FMODB ID: J3N29
Calculation Name: 3F3F-C-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3F3F
Chain ID: C
UniProt ID: P46673
Base Structure: X-ray
Registration Date: 2023-06-19
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 | 484 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8855929.582763 |
---|---|
FMO2-HF: Nuclear repulsion | 8661410.859539 |
FMO2-HF: Total energy | -194518.723224 |
FMO2-MP2: Total energy | -195082.193512 |
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(C:47:ILE)
Summations of interaction energy for
fragment #1(C:47:ILE)
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. |
-4.658 | -2.51 | 4.43 | -1.709 | -4.867 | 0.004 |
Interaction energy analysis for fragmet #1(C:47:ILE)
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 | C | 49 | VAL | 0 | 0.035 | 0.007 | 2.074 | -0.623 | 0.113 | 2.902 | -1.056 | -2.581 | 0.003 |
4 | C | 50 | PRO | 0 | -0.049 | -0.018 | 4.277 | -0.182 | -0.117 | 0.000 | -0.024 | -0.041 | 0.000 |
5 | C | 51 | MET | 0 | 0.024 | 0.001 | 8.090 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | C | 52 | THR | 0 | -0.003 | -0.017 | 9.841 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | C | 53 | VAL | 0 | -0.043 | 0.010 | 11.407 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | C | 54 | ASN | 0 | 0.001 | -0.018 | 13.064 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | C | 55 | ASP | -1 | -0.909 | -0.945 | 16.763 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | C | 56 | GLN | 0 | 0.022 | 0.008 | 11.213 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | C | 57 | PRO | 0 | -0.031 | -0.019 | 15.292 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | C | 58 | ILE | 0 | -0.044 | -0.028 | 16.379 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | C | 59 | GLU | -1 | -0.888 | -0.950 | 18.548 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | C | 60 | LYS | 1 | 1.004 | 1.026 | 19.539 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | C | 61 | ASN | 0 | -0.087 | -0.041 | 19.937 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | C | 62 | GLY | 0 | -0.031 | -0.056 | 21.848 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | C | 63 | ASP | -1 | -0.900 | -0.925 | 24.323 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | C | 64 | LYS | 1 | 0.970 | 0.975 | 17.729 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | C | 65 | MET | 0 | 0.014 | 0.011 | 20.246 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | C | 66 | PRO | 0 | -0.025 | -0.018 | 19.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | C | 67 | LEU | 0 | 0.012 | 0.022 | 13.610 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | C | 68 | LYS | 1 | 0.873 | 0.938 | 17.998 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | C | 69 | PHE | 0 | 0.043 | 0.007 | 12.082 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | C | 70 | LYS | 1 | 0.907 | 0.946 | 16.306 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | C | 71 | LEU | 0 | 0.048 | 0.025 | 12.316 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | C | 72 | GLY | 0 | 0.001 | -0.002 | 16.203 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | C | 73 | PRO | 0 | -0.027 | -0.026 | 17.897 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | C | 74 | LEU | 0 | 0.039 | 0.041 | 18.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | C | 75 | SER | 0 | 0.061 | 0.016 | 12.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | C | 76 | TYR | 0 | -0.035 | -0.031 | 13.261 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | C | 77 | GLN | 0 | -0.043 | -0.023 | 14.553 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | C | 78 | ASN | 0 | 0.030 | 0.044 | 12.896 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | C | 79 | MET | 0 | -0.032 | -0.013 | 15.687 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | C | 80 | ALA | 0 | 0.022 | 0.030 | 14.022 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | C | 81 | PHE | 0 | -0.017 | -0.014 | 16.177 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | C | 82 | ILE | 0 | 0.055 | 0.011 | 18.228 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | C | 83 | THR | 0 | -0.050 | -0.011 | 21.136 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | C | 84 | ALA | 0 | 0.026 | 0.002 | 24.214 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | C | 85 | LYS | 1 | 0.951 | 0.972 | 25.934 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | C | 86 | ASP | -1 | -0.878 | -0.948 | 27.199 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | C | 87 | LYS | 1 | 0.815 | 0.913 | 21.252 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | C | 88 | TYR | 0 | 0.027 | 0.017 | 24.308 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | C | 89 | LYS | 1 | 0.944 | 0.998 | 20.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | C | 90 | LEU | 0 | -0.015 | -0.012 | 20.235 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | C | 91 | TYR | 0 | 0.031 | -0.009 | 15.259 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | C | 92 | PRO | 0 | 0.030 | 0.019 | 15.550 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | C | 93 | VAL | 0 | 0.011 | 0.008 | 9.904 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | C | 94 | ARG | 1 | 0.911 | 0.952 | 10.278 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | C | 95 | ILE | 0 | 0.003 | -0.011 | 7.712 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | C | 96 | PRO | 0 | -0.052 | -0.029 | 3.556 | -0.201 | 0.076 | 0.006 | -0.045 | -0.238 | 0.000 |
51 | C | 97 | ARG | 1 | 0.832 | 0.914 | 2.295 | 0.116 | 1.186 | 1.522 | -0.584 | -2.007 | 0.001 |
