 | PHE | 0 | 0.017 | 0.004 | 28.452 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 263 | ASP | -1 | -0.826 | -0.925 | 30.506 | 8.090 | 8.090 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 264 | ARG | 1 | 0.870 | 0.947 | 32.241 | -8.511 | -8.511 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 265 | PHE | 0 | -0.054 | -0.029 | 27.108 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 266 | GLN | 0 | 0.030 | 0.026 | 31.717 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 267 | ALA | 0 | 0.016 | 0.004 | 33.862 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 268 | LYS | 1 | 0.910 | 0.954 | 31.020 | -8.845 | -8.845 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 269 | SER | 0 | -0.074 | -0.040 | 33.026 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 270 | MET | 0 | 0.056 | 0.022 | 35.002 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 271 | ALA | 0 | -0.059 | -0.007 | 38.410 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 272 | ASN | 0 | -0.126 | -0.062 | 36.117 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |