FMODB ID: 14RNZ
Calculation Name: 4IN3-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4IN3
Chain ID: B
UniProt ID: Q05029
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 | 604 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -13987372.84049 |
---|---|
FMO2-HF: Nuclear repulsion | 13744469.406065 |
FMO2-HF: Total energy | -242903.434425 |
FMO2-MP2: Total energy | -243611.714812 |
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(B:2:LEU)
Summations of interaction energy for
fragment #1(B:2:LEU)
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. |
-8.822 | -4.71 | 4.037 | -3.009 | -5.136 | -0.02 |
Interaction energy analysis for fragmet #1(B:2:LEU)
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 | B | 4 | GLN | 0 | 0.011 | 0.020 | 3.890 | -0.886 | 0.627 | -0.016 | -0.732 | -0.765 | 0.002 |
4 | B | 5 | THR | 0 | 0.010 | -0.011 | 2.171 | -2.874 | -2.853 | 3.244 | -1.307 | -1.957 | -0.018 |
5 | B | 6 | SER | 0 | -0.080 | -0.046 | 3.597 | -0.978 | -0.529 | 0.008 | -0.176 | -0.281 | -0.001 |
6 | B | 7 | ILE | 0 | 0.029 | 0.022 | 5.483 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | PRO | 0 | -0.020 | 0.002 | 7.802 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | GLU | -1 | -0.954 | -0.979 | 11.363 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | VAL | 0 | -0.008 | -0.016 | 14.551 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | LYS | 1 | 0.835 | 0.925 | 18.373 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | GLU | -1 | -0.782 | -0.900 | 20.558 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | ASP | -1 | -0.893 | -0.939 | 22.918 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | VAL | 0 | -0.036 | -0.021 | 26.392 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | ILE | 0 | 0.022 | 0.010 | 23.539 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | GLY | 0 | 0.022 | 0.014 | 24.000 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | TYR | 0 | -0.041 | -0.020 | 25.127 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | 0.041 | 0.022 | 21.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | LEU | 0 | 0.041 | 0.014 | 22.510 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | HIS | 0 | -0.016 | 0.004 | 25.555 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | GLN | 0 | 0.018 | 0.005 | 26.342 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.807 | 0.877 | 20.847 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | ARG | 1 | 0.855 | 0.923 | 26.829 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | ALA | 0 | -0.016 | -0.011 | 29.956 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | ARG | 1 | 0.828 | 0.911 | 27.801 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | VAL | 0 | 0.044 | 0.022 | 28.685 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | GLY | 0 | 0.011 | 0.014 | 30.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | GLN | 0 | -0.100 | -0.045 | 31.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | PHE | 0 | 0.011 | 0.018 | 26.628 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | GLN | 0 | -0.010 | -0.025 | 29.234 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | ASP | -1 | -0.863 | -0.931 | 26.547 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | LEU | 0 | -0.004 | -0.006 | 23.314 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | GLY | 0 | 0.006 | 0.017 | 24.020 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | PRO | 0 | -0.032 | -0.005 | 22.392 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | PRO | 0 | 0.019 | 0.009 | 16.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | ASP | -1 | -0.763 | -0.842 | 16.091 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | LEU | 0 | -0.031 | -0.001 | 16.167 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | ILE | 0 | -0.012 | -0.006 | 12.501 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | THR | 0 | 0.021 | 0.013 | 16.307 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 91 | PHE | 0 | -0.040 | -0.049 | 16.810 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 92 | PHE | 0 | -0.003 | 0.011 | 10.587 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 93 | TYR | 0 | 0.013 | -0.005 | 14.858 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 94 | CYS | 0 | -0.019 | -0.004 | 10.908 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 95 | MET | 0 | -0.040 | -0.014 | 11.384 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 96 | GLY | 0 | 0.058 | 0.032 | 10.685 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 97 | ILE | 0 | -0.037 | -0.003 | 11.125 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 98 | ASP | -1 | -0.763 | -0.836 | 12.876 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 99 | THR | 0 | -0.009 | -0.028 | 15.098 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 100 | SER | 0 | -0.076 | -0.065 | 18.432 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 101 | ASP | -1 | -0.829 | -0.889 | 19.836 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 102 | PRO | 0 | -0.002 | 0.002 | 19.830 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 103 | THR | 0 | -0.059 | -0.053 | 19.862 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 104 | SER | 0 | 0.019 | -0.005 | 15.695 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 105 | ILE | 0 | 0.028 | 0.031 | 15.101 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 106 | THR | 0 | -0.090 | -0.062 | 15.315 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 107 | ILE | 0 | -0.026 | -0.013 | 13.234 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 108 | PHE | 0 | 0.044 | 0.016 | 8.669 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 109 | ALA | 0 | 0.015 | 0.001 | 10.801 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 110 | LYS | 1 | 0.764 | 0.874 | 12.833 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 111 | LYS | 1 | 0.841 | 0.905 | 7.926 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 112 | ILE | 0 | -0.009 | -0.005 | 7.483 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 113 | THR | 0 | -0.063 | -0.037 | 9.493 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 114 | ASP | -1 | -0.822 | -0.889 | 10.846 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 115 | LEU | 0 | -0.064 | -0.024 | 4.889 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 116 | PHE | 0 | -0.048 | -0.011 | 8.637 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 135 | ILE | 0 | 0.002 | 0.000 | 14.869 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 136 | SER | 0 | -0.023 | -0.022 | 18.618 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 137 | ILE | 0 | 0.016 | 0.014 | 15.536 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 138 | SER | 0 | -0.062 | -0.028 | 18.836 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 139 | SER | 0 | -0.005 | -0.028 | 19.575 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 140 | TRP | 0 | 0.045 | 0.017 | 21.299 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 141 | ASN | 0 | 0.025 | 0.017 | 23.315 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 142 | ALA | 0 | 0.051 | 0.020 | 26.081 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 143 | PHE | 0 | -0.020 | -0.016 | 26.274 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 144 | ARG | 1 | 0.835 | 0.908 | 30.497 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 145 | LYS | 1 | 0.848 | 0.947 | 30.131 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 146 | TYR | 0 | 0.008 | 0.004 | 28.470 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 147 | ASP | -1 | -0.765 | -0.863 | 24.789 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 148 | VAL | 0 | -0.017 | 0.001 | 23.868 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 149 | ASN | 0 | -0.040 | -0.026 | 23.105 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 150 | ILE | 0 | 0.019 | 0.004 | 19.802 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 151 | ILE | 0 | -0.003 | 0.011 | 21.040 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 152 | VAL | 0 | -0.007 | 0.006 | 18.688 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 153 | HIS | 0 | 0.029 | 0.001 | 20.751 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 154 | ILE | 0 | 0.048 | 0.024 | 23.057 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 155 | PRO | 0 | -0.040 | -0.024 | 25.716 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 156 | GLY | 0 | 0.020 | 0.021 | 27.220 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 157 | THR | 0 | -0.105 | -0.054 | 26.466 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 158 | VAL | 0 | 0.027 | 0.008 | 22.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 159 | GLN | 0 | 0.018 | 0.018 | 24.809 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 160 | THR | 0 | 0.000 | -0.004 | 24.133 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 161 | TYR | 0 | -0.072 | -0.048 | 25.945 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 162 | ILE | 0 | -0.009 | -0.001 | 27.215 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 163 | ILE | 0 | 0.009 | 0.010 | 28.870 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 164 | ASN | 0 | 0.017 | -0.001 | 30.525 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 165 | SER | 0 | 0.046 | -0.008 | 33.169 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 166 | ASP | -1 | -0.930 | -0.947 | 34.476 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 167 | GLY | 0 | 0.030 | 0.030 | 33.706 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 168 | GLU | -1 | -0.921 | -0.973 | 34.706 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 169 | GLN | 0 | -0.041 | -0.011 | 30.461 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 170 | SER | 0 | -0.033 | -0.015 | 32.590 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 171 | GLN | 0 | 0.009 | 0.006 | 29.877 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 172 | LEU | 0 | 0.025 | 0.018 | 26.933 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 173 | PRO | 0 | -0.047 | -0.019 | 29.323 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 187 | LEU | 0 | 0.049 | 0.010 | 33.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 188 | ASN | 0 | 0.006 | -0.011 | 32.072 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 189 | VAL | 0 | 0.038 | 0.024 | 28.570 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 190 | ASN | 0 | 0.032 | 0.009 | 27.575 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 191 | MET | 0 | 0.003 | 0.008 | 27.522 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 192 | ILE | 0 | -0.025 | -0.005 | 27.003 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 193 | TRP | 0 | 0.056 | 0.029 | 21.923 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 194 | ALA | 0 | 0.057 | 0.030 | 23.606 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 195 | GLU | -1 | -0.777 | -0.879 | 24.822 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 196 | THR | 0 | 0.015 | 0.015 | 22.189 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 197 | PHE | 0 | -0.008 | 0.017 | 17.468 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 198 | MET | 0 | -0.049 | -0.007 | 20.610 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 199 | SER | 0 | -0.041 | -0.058 | 22.649 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 200 | GLY | 0 | 0.048 | 0.035 | 19.136 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 201 | ILE | 0 | 0.035 | 0.017 | 16.372 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 202 | VAL | 0 | -0.034 | -0.025 | 18.769 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 203 | ARG | 1 | 0.789 | 0.884 | 19.026 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 204 | ASP | -1 | -0.795 | -0.910 | 14.902 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 205 | ILE | 0 | -0.022 | -0.011 | 16.310 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 206 | MET | 0 | -0.048 | -0.018 | 18.514 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 207 | ILE | 0 | -0.020 | 0.009 | 16.489 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 208 | MET | 0 | 0.007 | 0.014 | 15.424 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 209 | LYS | 1 | 0.792 | 0.892 | 18.572 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 210 | ASP | -1 | -0.785 | -0.881 | 22.156 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 211 | ASN | 0 | -0.042 | -0.028 | 20.503 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 212 | ARG | 1 | 0.893 | 0.951 | 21.431 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 213 | ALA | 0 | -0.047 | -0.027 | 22.474 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 214 | ASP | -1 | -0.878 | -0.918 | 23.855 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 215 | GLY | 0 | -0.001 | 0.002 | 21.341 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 216 | GLU | -1 | -0.787 | -0.878 | 16.328 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 217 | SER | 0 | -0.061 | -0.019 | 17.302 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 218 | GLN | 0 | 0.083 | 0.041 | 14.784 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 219 | ASN | 0 | -0.024 | -0.013 | 18.009 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 220 | LEU | 0 | -0.061 | -0.024 | 17.750 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 221 | VAL | 0 | 0.055 | 0.027 | 15.119 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 222 | GLU | -1 | -0.803 | -0.883 | 13.980 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 223 | THR | 0 | -0.051 | -0.036 | 12.917 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 224 | LEU | 0 | 0.019 | 0.028 | 5.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 225 | ILE | 0 | -0.054 | -0.042 | 8.523 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 226 | PHE | 0 | 0.065 | 0.032 | 4.641 | -0.244 | -0.092 | -0.001 | -0.005 | -0.146 | 0.000 |
144 | B | 227 | ASN | 0 | 0.022 | 0.004 | 7.641 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 228 | PRO | 0 | 0.032 | 0.025 | 9.730 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 229 | PHE | 0 | -0.047 | -0.034 | 12.690 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 230 | THR | 0 | -0.030 | -0.014 | 8.445 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 231 | SER | 0 | -0.031 | -0.023 | 9.649 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 232 | GLY | 0 | -0.002 | 0.000 | 10.555 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 233 | GLU | -1 | -0.799 | -0.889 | 12.072 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 234 | LEU | 0 | -0.062 | -0.037 | 14.771 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 235 | GLU | -1 | -0.805 | -0.891 | 17.447 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 236 | ASP | -1 | -0.809 | -0.879 | 16.791 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 237 | VAL | 0 | 0.051 | 0.023 | 14.011 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 238 | ALA | 0 | 0.029 | 0.023 | 17.341 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 239 | ASN | 0 | -0.021 | -0.041 | 19.761 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 240 | ASN | 0 | 0.003 | -0.003 | 20.327 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 241 | PHE | 0 | 0.042 | 0.014 | 20.987 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 242 | ILE | 0 | -0.027 | -0.020 | 22.847 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 243 | LYS | 1 | 0.734 | 0.839 | 23.033 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 244 | LEU | 0 | 0.016 | 0.005 | 23.702 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 245 | PHE | 0 | 0.042 | 0.026 | 27.085 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 246 | PRO | 0 | -0.018 | -0.021 | 28.466 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 247 | LEU | 0 | -0.039 | -0.005 | 29.204 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 248 | VAL | 0 | -0.036 | -0.033 | 27.360 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 249 | TYR | 0 | -0.011 | -0.032 | 30.774 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 250 | GLU | -1 | -0.862 | -0.905 | 32.820 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 251 | LYS | 1 | 0.780 | 0.867 | 32.048 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 252 | GLY | 0 | 0.032 | 0.012 | 30.928 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 253 | VAL | 0 | 0.019 | 0.004 | 31.609 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 254 | TYR | 0 | -0.050 | -0.019 | 32.786 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 255 | LEU | 0 | -0.027 | -0.006 | 26.617 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 256 | ASP | -1 | -0.781 | -0.863 | 29.771 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 257 | ALA | 0 | -0.033 | -0.030 | 30.658 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 258 | PRO | 0 | 0.049 | 0.024 | 28.209 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 259 | THR | 0 | 0.001 | 0.005 | 30.119 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 260 | HIS | 0 | -0.023 | -0.012 | 29.583 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 261 | VAL | 0 | 0.011 | 0.011 | 33.196 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 262 | LEU | 0 | 0.004 | 0.000 | 35.504 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 263 | ASN | 0 | -0.092 | -0.044 | 38.526 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 264 | PRO | 0 | 0.023 | 0.020 | 35.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 265 | SER | 0 | -0.040 | -0.043 | 36.016 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 266 | LEU | 0 | 0.020 | 0.012 | 35.563 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 267 | THR | 0 | -0.034 | -0.031 | 34.734 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 268 | ASN | 0 | -0.057 | -0.039 | 33.281 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 269 | ASN | 0 | 0.022 | -0.008 | 30.849 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 270 | TYR | 0 | 0.003 | -0.038 | 26.077 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 271 | LEU | 0 | 0.014 | 0.038 | 26.117 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 272 | VAL | 0 | -0.026 | -0.012 | 26.865 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 273 | GLU | -1 | -0.822 | -0.896 | 26.631 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 274 | THR | 0 | 0.043 | 0.009 | 21.516 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 275 | LEU | 0 | -0.003 | 0.001 | 23.468 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 276 | VAL | 0 | -0.024 | -0.013 | 25.228 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 277 | GLU | -1 | -0.813 | -0.889 | 21.502 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 278 | ILE | 0 | 0.027 | 0.006 | 19.706 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 279 | VAL | 0 | -0.018 | -0.014 | 21.527 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 280 | ARG | 1 | 0.735 | 0.845 | 21.515 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 281 | LEU | 0 | -0.060 | -0.022 | 18.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 282 | THR | 0 | 0.040 | 0.025 | 18.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 283 | LYS | 1 | 0.845 | 0.922 | 20.626 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 284 | SER | 0 | 0.039 | 0.029 | 22.827 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 285 | LEU | 0 | -0.012 | -0.021 | 25.008 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 286 | GLU | -1 | -0.882 | -0.945 | 27.311 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 287 | ALA | 0 | -0.007 | -0.009 | 26.629 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 288 | CYS | 0 | 0.007 | 0.012 | 27.603 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 289 | ARG | 1 | 0.857 | 0.919 | 29.373 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 290 | LYS | 1 | 0.923 | 0.963 | 31.898 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 291 | MET | 0 | -0.067 | -0.006 | 28.911 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 292 | LEU | 0 | 0.080 | 0.016 | 31.641 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 293 | LYS | 1 | 0.833 | 0.911 | 34.297 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 294 | LYS | 1 | 0.935 | 0.987 | 35.225 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 295 | LEU | 0 | -0.009 | 0.005 | 33.793 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 296 | ILE | 0 | 0.024 | 0.000 | 37.053 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 297 | GLU | -1 | -0.922 | -0.962 | 39.931 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 298 | ILE | 0 | -0.072 | -0.026 | 39.238 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 299 | HIS | 1 | 0.787 | 0.885 | 38.864 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 300 | PRO | 0 | 0.080 | 0.040 | 40.039 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 301 | GLU | -1 | -0.758 | -0.857 | 39.360 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 302 | ALA | 0 | 0.008 | 0.001 | 36.106 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 303 | VAL | 0 | -0.011 | -0.007 | 36.686 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 304 | ILE | 0 | -0.013 | -0.001 | 37.409 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 305 | ILE | 0 | -0.010 | -0.001 | 32.029 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 306 | LEU | 0 | -0.005 | 0.004 | 33.464 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 307 | ILE | 0 | -0.005 | 0.002 | 34.753 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 308 | ARG | 1 | 0.822 | 0.888 | 30.512 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 309 | VAL | 0 | 0.024 | 0.005 | 29.411 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 310 | TYR | 0 | 0.009 | -0.009 | 31.003 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 311 | PHE | 0 | -0.002 | 0.001 | 33.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 312 | ALA | 0 | -0.016 | 0.004 | 27.839 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 313 | CYS | 0 | -0.061 | -0.030 | 28.154 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 314 | ASP | -1 | -0.817 | -0.892 | 29.495 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 315 | LEU | 0 | -0.038 | -0.008 | 32.510 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 316 | GLU | -1 | -0.801 | -0.900 | 35.431 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 317 | ILE | 0 | 0.007 | 0.006 | 37.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 318 | ASP | -1 | -0.788 | -0.880 | 37.807 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 319 | ALA | 0 | -0.006 | -0.002 | 37.211 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 320 | VAL | 0 | -0.010 | -0.011 | 39.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 321 | ASP | -1 | -0.888 | -0.936 | 42.551 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 322 | LEU | 0 | -0.035 | -0.009 | 39.297 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 323 | ILE | 0 | 0.023 | -0.005 | 40.166 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 324 | ASN | 0 | -0.068 | -0.038 | 43.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 325 | GLU | -1 | -0.850 | -0.906 | 45.848 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 326 | GLN | 0 | -0.054 | -0.051 | 43.280 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 327 | LEU | 0 | -0.020 | -0.010 | 45.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 328 | ASN | 0 | -0.085 | -0.034 | 48.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 329 | SER | 0 | 0.005 | -0.006 | 50.426 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 330 | PRO | 0 | -0.051 | -0.039 | 52.021 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 331 | SER | 0 | 0.002 | 0.006 | 50.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 332 | SER | 0 | -0.010 | 0.026 | 48.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 333 | PHE | 0 | 0.030 | 0.002 | 43.108 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 334 | LEU | 0 | -0.024 | -0.012 | 45.903 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 335 | ALA | 0 | -0.092 | -0.038 | 49.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 336 | ASP | -1 | -0.812 | -0.899 | 50.745 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 337 | ASP | -1 | -0.932 | -0.950 | 53.315 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 338 | SER | 0 | -0.051 | -0.042 | 53.564 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 339 | LYS | 1 | 0.907 | 0.966 | 51.932 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 340 | THR | 0 | 0.015 | 0.015 | 49.206 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 341 | SER | 0 | -0.061 | -0.037 | 50.103 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 342 | HIS | 0 | 0.047 | 0.009 | 47.293 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 343 | ILE | 0 | 0.042 | 0.021 | 44.170 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 344 | GLN | 0 | 0.012 | -0.022 | 45.149 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 345 | LEU | 0 | -0.029 | 0.006 | 47.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 346 | ILE | 0 | 0.029 | 0.013 | 41.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 347 | PHE | 0 | 0.047 | 0.034 | 40.043 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 348 | LYS | 1 | 0.906 | 0.936 | 43.221 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 349 | SER | 0 | -0.048 | -0.044 | 43.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 350 | GLU | -1 | -0.744 | -0.818 | 38.745 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 351 | LEU | 0 | 0.028 | 0.011 | 40.306 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 352 | LEU | 0 | 0.017 | 0.011 | 42.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 353 | SER | 0 | -0.039 | -0.038 | 39.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 354 | ILE | 0 | -0.014 | -0.007 | 36.645 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 355 | GLN | 0 | 0.022 | 0.010 | 39.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 356 | SER | 0 | -0.057 | -0.038 | 42.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 357 | GLU | -1 | -0.795 | -0.892 | 35.583 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 358 | PHE | 0 | -0.006 | -0.006 | 37.362 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 359 | LEU | 0 | -0.037 | -0.024 | 38.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 360 | LEU | 0 | -0.040 | 0.003 | 39.893 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 361 | ASP | -1 | -0.792 | -0.862 | 35.314 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 362 | VAL | 0 | 0.024 | 0.011 | 35.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 363 | LYS | 1 | 0.851 | 0.900 | 38.153 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 364 | ARG | 1 | 0.877 | 0.960 | 41.489 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 365 | ASP | -1 | -0.800 | -0.927 | 43.130 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 366 | TYR | 0 | 0.066 | 0.014 | 43.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 367 | LYS | 1 | 0.898 | 0.962 | 47.051 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 368 | LEU | 0 | 0.019 | 0.010 | 48.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 369 | ALA | 0 | 0.049 | 0.033 | 44.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 370 | LYS | 1 | 0.857 | 0.918 | 46.098 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 371 | GLU | -1 | -0.857 | -0.928 | 48.476 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 372 | VAL | 0 | 0.019 | 0.019 | 45.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 373 | ALA | 0 | 0.023 | 0.013 | 45.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 374 | MET | 0 | -0.065 | -0.026 | 46.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 375 | GLU | -1 | -0.789 | -0.865 | 49.853 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 376 | ALA | 0 | 0.002 | 0.006 | 44.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 377 | VAL | 0 | -0.019 | -0.020 | 46.293 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 378 | ASN | 0 | -0.076 | -0.054 | 47.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 379 | CYS | 0 | -0.112 | -0.039 | 47.103 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 380 | ALA | 0 | 0.044 | 0.019 | 44.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 381 | PRO | 0 | -0.002 | 0.028 | 45.445 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 382 | ASN | 0 | -0.046 | -0.030 | 44.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 383 | GLU | -1 | -0.754 | -0.872 | 39.065 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 384 | PHE | 0 | 0.007 | -0.009 | 36.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 385 | LYS | 1 | 0.820 | 0.878 | 34.981 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 386 | THR | 0 | 0.015 | 0.007 | 39.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 387 | TRP | 0 | 0.053 | -0.002 | 42.830 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 388 | TYR | 0 | -0.032 | -0.003 | 35.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 389 | LEU | 0 | 0.003 | -0.001 | 38.494 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 390 | LEU | 0 | 0.024 | 0.010 | 41.501 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 391 | THR | 0 | -0.038 | -0.023 | 43.263 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 392 | ARG | 1 | 0.794 | 0.864 | 36.273 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 393 | ILE | 0 | -0.002 | 0.008 | 42.553 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 394 | TYR | 0 | -0.017 | -0.021 | 45.257 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 395 | ILE | 0 | -0.009 | -0.008 | 42.908 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 396 | LYS | 1 | 0.835 | 0.904 | 39.815 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 397 | LEU | 0 | -0.085 | -0.034 | 45.811 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 398 | ASN | 0 | -0.043 | -0.016 | 48.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 399 | ASP | -1 | -0.799 | -0.888 | 50.223 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 400 | MET | 0 | 0.028 | 0.014 | 47.460 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 401 | SER | 0 | -0.067 | -0.025 | 50.745 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 402 | ASN | 0 | -0.050 | -0.048 | 51.735 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 403 | ALA | 0 | 0.042 | 0.041 | 46.967 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 404 | LEU | 0 | -0.002 | -0.003 | 47.825 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 405 | LEU | 0 | -0.068 | -0.032 | 49.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 406 | SER | 0 | 0.007 | -0.021 | 46.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 407 | LEU | 0 | 0.005 | 0.015 | 42.709 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 408 | ASN | 0 | 0.007 | -0.022 | 45.758 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 409 | ALA | 0 | -0.046 | -0.011 | 48.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 410 | CYS | 0 | -0.045 | 0.004 | 42.260 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 411 | PRO | 0 | 0.002 | 0.018 | 42.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 412 | MET | 0 | 0.013 | 0.028 | 40.284 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 413 | SER | 0 | 0.000 | -0.024 | 35.593 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 414 | GLN | 0 | -0.061 | -0.041 | 37.482 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 415 | VAL | 0 | -0.018 | -0.005 | 37.211 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 416 | LYS | 1 | 0.795 | 0.906 | 32.434 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 417 | GLU | -1 | -0.798 | -0.850 | 29.800 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 418 | LYS | 1 | 0.764 | 0.859 | 24.318 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 419 | TYR | 0 | -0.005 | -0.020 | 20.363 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 420 | VAL | 0 | -0.003 | -0.011 | 22.217 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 421 | LEU | 0 | 0.034 | 0.027 | 16.366 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 422 | ARG | 1 | 0.808 | 0.866 | 20.982 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 423 | ARG | 1 | 0.835 | 0.903 | 20.359 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 424 | ILE | 0 | 0.037 | 0.021 | 22.523 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 425 | ALA | 0 | 0.017 | 0.001 | 23.892 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 426 | PRO | 0 | -0.031 | -0.020 | 24.361 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 427 | ILE | 0 | 0.017 | 0.014 | 22.460 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 428 | THR | 0 | -0.028 | -0.019 | 26.943 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 429 | SER | 0 | -0.017 | -0.002 | 27.652 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 430 | ASP | -1 | -0.908 | -0.957 | 25.298 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 431 | GLU | -1 | -0.929 | -0.954 | 23.329 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 432 | ASN | 0 | -0.079 | -0.060 | 22.091 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 433 | LEU | 0 | 0.016 | 0.024 | 17.231 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 434 | HIS | 0 | 0.010 | 0.006 | 10.902 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 435 | LEU | 0 | -0.021 | -0.023 | 12.429 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 436 | PRO | 0 | -0.032 | 0.015 | 7.699 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 437 | LEU | 0 | 0.024 | -0.004 | 8.018 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 438 | PRO | 0 | 0.001 | 0.006 | 4.584 | -0.020 | 0.075 | -0.001 | -0.009 | -0.084 | 0.000 |
356 | B | 439 | LEU | 0 | -0.043 | -0.015 | 5.682 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 440 | ASP | -1 | -0.965 | -0.982 | 5.207 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 450 | ASN | 0 | -0.018 | -0.028 | 14.411 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 451 | PRO | 0 | -0.003 | 0.012 | 14.833 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 452 | MET | 0 | 0.001 | -0.021 | 13.850 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 453 | ASP | -1 | -0.918 | -0.944 | 17.627 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 454 | VAL | 0 | -0.003 | -0.008 | 20.009 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 455 | GLN | 0 | -0.061 | -0.035 | 21.641 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 456 | LEU | 0 | 0.013 | 0.015 | 19.375 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 457 | GLU | -1 | -0.917 | -0.975 | 23.881 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 458 | GLN | 0 | 0.012 | 0.021 | 27.116 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 459 | LYS | 1 | 0.794 | 0.883 | 27.263 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 460 | SER | 0 | -0.012 | -0.006 | 32.380 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 461 | ALA | 0 | 0.048 | 0.016 | 34.115 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 462 | ASP | -1 | -0.776 | -0.875 | 36.221 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 463 | PRO | 0 | 0.015 | 0.006 | 38.576 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 464 | ASN | 0 | -0.045 | -0.032 | 40.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 465 | LEU | 0 | -0.023 | -0.006 | 35.488 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 466 | VAL | 0 | 0.001 | -0.015 | 33.244 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 467 | ASN | 0 | -0.089 | -0.041 | 35.244 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 468 | LEU | 0 | -0.018 | 0.008 | 36.634 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 469 | SER | 0 | 0.045 | 0.016 | 36.576 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 470 | ALA | 0 | -0.017 | -0.002 | 37.388 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 471 | SER | 0 | 0.001 | 0.006 | 31.937 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 472 | SER | 0 | -0.035 | -0.015 | 30.713 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 473 | LEU | 0 | 0.024 | 0.008 | 31.643 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 474 | LYS | 1 | 0.880 | 0.936 | 28.127 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 475 | SER | 0 | 0.042 | -0.004 | 31.619 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 476 | THR | 0 | 0.021 | -0.007 | 33.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 477 | PHE | 0 | 0.034 | 0.016 | 36.582 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 478 | GLN | 0 | 0.000 | 0.008 | 29.567 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 479 | LEU | 0 | -0.021 | -0.016 | 31.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 480 | ALA | 0 | 0.040 | 0.014 | 35.738 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 481 | TYR | 0 | -0.061 | -0.059 | 36.669 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 482 | LYS | 1 | 0.918 | 0.958 | 31.098 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 483 | LEU | 0 | -0.010 | 0.010 | 37.533 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 484 | LEU | 0 | -0.006 | 0.005 | 40.698 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 485 | THR | 0 | -0.016 | -0.020 | 38.158 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 486 | GLU | -1 | -0.820 | -0.893 | 39.503 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 487 | ILE | 0 | -0.004 | -0.018 | 41.646 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 488 | VAL | 0 | -0.035 | -0.013 | 43.656 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 489 | GLN | 0 | -0.014 | 0.009 | 41.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 490 | ILE | 0 | -0.001 | 0.011 | 44.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 491 | THR | 0 | -0.045 | -0.025 | 47.375 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 492 | GLY | 0 | 0.077 | 0.048 | 48.550 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 493 | TRP | 0 | 0.071 | 0.015 | 47.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 494 | GLU | -1 | -0.845 | -0.937 | 50.189 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 495 | GLN | 0 | -0.094 | -0.038 | 52.980 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 496 | LEU | 0 | 0.022 | 0.021 | 47.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 497 | LEU | 0 | 0.036 | 0.004 | 51.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 498 | LYS | 1 | 0.838 | 0.926 | 54.002 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 499 | TYR | 0 | 0.023 | 0.009 | 53.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 500 | ARG | 1 | 0.852 | 0.915 | 50.358 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 501 | SER | 0 | -0.005 | -0.005 | 54.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 502 | LYS | 1 | 0.928 | 0.975 | 57.858 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 503 | ILE | 0 | 0.000 | -0.011 | 53.342 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 504 | PHE | 0 | -0.003 | 0.014 | 51.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 505 | VAL | 0 | -0.015 | 0.006 | 56.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 532 | SER | 0 | -0.015 | -0.016 | 62.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 533 | LYS | 1 | 0.814 | 0.912 | 59.697 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 534 | ARG | 1 | 0.966 | 0.985 | 53.854 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 535 | LEU | 0 | 0.036 | 0.014 | 53.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 536 | CYS | 0 | -0.006 | 0.016 | 50.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 537 | GLU | -1 | -0.867 | -0.938 | 48.409 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 538 | ARG | 1 | 0.783 | 0.869 | 48.056 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 539 | TRP | 0 | 0.073 | 0.027 | 42.551 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 540 | LEU | 0 | 0.044 | 0.024 | 44.286 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 541 | ASP | -1 | -0.767 | -0.865 | 45.812 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 542 | ASN | 0 | -0.011 | -0.004 | 42.351 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 543 | LEU | 0 | 0.034 | 0.016 | 39.807 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 544 | PHE | 0 | 0.011 | -0.012 | 43.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 545 | MET | 0 | -0.041 | -0.013 | 45.917 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 546 | LEU | 0 | 0.032 | 0.017 | 39.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 547 | LEU | 0 | -0.001 | 0.012 | 41.777 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 548 | TYR | 0 | -0.051 | -0.023 | 43.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 549 | GLU | -1 | -0.867 | -0.941 | 41.665 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 550 | ASP | -1 | -0.678 | -0.800 | 38.005 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 551 | LEU | 0 | -0.023 | -0.015 | 40.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 552 | LYS | 1 | 0.791 | 0.903 | 43.834 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 553 | THR | 0 | 0.025 | 0.003 | 39.740 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 554 | TYR | 0 | 0.015 | 0.002 | 38.367 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 555 | THR | 0 | -0.048 | -0.036 | 41.355 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 556 | ASP | -1 | -0.822 | -0.892 | 44.034 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 557 | TRP | 0 | 0.009 | 0.009 | 36.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 558 | GLN | 0 | -0.005 | -0.024 | 39.827 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 559 | SER | 0 | -0.083 | -0.044 | 43.079 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 560 | GLU | -1 | -0.877 | -0.936 | 42.122 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 561 | GLN | 0 | -0.035 | -0.034 | 38.961 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 562 | LEU | 0 | 0.008 | 0.003 | 42.836 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 563 | TYR | 0 | -0.053 | -0.019 | 45.720 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 564 | PHE | 0 | -0.017 | -0.024 | 43.222 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 565 | ASP | -1 | -0.835 | -0.917 | 41.518 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 566 | ALA | 0 | -0.042 | -0.007 | 44.399 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 567 | GLN | 0 | -0.063 | -0.038 | 46.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 568 | ASN | 0 | -0.035 | -0.007 | 43.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 569 | SER | 0 | 0.068 | 0.050 | 41.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 570 | LYS | 1 | 0.773 | 0.873 | 41.278 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 571 | TYR | 0 | 0.057 | 0.022 | 36.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 572 | HIS | 0 | 0.022 | 0.002 | 36.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 573 | LYS | 1 | 0.824 | 0.943 | 35.834 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 574 | LEU | 0 | 0.015 | 0.012 | 32.015 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 575 | THR | 0 | -0.032 | -0.051 | 27.245 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 576 | VAL | 0 | 0.057 | 0.030 | 28.018 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 577 | GLU | -1 | -0.828 | -0.915 | 29.990 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 578 | TRP | 0 | 0.009 | 0.004 | 30.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 579 | GLU | -1 | -0.793 | -0.860 | 25.096 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 580 | LEU | 0 | 0.007 | 0.004 | 29.336 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 581 | PHE | 0 | 0.008 | 0.011 | 32.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 582 | GLY | 0 | 0.046 | 0.022 | 31.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 583 | LEU | 0 | -0.015 | -0.024 | 27.621 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 584 | CYS | 0 | -0.109 | -0.046 | 31.568 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 585 | ALA | 0 | 0.024 | 0.007 | 34.626 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 586 | LYS | 1 | 0.885 | 0.937 | 27.557 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 587 | ARG | 1 | 0.763 | 0.879 | 32.889 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 588 | LEU | 0 | -0.013 | -0.002 | 35.151 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 589 | GLY | 0 | 0.016 | 0.016 | 36.610 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 590 | HIS | 1 | 0.744 | 0.855 | 37.122 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 591 | LEU | 0 | 0.074 | 0.033 | 32.382 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 592 | PRO | 0 | 0.045 | 0.026 | 33.043 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 593 | GLU | -1 | -0.846 | -0.927 | 34.578 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 594 | ALA | 0 | 0.002 | 0.000 | 31.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 595 | ALA | 0 | -0.005 | 0.009 | 29.788 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 596 | LYS | 1 | 0.935 | 0.967 | 30.216 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 597 | ALA | 0 | 0.031 | 0.029 | 31.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 598 | PHE | 0 | 0.023 | -0.013 | 26.740 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 599 | GLN | 0 | 0.034 | 0.021 | 27.271 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 600 | ILE | 0 | 0.004 | 0.019 | 28.407 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 601 | GLY | 0 | 0.029 | 0.024 | 28.486 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 602 | LEU | 0 | -0.083 | -0.042 | 21.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 603 | SER | 0 | -0.060 | -0.038 | 24.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 604 | GLN | 0 | -0.048 | -0.034 | 27.491 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 605 | ARG | 0 | 0.072 | 0.082 | 23.245 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 606 | PHE | 0 | 0.060 | 0.033 | 17.000 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 607 | SER | 0 | -0.012 | -0.049 | 21.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 608 | PRO | 0 | 0.046 | 0.036 | 17.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 609 | VAL | 0 | 0.027 | 0.016 | 19.303 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 610 | CYS | 0 | -0.045 | -0.008 | 22.701 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 611 | ALA | 0 | 0.044 | 0.025 | 19.407 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 612 | LYS | 1 | 0.926 | 0.960 | 15.895 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 613 | ASN | 0 | -0.054 | -0.034 | 20.968 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 614 | LEU | 0 | -0.015 | 0.004 | 24.081 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 615 | LEU | 0 | 0.021 | 0.022 | 18.680 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 616 | GLN | 0 | -0.074 | -0.047 | 22.839 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 617 | PHE | 0 | 0.007 | -0.006 | 24.822 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 618 | TYR | 0 | 0.007 | -0.015 | 25.056 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 619 | ILE | 0 | 0.024 | 0.020 | 22.599 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 620 | ASP | -1 | -0.825 | -0.897 | 26.202 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 621 | GLU | -1 | -0.800 | -0.873 | 29.625 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 622 | HIS | 0 | -0.026 | -0.006 | 27.176 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 623 | LYS | 1 | 0.853 | 0.912 | 27.475 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 624 | ARG | 1 | 0.733 | 0.834 | 31.293 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 625 | ILE | 0 | 0.025 | 0.013 | 32.709 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 626 | ARG | 1 | 0.805 | 0.862 | 29.725 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 627 | ARG | 1 | 0.870 | 0.938 | 34.775 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 628 | ASP | -1 | -0.850 | -0.932 | 36.925 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 629 | SER | 0 | -0.027 | -0.024 | 37.352 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 630 | VAL | 0 | -0.054 | -0.008 | 37.652 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 631 | SER | 0 | -0.056 | -0.035 | 40.528 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 632 | ALA | 0 | -0.013 | 0.000 | 42.523 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 633 | ASN | 0 | -0.059 | -0.026 | 44.351 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 634 | SER | 0 | -0.010 | 0.006 | 43.087 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 635 | GLU | -1 | -0.944 | -0.958 | 42.521 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 636 | LEU | 0 | -0.037 | -0.015 | 38.139 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 637 | THR | 0 | -0.005 | -0.037 | 42.128 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 638 | SER | 0 | 0.062 | 0.007 | 39.928 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 639 | SER | 0 | 0.008 | 0.008 | 38.554 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 640 | GLN | 0 | 0.043 | 0.062 | 37.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 641 | ILE | 0 | 0.017 | 0.035 | 35.653 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 642 | LEU | 0 | -0.011 | -0.014 | 34.169 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 643 | SER | 0 | -0.044 | -0.031 | 32.901 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 644 | SER | 0 | 0.011 | -0.014 | 32.138 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 645 | ILE | 0 | 0.003 | 0.009 | 29.304 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 646 | ASN | 0 | -0.048 | -0.045 | 26.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 647 | ASP | -1 | -0.910 | -0.954 | 27.309 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 648 | ILE | 0 | -0.032 | -0.015 | 26.658 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 649 | ASP | -1 | -0.779 | -0.866 | 24.264 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 650 | SER | 0 | -0.027 | -0.041 | 22.564 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 651 | SER | 0 | -0.104 | -0.053 | 22.011 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 652 | ILE | 0 | 0.010 | -0.007 | 20.383 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 653 | ILE | 0 | 0.023 | 0.009 | 17.357 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 654 | ASP | -1 | -0.821 | -0.900 | 17.198 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 655 | LEU | 0 | -0.012 | -0.011 | 17.675 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 656 | VAL | 0 | 0.001 | -0.003 | 14.348 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 657 | VAL | 0 | 0.016 | 0.014 | 12.531 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 658 | LYS | 1 | 0.803 | 0.889 | 12.548 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 659 | ILE | 0 | -0.037 | -0.020 | 13.972 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 660 | CYS | 0 | 0.023 | 0.015 | 8.430 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 661 | CYS | 0 | -0.036 | 0.003 | 9.187 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 662 | TRP | 0 | 0.015 | -0.009 | 9.985 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 663 | ASN | 0 | 0.002 | -0.017 | 10.196 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 664 | HIS | 0 | 0.035 | 0.006 | 2.424 | -0.495 | -0.068 | 0.607 | -0.234 | -0.800 | 0.002 |
547 | B | 665 | ARG | 1 | 0.836 | 0.921 | 6.891 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 666 | TRP | 0 | -0.076 | -0.048 | 9.161 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 667 | TYR | 0 | 0.037 | 0.029 | 6.862 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 668 | ILE | 0 | -0.045 | -0.006 | 7.918 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 669 | GLU | -1 | -0.792 | -0.868 | 3.036 | -3.355 | -2.190 | 0.198 | -0.527 | -0.835 | -0.005 |
552 | B | 670 | PHE | 0 | -0.025 | -0.033 | 6.935 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 671 | SER | 0 | -0.002 | -0.051 | 10.586 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 672 | ILE | 0 | -0.011 | -0.003 | 13.898 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 673 | ILE | 0 | -0.066 | -0.032 | 17.097 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 674 | LEU | 0 | 0.017 | -0.004 | 12.605 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 675 | ILE | 0 | 0.026 | 0.030 | 12.873 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 676 | ASP | -1 | -0.755 | -0.846 | 16.041 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 677 | ALA | 0 | -0.030 | -0.022 | 18.537 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 678 | LEU | 0 | 0.016 | 0.000 | 14.481 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 679 | SER | 0 | 0.030 | 0.010 | 18.279 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 680 | VAL | 0 | -0.023 | -0.003 | 20.313 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 681 | ALA | 0 | 0.037 | 0.018 | 20.926 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 682 | VAL | 0 | -0.047 | -0.027 | 18.388 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 683 | GLN | 0 | -0.076 | -0.028 | 21.731 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 684 | ASP | -1 | -0.766 | -0.829 | 25.186 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 685 | MET | 0 | -0.069 | -0.023 | 22.203 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 686 | GLY | 0 | 0.055 | 0.034 | 23.135 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 687 | ILE | 0 | 0.091 | 0.023 | 17.801 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 688 | THR | 0 | 0.005 | 0.010 | 18.506 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 689 | LYS | 1 | 0.871 | 0.932 | 20.145 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 690 | VAL | 0 | 0.010 | 0.009 | 17.354 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 691 | HIS | 0 | 0.039 | 0.016 | 11.880 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 692 | ASN | 0 | -0.004 | -0.008 | 16.743 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 693 | GLU | -1 | -0.794 | -0.847 | 19.366 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 694 | ILE | 0 | 0.006 | 0.006 | 13.561 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 695 | ALA | 0 | -0.010 | -0.015 | 15.453 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 696 | SER | 0 | -0.068 | -0.035 | 16.427 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 697 | ARG | 1 | 0.763 | 0.873 | 19.107 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 698 | PHE | 0 | -0.034 | -0.019 | 14.661 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 699 | SER | 0 | 0.016 | 0.012 | 13.226 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 700 | ASP | -1 | -0.855 | -0.929 | 11.903 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 701 | PRO | 0 | 0.025 | 0.013 | 8.250 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 702 | VAL | 0 | 0.018 | 0.014 | 8.144 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 703 | ALA | 0 | 0.020 | -0.001 | 9.803 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 704 | GLN | 0 | -0.045 | -0.027 | 7.115 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 705 | LEU | 0 | 0.018 | 0.021 | 4.454 | -0.205 | -0.069 | -0.001 | -0.006 | -0.129 | 0.000 |
588 | B | 706 | ILE | 0 | -0.012 | -0.019 | 6.218 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 707 | ASP | -1 | -0.786 | -0.873 | 8.893 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 708 | ASP | -1 | -0.866 | -0.923 | 4.800 | -0.573 | -0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 709 | ASN | 0 | -0.057 | -0.046 | 3.836 | -0.115 | 0.039 | -0.001 | -0.013 | -0.139 | 0.000 |
592 | B | 710 | ILE | 0 | -0.070 | -0.044 | 7.644 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 711 | LEU | 0 | -0.026 | -0.013 | 11.310 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 712 | ASN | 0 | -0.031 | -0.031 | 8.123 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 713 | PHE | 0 | 0.026 | 0.005 | 11.450 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 714 | LEU | 0 | -0.061 | -0.038 | 13.473 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 715 | LYS | 1 | 0.793 | 0.884 | 11.704 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 716 | ASN | 0 | -0.037 | -0.011 | 12.878 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 717 | PHE | 0 | 0.022 | 0.009 | 11.146 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 718 | THR | 0 | -0.011 | 0.009 | 16.733 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 719 | ASN | 0 | -0.022 | -0.012 | 19.574 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 720 | ASP | -1 | -0.881 | -0.932 | 21.163 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 721 | THR | 0 | -0.059 | -0.035 | 22.854 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 722 | PHE | 0 | -0.083 | -0.033 | 19.820 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |