![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: MV7YZ
Calculation Name: 3LHX-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LHX
Chain ID: A
UniProt ID: A0A0H2
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
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 | 307 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4542235.418393 |
---|---|
FMO2-HF: Nuclear repulsion | 4423527.052694 |
FMO2-HF: Total energy | -118708.365698 |
FMO2-MP2: Total energy | -119054.3757 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F031275/ligand_interaction/ligand_F031275.png)
Ligand Interaction
![ligand interaction](./Kdata/F031275/ligand_interaction/ligand_interaction_F031275.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:75:SER)
Summations of interaction energy for
fragment #1(A:75:SER)
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. |
-14.646 | -6.826 | 5.657 | -5.523 | -7.952 | -0.03 |
Interaction energy analysis for fragmet #1(A:75:SER)
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 | 77 | LYS | 1 | 0.876 | 0.948 | 3.112 | -0.032 | 2.073 | 0.148 | -1.237 | -1.015 | -0.001 |
4 | A | 78 | ILE | 0 | -0.015 | -0.012 | 5.093 | 0.347 | 0.405 | -0.001 | -0.005 | -0.052 | 0.000 |
5 | A | 79 | ALA | 0 | 0.003 | 0.009 | 8.639 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 80 | VAL | 0 | -0.049 | -0.029 | 11.260 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 81 | ILE | 0 | 0.035 | 0.019 | 14.426 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 82 | GLY | 0 | 0.045 | 0.034 | 17.515 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 83 | GLU | -1 | -0.822 | -0.879 | 20.943 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 84 | CYS | 0 | -0.045 | -0.003 | 21.706 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 85 | MET | 0 | -0.086 | -0.021 | 23.723 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 86 | ILE | 0 | 0.038 | 0.006 | 27.125 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 87 | GLU | -1 | -0.863 | -0.899 | 29.167 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 88 | LEU | 0 | -0.021 | -0.006 | 30.832 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 89 | SER | 0 | 0.036 | 0.031 | 33.318 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 90 | GLU | -1 | -0.871 | -0.907 | 35.654 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 91 | LYS | 1 | 0.774 | 0.869 | 36.628 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 92 | GLY | 0 | 0.120 | 0.073 | 41.007 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 93 | ALA | 0 | -0.048 | -0.026 | 43.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 94 | ASP | -1 | -0.815 | -0.873 | 38.663 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 95 | VAL | 0 | 0.050 | 0.019 | 37.903 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 96 | LYS | 1 | 0.798 | 0.879 | 33.765 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 97 | ARG | 1 | 0.902 | 0.940 | 29.942 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 98 | GLY | 0 | 0.003 | 0.001 | 28.611 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 99 | PHE | 0 | -0.015 | -0.023 | 21.622 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 100 | GLY | 0 | 0.059 | 0.038 | 24.651 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 101 | GLY | 0 | 0.036 | 0.007 | 23.912 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 102 | ASP | -1 | -0.782 | -0.841 | 22.502 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 103 | THR | 0 | 0.025 | 0.008 | 18.633 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 104 | LEU | 0 | 0.004 | 0.028 | 17.608 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 105 | ASN | 0 | 0.018 | -0.020 | 17.985 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 106 | THR | 0 | -0.038 | -0.025 | 15.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 107 | SER | 0 | -0.004 | -0.026 | 13.841 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 108 | VAL | 0 | 0.011 | 0.010 | 13.457 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 109 | TYR | 0 | 0.008 | -0.028 | 14.898 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 110 | ILE | 0 | -0.029 | 0.009 | 9.870 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 111 | ALA | 0 | 0.016 | 0.000 | 10.233 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 112 | ARG | 1 | 0.726 | 0.820 | 11.322 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 113 | GLN | 0 | -0.056 | -0.021 | 12.423 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 114 | VAL | 0 | -0.032 | 0.001 | 7.268 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 115 | ASP | -1 | -0.840 | -0.915 | 7.018 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 116 | PRO | 0 | 0.016 | 0.002 | 5.100 | -0.647 | -0.539 | -0.001 | -0.006 | -0.101 | 0.000 |
43 | A | 117 | ALA | 0 | -0.025 | -0.007 | 2.962 | -0.005 | 1.051 | 0.196 | -0.496 | -0.757 | -0.003 |
44 | A | 118 | ALA | 0 | -0.043 | -0.026 | 2.348 | -4.748 | -3.161 | 4.176 | -2.236 | -3.528 | -0.027 |
45 | A | 119 | LEU | 0 | -0.047 | -0.037 | 2.915 | -3.401 | -2.176 | 0.705 | -0.806 | -1.124 | -0.007 |
46 | A | 120 | THR | 0 | 0.027 | 0.028 | 2.845 | -1.681 | 0.010 | 0.435 | -0.734 | -1.391 | 0.008 |
47 | A | 121 | VAL | 0 | -0.001 | -0.009 | 5.062 | -0.843 | -0.853 | -0.001 | -0.003 | 0.016 | 0.000 |
48 | A | 122 | HIS | 0 | 0.014 | 0.005 | 5.406 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 123 | TYR | 0 | -0.005 | 0.000 | 10.466 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 124 | VAL | 0 | -0.008 | -0.002 | 13.619 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 125 | THR | 0 | 0.004 | -0.039 | 16.132 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 126 | ALA | 0 | -0.011 | -0.009 | 19.800 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 127 | LEU | 0 | -0.043 | -0.024 | 21.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 128 | GLY | 0 | 0.100 | 0.056 | 24.690 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 129 | THR | 0 | -0.005 | -0.013 | 26.183 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 130 | ASP | -1 | -0.733 | -0.830 | 28.333 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 131 | SER | 0 | 0.061 | 0.009 | 28.217 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 132 | PHE | 0 | -0.019 | -0.010 | 28.284 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 133 | SER | 0 | 0.001 | -0.042 | 25.096 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 134 | GLN | 0 | -0.054 | -0.032 | 22.572 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 135 | GLN | 0 | 0.008 | -0.006 | 23.616 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 136 | MET | 0 | -0.027 | 0.008 | 22.360 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 137 | LEU | 0 | 0.009 | 0.008 | 18.823 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 138 | ASP | -1 | -0.820 | -0.902 | 18.560 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 139 | ALA | 0 | -0.018 | -0.001 | 19.564 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 140 | TRP | 0 | 0.012 | -0.019 | 16.424 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 141 | HIS | 1 | 0.872 | 0.937 | 14.869 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 142 | GLY | 0 | -0.016 | 0.005 | 15.086 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 143 | GLU | -1 | -0.820 | -0.869 | 15.703 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 144 | ASN | 0 | -0.057 | -0.029 | 10.576 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 145 | VAL | 0 | -0.021 | 0.003 | 10.337 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 146 | ASP | -1 | -0.837 | -0.896 | 9.180 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 147 | THR | 0 | 0.029 | -0.010 | 11.244 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 148 | SER | 0 | -0.053 | -0.038 | 11.293 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 149 | LEU | 0 | 0.009 | 0.002 | 11.600 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 150 | THR | 0 | -0.046 | -0.017 | 15.069 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 151 | GLN | 0 | -0.043 | 0.008 | 17.896 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 152 | ARG | 1 | 0.835 | 0.921 | 21.293 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 153 | MET | 0 | -0.068 | -0.050 | 24.142 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 154 | GLU | -1 | -0.875 | -0.942 | 27.511 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 155 | ASN | 0 | -0.042 | -0.017 | 30.735 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 156 | ARG | 1 | 0.817 | 0.912 | 29.570 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 157 | LEU | 0 | 0.039 | 0.027 | 30.422 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 158 | PRO | 0 | 0.010 | -0.004 | 27.003 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 159 | GLY | 0 | 0.014 | 0.015 | 28.532 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 160 | LEU | 0 | -0.039 | -0.012 | 29.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 161 | TYR | 0 | -0.074 | -0.096 | 28.569 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 162 | TYR | 0 | -0.052 | -0.065 | 33.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 163 | ILE | 0 | -0.018 | -0.014 | 31.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 164 | GLU | -1 | -0.783 | -0.852 | 36.364 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 165 | THR | 0 | -0.064 | -0.039 | 37.991 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 166 | ASP | -1 | -0.759 | -0.830 | 40.428 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 167 | SER | 0 | -0.042 | -0.060 | 40.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 168 | THR | 0 | -0.117 | -0.079 | 36.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 169 | GLY | 0 | -0.030 | -0.016 | 38.707 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 170 | GLU | -1 | -0.936 | -0.969 | 40.401 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 171 | ARG | 1 | 0.879 | 0.951 | 33.015 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 172 | THR | 0 | 0.016 | 0.017 | 38.893 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 173 | PHE | 0 | -0.049 | -0.030 | 32.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 174 | TYR | 0 | -0.084 | -0.051 | 36.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 175 | TYR | 0 | 0.003 | -0.021 | 31.752 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 176 | TRP | 0 | 0.011 | 0.017 | 34.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 177 | ARG | 1 | 0.901 | 0.913 | 27.687 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 178 | ASN | 0 | -0.031 | -0.015 | 31.868 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 179 | GLU | -1 | -0.844 | -0.913 | 33.311 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 180 | ALA | 0 | 0.036 | 0.034 | 28.435 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 181 | ALA | 0 | 0.025 | 0.004 | 26.452 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 182 | ALA | 0 | 0.018 | 0.014 | 24.025 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 183 | LYS | 1 | 0.828 | 0.919 | 24.817 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 184 | PHE | 0 | -0.022 | -0.024 | 26.911 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 185 | TRP | 0 | 0.027 | 0.024 | 18.514 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 186 | LEU | 0 | 0.043 | 0.039 | 21.405 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 187 | ALA | 0 | -0.067 | -0.039 | 24.438 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 188 | SER | 0 | -0.001 | -0.015 | 24.051 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 189 | GLU | -1 | -0.908 | -0.972 | 26.305 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 190 | GLN | 0 | 0.010 | 0.004 | 21.090 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 191 | SER | 0 | -0.022 | 0.005 | 20.996 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 192 | ALA | 0 | 0.047 | 0.014 | 20.740 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 193 | ALA | 0 | 0.067 | 0.042 | 19.611 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 194 | ILE | 0 | -0.008 | -0.007 | 15.949 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 195 | CYS | 0 | -0.052 | -0.034 | 15.806 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 196 | GLU | -1 | -0.931 | -0.958 | 16.730 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 197 | GLU | -1 | -0.875 | -0.944 | 10.218 | -0.496 | -0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 198 | LEU | 0 | -0.021 | -0.017 | 12.060 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 199 | ALA | 0 | -0.001 | -0.006 | 12.966 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 200 | ASN | 0 | -0.032 | -0.011 | 11.278 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 201 | PHE | 0 | -0.021 | -0.003 | 8.401 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 202 | ASP | -1 | -0.808 | -0.876 | 5.972 | -2.619 | -2.619 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 203 | TYR | 0 | -0.006 | -0.016 | 7.484 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 204 | LEU | 0 | 0.032 | 0.029 | 10.888 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 205 | TYR | 0 | 0.010 | 0.003 | 13.688 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 206 | LEU | 0 | -0.014 | -0.006 | 15.916 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 207 | SER | 0 | 0.015 | -0.030 | 19.304 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 208 | GLY | 0 | 0.064 | 0.032 | 22.642 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 209 | ILE | 0 | -0.051 | -0.032 | 25.385 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 210 | SER | 0 | -0.027 | -0.045 | 20.848 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 211 | LEU | 0 | 0.018 | 0.014 | 23.842 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 212 | ALA | 0 | 0.003 | 0.011 | 26.159 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 213 | ILE | 0 | -0.058 | -0.013 | 24.801 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 214 | LEU | 0 | 0.002 | 0.022 | 23.852 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 215 | SER | 0 | 0.029 | 0.008 | 28.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 216 | PRO | 0 | 0.060 | 0.012 | 30.142 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 217 | THR | 0 | 0.022 | 0.003 | 30.695 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 218 | SER | 0 | -0.001 | -0.003 | 26.629 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 219 | ARG | 1 | 0.832 | 0.900 | 25.969 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 220 | GLU | -1 | -0.818 | -0.907 | 26.163 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 221 | LYS | 1 | 0.865 | 0.931 | 24.502 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 222 | LEU | 0 | 0.012 | 0.013 | 19.918 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 223 | LEU | 0 | -0.009 | -0.009 | 21.701 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 224 | SER | 0 | -0.062 | -0.048 | 23.074 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 225 | LEU | 0 | 0.023 | 0.024 | 16.492 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 226 | LEU | 0 | -0.028 | -0.017 | 18.021 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 227 | ARG | 1 | 0.896 | 0.955 | 19.131 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 228 | GLU | -1 | -0.895 | -0.936 | 19.398 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 229 | CYS | 0 | -0.031 | 0.007 | 13.544 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 230 | ARG | 1 | 0.857 | 0.907 | 15.823 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 231 | ALA | 0 | -0.059 | -0.018 | 17.878 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 232 | LYS | 1 | 0.865 | 0.927 | 14.817 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 233 | GLY | 0 | -0.052 | -0.011 | 14.832 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 234 | GLY | 0 | 0.026 | 0.013 | 12.507 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 235 | LYS | 1 | 0.849 | 0.914 | 13.017 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 236 | VAL | 0 | 0.030 | 0.014 | 14.301 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 237 | ILE | 0 | -0.027 | -0.022 | 13.416 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 238 | PHE | 0 | 0.039 | 0.021 | 17.722 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 239 | ASP | -1 | -0.803 | -0.886 | 20.805 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 240 | ASN | 0 | 0.009 | -0.004 | 22.508 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 241 | ASN | 0 | 0.008 | 0.005 | 25.168 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 242 | TYR | 0 | 0.012 | 0.022 | 27.157 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 243 | ARG | 1 | 0.869 | 0.917 | 28.492 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 244 | PRO | 0 | 0.060 | 0.026 | 32.599 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 245 | ARG | 1 | 0.921 | 0.957 | 35.735 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 246 | LEU | 0 | -0.047 | -0.022 | 30.053 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 247 | TRP | 0 | -0.017 | 0.003 | 29.173 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 248 | ALA | 0 | -0.012 | 0.004 | 35.173 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 249 | SER | 0 | -0.044 | -0.057 | 37.646 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 250 | LYS | 1 | 0.924 | 0.976 | 37.395 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 251 | GLU | -1 | -0.836 | -0.908 | 37.140 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 252 | GLU | -1 | -0.804 | -0.878 | 34.473 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 253 | THR | 0 | -0.001 | -0.016 | 31.885 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 254 | GLN | 0 | -0.059 | -0.031 | 32.474 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 255 | GLN | 0 | -0.002 | 0.006 | 33.384 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 256 | VAL | 0 | 0.013 | 0.013 | 28.611 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 257 | TYR | 0 | -0.039 | -0.051 | 28.539 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 258 | GLN | 0 | -0.085 | -0.039 | 28.647 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 259 | GLN | 0 | -0.005 | -0.010 | 28.591 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 260 | MET | 0 | 0.000 | 0.008 | 20.666 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 261 | LEU | 0 | -0.041 | -0.020 | 24.406 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 262 | GLU | -1 | -0.846 | -0.903 | 25.864 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 263 | CYS | 0 | -0.136 | -0.063 | 22.498 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 264 | THR | 0 | -0.013 | -0.023 | 20.806 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 265 | ASP | -1 | -0.820 | -0.887 | 17.932 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 266 | ILE | 0 | -0.050 | -0.032 | 15.716 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 267 | ALA | 0 | 0.033 | 0.020 | 19.746 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 268 | PHE | 0 | -0.021 | -0.018 | 17.359 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 269 | LEU | 0 | 0.000 | -0.017 | 22.856 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 270 | THR | 0 | 0.000 | -0.021 | 26.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 271 | LEU | 0 | 0.058 | 0.015 | 28.454 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 272 | ASP | -1 | -0.868 | -0.939 | 31.741 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 273 | ASP | -1 | -0.832 | -0.917 | 29.547 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 274 | GLU | -1 | -0.836 | -0.906 | 30.406 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 275 | ASP | -1 | -0.800 | -0.896 | 33.139 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 276 | ALA | 0 | -0.050 | -0.013 | 35.479 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 277 | LEU | 0 | -0.062 | -0.034 | 32.343 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 278 | TRP | 0 | -0.028 | -0.028 | 32.123 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 279 | GLY | 0 | -0.045 | -0.002 | 37.474 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 280 | GLN | 0 | -0.077 | -0.052 | 38.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 281 | GLN | 0 | -0.049 | -0.021 | 37.568 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 282 | PRO | 0 | 0.032 | 0.029 | 37.837 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 283 | VAL | 0 | 0.050 | 0.018 | 32.354 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 284 | GLU | -1 | -0.898 | -0.962 | 33.563 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 285 | ASP | -1 | -0.856 | -0.930 | 34.668 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 286 | VAL | 0 | -0.070 | -0.029 | 30.904 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 287 | ILE | 0 | 0.000 | 0.005 | 29.371 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 288 | ALA | 0 | 0.018 | 0.012 | 30.465 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 289 | ARG | 1 | 0.914 | 0.948 | 32.477 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 290 | THR | 0 | -0.010 | -0.012 | 26.900 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 291 | HIS | 1 | 0.768 | 0.847 | 25.848 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 292 | ASN | 0 | -0.092 | -0.048 | 29.011 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 293 | ALA | 0 | -0.008 | 0.019 | 29.074 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 294 | GLY | 0 | 0.018 | 0.007 | 27.118 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 295 | VAL | 0 | -0.026 | 0.016 | 22.803 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 296 | LYS | 1 | 0.876 | 0.946 | 20.959 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 297 | GLU | -1 | -0.785 | -0.852 | 19.020 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 298 | VAL | 0 | 0.010 | 0.009 | 22.247 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 299 | VAL | 0 | -0.004 | 0.001 | 20.476 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 300 | VAL | 0 | 0.038 | 0.022 | 23.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 301 | LYS | 1 | 0.801 | 0.912 | 22.690 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 302 | ARG | 1 | 0.882 | 0.915 | 27.231 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 303 | GLY | 0 | 0.031 | 0.018 | 29.681 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 304 | ALA | 0 | -0.046 | -0.029 | 30.235 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 305 | ASP | -1 | -0.847 | -0.905 | 32.733 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 306 | SER | 0 | -0.084 | -0.060 | 30.157 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 307 | CYS | 0 | -0.087 | -0.037 | 24.885 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 308 | LEU | 0 | 0.025 | 0.019 | 27.421 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 309 | VAL | 0 | 0.006 | -0.006 | 22.046 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 310 | SER | 0 | 0.017 | 0.022 | 25.261 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 311 | ILE | 0 | 0.011 | 0.004 | 21.006 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 312 | ALA | 0 | 0.016 | 0.010 | 24.619 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 313 | GLY | 0 | -0.006 | -0.014 | 26.067 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 314 | GLU | -1 | -0.901 | -0.948 | 23.558 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 315 | ALA | 0 | -0.023 | -0.009 | 28.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 316 | LEU | 0 | -0.027 | -0.013 | 28.290 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 317 | VAL | 0 | -0.008 | -0.001 | 24.553 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 318 | ASP | -1 | -0.830 | -0.883 | 27.681 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 319 | VAL | 0 | 0.001 | -0.004 | 24.895 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 320 | PRO | 0 | 0.030 | 0.017 | 27.932 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 321 | ALA | 0 | 0.025 | 0.024 | 27.913 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 322 | VAL | 0 | 0.001 | -0.006 | 28.072 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 323 | LYS | 1 | 0.950 | 0.973 | 30.392 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 324 | LEU | 0 | 0.042 | 0.021 | 30.525 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 325 | PRO | 0 | -0.068 | -0.028 | 33.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 326 | LYS | 1 | 1.026 | 0.998 | 36.263 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 327 | GLU | -1 | -0.840 | -0.915 | 37.436 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 328 | LYS | 1 | 0.858 | 0.920 | 33.821 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 329 | VAL | 0 | -0.027 | -0.013 | 32.627 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 330 | ILE | 0 | -0.028 | 0.002 | 32.933 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 331 | ASP | -1 | -0.789 | -0.894 | 31.048 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 332 | THR | 0 | -0.017 | -0.004 | 30.242 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 333 | THR | 0 | -0.056 | -0.060 | 27.805 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 334 | ALA | 0 | 0.047 | 0.029 | 23.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 335 | ALA | 0 | 0.008 | 0.037 | 23.943 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 336 | GLY | 0 | 0.002 | 0.001 | 24.134 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 337 | ASP | -1 | -0.782 | -0.905 | 21.496 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 338 | SER | 0 | -0.022 | -0.027 | 19.615 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 339 | PHE | 0 | -0.010 | -0.002 | 19.435 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 340 | SER | 0 | 0.000 | -0.031 | 18.631 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 341 | ALA | 0 | 0.020 | 0.021 | 15.358 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 342 | GLY | 0 | -0.005 | 0.002 | 14.675 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 343 | TYR | 0 | -0.042 | -0.056 | 15.819 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 344 | LEU | 0 | -0.007 | -0.007 | 12.492 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 345 | ALA | 0 | 0.030 | 0.018 | 10.933 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 346 | VAL | 0 | -0.018 | 0.008 | 10.997 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 347 | ARG | 1 | 0.767 | 0.863 | 12.856 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 348 | LEU | 0 | -0.068 | -0.032 | 9.188 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 349 | THR | 0 | -0.048 | -0.038 | 7.117 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 350 | GLY | 0 | 0.004 | 0.010 | 9.402 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 351 | GLY | 0 | 0.000 | 0.015 | 11.981 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 352 | SER | 0 | 0.001 | -0.014 | 15.221 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 353 | ALA | 0 | 0.084 | 0.036 | 18.539 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 354 | GLU | -1 | -0.812 | -0.894 | 20.353 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 355 | ASN | 0 | 0.011 | -0.018 | 18.857 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 356 | ALA | 0 | 0.002 | 0.022 | 16.910 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 357 | ALA | 0 | 0.053 | 0.019 | 18.234 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 358 | LYS | 1 | 0.823 | 0.910 | 21.717 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 359 | ARG | 1 | 0.913 | 0.964 | 14.228 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 360 | GLY | 0 | 0.029 | 0.031 | 19.693 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 361 | HIS | 0 | 0.020 | -0.010 | 20.589 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 362 | LEU | 0 | -0.026 | 0.010 | 21.142 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 363 | THR | 0 | -0.023 | -0.030 | 18.806 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 364 | ALA | 0 | 0.033 | 0.020 | 21.453 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 365 | SER | 0 | -0.037 | -0.044 | 24.180 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 366 | THR | 0 | -0.033 | -0.003 | 23.760 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 367 | VAL | 0 | 0.016 | 0.002 | 22.284 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 368 | ILE | 0 | 0.003 | 0.012 | 25.380 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 369 | GLN | 0 | -0.094 | -0.061 | 28.622 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 370 | TYR | 0 | -0.048 | -0.025 | 27.107 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 371 | ARG | 1 | 0.953 | 0.972 | 29.773 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 372 | GLY | 0 | 0.001 | 0.008 | 28.738 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 373 | ALA | 0 | 0.022 | 0.012 | 24.755 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 374 | ILE | 0 | -0.024 | 0.005 | 21.002 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 375 | ILE | 0 | 0.037 | 0.031 | 22.580 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 376 | PRO | 0 | 0.027 | 0.006 | 22.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 377 | ARG | 1 | 0.887 | 0.924 | 19.084 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 378 | GLU | -1 | -0.896 | -0.958 | 21.101 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 379 | ALA | 0 | -0.039 | -0.016 | 23.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 380 | MET | 0 | -0.049 | -0.001 | 17.341 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 381 | PRO | 0 | -0.022 | 0.002 | 19.871 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |