FMODB ID: NNYMQ
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 | 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 | 424 |
LigandCharge | DGL=-1,DAS=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7617221.819223 |
---|---|
FMO2-HF: Nuclear repulsion | 7449838.362288 |
FMO2-HF: Total energy | -167383.456934 |
FMO2-MP2: Total energy | -167872.600281 |
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. |
-14.81 | -12.322 | 18.913 | -7.143 | -14.257 | -0.048 |
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 | 0.044 | 0.003 | 2.956 | -1.262 | 1.893 | 0.054 | -1.347 | -1.862 | 0.005 |
4 | A | 8 | ARG | 1 | 0.935 | 0.970 | 4.709 | 29.978 | 30.109 | -0.001 | -0.006 | -0.123 | 0.000 |
5 | A | 9 | SER | 0 | -0.030 | -0.014 | 5.563 | 1.464 | 1.464 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 10 | MET | 0 | -0.045 | -0.009 | 2.889 | -4.382 | -4.366 | 3.503 | -0.817 | -2.703 | -0.010 |
7 | A | 11 | ALA | 0 | 0.041 | 0.015 | 6.765 | 2.081 | 2.081 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 12 | ALA | 0 | -0.020 | -0.003 | 9.537 | 1.868 | 1.868 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 13 | GLN | 0 | -0.003 | -0.016 | 7.822 | -0.707 | -0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 14 | ALA | 0 | 0.037 | 0.025 | 10.224 | 1.263 | 1.263 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 15 | VAL | 0 | -0.002 | -0.009 | 11.974 | 1.402 | 1.402 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 16 | GLU | -1 | -0.818 | -0.872 | 14.637 | -16.037 | -16.037 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 17 | GLN | 0 | -0.037 | -0.024 | 12.329 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 18 | VAL | 0 | -0.029 | -0.004 | 16.083 | 0.767 | 0.767 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 19 | VAL | 0 | -0.052 | -0.036 | 18.312 | 0.773 | 0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 20 | GLU | -1 | -0.808 | -0.877 | 19.691 | -12.334 | -12.334 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 21 | GLN | 0 | -0.086 | -0.044 | 17.095 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 22 | GLY | 0 | 0.017 | 0.032 | 20.824 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 23 | GLN | 0 | -0.034 | -0.023 | 15.310 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 24 | SER | 0 | 0.058 | 0.020 | 18.822 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 25 | LEU | 0 | 0.063 | 0.023 | 13.350 | -0.980 | -0.980 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 26 | SER | 0 | -0.053 | -0.028 | 14.716 | -1.356 | -1.356 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 27 | ASN | 0 | 0.025 | 0.007 | 16.108 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 28 | ILE | 0 | -0.027 | -0.006 | 10.245 | -1.106 | -1.106 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 29 | LEU | 0 | 0.019 | -0.003 | 9.335 | -2.366 | -2.366 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 30 | PRO | 0 | -0.008 | 0.021 | 9.426 | -3.296 | -3.296 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 31 | PRO | 0 | 0.064 | 0.021 | 9.562 | -2.696 | -2.696 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 32 | LEU | 0 | -0.061 | -0.027 | 5.834 | -5.227 | -5.227 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 33 | GLN | 0 | 0.070 | 0.025 | 4.902 | -5.812 | -5.731 | -0.001 | -0.002 | -0.078 | 0.000 |
30 | A | 34 | GLN | 0 | -0.028 | -0.007 | 6.848 | -2.926 | -2.926 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 35 | LYS | 1 | 0.890 | 0.964 | 2.838 | 39.572 | 41.271 | 1.117 | -0.685 | -2.131 | 0.001 |
32 | A | 36 | VAL | 0 | -0.071 | -0.027 | 1.809 | -33.088 | -35.915 | 14.198 | -4.365 | -7.006 | -0.044 |
33 | A | 37 | SER | 0 | 0.048 | 0.031 | 3.371 | 9.922 | 10.062 | 0.044 | 0.082 | -0.266 | 0.000 |
34 | A | 38 | ASP | -1 | -0.805 | -0.917 | 6.090 | -25.833 | -25.833 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 39 | LYS | 1 | 0.938 | 0.962 | 9.609 | 22.471 | 22.471 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 40 | ASP | -1 | -0.855 | -0.935 | 4.904 | -45.783 | -45.690 | -0.001 | -0.003 | -0.088 | 0.000 |
37 | A | 41 | LYS | 1 | 0.912 | 0.958 | 7.150 | 30.257 | 30.257 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 42 | ALA | 0 | 0.028 | 0.019 | 8.266 | 1.731 | 1.731 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 43 | LEU | 0 | 0.014 | 0.014 | 8.783 | 1.480 | 1.480 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 44 | LEU | 0 | -0.005 | -0.009 | 5.495 | 1.195 | 1.195 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 45 | GLN | 0 | -0.019 | -0.037 | 8.637 | 2.435 | 2.435 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 46 | GLU | -1 | -0.848 | -0.899 | 11.938 | -15.734 | -15.734 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 47 | LEU | 0 | -0.053 | -0.032 | 8.935 | 1.318 | 1.318 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 48 | CYS | 0 | -0.044 | -0.006 | 10.457 | 0.918 | 0.918 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 49 | PHE | 0 | 0.009 | -0.007 | 13.335 | 1.137 | 1.137 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 50 | GLY | 0 | 0.019 | 0.014 | 15.891 | 1.161 | 1.161 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 51 | VAL | 0 | 0.013 | 0.003 | 14.751 | 0.993 | 0.993 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 52 | LEU | 0 | 0.006 | 0.003 | 16.917 | 0.892 | 0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 53 | ARG | 1 | 0.918 | 0.973 | 19.272 | 15.222 | 15.222 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 54 | THR | 0 | 0.015 | -0.009 | 20.098 | 0.685 | 0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 55 | LEU | 0 | 0.037 | 0.035 | 19.877 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 56 | SER | 0 | 0.032 | 0.017 | 22.286 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 57 | GLN | 0 | 0.069 | 0.064 | 24.387 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 58 | LEU | 0 | -0.045 | -0.028 | 18.684 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 59 | ASP | -1 | -0.892 | -0.958 | 22.765 | -11.281 | -11.281 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 60 | TRP | 0 | -0.007 | 0.003 | 24.574 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 61 | LEU | 0 | -0.006 | -0.010 | 24.094 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 62 | ILE | 0 | -0.013 | -0.011 | 21.100 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 63 | ASN | 0 | -0.036 | -0.029 | 25.051 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 64 | LYS | 1 | 0.880 | 0.966 | 28.489 | 9.424 | 9.424 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 65 | LEU | 0 | -0.041 | -0.001 | 24.581 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 66 | MET | 0 | -0.072 | -0.028 | 22.648 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 67 | ALA | 0 | 0.036 | 0.024 | 27.526 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 68 | ARG | 1 | 0.905 | 0.944 | 28.246 | 9.182 | 9.182 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 69 | PRO | 0 | 0.074 | 0.045 | 24.441 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 70 | MET | 0 | -0.015 | 0.002 | 20.146 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 71 | THR | 0 | 0.057 | 0.021 | 22.084 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 72 | GLY | 0 | 0.056 | 0.028 | 22.556 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 73 | LYS | 1 | 0.976 | 0.982 | 20.523 | 10.982 | 10.982 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 74 | GLN | 0 | 0.026 | 0.020 | 18.496 | -1.070 | -1.070 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 75 | ARG | 1 | 0.880 | 0.951 | 18.612 | 12.617 | 12.617 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 76 | THR | 0 | 0.016 | -0.040 | 12.128 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 77 | VAL | 0 | -0.046 | -0.031 | 14.669 | -0.652 | -0.652 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 78 | HIS | 0 | 0.013 | 0.022 | 16.166 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 79 | TYR | 0 | 0.023 | -0.022 | 15.055 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 80 | LEU | 0 | -0.032 | -0.012 | 10.713 | -0.513 | -0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 81 | ILE | 0 | -0.022 | -0.017 | 13.881 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 82 | MET | 0 | 0.013 | 0.018 | 17.150 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 83 | VAL | 0 | 0.036 | 0.023 | 11.014 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 84 | GLY | 0 | -0.027 | -0.006 | 14.481 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 85 | LEU | 0 | -0.001 | -0.014 | 15.749 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 86 | TYR | 0 | -0.030 | -0.019 | 15.367 | 0.582 | 0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 87 | GLN | 0 | -0.045 | -0.026 | 12.545 | -0.811 | -0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 88 | LEU | 0 | -0.041 | -0.014 | 16.538 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 89 | LEU | 0 | -0.035 | -0.008 | 19.894 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 90 | TYR | 0 | -0.048 | -0.050 | 19.322 | 0.564 | 0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 91 | THR | 0 | -0.043 | -0.016 | 15.433 | -0.758 | -0.758 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 92 | ARG | 1 | 0.976 | 0.976 | 18.688 | 13.395 | 13.395 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 93 | ILE | 0 | -0.032 | -0.002 | 12.950 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 94 | PRO | 0 | 0.027 | 0.011 | 16.180 | 0.551 | 0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 95 | PRO | 0 | 0.102 | 0.042 | 17.145 | -0.791 | -0.791 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 96 | HIS | 0 | 0.047 | 0.022 | 17.097 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 97 | ALA | 0 | 0.007 | 0.009 | 13.651 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 98 | ALA | 0 | 0.019 | 0.014 | 13.245 | -1.270 | -1.270 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 99 | LEU | 0 | -0.004 | -0.008 | 13.940 | -0.773 | -0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 100 | ALA | 0 | -0.015 | -0.002 | 12.948 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 101 | GLU | -1 | -0.902 | -0.958 | 7.528 | -30.581 | -30.581 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 102 | THR | 0 | -0.002 | -0.013 | 9.537 | -1.740 | -1.740 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 103 | VAL | 0 | -0.036 | -0.021 | 11.714 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 104 | GLU | -1 | -0.883 | -0.940 | 8.019 | -20.602 | -20.602 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 105 | GLY | 0 | 0.001 | 0.006 | 7.627 | -1.204 | -1.204 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 106 | ALA | 0 | 0.009 | -0.013 | 8.710 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 107 | ILE | 0 | -0.030 | -0.009 | 7.121 | 0.719 | 0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 108 | ALA | 0 | 0.003 | -0.002 | 5.243 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 109 | ILE | 0 | -0.052 | -0.011 | 7.328 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 110 | LYS | 1 | 0.914 | 0.952 | 9.319 | 25.066 | 25.066 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 111 | ARG | 1 | 0.822 | 0.902 | 12.462 | 17.363 | 17.363 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 112 | PRO | 0 | 0.093 | 0.050 | 12.702 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 113 | GLN | 0 | 0.064 | 0.018 | 14.024 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 114 | LEU | 0 | -0.018 | -0.022 | 16.457 | 0.730 | 0.730 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 115 | LYS | 1 | 0.944 | 0.992 | 12.968 | 16.500 | 16.500 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 116 | GLY | 0 | 0.005 | 0.005 | 16.185 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 117 | LEU | 0 | 0.027 | 0.018 | 19.775 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 118 | ILE | 0 | 0.019 | 0.013 | 14.239 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 119 | ASN | 0 | 0.023 | 0.005 | 17.922 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 120 | GLY | 0 | -0.011 | -0.002 | 19.047 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 121 | VAL | 0 | -0.005 | -0.010 | 21.208 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 122 | LEU | 0 | 0.031 | 0.014 | 16.751 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 123 | ARG | 1 | 0.920 | 0.962 | 21.283 | 12.198 | 12.198 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 124 | GLN | 0 | -0.038 | -0.020 | 23.619 | 0.536 | 0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 125 | PHE | 0 | 0.066 | 0.021 | 23.013 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 126 | GLN | 0 | -0.001 | -0.016 | 22.358 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 127 | ARG | 1 | 0.853 | 0.932 | 25.838 | 10.394 | 10.394 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 128 | GLN | 0 | 0.052 | 0.031 | 28.728 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 129 | GLN | 0 | -0.021 | 0.005 | 25.087 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 130 | GLU | -1 | -0.942 | -0.971 | 28.631 | -8.636 | -8.636 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 131 | GLU | -1 | -0.847 | -0.931 | 31.876 | -8.894 | -8.894 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 132 | LEU | 0 | -0.020 | -0.015 | 28.230 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 133 | LEU | 0 | -0.018 | -0.013 | 27.874 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 134 | ALA | 0 | 0.012 | 0.008 | 30.713 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 135 | GLU | -1 | -0.908 | -0.955 | 33.749 | -8.453 | -8.453 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 136 | PHE | 0 | -0.006 | 0.002 | 28.295 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 137 | ASN | 0 | -0.034 | -0.029 | 30.693 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 138 | ALA | 0 | 0.012 | 0.022 | 33.715 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 139 | SER | 0 | -0.069 | -0.037 | 32.959 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 140 | ASP | -1 | -0.850 | -0.943 | 34.563 | -8.221 | -8.221 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 141 | ALA | 0 | -0.038 | -0.020 | 29.676 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 142 | ARG | 1 | 0.919 | 0.965 | 29.684 | 8.045 | 8.045 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 143 | TYR | 0 | 0.012 | -0.002 | 30.408 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 144 | LEU | 0 | -0.044 | -0.001 | 25.258 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 145 | HIS | 0 | -0.010 | 0.003 | 27.315 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 146 | PRO | 0 | 0.015 | 0.021 | 27.959 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 147 | SER | 0 | 0.032 | 0.004 | 30.399 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 148 | TRP | 0 | 0.034 | 0.011 | 30.060 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 149 | LEU | 0 | 0.031 | 0.023 | 30.330 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 150 | LEU | 0 | 0.023 | 0.018 | 33.773 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 151 | LYS | 1 | 0.894 | 0.943 | 35.126 | 7.828 | 7.828 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 152 | ARG | 1 | 0.887 | 0.930 | 36.185 | 8.347 | 8.347 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 153 | LEU | 0 | 0.032 | 0.015 | 33.619 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 154 | GLN | 0 | 0.010 | 0.009 | 38.146 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 155 | LYS | 1 | 0.920 | 0.966 | 40.654 | 7.172 | 7.172 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 156 | ALA | 0 | -0.038 | -0.013 | 40.603 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 157 | TYR | 0 | -0.037 | -0.036 | 38.810 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 158 | PRO | 0 | 0.002 | -0.010 | 42.208 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 159 | GLU | -1 | -0.911 | -0.952 | 44.534 | -6.765 | -6.765 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 160 | GLN | 0 | 0.040 | 0.017 | 40.608 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 161 | TRP | 0 | 0.019 | 0.032 | 36.504 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 162 | GLN | 0 | 0.018 | -0.002 | 36.764 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 163 | SER | 0 | -0.010 | -0.014 | 35.710 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 164 | ILE | 0 | 0.028 | 0.023 | 34.267 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 165 | VAL | 0 | -0.042 | -0.024 | 32.078 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 166 | GLU | -1 | -0.895 | -0.940 | 30.859 | -10.026 | -10.026 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 167 | ALA | 0 | 0.075 | 0.037 | 30.548 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 168 | ASN | 0 | -0.104 | -0.070 | 28.802 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 169 | ASN | 0 | -0.046 | -0.038 | 26.406 | -0.740 | -0.740 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 170 | GLN | 0 | -0.051 | -0.026 | 25.855 | -0.596 | -0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 171 | ARG | 1 | 0.869 | 0.928 | 20.680 | 13.166 | 13.166 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 172 | PRO | 0 | 0.007 | 0.008 | 22.707 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 173 | PRO | 0 | 0.069 | 0.052 | 25.068 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 174 | MET | 0 | -0.010 | 0.009 | 21.684 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 175 | TRP | 0 | -0.035 | -0.015 | 26.399 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 176 | LEU | 0 | -0.017 | -0.013 | 26.725 | -0.423 | -0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 177 | ARG | 1 | 0.767 | 0.848 | 30.160 | 9.786 | 9.786 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 178 | ILE | 0 | -0.029 | -0.020 | 32.538 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 179 | ASN | 0 | 0.061 | 0.058 | 34.219 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 180 | ARG | 1 | 0.908 | 0.926 | 35.921 | 7.805 | 7.805 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 181 | THR | 0 | -0.108 | -0.070 | 38.109 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 182 | HIS | 0 | -0.027 | 0.003 | 35.361 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 183 | HIS | 0 | 0.032 | 0.014 | 35.377 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 184 | SER | 0 | 0.028 | 0.021 | 39.137 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 185 | ARG | 1 | 0.940 | 0.952 | 37.406 | 7.729 | 7.729 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 186 | ASP | -1 | -0.849 | -0.940 | 37.984 | -7.785 | -7.785 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 187 | SER | 0 | -0.016 | 0.002 | 39.280 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 188 | TRP | 0 | 0.032 | -0.005 | 29.598 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 189 | LEU | 0 | -0.017 | -0.019 | 34.578 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 190 | ALA | 0 | -0.004 | 0.010 | 35.612 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 191 | LEU | 0 | 0.004 | 0.009 | 33.676 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 192 | LEU | 0 | -0.070 | -0.028 | 29.110 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 193 | ASP | -1 | -0.960 | -0.983 | 31.721 | -8.957 | -8.957 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 194 | GLU | -1 | -0.945 | -0.958 | 33.836 | -8.829 | -8.829 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 195 | ALA | 0 | -0.078 | -0.038 | 28.894 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 196 | GLY | 0 | -0.046 | -0.015 | 28.923 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 197 | MET | 0 | -0.103 | -0.049 | 26.514 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 198 | LYS | 1 | 0.993 | 1.012 | 29.887 | 9.223 | 9.223 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 199 | GLY | 0 | 0.032 | -0.003 | 31.101 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 200 | PHE | 0 | -0.059 | -0.038 | 33.163 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 201 | PRO | 0 | 0.028 | 0.029 | 35.515 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 202 | HIS | 0 | -0.018 | -0.025 | 36.952 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 203 | ALA | 0 | -0.016 | -0.011 | 39.231 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 204 | ASP | -1 | -0.875 | -0.937 | 40.903 | -7.266 | -7.266 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 205 | TYR | 0 | -0.065 | -0.035 | 37.624 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 206 | PRO | 0 | 0.017 | 0.003 | 38.940 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 207 | ASP | -1 | -0.819 | -0.888 | 37.151 | -8.089 | -8.089 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 208 | ALA | 0 | -0.032 | -0.001 | 34.570 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 209 | VAL | 0 | 0.002 | -0.002 | 31.992 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 210 | ARG | 1 | 0.918 | 0.974 | 30.801 | 9.017 | 9.017 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 211 | LEU | 0 | 0.013 | -0.005 | 26.000 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 212 | GLU | -1 | -0.958 | -0.975 | 29.222 | -9.985 | -9.985 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 213 | THR | 0 | -0.052 | -0.035 | 23.734 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 214 | PRO | 0 | -0.038 | -0.028 | 21.678 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 215 | ALA | 0 | 0.053 | 0.029 | 21.617 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 216 | PRO | 0 | -0.015 | -0.020 | 17.591 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 217 | VAL | 0 | 0.053 | 0.002 | 19.619 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 218 | HIS | 0 | -0.022 | -0.009 | 16.621 | 0.930 | 0.930 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 219 | ALA | 0 | -0.001 | 0.010 | 21.384 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 220 | LEU | 0 | -0.037 | -0.008 | 23.226 | 0.499 | 0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 221 | PRO | 0 | 0.051 | 0.019 | 26.183 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 222 | GLY | 0 | 0.138 | 0.060 | 28.657 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 223 | PHE | 0 | -0.041 | -0.010 | 22.821 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 224 | GLU | -1 | -0.935 | -0.987 | 24.519 | -12.341 | -12.341 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 225 | ASP | -1 | -0.899 | -0.942 | 26.555 | -10.215 | -10.215 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 226 | GLY | 0 | -0.033 | -0.021 | 29.394 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 227 | TRP | 0 | -0.002 | -0.001 | 30.910 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 228 | VAL | 0 | 0.008 | 0.025 | 28.130 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 229 | THR | 0 | 0.012 | 0.019 | 28.096 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 230 | VAL | 0 | -0.004 | 0.009 | 23.904 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 231 | GLN | 0 | 0.012 | -0.001 | 26.923 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 232 | ASP | -1 | -0.710 | -0.835 | 28.604 | -9.961 | -9.961 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 233 | ALA | 0 | 0.064 | 0.026 | 30.003 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 234 | SER | 0 | 0.013 | 0.002 | 33.239 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 235 | ALA | 0 | 0.003 | 0.024 | 32.074 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 236 | GLN | 0 | -0.023 | -0.023 | 32.221 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 237 | GLY | 0 | 0.018 | 0.011 | 35.664 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 238 | CYS | 0 | -0.046 | -0.017 | 36.547 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 239 | MET | 0 | -0.015 | 0.016 | 37.577 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 240 | THR | 0 | -0.005 | 0.007 | 40.962 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 241 | TRP | 0 | 0.000 | 0.008 | 41.768 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 242 | LEU | 0 | -0.005 | -0.004 | 40.701 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 243 | ALA | 0 | -0.049 | -0.025 | 43.965 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 244 | PRO | 0 | 0.002 | 0.004 | 42.399 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 245 | GLN | 0 | 0.009 | 0.000 | 45.379 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 246 | ASN | 0 | 0.000 | 0.003 | 46.488 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 247 | GLY | 0 | 0.020 | -0.003 | 47.510 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 248 | GLU | -1 | -0.837 | -0.913 | 47.261 | -6.608 | -6.608 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 249 | HIS | 0 | -0.058 | -0.021 | 45.814 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 250 | ILE | 0 | -0.005 | -0.006 | 41.681 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 251 | LEU | 0 | -0.001 | 0.000 | 39.484 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 252 | ASP | -1 | -0.800 | -0.880 | 35.102 | -8.989 | -8.989 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 253 | LEU | 0 | 0.017 | -0.025 | 36.490 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 254 | CYS | 0 | -0.043 | -0.007 | 32.660 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 255 | ALA | 0 | 0.022 | 0.017 | 32.387 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 256 | ALA | 0 | -0.039 | 0.034 | 26.766 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 257 | PRO | 0 | -0.066 | -0.064 | 25.069 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 258 | GLY | 0 | 0.067 | 0.015 | 27.036 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 259 | GLY | 0 | -0.024 | -0.005 | 29.674 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 260 | LYS | 1 | 0.895 | 0.923 | 30.773 | 9.569 | 9.569 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 261 | THR | 0 | -0.021 | -0.041 | 33.369 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 262 | THR | 0 | 0.014 | 0.003 | 32.062 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 263 | HIS | 0 | -0.036 | -0.002 | 34.913 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 264 | ILE | 0 | 0.045 | -0.002 | 36.530 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 265 | LEU | 0 | -0.010 | -0.007 | 37.136 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 266 | GLU | -1 | -0.839 | -0.898 | 34.880 | -9.008 | -9.008 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 267 | VAL | 0 | -0.095 | -0.048 | 39.384 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 268 | ALA | 0 | -0.040 | -0.024 | 42.312 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 269 | PRO | 0 | 0.011 | 0.002 | 41.933 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 270 | GLU | -1 | -0.927 | -0.972 | 42.998 | -6.637 | -6.637 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 271 | ALA | 0 | 0.014 | 0.042 | 42.937 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 272 | GLN | 0 | -0.046 | -0.027 | 43.099 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 273 | VAL | 0 | 0.007 | 0.001 | 38.432 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 274 | VAL | 0 | -0.056 | -0.015 | 39.207 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 275 | ALA | 0 | 0.017 | 0.003 | 34.099 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 276 | VAL | 0 | 0.000 | -0.006 | 34.803 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 277 | ASP | -1 | -0.813 | -0.927 | 30.030 | -10.424 | -10.424 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 278 | ILE | 0 | -0.031 | -0.006 | 29.746 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 279 | DAS | -1 | -0.791 | -0.865 | 26.058 | -12.083 | -12.083 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 280 | GLU | -1 | -0.841 | -0.933 | 27.046 | -10.520 | -10.520 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 281 | GLN | 0 | -0.105 | -0.071 | 21.430 | -1.115 | -1.115 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 282 | ARG | 1 | 0.804 | 0.875 | 23.561 | 11.306 | 11.306 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 283 | LEU | 0 | 0.095 | 0.041 | 25.837 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 284 | SER | 0 | -0.047 | -0.020 | 22.884 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 285 | ARG | 1 | 0.963 | 0.992 | 21.459 | 13.575 | 13.575 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 286 | VAL | 0 | 0.042 | 0.020 | 25.173 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 287 | TYR | 0 | 0.007 | 0.001 | 27.782 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 288 | ASP | -1 | -0.940 | -0.975 | 24.241 | -13.012 | -13.012 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 289 | ASN | 0 | -0.013 | -0.013 | 26.660 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 290 | LEU | 0 | 0.016 | 0.013 | 28.743 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 291 | LYS | 1 | 0.881 | 0.957 | 25.854 | 12.039 | 12.039 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 292 | ARG | 1 | 0.805 | 0.889 | 25.651 | 11.655 | 11.655 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 293 | LEU | 0 | -0.008 | 0.000 | 29.180 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 294 | GLY | 0 | -0.013 | 0.017 | 32.512 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 295 | MET | 0 | -0.050 | -0.001 | 34.288 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 296 | LYS | 1 | 0.904 | 0.944 | 35.342 | 8.280 | 8.280 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 297 | ALA | 0 | 0.072 | 0.024 | 36.798 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 298 | THR | 0 | -0.127 | -0.058 | 37.097 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 299 | VAL | 0 | 0.047 | 0.039 | 31.844 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 300 | LYS | 1 | 0.899 | 0.947 | 35.287 | 7.812 | 7.812 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 301 | GLN | 0 | 0.025 | 0.031 | 32.274 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 302 | GLY | 0 | 0.017 | -0.022 | 34.028 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 303 | ASP | -1 | -0.794 | -0.884 | 34.807 | -8.892 | -8.892 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 304 | GLY | 0 | 0.026 | 0.006 | 36.671 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 305 | ARG | 1 | 0.869 | 0.925 | 36.062 | 8.614 | 8.614 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 306 | TYR | 0 | -0.044 | -0.022 | 38.515 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 307 | PRO | 0 | 0.068 | 0.036 | 41.843 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 308 | SER | 0 | 0.009 | 0.009 | 42.844 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 309 | GLN | 0 | -0.055 | -0.033 | 39.908 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 310 | TRP | 0 | 0.027 | 0.016 | 39.163 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 311 | CYS | 0 | -0.107 | -0.050 | 41.265 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 312 | GLY | 0 | 0.040 | 0.039 | 44.157 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 313 | DGL | -1 | -0.922 | -0.979 | 47.218 | -6.511 | -6.511 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 314 | GLN | 0 | -0.062 | -0.033 | 45.684 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 315 | GLN | 0 | 0.026 | 0.002 | 48.180 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 316 | PHE | 0 | -0.041 | -0.025 | 43.577 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 317 | ASP | -1 | -0.784 | -0.884 | 47.734 | -6.271 | -6.271 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 318 | ARG | 1 | 0.842 | 0.927 | 45.128 | 6.722 | 6.722 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 319 | ILE | 0 | -0.006 | 0.001 | 41.868 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 320 | LEU | 0 | -0.021 | 0.009 | 37.400 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 321 | LEU | 0 | 0.003 | -0.007 | 37.206 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 322 | ASP | -1 | -0.862 | -0.913 | 32.800 | -9.458 | -9.458 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 323 | ALA | 0 | 0.010 | 0.002 | 34.271 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 324 | PRO | 0 | 0.014 | 0.017 | 32.261 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 325 | CYS | 0 | -0.010 | 0.014 | 31.707 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 326 | SER | 0 | -0.097 | -0.090 | 30.936 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 327 | ALA | 0 | 0.021 | -0.010 | 27.974 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 328 | THR | 0 | -0.005 | -0.019 | 28.975 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 329 | GLY | 0 | -0.013 | 0.009 | 30.930 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 330 | VAL | 0 | 0.025 | 0.009 | 26.542 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 331 | ILE | 0 | -0.005 | 0.000 | 25.818 | -0.563 | -0.563 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 332 | ARG | 1 | 0.813 | 0.907 | 24.686 | 9.972 | 9.972 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 333 | ARG | 1 | 0.684 | 0.831 | 22.821 | 11.222 | 11.222 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 334 | HIS | 0 | -0.025 | -0.008 | 21.045 | -1.279 | -1.279 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 335 | PRO | 0 | 0.041 | 0.020 | 19.620 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 336 | ASP | -1 | -0.812 | -0.926 | 19.264 | -14.449 | -14.449 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 337 | ILE | 0 | 0.032 | 0.029 | 21.357 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 338 | LYS | 1 | 0.779 | 0.879 | 24.478 | 12.329 | 12.329 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 339 | TRP | 0 | -0.062 | -0.050 | 21.792 | 0.514 | 0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 340 | LEU | 0 | -0.048 | 0.001 | 20.995 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 341 | ARG | 1 | 0.856 | 0.950 | 24.744 | 11.345 | 11.345 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 342 | ARG | 1 | 0.842 | 0.881 | 28.436 | 9.979 | 9.979 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 343 | ASP | -1 | -0.813 | -0.914 | 31.147 | -8.159 | -8.159 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 344 | ARG | 1 | 0.934 | 0.956 | 32.951 | 9.064 | 9.064 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 345 | ASP | -1 | -0.682 | -0.812 | 30.411 | -9.890 | -9.890 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 346 | ILE | 0 | -0.033 | -0.003 | 33.811 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 347 | PRO | 0 | 0.003 | -0.008 | 36.403 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 348 | GLU | -1 | -0.926 | -0.952 | 34.669 | -8.668 | -8.668 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 349 | LEU | 0 | -0.035 | -0.019 | 32.127 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 350 | ALA | 0 | 0.023 | 0.020 | 36.378 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 351 | GLN | 0 | 0.010 | 0.010 | 39.842 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 352 | LEU | 0 | 0.035 | 0.026 | 34.918 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 353 | GLN | 0 | -0.020 | -0.041 | 35.942 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 354 | SER | 0 | 0.016 | 0.011 | 39.783 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 355 | GLU | -1 | -0.912 | -0.959 | 41.105 | -7.536 | -7.536 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 356 | ILE | 0 | -0.059 | -0.038 | 37.970 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 357 | LEU | 0 | -0.011 | -0.012 | 41.443 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 358 | ASP | -1 | -0.834 | -0.903 | 43.946 | -6.530 | -6.530 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 359 | ALA | 0 | -0.038 | -0.010 | 43.330 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 360 | ILE | 0 | -0.029 | -0.035 | 42.248 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 361 | TRP | 0 | -0.003 | 0.000 | 44.811 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 362 | PRO | 0 | -0.012 | 0.006 | 47.603 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 363 | HIS | 1 | 0.853 | 0.929 | 46.176 | 6.901 | 6.901 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 364 | LEU | 0 | -0.005 | 0.017 | 47.241 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 365 | LYS | 1 | 0.891 | 0.960 | 49.204 | 6.344 | 6.344 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 366 | THR | 0 | -0.023 | -0.048 | 52.277 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 367 | GLY | 0 | 0.000 | 0.009 | 54.935 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 368 | GLY | 0 | 0.004 | 0.019 | 50.627 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 369 | THR | 0 | -0.024 | -0.032 | 46.584 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 370 | LEU | 0 | 0.010 | 0.016 | 44.061 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 371 | VAL | 0 | -0.021 | -0.022 | 40.839 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 372 | TYR | 0 | -0.032 | -0.026 | 39.918 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 373 | ALA | 0 | 0.008 | -0.008 | 37.038 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 374 | THR | 0 | 0.019 | -0.005 | 35.213 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 375 | CYS | 0 | 0.014 | 0.009 | 29.748 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 376 | SER | 0 | 0.006 | -0.024 | 32.042 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 377 | VAL | 0 | 0.034 | 0.013 | 34.387 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 378 | LEU | 0 | -0.043 | -0.009 | 35.148 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 379 | PRO | 0 | 0.074 | 0.027 | 38.339 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 380 | GLU | -1 | -0.928 | -0.984 | 40.503 | -7.466 | -7.466 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 381 | GLU | -1 | -0.700 | -0.776 | 35.341 | -8.924 | -8.924 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 382 | ASN | 0 | 0.005 | 0.019 | 37.765 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 383 | SER | 0 | 0.050 | 0.030 | 41.460 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 384 | LEU | 0 | -0.034 | -0.028 | 44.642 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 385 | GLN | 0 | -0.066 | -0.024 | 40.951 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 386 | ILE | 0 | 0.032 | 0.007 | 43.981 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 387 | LYS | 1 | 0.874 | 0.939 | 46.604 | 6.164 | 6.164 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 388 | ALA | 0 | 0.008 | 0.005 | 47.580 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 389 | PHE | 0 | -0.001 | -0.016 | 47.382 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 390 | LEU | 0 | 0.018 | 0.013 | 49.142 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 391 | GLN | 0 | -0.070 | -0.023 | 52.088 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 392 | ARG | 1 | 0.765 | 0.882 | 46.230 | 6.738 | 6.738 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 393 | THR | 0 | -0.030 | -0.006 | 51.099 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 394 | ALA | 0 | 0.010 | -0.003 | 53.681 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 395 | ASP | -1 | -0.881 | -0.933 | 54.633 | -5.840 | -5.840 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 396 | ALA | 0 | 0.002 | -0.003 | 51.652 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 397 | GLU | -1 | -0.893 | -0.935 | 53.075 | -5.653 | -5.653 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 398 | LEU | 0 | -0.076 | -0.032 | 48.524 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 399 | CYS | 0 | -0.010 | -0.007 | 50.307 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 400 | DGL | -1 | -0.887 | -0.935 | 49.704 | -6.059 | -6.059 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 401 | THR | 0 | -0.076 | -0.018 | 45.189 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 402 | GLY | 0 | 0.040 | 0.031 | 47.962 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 403 | THR | 0 | -0.005 | -0.010 | 49.469 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 404 | PRO | 0 | 0.111 | 0.031 | 51.595 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 405 | GLU | -1 | -0.982 | -0.986 | 53.263 | -5.781 | -5.781 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 406 | GLN | 0 | -0.043 | -0.019 | 49.004 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 407 | PRO | 0 | 0.020 | 0.023 | 47.504 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 408 | GLY | 0 | 0.044 | -0.013 | 44.929 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 409 | LYS | 1 | 0.919 | 0.963 | 41.730 | 7.609 | 7.609 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 410 | GLN | 0 | -0.025 | -0.015 | 37.638 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 411 | ASN | 0 | -0.005 | 0.002 | 36.927 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 412 | LEU | 0 | 0.012 | -0.013 | 36.452 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 413 | PRO | 0 | -0.021 | 0.011 | 31.856 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 414 | GLY | 0 | 0.081 | 0.017 | 33.299 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 415 | ALA | 0 | -0.010 | 0.000 | 31.449 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 416 | GLU | -1 | -0.985 | -0.994 | 32.054 | -8.944 | -8.944 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 417 | GLU | -1 | -0.836 | -0.912 | 33.752 | -8.086 | -8.086 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 418 | GLY | 0 | 0.020 | 0.023 | 32.455 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 419 | ASP | -1 | -0.865 | -0.950 | 28.925 | -10.911 | -10.911 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 420 | GLY | 0 | -0.020 | 0.005 | 31.727 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 421 | PHE | 0 | 0.004 | -0.025 | 32.756 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 422 | PHE | 0 | -0.004 | 0.021 | 35.699 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 423 | TYR | 0 | -0.030 | -0.051 | 37.439 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 424 | ALA | 0 | 0.050 | 0.019 | 41.424 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 425 | LYS | 1 | 0.877 | 0.938 | 44.376 | 6.518 | 6.518 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 426 | LEU | 0 | -0.007 | -0.004 | 45.958 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 427 | ILE | 0 | -0.018 | -0.001 | 49.101 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 428 | LYS | 1 | 0.848 | 0.941 | 51.661 | 6.228 | 6.228 | 0.000 | 0.000 | 0.000 | 0.000 |