FMODB ID: R5RZ8
Calculation Name: 4JG5-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4JG5
Chain ID: A
UniProt ID: A6LHQ6
Base Structure: X-ray
Registration Date: 2023-06-20
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 | 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 | 336 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4860881.137034 |
---|---|
FMO2-HF: Nuclear repulsion | 4731615.934347 |
FMO2-HF: Total energy | -129265.202687 |
FMO2-MP2: Total energy | -129645.988337 |
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:29:PRO)
Summations of interaction energy for
fragment #1(A:29:PRO)
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. |
-7.763 | -4.436 | 0.247 | -1.287 | -2.285 | -0.002 |
Interaction energy analysis for fragmet #1(A:29:PRO)
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 | 31 | GLU | -1 | -0.906 | -0.965 | 2.787 | -5.832 | -2.597 | 0.247 | -1.265 | -2.216 | -0.002 |
4 | A | 32 | GLY | 0 | -0.022 | -0.007 | 4.343 | 0.455 | 0.547 | 0.000 | -0.022 | -0.069 | 0.000 |
5 | A | 33 | ALA | 0 | 0.006 | 0.023 | 7.317 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 34 | LYS | 1 | 0.803 | 0.899 | 8.883 | 0.744 | 0.744 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 35 | LEU | 0 | -0.007 | 0.003 | 11.470 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 36 | SER | 0 | -0.016 | 0.012 | 15.087 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 37 | VAL | 0 | -0.001 | -0.012 | 18.187 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 38 | ALA | 0 | 0.015 | 0.025 | 21.357 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 39 | VAL | 0 | -0.015 | -0.015 | 24.696 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 40 | LYS | 1 | 0.882 | 0.917 | 27.369 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 41 | ALA | 0 | 0.034 | 0.029 | 31.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 42 | SER | 0 | -0.068 | -0.044 | 33.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 43 | GLY | 0 | 0.026 | 0.031 | 35.665 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 44 | THR | 0 | 0.004 | -0.018 | 39.268 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 45 | ALA | 0 | 0.068 | 0.046 | 39.785 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 46 | THR | 0 | 0.002 | -0.017 | 40.684 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 47 | LYS | 1 | 0.886 | 0.956 | 37.144 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 48 | ALA | 0 | 0.011 | 0.000 | 41.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 49 | TYR | 0 | 0.003 | 0.001 | 45.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 50 | ASN | 0 | 0.021 | -0.014 | 47.301 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 51 | PRO | 0 | 0.014 | 0.002 | 48.353 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 52 | ASN | 0 | -0.037 | 0.012 | 50.281 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 53 | ASP | -1 | -0.776 | -0.891 | 45.813 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 54 | VAL | 0 | -0.054 | -0.008 | 45.476 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 55 | ASN | 0 | -0.044 | -0.007 | 45.129 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 56 | GLU | -1 | -0.805 | -0.889 | 39.212 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 57 | LEU | 0 | -0.029 | -0.008 | 42.957 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 58 | GLU | -1 | -0.853 | -0.909 | 41.088 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 59 | GLY | 0 | 0.073 | 0.032 | 38.428 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 60 | GLU | -1 | -0.697 | -0.808 | 37.216 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 61 | ALA | 0 | 0.003 | 0.008 | 35.396 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 62 | TYR | 0 | -0.074 | -0.044 | 33.908 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 63 | ILE | 0 | -0.033 | -0.006 | 27.755 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 64 | ASN | 0 | -0.015 | -0.024 | 29.119 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 65 | ASN | 0 | -0.055 | -0.026 | 24.551 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 66 | LEU | 0 | 0.046 | 0.036 | 22.998 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 67 | ALA | 0 | -0.012 | -0.018 | 20.529 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 68 | VAL | 0 | 0.007 | 0.013 | 17.286 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 69 | VAL | 0 | 0.009 | 0.004 | 16.807 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 70 | VAL | 0 | 0.019 | 0.010 | 14.042 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 71 | PHE | 0 | 0.038 | 0.019 | 14.272 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 72 | ASN | 0 | 0.076 | 0.016 | 14.358 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 73 | GLU | -1 | -0.825 | -0.889 | 15.865 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 74 | THR | 0 | -0.040 | -0.042 | 19.194 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 75 | GLY | 0 | 0.021 | 0.003 | 19.181 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 76 | THR | 0 | -0.027 | 0.004 | 17.807 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 77 | GLU | -1 | -0.799 | -0.885 | 10.622 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 78 | LEU | 0 | 0.000 | 0.003 | 12.732 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 79 | LEU | 0 | -0.027 | -0.004 | 10.157 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 80 | GLY | 0 | 0.039 | 0.029 | 9.543 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 81 | TYR | 0 | -0.010 | -0.011 | 11.636 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 82 | LYS | 1 | 0.816 | 0.902 | 13.407 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 83 | TRP | 0 | -0.017 | -0.009 | 16.007 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 84 | GLU | -1 | -0.814 | -0.914 | 18.922 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 85 | ALA | 0 | 0.000 | 0.006 | 21.156 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 86 | LEU | 0 | -0.003 | 0.007 | 23.976 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 87 | SER | 0 | -0.038 | -0.043 | 26.884 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 88 | GLY | 0 | -0.015 | -0.002 | 30.387 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 89 | ALA | 0 | -0.007 | 0.018 | 29.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 90 | GLU | -1 | -0.825 | -0.932 | 31.467 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 91 | HIS | 0 | -0.040 | -0.008 | 33.687 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 92 | SER | 0 | -0.056 | -0.041 | 30.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 93 | ALA | 0 | -0.026 | 0.002 | 26.858 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 94 | ILE | 0 | 0.018 | -0.002 | 21.903 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 95 | ILE | 0 | -0.037 | 0.005 | 18.610 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 96 | ALA | 0 | 0.031 | 0.010 | 18.106 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 97 | ASP | -1 | -0.823 | -0.913 | 13.034 | -0.640 | -0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 98 | VAL | 0 | -0.014 | -0.004 | 12.861 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 99 | PRO | 0 | 0.020 | 0.010 | 8.022 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 100 | THR | 0 | -0.046 | -0.035 | 9.227 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 101 | THR | 0 | 0.003 | -0.019 | 5.455 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 102 | LYS | 1 | 0.780 | 0.879 | 6.080 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 103 | ALA | 0 | 0.063 | 0.049 | 8.769 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 104 | VAL | 0 | -0.029 | -0.019 | 12.017 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 105 | ARG | 1 | 0.776 | 0.875 | 14.344 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 106 | ALA | 0 | 0.004 | 0.005 | 15.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 107 | ARG | 1 | 0.819 | 0.911 | 17.363 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 108 | ILE | 0 | 0.030 | 0.024 | 17.651 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 109 | ILE | 0 | -0.021 | -0.007 | 19.764 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 110 | VAL | 0 | 0.028 | 0.018 | 21.018 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 111 | LEU | 0 | -0.017 | -0.017 | 23.020 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 112 | ALA | 0 | 0.052 | 0.022 | 24.770 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 113 | ASN | 0 | -0.041 | -0.031 | 27.282 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 114 | VAL | 0 | 0.017 | 0.017 | 24.267 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 115 | PRO | 0 | 0.017 | -0.004 | 25.748 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 116 | ARG | 1 | 0.876 | 0.924 | 21.005 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 117 | ASP | -1 | -0.832 | -0.902 | 20.800 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 118 | LEU | 0 | -0.026 | 0.006 | 21.241 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 119 | LEU | 0 | 0.048 | 0.010 | 18.049 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 120 | SER | 0 | -0.073 | -0.037 | 16.532 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 121 | THR | 0 | -0.011 | 0.002 | 17.204 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 122 | VAL | 0 | -0.032 | 0.014 | 17.794 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 123 | SER | 0 | -0.066 | -0.049 | 17.022 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 124 | THR | 0 | -0.022 | -0.022 | 16.852 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 125 | TYR | 0 | -0.040 | -0.045 | 19.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 126 | ASP | -1 | -0.858 | -0.937 | 21.284 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 127 | GLU | -1 | -0.779 | -0.846 | 21.586 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 128 | PHE | 0 | 0.022 | 0.013 | 21.469 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 129 | GLN | 0 | -0.023 | -0.023 | 23.572 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 130 | THR | 0 | -0.101 | -0.055 | 26.697 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 131 | ARG | 1 | 0.745 | 0.852 | 21.894 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 132 | LEU | 0 | 0.008 | -0.005 | 28.100 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 133 | VAL | 0 | -0.017 | -0.005 | 30.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 134 | ASP | -1 | -0.772 | -0.865 | 32.466 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 135 | LEU | 0 | 0.025 | 0.016 | 35.810 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 136 | SER | 0 | -0.049 | -0.042 | 37.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 137 | SER | 0 | -0.072 | -0.038 | 33.348 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 138 | GLN | 0 | -0.030 | -0.023 | 33.313 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 139 | SER | 0 | 0.003 | -0.010 | 37.261 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 140 | GLN | 0 | -0.003 | -0.012 | 38.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 141 | THR | 0 | 0.027 | 0.018 | 37.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 142 | ASN | 0 | -0.046 | -0.020 | 32.284 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 143 | LEU | 0 | 0.013 | 0.030 | 34.408 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 144 | THR | 0 | -0.016 | -0.008 | 29.553 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 145 | MET | 0 | -0.045 | -0.017 | 30.170 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 146 | SER | 0 | -0.013 | -0.034 | 27.784 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 147 | SER | 0 | 0.007 | 0.004 | 25.684 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 148 | GLN | 0 | -0.068 | -0.030 | 27.302 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 149 | VAL | 0 | -0.020 | 0.012 | 23.347 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 150 | ILE | 0 | 0.003 | 0.004 | 22.731 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 151 | VAL | 0 | -0.007 | 0.001 | 21.833 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 152 | THR | 0 | -0.012 | -0.005 | 19.036 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 153 | LYS | 1 | 0.792 | 0.874 | 21.799 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 154 | SER | 0 | 0.006 | -0.024 | 21.105 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 155 | ALA | 0 | -0.070 | -0.030 | 16.337 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 156 | LEU | 0 | -0.002 | 0.002 | 13.755 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 157 | SER | 0 | -0.009 | -0.027 | 14.367 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 158 | GLU | -1 | -0.962 | -1.004 | 9.579 | -1.153 | -1.153 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 159 | GLU | -1 | -0.943 | -0.963 | 10.115 | -0.939 | -0.939 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 160 | ASP | -1 | -0.883 | -0.919 | 12.514 | -0.652 | -0.652 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 161 | ASN | 0 | -0.011 | 0.018 | 13.383 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 162 | TYR | 0 | -0.032 | -0.051 | 16.664 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 163 | LEU | 0 | 0.004 | 0.001 | 19.949 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 164 | GLY | 0 | 0.040 | 0.023 | 22.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 165 | TYR | 0 | 0.007 | -0.006 | 21.763 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 166 | THR | 0 | 0.008 | -0.011 | 26.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 167 | ASP | -1 | -0.957 | -0.974 | 28.659 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 168 | LEU | 0 | -0.031 | -0.008 | 23.097 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 169 | GLY | 0 | -0.015 | -0.010 | 27.108 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 170 | ASP | -1 | -0.946 | -0.985 | 27.255 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 171 | GLN | 0 | -0.029 | -0.008 | 23.445 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 172 | ASN | 0 | -0.067 | -0.026 | 22.382 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 173 | VAL | 0 | 0.047 | 0.006 | 18.810 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 174 | ASP | -1 | -0.772 | -0.860 | 22.017 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 175 | GLY | 0 | 0.063 | 0.046 | 25.108 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 176 | ILE | 0 | -0.069 | -0.029 | 24.707 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 177 | SER | 0 | 0.012 | -0.019 | 26.192 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 178 | ASP | -1 | -0.894 | -0.914 | 28.499 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 179 | PRO | 0 | -0.067 | -0.036 | 27.729 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 180 | ILE | 0 | 0.006 | 0.004 | 24.196 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 181 | LEU | 0 | -0.001 | 0.001 | 27.571 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 182 | LEU | 0 | -0.022 | -0.011 | 26.349 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 183 | THR | 0 | 0.010 | -0.013 | 30.417 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 184 | ARG | 1 | 0.794 | 0.889 | 32.774 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 185 | VAL | 0 | -0.002 | 0.002 | 31.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 186 | ALA | 0 | 0.024 | 0.013 | 35.050 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 187 | ALA | 0 | -0.017 | -0.002 | 38.245 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 188 | ARG | 1 | 0.744 | 0.827 | 41.736 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 189 | ILE | 0 | -0.021 | -0.006 | 44.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 190 | ASP | -1 | -0.734 | -0.840 | 48.279 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 191 | LEU | 0 | -0.015 | -0.011 | 50.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 192 | VAL | 0 | -0.006 | -0.008 | 53.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 193 | ASN | 0 | -0.062 | -0.033 | 56.186 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 194 | ILE | 0 | 0.055 | 0.031 | 59.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 195 | SER | 0 | -0.030 | -0.021 | 62.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 196 | THR | 0 | -0.023 | -0.039 | 65.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 197 | ARG | 1 | 0.849 | 0.921 | 65.410 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 198 | PHE | 0 | 0.042 | 0.015 | 70.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 199 | ALA | 0 | -0.013 | -0.005 | 74.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 200 | GLY | 0 | -0.029 | -0.014 | 77.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 201 | THR | 0 | -0.009 | -0.007 | 75.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 202 | PRO | 0 | -0.017 | -0.029 | 78.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 203 | PHE | 0 | -0.002 | 0.012 | 75.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 204 | ALA | 0 | -0.031 | -0.005 | 77.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 205 | GLY | 0 | -0.020 | -0.009 | 77.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 206 | ARG | 1 | 0.788 | 0.889 | 75.744 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 207 | GLU | -1 | -0.846 | -0.912 | 71.850 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 208 | VAL | 0 | -0.015 | -0.013 | 66.862 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 209 | ARG | 1 | 0.820 | 0.900 | 66.263 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 210 | ILE | 0 | 0.005 | -0.005 | 60.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 211 | ASP | -1 | -0.796 | -0.871 | 63.063 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 212 | ALA | 0 | 0.004 | -0.008 | 57.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 213 | VAL | 0 | -0.027 | -0.007 | 54.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 214 | GLY | 0 | 0.074 | 0.035 | 52.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 215 | ILE | 0 | -0.035 | -0.012 | 48.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 216 | TYR | 0 | 0.020 | -0.006 | 50.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 217 | ASN | 0 | 0.040 | -0.003 | 49.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 218 | MET | 0 | 0.000 | 0.032 | 44.893 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 219 | LYS | 1 | 0.844 | 0.931 | 40.961 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 220 | THR | 0 | 0.010 | -0.002 | 40.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 221 | LYS | 1 | 0.838 | 0.920 | 36.003 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 222 | SER | 0 | 0.017 | 0.001 | 33.943 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 223 | TYR | 0 | 0.028 | 0.018 | 30.688 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 224 | TYR | 0 | 0.022 | 0.005 | 27.484 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 225 | PHE | 0 | -0.002 | 0.013 | 25.197 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 226 | SER | 0 | 0.041 | 0.019 | 29.075 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 227 | GLU | -1 | -0.824 | -0.892 | 27.062 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 228 | ALA | 0 | 0.022 | 0.019 | 29.219 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 229 | ASP | -1 | -0.772 | -0.886 | 31.945 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 230 | TRP | 0 | -0.101 | -0.043 | 32.865 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 231 | GLY | 0 | -0.007 | 0.014 | 34.228 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 232 | GLU | -1 | -0.841 | -0.915 | 35.192 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 233 | THR | 0 | -0.049 | -0.031 | 32.556 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 234 | GLU | -1 | -0.766 | -0.869 | 35.029 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 235 | ALA | 0 | 0.012 | 0.021 | 36.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 236 | PRO | 0 | 0.003 | -0.007 | 36.313 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 237 | ASP | -1 | -0.900 | -0.961 | 37.317 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 238 | ALA | 0 | 0.011 | 0.008 | 40.273 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 239 | VAL | 0 | -0.046 | 0.003 | 43.436 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 240 | ARG | 1 | 0.875 | 0.928 | 41.813 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 241 | ASN | 0 | 0.040 | 0.024 | 47.107 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 242 | SER | 0 | -0.041 | -0.032 | 48.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 243 | GLU | -1 | -0.936 | -0.962 | 48.809 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 244 | ASP | -1 | -0.935 | -0.960 | 51.075 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 245 | THR | 0 | -0.030 | -0.019 | 52.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 246 | SER | 0 | -0.022 | -0.022 | 54.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 247 | PHE | 0 | -0.020 | -0.018 | 55.912 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 248 | GLU | -1 | -0.945 | -0.956 | 60.105 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 249 | ASP | -1 | -0.927 | -0.970 | 63.585 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 250 | LEU | 0 | -0.050 | -0.010 | 59.996 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 251 | LEU | 0 | -0.036 | -0.018 | 64.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 252 | VAL | 0 | -0.030 | -0.008 | 65.414 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 253 | ASN | 0 | -0.015 | -0.015 | 67.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 254 | ASP | -1 | -0.762 | -0.850 | 69.458 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 255 | GLY | 0 | -0.012 | -0.010 | 69.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 256 | THR | 0 | -0.055 | -0.014 | 64.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 257 | SER | 0 | 0.000 | -0.010 | 64.001 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 258 | ILE | 0 | 0.007 | 0.004 | 59.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 259 | SER | 0 | -0.013 | -0.016 | 59.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 260 | ASN | 0 | -0.024 | -0.014 | 56.845 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 261 | THR | 0 | -0.012 | 0.000 | 52.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 262 | PRO | 0 | -0.022 | -0.006 | 53.975 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 263 | PHE | 0 | 0.014 | 0.012 | 50.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 264 | VAL | 0 | 0.022 | 0.014 | 46.954 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 265 | HIS | 0 | -0.031 | -0.019 | 45.811 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 266 | TYR | 0 | -0.010 | -0.030 | 41.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 267 | VAL | 0 | -0.010 | -0.015 | 42.523 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 268 | MET | 0 | -0.018 | 0.004 | 35.461 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 269 | GLU | -1 | -0.755 | -0.866 | 38.408 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 270 | ASN | 0 | -0.053 | -0.037 | 40.829 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 271 | MET | 0 | -0.057 | -0.032 | 43.348 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 272 | LYS | 1 | 0.804 | 0.873 | 38.419 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 273 | SER | 0 | -0.039 | -0.038 | 44.521 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 274 | ASP | -1 | -0.924 | -0.964 | 45.949 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 275 | ASP | -1 | -0.883 | -0.909 | 47.479 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 276 | HIS | 1 | 0.893 | 0.949 | 48.474 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 277 | THR | 0 | -0.017 | -0.019 | 47.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 278 | MET | 0 | -0.039 | -0.016 | 49.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 279 | ILE | 0 | -0.012 | 0.010 | 52.271 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 280 | ALA | 0 | 0.024 | 0.005 | 54.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 281 | VAL | 0 | 0.013 | -0.005 | 56.536 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 282 | LYS | 1 | 0.946 | 1.008 | 59.448 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 283 | ALA | 0 | 0.020 | 0.005 | 61.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 284 | THR | 0 | -0.021 | -0.020 | 64.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 285 | LEU | 0 | -0.013 | 0.027 | 68.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 286 | ARG | 1 | 0.907 | 0.935 | 71.238 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 287 | GLY | 0 | 0.007 | 0.014 | 74.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 288 | ASN | 0 | 0.008 | -0.004 | 77.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 289 | SER | 0 | -0.071 | -0.035 | 80.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 290 | SER | 0 | 0.013 | 0.017 | 83.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 291 | TYR | 0 | -0.033 | -0.030 | 79.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 292 | GLN | 0 | -0.043 | -0.031 | 77.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 293 | ASP | -1 | -0.772 | -0.874 | 72.534 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 294 | HIS | 0 | -0.012 | 0.002 | 72.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 295 | THR | 0 | -0.030 | -0.041 | 66.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 296 | LYS | 1 | 0.820 | 0.901 | 66.171 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 297 | ILE | 0 | -0.010 | -0.006 | 59.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 298 | PHE | 0 | 0.018 | 0.011 | 62.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 299 | THR | 0 | -0.025 | -0.029 | 57.427 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 300 | ALA | 0 | 0.035 | 0.018 | 57.083 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 301 | VAL | 0 | -0.020 | -0.006 | 52.449 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 302 | ILE | 0 | 0.030 | 0.011 | 50.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 303 | ASN | 0 | -0.022 | -0.032 | 48.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 304 | ALA | 0 | 0.013 | 0.010 | 51.914 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 305 | GLY | 0 | 0.030 | 0.019 | 53.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 306 | GLY | 0 | 0.025 | 0.019 | 51.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 307 | LEU | 0 | -0.021 | -0.016 | 48.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 308 | GLN | 0 | -0.086 | -0.045 | 52.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 309 | ASN | 0 | -0.049 | -0.021 | 54.487 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 310 | GLY | 0 | -0.007 | 0.011 | 53.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 311 | TYR | 0 | -0.059 | -0.027 | 49.017 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 312 | ASP | -1 | -0.811 | -0.869 | 44.237 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 313 | HIS | 0 | -0.014 | -0.002 | 45.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 314 | ASN | 0 | 0.028 | 0.023 | 47.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 315 | PHE | 0 | -0.019 | -0.018 | 47.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 316 | ILE | 0 | 0.032 | 0.021 | 43.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 317 | ARG | 1 | 0.906 | 0.926 | 38.682 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 318 | ARG | 1 | 0.802 | 0.882 | 31.776 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 319 | ASN | 0 | -0.039 | -0.050 | 37.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 320 | TYR | 0 | -0.058 | -0.042 | 39.354 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 321 | VAL | 0 | -0.001 | 0.003 | 43.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 322 | TYR | 0 | -0.016 | -0.033 | 44.906 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 323 | ARG | 1 | 0.826 | 0.899 | 49.334 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 324 | LEU | 0 | 0.000 | -0.009 | 52.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 325 | ARG | 1 | 0.905 | 0.951 | 55.057 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 326 | ILE | 0 | 0.036 | 0.019 | 57.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 327 | TYR | 0 | -0.057 | -0.040 | 61.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 328 | PHE | 0 | 0.059 | 0.040 | 63.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 329 | ASP | -1 | -0.851 | -0.934 | 67.607 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 330 | GLY | 0 | 0.000 | -0.011 | 70.882 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 331 | GLU | -1 | -0.927 | -0.961 | 71.176 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 332 | SER | 0 | -0.029 | -0.020 | 68.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 333 | PHE | 0 | -0.023 | -0.018 | 67.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 334 | ASP | -1 | -0.834 | -0.910 | 72.219 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 335 | ASN | 0 | -0.065 | -0.046 | 75.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 336 | ILE | 0 | 0.020 | 0.011 | 74.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 337 | PRO | 0 | 0.014 | 0.003 | 79.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 338 | VAL | 0 | 0.007 | 0.011 | 81.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 339 | THR | 0 | -0.013 | -0.001 | 81.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 340 | PRO | 0 | -0.034 | -0.008 | 83.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 348 | PRO | 0 | -0.020 | -0.027 | 69.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 349 | GLU | -1 | -0.951 | -0.976 | 64.965 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 350 | PRO | 0 | -0.051 | -0.031 | 64.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 351 | GLU | -1 | -0.866 | -0.930 | 64.780 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 352 | VAL | 0 | -0.029 | -0.006 | 60.436 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 353 | ASP | -1 | -0.815 | -0.891 | 63.130 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 354 | THR | 0 | -0.018 | -0.008 | 59.949 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 355 | ASN | 0 | -0.076 | -0.046 | 60.969 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 356 | LEU | 0 | 0.006 | 0.023 | 59.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 357 | ASN | 0 | 0.058 | 0.035 | 61.639 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 358 | ILE | 0 | 0.011 | -0.002 | 56.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 359 | ALA | 0 | -0.053 | -0.022 | 58.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 360 | VAL | 0 | -0.008 | -0.012 | 52.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 361 | GLN | 0 | -0.026 | 0.011 | 52.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 362 | VAL | 0 | 0.022 | 0.017 | 47.548 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 363 | VAL | 0 | -0.051 | -0.027 | 47.609 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 364 | GLY | 0 | 0.021 | 0.005 | 44.190 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 365 | TRP | 0 | -0.028 | -0.021 | 40.163 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 366 | GLY | 0 | 0.014 | 0.012 | 40.778 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 367 | PRO | 0 | 0.037 | 0.030 | 39.126 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 368 | VAL | 0 | 0.006 | -0.009 | 41.934 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 369 | MET | 0 | -0.062 | -0.035 | 42.589 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 370 | GLN | 0 | 0.063 | 0.037 | 36.970 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 371 | HIS | 0 | 0.028 | 0.018 | 35.868 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |