FMODB ID: 3J15L
Calculation Name: 1SQG-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1SQG
Chain ID: A
UniProt ID: P36929
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 424 |
LigandCharge | DGL=-1,DAS=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7628113.994175 |
---|---|
FMO2-HF: Nuclear repulsion | 7460727.948706 |
FMO2-HF: Total energy | -167386.045469 |
FMO2-MP2: Total energy | -167874.873556 |
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:5:ARG)
Summations of interaction energy for
fragment #1(A:5:ARG)
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. |
-20.564 | -19.65 | 21.004 | -8.375 | -13.542 | -0.073 |
Interaction energy analysis for fragmet #1(A:5:ARG)
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 | 7 | LEU | 0 | 0.039 | 0.012 | 3.087 | -3.332 | -0.486 | 0.057 | -1.222 | -1.681 | 0.003 |
4 | A | 8 | ARG | 1 | 0.831 | 0.903 | 4.659 | 30.381 | 30.510 | -0.001 | -0.005 | -0.122 | 0.000 |
5 | A | 9 | SER | 0 | 0.017 | 0.002 | 5.801 | 1.693 | 1.693 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 10 | MET | 0 | -0.054 | -0.009 | 2.834 | -4.874 | -6.174 | 5.423 | -1.112 | -3.012 | -0.010 |
7 | A | 11 | ALA | 0 | 0.047 | 0.013 | 6.348 | 2.357 | 2.357 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 12 | ALA | 0 | -0.015 | -0.002 | 9.385 | 1.911 | 1.911 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 13 | GLN | 0 | 0.005 | -0.014 | 8.246 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 14 | ALA | 0 | 0.023 | 0.018 | 10.040 | 1.379 | 1.379 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 15 | VAL | 0 | 0.011 | 0.001 | 11.863 | 1.401 | 1.401 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 16 | GLU | -1 | -0.788 | -0.877 | 14.392 | -16.505 | -16.505 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 17 | GLN | 0 | -0.074 | -0.053 | 12.117 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 18 | VAL | 0 | -0.025 | -0.002 | 15.839 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 19 | VAL | 0 | -0.027 | -0.018 | 18.077 | 0.785 | 0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 20 | GLU | -1 | -0.793 | -0.849 | 19.465 | -12.704 | -12.704 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 21 | GLN | 0 | -0.092 | -0.050 | 16.826 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 22 | GLY | 0 | 0.027 | 0.030 | 20.671 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 23 | GLN | 0 | -0.012 | 0.000 | 14.965 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 24 | SER | 0 | 0.065 | 0.017 | 18.637 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 25 | LEU | 0 | 0.051 | 0.018 | 13.751 | -1.026 | -1.026 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 26 | SER | 0 | -0.035 | -0.025 | 14.664 | -1.457 | -1.457 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 27 | ASN | 0 | -0.001 | -0.001 | 16.003 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 28 | ILE | 0 | -0.021 | 0.004 | 10.608 | -0.935 | -0.935 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 29 | LEU | 0 | 0.052 | 0.018 | 10.277 | -2.574 | -2.574 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 30 | PRO | 0 | -0.035 | -0.007 | 9.655 | -3.211 | -3.211 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 31 | PRO | 0 | 0.057 | 0.028 | 9.592 | -2.706 | -2.706 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 32 | LEU | 0 | -0.030 | -0.001 | 5.597 | -4.884 | -4.884 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 33 | GLN | 0 | 0.069 | 0.013 | 5.211 | -6.548 | -6.548 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 34 | GLN | 0 | -0.008 | -0.007 | 6.671 | -2.929 | -2.929 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 35 | LYS | 1 | 0.865 | 0.942 | 2.970 | 40.158 | 41.761 | 0.633 | -0.659 | -1.577 | 0.001 |
32 | A | 36 | VAL | 0 | -0.048 | -0.015 | 1.901 | -42.899 | -45.471 | 14.866 | -5.350 | -6.944 | -0.066 |
33 | A | 37 | SER | 0 | 0.015 | -0.013 | 3.319 | 10.867 | 11.075 | 0.026 | -0.027 | -0.206 | -0.001 |
34 | A | 38 | ASP | -1 | -0.771 | -0.898 | 6.388 | -27.244 | -27.244 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 39 | LYS | 1 | 0.938 | 0.971 | 9.392 | 23.131 | 23.131 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 40 | ASP | -1 | -0.817 | -0.885 | 5.050 | -45.445 | -45.445 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 41 | LYS | 1 | 0.815 | 0.907 | 7.178 | 32.712 | 32.712 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 42 | ALA | 0 | 0.067 | 0.041 | 8.309 | 1.587 | 1.587 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 43 | LEU | 0 | -0.018 | -0.001 | 9.232 | 1.540 | 1.540 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 44 | LEU | 0 | -0.001 | -0.013 | 5.754 | 1.052 | 1.052 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 45 | GLN | 0 | 0.020 | 0.001 | 9.056 | 2.286 | 2.286 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 46 | GLU | -1 | -0.729 | -0.828 | 12.332 | -15.219 | -15.219 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 47 | LEU | 0 | -0.050 | -0.022 | 9.440 | 1.268 | 1.268 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 48 | CYS | 0 | -0.058 | -0.013 | 10.554 | 0.708 | 0.708 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 49 | PHE | 0 | 0.017 | -0.008 | 13.390 | 1.058 | 1.058 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 50 | GLY | 0 | 0.035 | 0.014 | 16.071 | 1.148 | 1.148 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 51 | VAL | 0 | 0.009 | 0.001 | 14.998 | 1.014 | 1.014 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 52 | LEU | 0 | -0.005 | -0.001 | 16.593 | 0.874 | 0.874 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 53 | ARG | 1 | 0.854 | 0.931 | 18.935 | 16.016 | 16.016 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 54 | THR | 0 | 0.017 | -0.014 | 20.329 | 0.664 | 0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 55 | LEU | 0 | 0.032 | 0.031 | 19.825 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 56 | SER | 0 | 0.012 | 0.001 | 22.451 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 57 | GLN | 0 | 0.036 | 0.039 | 24.412 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 58 | LEU | 0 | -0.032 | -0.010 | 18.682 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 59 | ASP | -1 | -0.784 | -0.909 | 22.546 | -11.958 | -11.958 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 60 | TRP | 0 | -0.010 | 0.020 | 24.045 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 61 | LEU | 0 | 0.018 | 0.004 | 23.933 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 62 | ILE | 0 | -0.023 | -0.015 | 20.400 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 63 | ASN | 0 | -0.075 | -0.062 | 24.524 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 64 | LYS | 1 | 0.785 | 0.894 | 28.067 | 9.486 | 9.486 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 65 | LEU | 0 | -0.045 | 0.004 | 24.184 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 66 | MET | 0 | -0.068 | -0.026 | 23.007 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 67 | ALA | 0 | 0.046 | 0.028 | 27.480 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 68 | ARG | 1 | 0.910 | 0.946 | 28.319 | 9.346 | 9.346 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 69 | PRO | 0 | 0.084 | 0.053 | 24.603 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 70 | MET | 0 | -0.017 | 0.005 | 20.091 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 71 | THR | 0 | 0.061 | 0.018 | 22.139 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 72 | GLY | 0 | 0.034 | 0.017 | 22.675 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 73 | LYS | 1 | 0.966 | 0.967 | 20.836 | 11.142 | 11.142 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 74 | GLN | 0 | 0.012 | 0.017 | 18.519 | -1.109 | -1.109 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 75 | ARG | 1 | 0.818 | 0.910 | 18.521 | 12.972 | 12.972 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 76 | THR | 0 | 0.022 | -0.019 | 12.284 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 77 | VAL | 0 | -0.052 | -0.038 | 14.778 | -0.720 | -0.720 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 78 | HIS | 0 | -0.037 | -0.017 | 16.320 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 79 | TYR | 0 | 0.027 | -0.023 | 14.629 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 80 | LEU | 0 | -0.032 | -0.011 | 10.489 | -0.532 | -0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 81 | ILE | 0 | -0.008 | -0.010 | 13.646 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 82 | MET | 0 | 0.004 | 0.021 | 16.895 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 83 | VAL | 0 | 0.027 | 0.013 | 10.857 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 84 | GLY | 0 | -0.036 | -0.006 | 14.353 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 85 | LEU | 0 | -0.008 | -0.015 | 15.780 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 86 | TYR | 0 | 0.004 | -0.005 | 15.784 | 0.554 | 0.554 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 87 | GLN | 0 | -0.030 | -0.019 | 12.747 | -0.844 | -0.844 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 88 | LEU | 0 | -0.035 | -0.007 | 16.789 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 89 | LEU | 0 | -0.015 | 0.007 | 20.224 | 0.672 | 0.672 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 90 | TYR | 0 | -0.031 | -0.022 | 19.683 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 91 | THR | 0 | -0.077 | -0.044 | 15.717 | -0.883 | -0.883 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 92 | ARG | 1 | 0.991 | 0.985 | 18.632 | 13.524 | 13.524 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 93 | ILE | 0 | -0.011 | 0.005 | 12.870 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 94 | PRO | 0 | 0.018 | 0.007 | 16.164 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 95 | PRO | 0 | 0.083 | 0.033 | 17.148 | -0.751 | -0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 96 | HIS | 0 | 0.049 | 0.025 | 17.909 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 97 | ALA | 0 | 0.020 | 0.015 | 13.469 | -0.520 | -0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 98 | ALA | 0 | 0.023 | 0.015 | 12.966 | -1.396 | -1.396 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 99 | LEU | 0 | 0.012 | 0.019 | 13.773 | -0.855 | -0.855 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 100 | ALA | 0 | -0.005 | 0.006 | 12.896 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 101 | GLU | -1 | -0.775 | -0.884 | 6.821 | -34.664 | -34.664 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 102 | THR | 0 | -0.016 | -0.020 | 9.447 | -1.826 | -1.826 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 103 | VAL | 0 | -0.018 | -0.014 | 11.843 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 104 | GLU | -1 | -0.809 | -0.902 | 7.492 | -20.558 | -20.558 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 105 | GLY | 0 | 0.046 | 0.027 | 7.607 | -1.068 | -1.068 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 106 | ALA | 0 | 0.012 | -0.001 | 8.641 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 107 | ILE | 0 | -0.017 | -0.007 | 6.235 | 0.780 | 0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 108 | ALA | 0 | 0.015 | 0.015 | 5.163 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 109 | ILE | 0 | -0.010 | 0.008 | 7.033 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 110 | LYS | 1 | 0.834 | 0.916 | 8.060 | 27.833 | 27.833 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 111 | ARG | 1 | 0.846 | 0.918 | 11.925 | 18.093 | 18.093 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 112 | PRO | 0 | 0.070 | 0.034 | 12.692 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 113 | GLN | 0 | 0.054 | 0.014 | 14.036 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 114 | LEU | 0 | -0.014 | -0.013 | 16.373 | 0.702 | 0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 115 | LYS | 1 | 0.791 | 0.900 | 10.970 | 19.465 | 19.465 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 116 | GLY | 0 | 0.022 | 0.013 | 16.193 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 117 | LEU | 0 | 0.017 | 0.014 | 19.874 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 118 | ILE | 0 | 0.014 | 0.004 | 14.253 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 119 | ASN | 0 | 0.035 | 0.007 | 17.872 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 120 | GLY | 0 | 0.001 | 0.009 | 19.050 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 121 | VAL | 0 | 0.003 | -0.009 | 21.375 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 122 | LEU | 0 | 0.024 | 0.015 | 16.670 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 123 | ARG | 1 | 0.838 | 0.905 | 21.238 | 12.329 | 12.329 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 124 | GLN | 0 | -0.061 | -0.039 | 23.644 | 0.620 | 0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 125 | PHE | 0 | 0.061 | 0.015 | 22.808 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 126 | GLN | 0 | 0.031 | 0.014 | 21.257 | 0.572 | 0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 127 | ARG | 1 | 0.817 | 0.917 | 25.839 | 10.220 | 10.220 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 128 | GLN | 0 | 0.062 | 0.041 | 28.609 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 129 | GLN | 0 | 0.000 | 0.008 | 24.642 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 130 | GLU | -1 | -0.945 | -0.962 | 28.595 | -8.828 | -8.828 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 131 | GLU | -1 | -0.815 | -0.927 | 31.951 | -9.085 | -9.085 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 132 | LEU | 0 | -0.032 | -0.014 | 28.297 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 133 | LEU | 0 | -0.010 | -0.003 | 27.880 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 134 | ALA | 0 | 0.011 | 0.011 | 30.489 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 135 | GLU | -1 | -0.803 | -0.892 | 33.993 | -8.675 | -8.675 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 136 | PHE | 0 | 0.006 | 0.004 | 28.380 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 137 | ASN | 0 | -0.030 | -0.026 | 30.803 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 138 | ALA | 0 | -0.003 | 0.019 | 33.752 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 139 | SER | 0 | -0.050 | -0.029 | 33.070 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 140 | ASP | -1 | -0.814 | -0.933 | 34.260 | -8.367 | -8.367 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 141 | ALA | 0 | -0.030 | -0.011 | 29.719 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 142 | ARG | 1 | 0.853 | 0.925 | 29.675 | 8.085 | 8.085 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 143 | TYR | 0 | 0.045 | 0.023 | 30.611 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 144 | LEU | 0 | -0.059 | -0.002 | 25.345 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 145 | HIS | 0 | 0.021 | 0.005 | 27.031 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 146 | PRO | 0 | 0.009 | 0.019 | 28.064 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 147 | SER | 0 | 0.012 | -0.011 | 30.293 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 148 | TRP | 0 | 0.028 | 0.011 | 30.091 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 149 | LEU | 0 | 0.037 | 0.029 | 30.293 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 150 | LEU | 0 | 0.029 | 0.019 | 33.663 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 151 | LYS | 1 | 0.872 | 0.929 | 35.182 | 7.983 | 7.983 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 152 | ARG | 1 | 0.842 | 0.879 | 36.350 | 8.382 | 8.382 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 153 | LEU | 0 | 0.036 | 0.019 | 33.641 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 154 | GLN | 0 | 0.004 | 0.003 | 38.160 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 155 | LYS | 1 | 0.858 | 0.926 | 40.839 | 7.486 | 7.486 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 156 | ALA | 0 | -0.045 | -0.016 | 40.385 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 157 | TYR | 0 | 0.011 | -0.016 | 38.809 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 158 | PRO | 0 | -0.006 | -0.006 | 42.358 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 159 | GLU | -1 | -0.909 | -0.951 | 44.313 | -6.750 | -6.750 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 160 | GLN | 0 | 0.011 | 0.003 | 40.752 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 161 | TRP | 0 | 0.006 | 0.026 | 37.068 | -0.401 | -0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 162 | GLN | 0 | 0.040 | 0.012 | 36.645 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 163 | SER | 0 | -0.021 | -0.025 | 35.711 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 164 | ILE | 0 | 0.027 | 0.022 | 34.296 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 165 | VAL | 0 | -0.052 | -0.033 | 32.052 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 166 | GLU | -1 | -0.894 | -0.932 | 30.791 | -10.102 | -10.102 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 167 | ALA | 0 | 0.080 | 0.038 | 30.417 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 168 | ASN | 0 | -0.055 | -0.039 | 28.978 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 169 | ASN | 0 | -0.048 | -0.046 | 26.337 | -0.787 | -0.787 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 170 | GLN | 0 | -0.073 | -0.041 | 25.864 | -0.563 | -0.563 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 171 | ARG | 1 | 0.841 | 0.909 | 20.196 | 13.759 | 13.759 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 172 | PRO | 0 | 0.005 | 0.013 | 22.932 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 173 | PRO | 0 | 0.056 | 0.040 | 25.263 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 174 | MET | 0 | -0.003 | 0.014 | 21.326 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 175 | TRP | 0 | -0.045 | -0.026 | 26.363 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 176 | LEU | 0 | -0.023 | -0.010 | 26.188 | -0.495 | -0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 177 | ARG | 1 | 0.765 | 0.851 | 29.846 | 9.885 | 9.885 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 178 | ILE | 0 | -0.026 | -0.014 | 31.983 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 179 | ASN | 0 | 0.035 | 0.048 | 34.056 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 180 | ARG | 1 | 0.877 | 0.898 | 35.729 | 7.854 | 7.854 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 181 | THR | 0 | -0.101 | -0.063 | 38.063 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 182 | HIS | 0 | -0.050 | -0.004 | 34.487 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 183 | HIS | 0 | 0.043 | 0.025 | 35.566 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 184 | SER | 0 | 0.015 | 0.012 | 38.776 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 185 | ARG | 1 | 0.862 | 0.893 | 37.019 | 7.730 | 7.730 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 186 | ASP | -1 | -0.832 | -0.908 | 37.408 | -7.877 | -7.877 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 187 | SER | 0 | -0.048 | -0.015 | 39.028 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 188 | TRP | 0 | 0.048 | -0.007 | 28.886 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 189 | LEU | 0 | -0.030 | -0.019 | 34.309 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 190 | ALA | 0 | 0.004 | 0.009 | 35.460 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 191 | LEU | 0 | 0.020 | 0.010 | 33.730 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 192 | LEU | 0 | -0.089 | -0.032 | 28.844 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 193 | ASP | -1 | -0.935 | -0.970 | 31.493 | -9.017 | -9.017 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 194 | GLU | -1 | -0.963 | -0.978 | 33.615 | -8.778 | -8.778 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 195 | ALA | 0 | -0.070 | -0.029 | 28.821 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 196 | GLY | 0 | -0.045 | -0.014 | 28.806 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 197 | MET | 0 | -0.119 | -0.061 | 25.807 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 198 | LYS | 1 | 0.917 | 0.950 | 29.634 | 9.443 | 9.443 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 199 | GLY | 0 | 0.024 | -0.003 | 30.429 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 200 | PHE | 0 | -0.038 | -0.018 | 32.725 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 201 | PRO | 0 | 0.034 | 0.028 | 35.193 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 202 | HIS | 0 | -0.035 | -0.038 | 37.533 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 203 | ALA | 0 | -0.008 | 0.004 | 39.544 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 204 | ASP | -1 | -0.872 | -0.945 | 41.141 | -7.337 | -7.337 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 205 | TYR | 0 | -0.073 | -0.043 | 37.735 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 206 | PRO | 0 | 0.017 | 0.008 | 38.890 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 207 | ASP | -1 | -0.768 | -0.846 | 37.040 | -8.087 | -8.087 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 208 | ALA | 0 | -0.012 | 0.010 | 34.683 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 209 | VAL | 0 | -0.002 | -0.014 | 31.575 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 210 | ARG | 1 | 0.788 | 0.888 | 30.517 | 9.018 | 9.018 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 211 | LEU | 0 | 0.036 | 0.007 | 25.433 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 212 | GLU | -1 | -0.862 | -0.921 | 29.235 | -9.669 | -9.669 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 213 | THR | 0 | -0.066 | -0.047 | 23.599 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 214 | PRO | 0 | -0.042 | -0.027 | 21.509 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 215 | ALA | 0 | 0.052 | 0.024 | 21.074 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 216 | PRO | 0 | -0.032 | -0.030 | 17.273 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 217 | VAL | 0 | 0.043 | 0.009 | 19.291 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 218 | HIS | 0 | -0.010 | -0.004 | 16.114 | 1.030 | 1.030 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 219 | ALA | 0 | 0.010 | 0.016 | 21.503 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 220 | LEU | 0 | -0.034 | -0.011 | 23.386 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 221 | PRO | 0 | 0.032 | 0.010 | 26.170 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 222 | GLY | 0 | 0.138 | 0.086 | 28.519 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 223 | PHE | 0 | -0.036 | -0.025 | 22.551 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 224 | GLU | -1 | -0.941 | -0.984 | 24.874 | -12.259 | -12.259 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 225 | ASP | -1 | -0.892 | -0.935 | 26.840 | -10.042 | -10.042 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 226 | GLY | 0 | 0.008 | -0.007 | 29.512 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 227 | TRP | 0 | 0.010 | -0.010 | 31.017 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 228 | VAL | 0 | -0.006 | 0.024 | 28.026 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 229 | THR | 0 | 0.022 | 0.023 | 27.908 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 230 | VAL | 0 | -0.009 | 0.005 | 23.370 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 231 | GLN | 0 | 0.004 | -0.002 | 26.686 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 232 | ASP | -1 | -0.727 | -0.845 | 29.148 | -10.012 | -10.012 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 233 | ALA | 0 | 0.055 | 0.029 | 30.609 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 234 | SER | 0 | 0.005 | -0.005 | 33.873 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 235 | ALA | 0 | 0.000 | 0.022 | 32.187 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 236 | GLN | 0 | -0.022 | -0.031 | 32.264 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 237 | GLY | 0 | 0.017 | 0.014 | 35.839 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 238 | CYS | 0 | -0.062 | -0.028 | 36.496 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 239 | MET | 0 | -0.014 | 0.004 | 37.981 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 240 | THR | 0 | -0.012 | 0.001 | 41.221 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 241 | TRP | 0 | 0.013 | 0.022 | 41.904 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 242 | LEU | 0 | -0.005 | -0.005 | 41.142 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 243 | ALA | 0 | -0.017 | -0.003 | 44.524 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 244 | PRO | 0 | 0.008 | 0.008 | 42.217 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 245 | GLN | 0 | 0.017 | 0.002 | 45.557 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 246 | ASN | 0 | -0.024 | -0.034 | 47.172 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 247 | GLY | 0 | 0.000 | 0.003 | 47.737 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 248 | GLU | -1 | -0.800 | -0.880 | 47.180 | -6.625 | -6.625 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 249 | HIS | 0 | -0.035 | -0.017 | 45.887 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 250 | ILE | 0 | -0.021 | -0.003 | 41.627 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 251 | LEU | 0 | -0.005 | -0.002 | 39.684 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 252 | ASP | -1 | -0.790 | -0.896 | 35.304 | -9.098 | -9.098 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 253 | LEU | 0 | 0.031 | -0.001 | 36.310 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 254 | CYS | 0 | -0.021 | -0.002 | 32.185 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 255 | ALA | 0 | 0.039 | 0.034 | 32.197 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 256 | ALA | 0 | -0.016 | 0.022 | 27.129 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 257 | PRO | 0 | -0.052 | -0.045 | 25.310 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 258 | GLY | 0 | 0.072 | 0.021 | 27.299 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 259 | GLY | 0 | -0.021 | 0.011 | 29.546 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 260 | LYS | 1 | 0.805 | 0.888 | 30.699 | 10.048 | 10.048 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 261 | THR | 0 | 0.008 | -0.030 | 33.610 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 262 | THR | 0 | -0.019 | -0.008 | 31.543 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 263 | HIS | 0 | -0.022 | -0.006 | 34.481 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 264 | ILE | 0 | 0.025 | -0.008 | 36.339 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 265 | LEU | 0 | -0.012 | -0.005 | 36.911 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 266 | GLU | -1 | -0.806 | -0.881 | 34.256 | -9.160 | -9.160 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 267 | VAL | 0 | -0.087 | -0.045 | 38.956 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 268 | ALA | 0 | 0.015 | 0.009 | 42.030 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 269 | PRO | 0 | -0.006 | -0.004 | 41.528 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 270 | GLU | -1 | -0.881 | -0.924 | 42.594 | -6.625 | -6.625 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 271 | ALA | 0 | 0.004 | 0.016 | 42.618 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 272 | GLN | 0 | -0.060 | -0.031 | 42.861 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 273 | VAL | 0 | -0.028 | -0.016 | 38.389 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 274 | VAL | 0 | -0.044 | -0.012 | 39.567 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 275 | ALA | 0 | 0.011 | -0.002 | 34.866 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 276 | VAL | 0 | 0.010 | 0.000 | 34.854 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 277 | ASP | -1 | -0.820 | -0.931 | 29.547 | -10.815 | -10.815 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 278 | ILE | 0 | 0.018 | 0.011 | 30.034 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 279 | DAS | -1 | -0.794 | -0.878 | 26.102 | -12.180 | -12.180 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 280 | GLU | -1 | -0.757 | -0.869 | 26.786 | -10.703 | -10.703 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 281 | GLN | 0 | -0.117 | -0.071 | 21.600 | -0.963 | -0.963 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 282 | ARG | 1 | 0.783 | 0.880 | 23.133 | 11.300 | 11.300 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 283 | LEU | 0 | 0.055 | 0.027 | 25.755 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 284 | SER | 0 | -0.018 | 0.002 | 23.234 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 285 | ARG | 1 | 0.928 | 0.959 | 21.353 | 14.043 | 14.043 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 286 | VAL | 0 | 0.035 | 0.026 | 25.397 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 287 | TYR | 0 | 0.021 | 0.000 | 27.862 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 288 | ASP | -1 | -0.899 | -0.929 | 23.480 | -13.009 | -13.009 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 289 | ASN | 0 | -0.015 | -0.014 | 25.846 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 290 | LEU | 0 | -0.012 | 0.011 | 28.272 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 291 | LYS | 1 | 0.816 | 0.887 | 26.223 | 11.991 | 11.991 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 292 | ARG | 1 | 0.762 | 0.852 | 25.263 | 11.687 | 11.687 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 293 | LEU | 0 | 0.020 | 0.017 | 28.926 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 294 | GLY | 0 | -0.019 | 0.013 | 32.402 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 295 | MET | 0 | -0.043 | 0.001 | 34.184 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 296 | LYS | 1 | 0.883 | 0.916 | 35.454 | 8.322 | 8.322 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 297 | ALA | 0 | 0.098 | 0.060 | 36.320 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 298 | THR | 0 | -0.092 | -0.053 | 37.621 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 299 | VAL | 0 | 0.034 | 0.021 | 31.951 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 300 | LYS | 1 | 0.845 | 0.918 | 35.315 | 7.906 | 7.906 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 301 | GLN | 0 | -0.037 | -0.024 | 31.903 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 302 | GLY | 0 | 0.009 | -0.028 | 34.075 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 303 | ASP | -1 | -0.801 | -0.877 | 35.230 | -8.870 | -8.870 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 304 | GLY | 0 | 0.028 | 0.007 | 36.658 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 305 | ARG | 1 | 0.821 | 0.913 | 36.295 | 8.623 | 8.623 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 306 | TYR | 0 | -0.078 | -0.049 | 38.866 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 307 | PRO | 0 | 0.074 | 0.024 | 41.720 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 308 | SER | 0 | 0.004 | 0.006 | 42.745 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 309 | GLN | 0 | -0.040 | -0.025 | 39.665 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 310 | TRP | 0 | 0.023 | 0.029 | 39.025 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 311 | CYS | 0 | -0.104 | -0.043 | 41.075 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 312 | GLY | 0 | 0.041 | 0.038 | 44.143 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 313 | DGL | -1 | -0.855 | -0.946 | 47.266 | -6.525 | -6.525 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 314 | GLN | 0 | -0.043 | -0.024 | 45.162 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 315 | GLN | 0 | 0.002 | 0.002 | 48.064 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 316 | PHE | 0 | -0.021 | -0.017 | 44.409 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 317 | ASP | -1 | -0.799 | -0.881 | 47.765 | -6.328 | -6.328 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 318 | ARG | 1 | 0.787 | 0.853 | 45.510 | 6.744 | 6.744 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 319 | ILE | 0 | -0.014 | 0.003 | 42.035 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 320 | LEU | 0 | -0.008 | 0.009 | 37.364 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 321 | LEU | 0 | -0.001 | -0.008 | 37.501 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 322 | ASP | -1 | -0.838 | -0.903 | 32.546 | -9.636 | -9.636 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 323 | ALA | 0 | 0.023 | 0.021 | 34.135 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 324 | PRO | 0 | 0.005 | 0.005 | 32.299 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 325 | CYS | 0 | -0.020 | 0.003 | 32.011 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 326 | SER | 0 | -0.097 | -0.092 | 31.001 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 327 | ALA | 0 | 0.039 | 0.006 | 28.111 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 328 | THR | 0 | -0.018 | -0.028 | 29.123 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 329 | GLY | 0 | 0.003 | 0.020 | 31.086 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 330 | VAL | 0 | 0.042 | 0.018 | 26.995 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 331 | ILE | 0 | -0.040 | -0.008 | 25.749 | -0.575 | -0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 332 | ARG | 1 | 0.788 | 0.880 | 24.490 | 10.010 | 10.010 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 333 | ARG | 1 | 0.678 | 0.807 | 22.847 | 11.294 | 11.294 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 334 | HIS | 0 | -0.018 | -0.002 | 21.026 | -1.278 | -1.278 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 335 | PRO | 0 | 0.048 | 0.026 | 19.592 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 336 | ASP | -1 | -0.820 | -0.925 | 19.161 | -14.766 | -14.766 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 337 | ILE | 0 | 0.016 | 0.015 | 21.223 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 338 | LYS | 1 | 0.762 | 0.876 | 24.590 | 12.467 | 12.467 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 339 | TRP | 0 | -0.062 | -0.059 | 21.921 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 340 | LEU | 0 | -0.043 | 0.000 | 20.692 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 341 | ARG | 1 | 0.808 | 0.921 | 24.675 | 11.329 | 11.329 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 342 | ARG | 1 | 0.822 | 0.872 | 28.413 | 9.894 | 9.894 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 343 | ASP | -1 | -0.792 | -0.866 | 31.270 | -8.223 | -8.223 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 344 | ARG | 1 | 0.959 | 0.972 | 33.814 | 9.058 | 9.058 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 345 | ASP | -1 | -0.678 | -0.803 | 30.459 | -9.951 | -9.951 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 346 | ILE | 0 | -0.016 | 0.007 | 33.851 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 347 | PRO | 0 | -0.001 | -0.008 | 36.593 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 348 | GLU | -1 | -0.903 | -0.945 | 34.089 | -8.961 | -8.961 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 349 | LEU | 0 | -0.017 | -0.014 | 31.740 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 350 | ALA | 0 | 0.034 | 0.029 | 36.091 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 351 | GLN | 0 | -0.008 | 0.002 | 39.604 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 352 | LEU | 0 | 0.009 | 0.010 | 34.327 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 353 | GLN | 0 | -0.023 | -0.052 | 35.889 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 354 | SER | 0 | 0.032 | 0.023 | 39.556 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 355 | GLU | -1 | -0.852 | -0.924 | 40.343 | -7.705 | -7.705 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 356 | ILE | 0 | -0.055 | -0.039 | 36.960 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 357 | LEU | 0 | -0.016 | 0.000 | 40.968 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 358 | ASP | -1 | -0.802 | -0.888 | 43.603 | -6.607 | -6.607 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 359 | ALA | 0 | -0.043 | -0.011 | 43.234 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 360 | ILE | 0 | -0.052 | -0.030 | 42.218 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 361 | TRP | 0 | -0.005 | -0.011 | 44.848 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 362 | PRO | 0 | -0.009 | 0.002 | 47.986 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 363 | HIS | 1 | 0.827 | 0.905 | 45.819 | 6.887 | 6.887 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 364 | LEU | 0 | -0.017 | 0.013 | 47.321 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 365 | LYS | 1 | 0.850 | 0.922 | 49.174 | 6.440 | 6.440 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 366 | THR | 0 | 0.011 | -0.016 | 52.495 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 367 | GLY | 0 | -0.010 | 0.004 | 55.366 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 368 | GLY | 0 | 0.016 | 0.021 | 50.949 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 369 | THR | 0 | -0.022 | -0.022 | 46.468 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 370 | LEU | 0 | -0.004 | 0.003 | 43.275 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 371 | VAL | 0 | -0.013 | -0.011 | 41.078 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 372 | TYR | 0 | 0.017 | -0.006 | 39.564 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 373 | ALA | 0 | 0.002 | -0.009 | 37.155 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 374 | THR | 0 | 0.008 | -0.019 | 35.047 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 375 | CYS | 0 | 0.031 | 0.026 | 30.626 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 376 | SER | 0 | -0.007 | -0.035 | 31.924 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 377 | VAL | 0 | 0.052 | 0.023 | 34.336 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 378 | LEU | 0 | -0.034 | 0.001 | 34.894 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 379 | PRO | 0 | 0.071 | 0.031 | 38.251 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 380 | GLU | -1 | -0.888 | -0.959 | 40.315 | -7.437 | -7.437 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 381 | GLU | -1 | -0.719 | -0.788 | 35.340 | -8.995 | -8.995 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 382 | ASN | 0 | 0.007 | 0.031 | 37.684 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 383 | SER | 0 | 0.055 | 0.030 | 41.419 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 384 | LEU | 0 | -0.034 | -0.025 | 44.653 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 385 | GLN | 0 | -0.067 | -0.021 | 40.908 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 386 | ILE | 0 | 0.058 | 0.020 | 43.866 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 387 | LYS | 1 | 0.845 | 0.926 | 46.571 | 6.215 | 6.215 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 388 | ALA | 0 | 0.004 | -0.004 | 47.492 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 389 | PHE | 0 | 0.011 | 0.004 | 47.068 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 390 | LEU | 0 | 0.030 | 0.017 | 49.084 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 391 | GLN | 0 | -0.076 | -0.031 | 52.160 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 392 | ARG | 1 | 0.771 | 0.873 | 45.850 | 6.813 | 6.813 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 393 | THR | 0 | -0.026 | -0.016 | 51.195 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 394 | ALA | 0 | 0.003 | -0.006 | 53.746 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 395 | ASP | -1 | -0.813 | -0.878 | 54.597 | -5.838 | -5.838 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 396 | ALA | 0 | -0.009 | 0.008 | 51.811 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 397 | GLU | -1 | -0.880 | -0.917 | 53.341 | -5.677 | -5.677 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 398 | LEU | 0 | -0.069 | -0.039 | 48.830 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 399 | CYS | 0 | -0.024 | -0.018 | 50.503 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 400 | DGL | -1 | -0.865 | -0.925 | 49.887 | -6.102 | -6.102 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 401 | THR | 0 | -0.065 | -0.022 | 45.469 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 402 | GLY | 0 | 0.042 | 0.042 | 48.211 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 403 | THR | 0 | 0.011 | -0.009 | 49.897 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 404 | PRO | 0 | 0.087 | 0.022 | 51.884 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 405 | GLU | -1 | -0.943 | -0.951 | 53.711 | -5.828 | -5.828 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 406 | GLN | 0 | -0.060 | -0.044 | 49.476 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 407 | PRO | 0 | -0.006 | 0.016 | 47.423 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 408 | GLY | 0 | 0.051 | -0.010 | 44.979 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 409 | LYS | 1 | 0.865 | 0.949 | 41.657 | 7.719 | 7.719 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 410 | GLN | 0 | -0.038 | -0.022 | 37.664 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 411 | ASN | 0 | 0.024 | 0.006 | 37.279 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 412 | LEU | 0 | 0.004 | -0.017 | 36.367 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 413 | PRO | 0 | -0.022 | 0.010 | 31.821 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 414 | GLY | 0 | 0.068 | 0.016 | 33.363 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 415 | ALA | 0 | -0.012 | 0.008 | 31.472 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 416 | GLU | -1 | -0.834 | -0.896 | 32.325 | -9.150 | -9.150 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 417 | GLU | -1 | -0.766 | -0.877 | 34.115 | -8.266 | -8.266 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 418 | GLY | 0 | 0.017 | 0.040 | 32.922 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 419 | ASP | -1 | -0.819 | -0.903 | 29.098 | -11.079 | -11.079 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 420 | GLY | 0 | -0.030 | -0.003 | 32.033 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 421 | PHE | 0 | -0.007 | -0.023 | 32.799 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 422 | PHE | 0 | -0.003 | 0.009 | 35.701 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 423 | TYR | 0 | -0.015 | -0.043 | 37.789 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 424 | ALA | 0 | 0.019 | 0.002 | 41.467 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 425 | LYS | 1 | 0.864 | 0.938 | 44.623 | 6.549 | 6.549 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 426 | LEU | 0 | -0.013 | -0.003 | 46.325 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 427 | ILE | 0 | -0.001 | -0.001 | 49.133 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 428 | LYS | 1 | 0.809 | 0.897 | 51.820 | 6.092 | 6.092 | 0.000 | 0.000 | 0.000 | 0.000 |