52 | C | 98 | LEU | 0 | 0.058 | 0.058 | 6.213 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | C | 99 | ASP | -1 | -0.749 | -0.883 | 9.553 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | C | 100 | THR | 0 | -0.034 | -0.018 | 12.472 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | C | 101 | SER | 0 | -0.033 | -0.014 | 15.398 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | C | 102 | LYS | 1 | 0.981 | 0.975 | 17.363 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | C | 103 | GLU | -1 | -0.892 | -0.950 | 18.185 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | C | 104 | PHE | 0 | 0.046 | 0.029 | 14.431 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | C | 105 | SER | 0 | 0.028 | 0.016 | 17.564 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | C | 106 | ALA | 0 | -0.024 | -0.016 | 20.061 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | C | 107 | TYR | 0 | 0.032 | -0.006 | 15.605 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | C | 108 | VAL | 0 | -0.015 | -0.009 | 17.669 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | C | 109 | SER | 0 | -0.055 | -0.037 | 20.275 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | C | 110 | GLY | 0 | 0.040 | 0.028 | 23.650 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | C | 111 | LEU | 0 | 0.025 | -0.002 | 18.885 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | C | 112 | PHE | 0 | -0.043 | -0.028 | 23.107 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | C | 113 | GLU | -1 | -0.868 | -0.936 | 24.855 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | C | 114 | ILE | 0 | 0.022 | 0.023 | 24.732 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | C | 115 | TYR | 0 | -0.031 | -0.016 | 24.978 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | C | 116 | ARG | 1 | 0.848 | 0.921 | 27.073 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | C | 117 | ASP | -1 | -0.896 | -0.962 | 30.050 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | C | 118 | LEU | 0 | -0.054 | -0.021 | 27.815 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | C | 119 | GLY | 0 | -0.017 | -0.001 | 31.668 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | C | 120 | ASP | -1 | -0.958 | -1.000 | 33.011 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | C | 121 | ASP | -1 | -0.830 | -0.897 | 33.340 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | C | 122 | ARG | 1 | 0.834 | 0.932 | 28.606 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | C | 123 | VAL | 0 | -0.055 | -0.021 | 29.292 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | C | 124 | PHE | 0 | 0.018 | 0.011 | 31.613 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | C | 125 | ASN | 0 | -0.068 | -0.038 | 33.320 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | C | 126 | VAL | 0 | 0.099 | 0.052 | 34.731 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | C | 127 | PRO | 0 | -0.035 | -0.024 | 36.885 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | C | 128 | THR | 0 | -0.027 | -0.007 | 39.735 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | C | 129 | ILE | 0 | -0.019 | -0.008 | 42.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | C | 130 | GLY | 0 | 0.057 | 0.008 | 45.524 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | C | 131 | VAL | 0 | -0.079 | -0.050 | 47.913 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | C | 132 | VAL | 0 | 0.009 | 0.004 | 45.373 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | C | 133 | ASN | 0 | -0.043 | 0.011 | 46.618 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | C | 134 | SER | 0 | 0.056 | 0.015 | 45.051 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | C | 135 | ASN | 0 | -0.002 | -0.008 | 43.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | C | 136 | PHE | 0 | 0.072 | 0.060 | 38.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | C | 137 | ALA | 0 | 0.031 | 0.021 | 39.305 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | C | 138 | LYS | 1 | 0.994 | 0.982 | 38.452 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | C | 139 | GLU | -1 | -0.961 | -1.015 | 38.853 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | C | 140 | HIS | 1 | 0.804 | 0.922 | 32.913 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | C | 141 | ASN | 0 | 0.001 | -0.006 | 33.913 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | C | 142 | ALA | 0 | -0.016 | 0.017 | 33.885 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | C | 143 | THR | 0 | 0.055 | 0.019 | 34.283 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | C | 144 | VAL | 0 | 0.004 | 0.015 | 29.067 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | C | 145 | ASN | 0 | -0.038 | -0.055 | 29.548 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | C | 146 | LEU | 0 | 0.005 | 0.022 | 30.106 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | C | 147 | ALA | 0 | 0.010 | 0.010 | 28.096 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | C | 148 | MET | 0 | -0.009 | -0.009 | 22.261 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | C | 149 | GLU | -1 | -0.897 | -0.960 | 25.344 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | C | 150 | ALA | 0 | -0.021 | -0.003 | 26.686 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | C | 151 | ILE | 0 | -0.018 | -0.016 | 21.198 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | C | 152 | LEU | 0 | -0.018 | -0.014 | 21.461 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | C | 153 | ASN | 0 | 0.003 | 0.008 | 22.723 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | C | 154 | GLU | -1 | -0.920 | -0.978 | 22.362 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | C | 155 | LEU | 0 | -0.025 | -0.006 | 16.117 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | C | 156 | GLU | -1 | -0.826 | -0.905 | 19.465 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | C | 157 | VAL | 0 | -0.036 | -0.015 | 21.762 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | C | 158 | PHE | 0 | -0.076 | -0.030 | 14.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | C | 159 | ILE | 0 | 0.033 | 0.005 | 16.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | C | 160 | GLY | 0 | -0.001 | 0.001 | 18.600 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | C | 161 | ARG | 1 | 0.902 | 0.929 | 21.044 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | C | 162 | VAL | 0 | -0.027 | -0.001 | 14.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | C | 163 | LYS | 1 | 0.925 | 0.977 | 17.902 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | C | 164 | ASP | -1 | -0.956 | -0.958 | 19.412 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | C | 165 | GLN | 0 | -0.111 | -0.051 | 19.953 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | C | 166 | ASP | -1 | -0.882 | -0.946 | 16.069 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | C | 167 | GLY | 0 | -0.011 | 0.001 | 15.914 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | C | 168 | ARG | 1 | 0.834 | 0.901 | 5.758 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | C | 169 | VAL | 0 | 0.150 | 0.074 | 12.686 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | C | 170 | ASN | 0 | -0.086 | -0.061 | 6.883 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | C | 171 | ARG | 1 | 0.879 | 0.938 | 9.194 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | C | 172 | PHE | 0 | 0.019 | 0.022 | 10.204 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | C | 173 | TYR | 0 | 0.052 | 0.027 | 9.718 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | C | 174 | GLU | -1 | -0.838 | -0.927 | 5.649 | -1.023 | -1.023 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | C | 175 | LEU | 0 | 0.000 | -0.006 | 10.185 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | C | 176 | GLU | -1 | -0.896 | -0.945 | 13.179 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | C | 177 | GLU | -1 | -0.854 | -0.924 | 10.172 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | C | 178 | SER | 0 | -0.012 | -0.028 | 11.598 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | C | 179 | LEU | 0 | 0.011 | 0.010 | 14.056 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | C | 180 | THR | 0 | -0.001 | 0.008 | 16.997 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | C | 181 | VAL | 0 | -0.016 | -0.023 | 14.841 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | C | 182 | LEU | 0 | 0.020 | 0.012 | 17.829 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | C | 183 | ASN | 0 | -0.006 | 0.000 | 19.877 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | C | 184 | CYS | 0 | -0.017 | 0.014 | 21.136 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | C | 185 | LEU | 0 | 0.024 | 0.008 | 20.844 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | C | 186 | ARG | 1 | 0.923 | 0.950 | 23.139 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | C | 187 | THR | 0 | -0.010 | -0.010 | 25.852 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | C | 188 | MET | 0 | -0.054 | -0.017 | 25.966 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | C | 189 | TYR | 0 | -0.053 | -0.020 | 25.867 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | C | 190 | PHE | 0 | -0.101 | -0.060 | 25.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | C | 191 | ILE | 0 | 0.045 | 0.017 | 29.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | C | 192 | LEU | 0 | -0.005 | -0.001 | 32.559 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | C | 193 | ASP | -1 | -0.814 | -0.888 | 33.530 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | C | 194 | GLY | 0 | -0.034 | -0.016 | 33.838 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | C | 195 | GLN | 0 | -0.034 | 0.003 | 35.225 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | C | 196 | ASP | -1 | -0.768 | -0.869 | 36.329 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | C | 197 | VAL | 0 | 0.029 | -0.012 | 35.453 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | C | 198 | GLU | -1 | -1.037 | -1.030 | 37.856 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | C | 199 | GLU | -1 | -0.989 | -0.976 | 38.918 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | C | 200 | ASN | 0 | -0.020 | -0.025 | 37.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | C | 201 | ARG | 1 | 0.881 | 0.964 | 37.447 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | C | 202 | SER | 0 | 0.031 | 0.007 | 37.252 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | C | 203 | GLU | -1 | -0.835 | -0.917 | 33.167 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | C | 204 | PHE | 0 | 0.020 | 0.016 | 31.205 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | C | 205 | ILE | 0 | -0.025 | -0.029 | 32.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | C | 206 | GLU | -1 | -0.949 | -0.959 | 31.992 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | C | 207 | SER | 0 | 0.014 | -0.027 | 27.718 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | C | 208 | LEU | 0 | -0.031 | -0.012 | 27.731 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | C | 209 | LEU | 0 | -0.021 | -0.018 | 27.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | C | 210 | ASN | 0 | -0.008 | 0.006 | 25.296 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | C | 211 | TRP | 0 | -0.042 | -0.034 | 20.922 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | C | 212 | ILE | 0 | -0.009 | -0.011 | 23.381 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | C | 213 | ASN | 0 | -0.044 | -0.010 | 24.596 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | C | 214 | ARG | 1 | 0.867 | 0.921 | 22.096 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | C | 215 | SER | 0 | -0.072 | -0.012 | 19.617 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | C | 216 | ASP | -1 | -0.824 | -0.912 | 18.851 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | C | 217 | GLY | 0 | -0.013 | -0.011 | 20.963 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | C | 218 | GLU | -1 | -1.010 | -0.986 | 23.148 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | C | 219 | PRO | 0 | -0.076 | -0.043 | 25.755 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | C | 220 | ASP | -1 | -0.738 | -0.883 | 25.758 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | C | 221 | GLU | -1 | -0.953 | -0.994 | 27.820 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | C | 222 | GLU | -1 | -0.978 | -0.973 | 26.444 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | C | 223 | TYR | 0 | -0.035 | -0.068 | 29.061 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | C | 224 | ILE | 0 | -0.010 | 0.010 | 30.991 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | C | 225 | GLU | -1 | -0.898 | -0.982 | 34.094 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | C | 226 | GLN | 0 | -0.039 | 0.011 | 30.342 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | C | 227 | VAL | 0 | -0.028 | -0.014 | 34.276 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | C | 228 | PHE | 0 | -0.080 | -0.041 | 36.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | C | 229 | SER | 0 | -0.009 | 0.006 | 37.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | C | 230 | VAL | 0 | -0.026 | -0.018 | 36.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | C | 231 | LYS | 1 | 0.896 | 0.937 | 37.907 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | C | 232 | ASP | -1 | -0.837 | -0.883 | 42.447 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | C | 233 | SER | 0 | -0.041 | -0.044 | 44.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | C | 234 | THR | 0 | -0.068 | -0.031 | 41.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | C | 235 | ALA | 0 | 0.020 | 0.039 | 42.925 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | C | 236 | GLY | 0 | -0.037 | -0.029 | 44.212 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | C | 237 | LYS | 1 | 0.845 | 0.907 | 44.993 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | C | 238 | LYS | 1 | 0.967 | 0.988 | 47.344 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | C | 239 | VAL | 0 | 0.069 | 0.043 | 47.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | C | 240 | PHE | 0 | -0.024 | -0.002 | 41.205 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | C | 241 | GLU | -1 | -0.850 | -0.925 | 44.546 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | C | 242 | THR | 0 | -0.052 | -0.017 | 39.843 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | C | 243 | GLN | 0 | -0.005 | -0.033 | 38.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | C | 244 | TYR | 0 | -0.017 | -0.027 | 34.211 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | C | 245 | PHE | 0 | 0.079 | 0.049 | 36.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | C | 246 | TRP | 0 | 0.089 | 0.043 | 38.651 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | C | 247 | LYS | 1 | 0.911 | 0.976 | 34.202 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | C | 248 | LEU | 0 | 0.049 | 0.020 | 32.595 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | C | 249 | LEU | 0 | -0.016 | 0.023 | 35.096 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | C | 250 | ASN | 0 | 0.007 | -0.023 | 36.501 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | C | 251 | GLN | 0 | 0.003 | 0.022 | 28.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | C | 252 | LEU | 0 | 0.003 | 0.001 | 32.667 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | C | 253 | VAL | 0 | -0.002 | 0.000 | 34.183 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | C | 254 | LEU | 0 | -0.049 | -0.007 | 32.584 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | C | 255 | ARG | 1 | 0.837 | 0.909 | 24.863 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | C | 256 | GLY | 0 | 0.037 | 0.007 | 31.553 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | C | 257 | LEU | 0 | -0.040 | 0.013 | 30.108 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | C | 258 | LEU | 0 | -0.009 | -0.032 | 34.418 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | C | 259 | SER | 0 | -0.007 | -0.004 | 37.326 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | C | 260 | GLN | 0 | 0.063 | 0.019 | 31.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | C | 261 | ALA | 0 | 0.009 | 0.015 | 37.281 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | C | 262 | ILE | 0 | 0.003 | -0.007 | 38.718 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | C | 263 | GLY | 0 | 0.030 | 0.020 | 40.870 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | C | 264 | CYS | 0 | -0.059 | -0.041 | 38.030 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | C | 265 | ILE | 0 | 0.036 | 0.022 | 40.808 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | C | 266 | GLU | -1 | -1.038 | -1.014 | 44.125 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | C | 267 | ARG | 1 | 0.889 | 0.952 | 40.785 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | C | 268 | SER | 0 | -0.041 | -0.018 | 44.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | C | 269 | ASP | -1 | -0.818 | -0.949 | 46.901 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | C | 270 | LEU | 0 | 0.011 | 0.020 | 48.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | C | 271 | LEU | 0 | -0.025 | -0.026 | 50.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | C | 272 | PRO | 0 | -0.014 | 0.002 | 51.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | C | 273 | TYR | 0 | 0.060 | 0.040 | 52.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | C | 274 | LEU | 0 | 0.020 | 0.022 | 50.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | C | 275 | SER | 0 | -0.030 | -0.002 | 54.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | C | 276 | ASP | -1 | -1.006 | -0.978 | 57.030 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | C | 277 | THR | 0 | -0.125 | -0.082 | 56.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | C | 278 | CYS | 0 | -0.070 | 0.023 | 56.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | C | 279 | ALA | 0 | 0.049 | 0.013 | 57.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | C | 280 | VAL | 0 | 0.024 | 0.010 | 58.123 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | C | 281 | SER | 0 | -0.009 | -0.034 | 53.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | C | 282 | PHE | 0 | 0.014 | 0.009 | 53.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | C | 283 | ASP | -1 | -0.889 | -0.952 | 53.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | C | 284 | ALA | 0 | 0.002 | 0.028 | 51.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | C | 285 | VAL | 0 | -0.006 | -0.019 | 47.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | C | 286 | SER | 0 | -0.003 | 0.000 | 48.903 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | C | 287 | ASP | -1 | -0.897 | -0.963 | 50.171 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | C | 288 | SER | 0 | -0.033 | -0.019 | 47.157 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | C | 289 | ILE | 0 | -0.006 | -0.007 | 45.555 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | C | 290 | GLU | -1 | -0.937 | -0.964 | 46.402 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | C | 291 | LEU | 0 | 0.008 | -0.005 | 46.806 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | C | 292 | LEU | 0 | -0.010 | 0.006 | 41.202 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | C | 293 | LYS | 1 | 0.907 | 0.954 | 42.914 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | C | 294 | GLN | 0 | -0.103 | -0.036 | 44.798 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | C | 295 | TYR | 0 | -0.070 | -0.072 | 38.524 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | C | 296 | PRO | 0 | -0.036 | -0.027 | 42.079 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | C | 297 | LYS | 1 | 0.966 | 0.979 | 36.753 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | C | 298 | ASP | -1 | -0.841 | -0.903 | 39.846 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | C | 299 | SER | 0 | 0.018 | 0.007 | 42.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | C | 300 | SER | 0 | 0.048 | -0.002 | 42.363 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | C | 301 | SER | 0 | -0.029 | -0.007 | 44.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | C | 302 | THR | 0 | 0.051 | 0.011 | 46.388 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | C | 303 | PHE | 0 | 0.049 | 0.031 | 41.604 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | C | 304 | ARG | 1 | 0.943 | 0.984 | 45.268 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | C | 305 | GLU | -1 | -0.989 | -1.012 | 47.499 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | C | 306 | TRP | 0 | 0.020 | 0.008 | 42.574 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | C | 307 | LYS | 1 | 0.923 | 0.964 | 43.519 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | C | 308 | ASN | 0 | -0.051 | -0.018 | 46.775 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | C | 309 | LEU | 0 | 0.016 | -0.002 | 50.452 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | C | 310 | VAL | 0 | 0.032 | 0.033 | 45.301 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | C | 311 | LEU | 0 | -0.005 | -0.009 | 47.060 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | C | 312 | LYS | 1 | 0.895 | 0.960 | 49.895 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | C | 313 | LEU | 0 | 0.013 | 0.012 | 49.544 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | C | 314 | SER | 0 | 0.009 | -0.001 | 48.601 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | C | 315 | GLN | 0 | -0.029 | -0.004 | 50.711 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | C | 316 | ALA | 0 | -0.046 | -0.027 | 53.854 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | C | 317 | PHE | 0 | 0.004 | -0.004 | 51.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | C | 318 | GLY | 0 | 0.031 | 0.023 | 52.976 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | C | 319 | SER | 0 | -0.086 | -0.032 | 53.843 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | C | 320 | SER | 0 | -0.005 | -0.016 | 57.515 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | C | 321 | ALA | 0 | -0.010 | -0.008 | 58.799 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | C | 322 | THR | 0 | -0.014 | -0.004 | 55.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | C | 323 | ASP | -1 | -0.909 | -0.972 | 58.059 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | C | 324 | ILE | 0 | 0.024 | -0.004 | 52.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | C | 325 | SER | 0 | -0.040 | -0.024 | 51.784 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | C | 326 | GLY | 0 | 0.003 | -0.004 | 52.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | C | 327 | GLU | -1 | -0.892 | -0.953 | 46.424 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | C | 328 | LEU | 0 | 0.005 | -0.003 | 47.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | C | 329 | ARG | 1 | 0.881 | 0.961 | 49.293 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | C | 330 | ASP | -1 | -0.815 | -0.928 | 47.158 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | C | 331 | TYR | 0 | -0.096 | -0.046 | 43.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | C | 332 | ILE | 0 | 0.027 | 0.023 | 44.718 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | C | 333 | GLU | -1 | -0.946 | -0.965 | 46.855 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | C | 334 | ASP | -1 | -0.840 | -0.924 | 42.269 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | C | 335 | PHE | 0 | 0.004 | 0.010 | 40.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | C | 336 | LEU | 0 | 0.009 | -0.008 | 42.930 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | C | 337 | LEU | 0 | -0.070 | -0.036 | 43.565 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | C | 338 | VAL | 0 | -0.034 | -0.026 | 37.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | C | 339 | ILE | 0 | 0.004 | 0.012 | 40.268 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | C | 340 | GLY | 0 | -0.004 | 0.003 | 41.982 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | C | 341 | GLY | 0 | 0.021 | 0.005 | 40.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | C | 342 | ASN | 0 | -0.058 | -0.034 | 41.041 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | C | 343 | GLN | 0 | 0.081 | 0.032 | 38.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | C | 344 | ARG | 1 | 0.915 | 0.955 | 37.908 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | C | 345 | LYS | 1 | 0.934 | 0.965 | 38.452 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | C | 346 | ILE | 0 | 0.027 | 0.031 | 34.379 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | C | 347 | LEU | 0 | 0.016 | 0.022 | 32.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | C | 348 | GLN | 0 | -0.070 | -0.024 | 33.567 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | C | 349 | TYR | 0 | -0.138 | -0.099 | 34.766 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | C | 350 | SER | 0 | 0.020 | 0.013 | 30.176 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | C | 351 | ARG | 1 | 0.893 | 0.955 | 22.860 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | C | 352 | THR | 0 | -0.012 | -0.008 | 23.343 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | C | 353 | TRP | 0 | 0.055 | 0.030 | 20.771 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | C | 354 | TYR | 0 | 0.062 | 0.016 | 21.116 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | C | 355 | GLU | -1 | -0.772 | -0.875 | 25.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | C | 356 | SER | 0 | -0.003 | -0.006 | 28.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | C | 357 | PHE | 0 | -0.020 | -0.011 | 27.975 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | C | 358 | CYS | 0 | 0.003 | 0.016 | 28.930 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | C | 359 | GLY | 0 | 0.052 | 0.020 | 30.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | C | 360 | PHE | 0 | -0.086 | -0.045 | 32.539 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | C | 361 | LEU | 0 | 0.010 | 0.006 | 31.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | C | 362 | LEU | 0 | 0.000 | 0.023 | 33.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | C | 363 | TYR | 0 | -0.038 | -0.025 | 35.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | C | 364 | TYR | 0 | -0.052 | -0.018 | 38.497 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | C | 365 | ILE | 0 | -0.075 | -0.034 | 39.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | C | 366 | PRO | 0 | -0.001 | 0.030 | 37.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | C | 367 | SER | 0 | 0.003 | -0.020 | 37.687 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | C | 368 | LEU | 0 | 0.042 | 0.009 | 31.705 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | C | 369 | GLU | -1 | -0.960 | -0.956 | 34.311 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | C | 370 | LEU | 0 | -0.019 | -0.018 | 36.142 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | C | 371 | SER | 0 | -0.032 | -0.012 | 30.495 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | C | 372 | ALA | 0 | 0.045 | 0.020 | 31.038 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | C | 373 | GLU | -1 | -0.903 | -0.960 | 31.721 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | C | 374 | TYR | 0 | -0.015 | -0.038 | 32.075 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | C | 375 | LEU | 0 | 0.016 | 0.044 | 25.134 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | C | 376 | GLN | 0 | -0.024 | 0.001 | 28.685 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | C | 377 | MET | 0 | -0.024 | -0.021 | 30.604 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | C | 378 | SER | 0 | -0.043 | -0.082 | 28.435 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | C | 379 | LEU | 0 | -0.019 | -0.004 | 23.813 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | C | 380 | GLU | -1 | -1.023 | -0.995 | 27.481 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | C | 381 | ALA | 0 | -0.090 | -0.028 | 30.396 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | C | 382 | ASN | 0 | -0.075 | -0.044 | 26.081 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | C | 383 | VAL | 0 | -0.005 | -0.004 | 21.846 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | C | 384 | VAL | 0 | -0.003 | -0.003 | 18.586 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | C | 385 | ASP | -1 | -0.873 | -0.936 | 17.483 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | C | 386 | ILE | 0 | -0.085 | -0.056 | 13.012 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | C | 387 | THR | 0 | -0.066 | -0.022 | 13.002 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | C | 388 | ASN | 0 | -0.074 | -0.038 | 12.005 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | C | 389 | ASP | -1 | -0.892 | -0.948 | 8.771 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | C | 390 | TRP | 0 | 0.016 | -0.010 | 11.619 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | C | 391 | GLU | -1 | -0.751 | -0.881 | 14.711 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | C | 392 | GLN | 0 | -0.017 | -0.010 | 15.450 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | C | 393 | PRO | 0 | 0.022 | 0.005 | 13.996 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | C | 394 | CYS | 0 | 0.001 | 0.011 | 17.074 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | C | 395 | VAL | 0 | 0.022 | 0.016 | 20.042 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | C | 396 | ASP | -1 | -0.895 | -0.952 | 18.323 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | C | 397 | ILE | 0 | -0.041 | -0.020 | 19.684 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | C | 398 | ILE | 0 | -0.011 | -0.011 | 22.741 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | C | 399 | SER | 0 | -0.107 | -0.054 | 24.101 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | C | 400 | GLY | 0 | 0.031 | 0.021 | 26.104 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | C | 401 | LYS | 1 | 0.843 | 0.929 | 20.967 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | C | 402 | ILE | 0 | 0.104 | 0.042 | 21.567 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | C | 403 | HIS | 0 | 0.011 | -0.005 | 19.894 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | C | 404 | SER | 0 | -0.065 | -0.032 | 17.679 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | C | 405 | ILE | 0 | 0.062 | 0.041 | 15.751 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | C | 406 | LEU | 0 | -0.019 | -0.009 | 14.246 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | C | 407 | PRO | 0 | -0.013 | -0.007 | 12.423 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | C | 408 | VAL | 0 | 0.052 | 0.027 | 9.952 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | C | 409 | MET | 0 | 0.023 | 0.007 | 9.516 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | C | 410 | GLU | -1 | -0.995 | -0.996 | 9.918 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | C | 411 | SER | 0 | -0.081 | -0.034 | 5.448 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | C | 412 | LEU | 0 | -0.040 | 0.004 | 5.834 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | C | 413 | ASP | -1 | -0.753 | -0.868 | 8.088 | -0.468 | -0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | C | 414 | SER | 0 | 0.019 | 0.027 | 10.121 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | C | 415 | CYS | 0 | -0.049 | -0.004 | 11.641 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | C | 416 | THR | 0 | 0.059 | 0.004 | 14.045 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | C | 417 | ALA | 0 | -0.016 | 0.019 | 12.831 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | C | 418 | ALA | 0 | 0.010 | 0.008 | 14.906 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | C | 419 | PHE | 0 | 0.027 | -0.011 | 17.265 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | C | 420 | THR | 0 | 0.010 | 0.017 | 17.635 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | C | 421 | ALA | 0 | 0.017 | -0.010 | 18.494 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | C | 422 | MET | 0 | -0.067 | -0.012 | 20.284 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | C | 423 | ILE | 0 | 0.034 | 0.014 | 22.924 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | C | 424 | CYS | 0 | -0.023 | -0.005 | 22.145 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | C | 425 | GLU | -1 | -0.911 | -0.954 | 24.679 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | C | 426 | ALA | 0 | -0.026 | -0.003 | 26.529 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | C | 427 | LYS | 1 | 0.807 | 0.896 | 27.763 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | C | 428 | GLY | 0 | -0.028 | 0.008 | 28.853 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | C | 429 | LEU | 0 | -0.053 | -0.034 | 25.793 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | C | 430 | ILE | 0 | -0.062 | -0.026 | 22.350 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | C | 431 | GLU | -1 | -0.925 | -0.964 | 26.157 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | C | 432 | ASN | 0 | -0.023 | -0.029 | 27.442 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | C | 433 | ILE | 0 | 0.038 | 0.027 | 27.746 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | C | 434 | PHE | 0 | -0.095 | -0.023 | 28.404 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | C | 435 | GLU | -1 | -0.912 | -0.963 | 30.395 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | C | 436 | GLY | 0 | -0.086 | -0.025 | 33.295 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | C | 451 | LEU | 0 | -0.034 | -0.042 | 29.995 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | C | 452 | GLU | -1 | -0.999 | -0.995 | 32.049 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | C | 453 | ASP | -1 | -0.854 | -0.955 | 27.771 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | C | 454 | LEU | 0 | -0.055 | -0.023 | 24.798 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | C | 455 | PHE | 0 | 0.016 | 0.027 | 17.055 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | C | 456 | SER | 0 | -0.035 | -0.019 | 22.242 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | C | 457 | TYR | 0 | 0.020 | 0.000 | 22.885 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | C | 458 | ARG | 1 | 0.928 | 0.960 | 23.986 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | C | 459 | ASN | 0 | -0.010 | -0.004 | 26.142 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | C | 460 | GLY | 0 | 0.084 | 0.039 | 25.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | C | 461 | MET | 0 | 0.013 | 0.005 | 16.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | C | 462 | ALA | 0 | 0.065 | 0.034 | 20.205 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | C | 463 | SER | 0 | -0.012 | -0.016 | 21.463 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | C | 464 | TYR | 0 | -0.060 | -0.020 | 16.408 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | C | 465 | MET | 0 | 0.054 | 0.031 | 14.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | C | 466 | LEU | 0 | 0.015 | 0.021 | 17.559 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | C | 467 | ASN | 0 | -0.017 | -0.023 | 19.818 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | C | 468 | SER | 0 | -0.017 | -0.008 | 15.412 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | C | 469 | PHE | 0 | 0.040 | 0.028 | 14.347 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | C | 470 | ALA | 0 | -0.002 | -0.001 | 16.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | C | 471 | PHE | 0 | -0.016 | -0.030 | 17.815 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | C | 472 | GLU | -1 | -0.921 | -0.954 | 11.399 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | C | 473 | LEU | 0 | -0.024 | -0.016 | 15.434 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | C | 474 | CYS | 0 | -0.054 | -0.009 | 17.690 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | C | 475 | SER | 0 | -0.001 | 0.013 | 15.868 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | C | 476 | LEU | 0 | -0.009 | 0.000 | 14.318 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | C | 477 | GLY | 0 | -0.030 | -0.030 | 17.090 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | C | 478 | ASP | -1 | -0.819 | -0.899 | 20.279 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | C | 479 | LYS | 1 | 0.847 | 0.908 | 21.800 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | C | 480 | GLU | -1 | -0.922 | -0.968 | 23.897 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | C | 481 | LEU | 0 | 0.018 | 0.014 | 19.094 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | C | 482 | TRP | 0 | -0.001 | 0.011 | 22.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | C | 483 | PRO | 0 | 0.002 | -0.010 | 24.431 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | C | 484 | VAL | 0 | 0.039 | 0.042 | 21.907 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | C | 485 | ALA | 0 | 0.002 | 0.012 | 21.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | C | 486 | ILE | 0 | -0.021 | -0.024 | 23.018 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | C | 487 | GLY | 0 | 0.023 | 0.007 | 26.502 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | C | 488 | LEU | 0 | 0.002 | -0.010 | 20.918 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | C | 489 | ILE | 0 | -0.001 | 0.010 | 23.589 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | C | 490 | ALA | 0 | -0.064 | -0.038 | 26.079 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | C | 491 | LEU | 0 | -0.034 | -0.021 | 28.400 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | C | 492 | SER | 0 | 0.026 | 0.042 | 26.432 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | C | 493 | ALA | 0 | 0.013 | 0.014 | 27.857 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | C | 494 | THR | 0 | -0.013 | 0.002 | 28.259 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | C | 495 | GLY | 0 | 0.050 | 0.025 | 29.318 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | C | 496 | THR | 0 | -0.007 | -0.011 | 31.095 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | C | 497 | ARG | 1 | 0.979 | 1.002 | 33.094 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | C | 498 | SER | 0 | -0.018 | -0.035 | 34.516 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | C | 499 | ALA | 0 | 0.092 | 0.048 | 30.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | C | 500 | LYS | 1 | 0.836 | 0.908 | 29.473 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | C | 501 | LYS | 1 | 0.901 | 0.963 | 30.390 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | C | 502 | MET | 0 | -0.010 | -0.012 | 31.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | C | 503 | VAL | 0 | 0.095 | 0.056 | 25.323 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | C | 504 | ILE | 0 | -0.008 | -0.004 | 27.181 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | C | 505 | ALA | 0 | -0.070 | -0.044 | 29.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | C | 506 | GLU | -1 | -0.946 | -0.965 | 27.028 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | C | 507 | LEU | 0 | -0.030 | -0.007 | 22.716 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | C | 508 | LEU | 0 | 0.004 | -0.006 | 26.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | C | 509 | PRO | 0 | -0.040 | -0.024 | 28.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | C | 510 | HIS | 0 | -0.036 | -0.015 | 24.126 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | C | 511 | TYR | 0 | -0.036 | -0.011 | 25.271 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | C | 512 | PRO | 0 | -0.021 | -0.011 | 23.724 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | C | 513 | PHE | 0 | -0.033 | -0.014 | 26.936 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | C | 514 | VAL | 0 | -0.060 | -0.041 | 29.932 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | C | 515 | THR | 0 | -0.058 | -0.022 | 32.556 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | C | 516 | ASN | 0 | 0.029 | 0.007 | 35.153 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | C | 517 | ASP | -1 | -0.834 | -0.927 | 35.691 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | C | 518 | ASP | -1 | -0.771 | -0.875 | 31.514 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | C | 519 | ILE | 0 | 0.002 | -0.005 | 33.477 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | C | 520 | GLU | -1 | -0.961 | -0.989 | 35.479 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | C | 521 | TRP | 0 | 0.026 | 0.028 | 28.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | C | 522 | MET | 0 | 0.031 | 0.031 | 31.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | C | 523 | LEU | 0 | 0.022 | 0.006 | 33.555 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | C | 524 | SER | 0 | -0.057 | -0.028 | 35.555 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | C | 525 | ILE | 0 | 0.102 | 0.048 | 30.825 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | C | 526 | CYS | 0 | -0.051 | -0.024 | 34.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | C | 527 | VAL | 0 | -0.088 | -0.042 | 36.493 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | C | 528 | GLU | -1 | -0.978 | -0.982 | 34.976 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | C | 529 | TRP | 0 | -0.026 | -0.013 | 32.594 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | C | 530 | ARG | 1 | 0.861 | 0.928 | 36.786 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | C | 531 | LEU | 0 | 0.030 | 0.014 | 33.522 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | C | 532 | PRO | 0 | -0.012 | -0.014 | 37.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | C | 533 | GLU | -1 | -0.934 | -0.976 | 37.617 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | C | 534 | ILE | 0 | 0.098 | 0.062 | 33.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | C | 535 | ALA | 0 | 0.015 | 0.000 | 36.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | C | 536 | LYS | 1 | 0.891 | 0.948 | 38.023 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | C | 537 | GLU | -1 | -0.904 | -0.928 | 34.975 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | C | 538 | ILE | 0 | 0.011 | 0.003 | 33.025 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | C | 539 | TYR | 0 | 0.017 | -0.010 | 35.840 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | C | 540 | THR | 0 | -0.065 | -0.063 | 38.835 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | C | 541 | THR | 0 | -0.039 | -0.018 | 33.876 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | C | 542 | LEU | 0 | -0.030 | 0.004 | 36.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | C | 543 | GLY | 0 | -0.052 | -0.012 | 38.732 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | C | 544 | ASN | 0 | -0.085 | -0.031 | 38.768 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |