FMODB ID: N9NKQ
Calculation Name: 1Y2M-C-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1Y2M
Chain ID: C
UniProt ID: P11544
Base Structure: X-ray
Registration Date: 2023-06-22
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 | 670 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -14346027.427889 |
---|---|
FMO2-HF: Nuclear repulsion | 14093303.94034 |
FMO2-HF: Total energy | -252723.487548 |
FMO2-MP2: Total energy | -253465.869166 |
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:26:ALA)
Summations of interaction energy for
fragment #1(C:26:ALA)
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. |
-5.703 | 1.363 | 5.093 | -5.288 | -6.872 | -0.022 |
Interaction energy analysis for fragmet #1(C:26:ALA)
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 | 28 | THR | 0 | 0.026 | 0.003 | 3.874 | -0.726 | 1.210 | -0.012 | -1.007 | -0.917 | 0.006 |
4 | C | 29 | ASN | 0 | -0.003 | 0.011 | 6.081 | 0.665 | 0.665 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | C | 30 | LEU | 0 | 0.101 | 0.041 | 8.536 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | C | 31 | ALA | 0 | -0.003 | 0.008 | 10.353 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | C | 32 | VAL | 0 | -0.048 | -0.029 | 6.674 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | C | 33 | ALA | 0 | 0.036 | 0.015 | 5.984 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | C | 34 | GLY | 0 | 0.008 | 0.008 | 7.543 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | C | 35 | SER | 0 | -0.017 | -0.037 | 10.540 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | C | 36 | HIS | 0 | 0.002 | -0.006 | 8.775 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | C | 37 | LEU | 0 | -0.022 | -0.002 | 13.854 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | C | 38 | PRO | 0 | 0.036 | 0.022 | 16.628 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | C | 39 | THR | 0 | 0.011 | -0.019 | 15.428 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | C | 40 | THR | 0 | 0.002 | -0.003 | 18.632 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | C | 41 | GLN | 0 | -0.031 | 0.004 | 15.665 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | C | 42 | VAL | 0 | -0.021 | 0.000 | 13.540 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | C | 43 | THR | 0 | -0.019 | -0.014 | 16.403 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | C | 44 | GLN | 0 | 0.072 | 0.009 | 17.171 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | C | 45 | VAL | 0 | -0.025 | -0.010 | 18.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | C | 46 | ASP | -1 | -0.833 | -0.882 | 15.745 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | C | 47 | ILE | 0 | 0.036 | 0.020 | 13.112 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | C | 48 | VAL | 0 | -0.015 | -0.012 | 14.907 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | C | 49 | GLU | -1 | -0.859 | -0.917 | 17.462 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | C | 50 | LYS | 1 | 0.756 | 0.858 | 11.908 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | C | 51 | MET | 0 | -0.049 | -0.024 | 13.093 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | C | 52 | LEU | 0 | -0.057 | -0.031 | 14.521 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | C | 53 | ALA | 0 | -0.026 | -0.001 | 14.922 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | C | 54 | ALA | 0 | -0.017 | 0.006 | 13.517 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | C | 55 | PRO | 0 | 0.006 | 0.006 | 13.662 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | C | 56 | THR | 0 | 0.007 | -0.023 | 16.482 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | C | 57 | ASP | -1 | -0.887 | -0.924 | 19.166 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | C | 58 | SER | 0 | -0.028 | -0.017 | 17.005 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | C | 59 | THR | 0 | -0.037 | -0.032 | 14.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | C | 60 | LEU | 0 | -0.015 | 0.011 | 10.344 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | C | 61 | GLU | -1 | -0.820 | -0.899 | 10.589 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | C | 62 | LEU | 0 | -0.055 | -0.021 | 9.382 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | C | 63 | ASP | -1 | -0.731 | -0.850 | 4.981 | 1.609 | 1.669 | -0.001 | -0.001 | -0.058 | 0.000 |
39 | C | 64 | GLY | 0 | 0.034 | 0.022 | 7.824 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | C | 65 | TYR | 0 | -0.083 | -0.050 | 2.708 | -1.334 | -0.288 | 0.587 | -0.544 | -1.089 | 0.004 |
41 | C | 66 | SER | 0 | -0.010 | -0.054 | 2.436 | -4.107 | -0.411 | 2.953 | -3.311 | -3.338 | -0.028 |
42 | C | 67 | LEU | 0 | -0.065 | -0.003 | 3.458 | -0.810 | -0.910 | 0.014 | 0.170 | -0.085 | 0.000 |
43 | C | 68 | ASN | 0 | 0.020 | -0.003 | 5.499 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | C | 69 | LEU | 0 | 0.031 | -0.005 | 7.538 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | C | 70 | GLY | 0 | 0.031 | 0.026 | 10.877 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | C | 71 | ASP | -1 | -0.797 | -0.879 | 9.234 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | C | 72 | VAL | 0 | 0.013 | 0.021 | 10.853 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | C | 73 | VAL | 0 | 0.002 | 0.001 | 13.311 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | C | 74 | SER | 0 | -0.051 | -0.026 | 14.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | C | 75 | ALA | 0 | 0.046 | 0.022 | 15.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | C | 76 | ALA | 0 | -0.039 | -0.019 | 17.273 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | C | 77 | ARG | 1 | 0.762 | 0.813 | 19.200 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | C | 78 | LYS | 1 | 0.862 | 0.936 | 19.991 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | C | 79 | GLY | 0 | 0.017 | 0.020 | 21.578 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | C | 80 | ARG | 1 | 0.814 | 0.906 | 12.332 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | C | 81 | PRO | 0 | 0.013 | 0.008 | 18.843 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | C | 82 | VAL | 0 | 0.004 | 0.004 | 14.599 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | C | 83 | ARG | 1 | 0.946 | 0.970 | 14.895 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | C | 84 | VAL | 0 | 0.055 | 0.030 | 13.439 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | C | 85 | LYS | 1 | 0.775 | 0.866 | 8.900 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | C | 86 | ASP | -1 | -0.844 | -0.897 | 12.110 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | C | 87 | SER | 0 | 0.004 | -0.023 | 12.010 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | C | 88 | ASP | -1 | -0.807 | -0.894 | 14.303 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | C | 89 | GLU | -1 | -0.802 | -0.887 | 11.253 | 0.649 | 0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | C | 90 | ILE | 0 | -0.033 | 0.008 | 9.328 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | C | 91 | ARG | 1 | 0.822 | 0.887 | 13.420 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | C | 92 | SER | 0 | 0.008 | 0.010 | 17.218 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | C | 93 | LYS | 1 | 0.832 | 0.885 | 10.616 | -0.825 | -0.825 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | C | 94 | ILE | 0 | -0.015 | 0.004 | 14.737 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | C | 95 | ASP | -1 | -0.867 | -0.934 | 17.478 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | C | 96 | LYS | 1 | 0.810 | 0.891 | 18.740 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | C | 97 | SER | 0 | -0.043 | -0.028 | 18.022 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | C | 98 | VAL | 0 | -0.016 | -0.010 | 20.165 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | C | 99 | GLU | -1 | -0.828 | -0.898 | 23.040 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | C | 100 | PHE | 0 | -0.028 | -0.017 | 22.800 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | C | 101 | LEU | 0 | -0.018 | -0.005 | 23.520 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | C | 102 | ARG | 1 | 0.804 | 0.896 | 25.535 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | C | 103 | DSN | 0 | -0.086 | -0.035 | 27.934 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | C | 125 | GLU | -1 | -0.756 | -0.878 | 37.040 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | C | 126 | ASP | -1 | -0.851 | -0.915 | 36.557 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | C | 127 | ALA | 0 | 0.017 | 0.004 | 31.869 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | C | 128 | ILE | 0 | -0.006 | 0.008 | 32.150 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | C | 129 | SER | 0 | -0.008 | -0.041 | 33.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | C | 130 | LEU | 0 | -0.004 | 0.012 | 31.446 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | C | 131 | GLN | 0 | -0.025 | -0.023 | 28.183 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | C | 132 | LYS | 1 | 0.780 | 0.885 | 31.118 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | C | 133 | ALA | 0 | 0.082 | 0.045 | 34.069 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | C | 134 | LEU | 0 | -0.057 | -0.030 | 28.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | C | 135 | LEU | 0 | -0.013 | -0.007 | 27.955 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | C | 136 | GLU | -1 | -0.949 | -0.970 | 31.400 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | C | 137 | HIS | 0 | -0.053 | -0.019 | 31.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | C | 138 | GLN | 0 | 0.036 | -0.002 | 29.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | C | 139 | LEU | 0 | -0.063 | -0.007 | 31.379 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | C | 140 | CYS | 0 | -0.035 | -0.012 | 33.513 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | C | 141 | GLY | 0 | 0.019 | 0.015 | 33.414 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | C | 142 | VAL | 0 | -0.043 | -0.034 | 34.433 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | C | 143 | LEU | 0 | 0.018 | -0.001 | 32.841 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | C | 144 | PRO | 0 | -0.043 | -0.007 | 36.522 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | C | 145 | SER | 0 | 0.026 | 0.009 | 39.480 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | C | 146 | SER | 0 | 0.042 | 0.020 | 42.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | C | 147 | PHE | 0 | 0.037 | 0.020 | 39.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | C | 148 | ASP | -1 | -0.861 | -0.918 | 43.534 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | C | 149 | SER | 0 | -0.088 | -0.045 | 42.869 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | C | 150 | PHE | 0 | 0.019 | 0.011 | 37.835 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | C | 151 | ARG | 1 | 0.798 | 0.875 | 42.765 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | C | 152 | LEU | 0 | 0.028 | 0.009 | 42.657 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | C | 153 | GLY | 0 | 0.011 | 0.013 | 39.636 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | C | 154 | ARG | 1 | 0.835 | 0.906 | 39.525 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | C | 155 | GLY | 0 | 0.056 | 0.018 | 39.185 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | C | 156 | LEU | 0 | 0.039 | 0.033 | 33.703 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | C | 157 | GLU | -1 | -0.785 | -0.876 | 34.055 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | C | 158 | ASN | 0 | -0.028 | -0.009 | 34.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | C | 159 | SER | 0 | -0.011 | -0.004 | 31.220 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | C | 160 | LEU | 0 | -0.001 | -0.012 | 24.715 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | C | 161 | PRO | 0 | 0.018 | 0.011 | 25.530 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | C | 162 | LEU | 0 | 0.073 | 0.029 | 25.242 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | C | 163 | GLU | -1 | -0.789 | -0.874 | 21.943 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | C | 164 | VAL | 0 | 0.004 | -0.001 | 20.788 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | C | 165 | VAL | 0 | 0.027 | 0.026 | 20.610 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | C | 166 | ARG | 1 | 0.861 | 0.926 | 20.187 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | C | 167 | GLY | 0 | 0.049 | 0.030 | 16.708 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | C | 168 | ALA | 0 | -0.019 | -0.011 | 16.098 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | C | 169 | MET | 0 | -0.020 | -0.010 | 17.464 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | C | 170 | THR | 0 | -0.005 | -0.004 | 12.870 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | C | 171 | ILE | 0 | 0.008 | 0.000 | 12.219 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | C | 172 | ARG | 1 | 0.761 | 0.881 | 13.496 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | C | 173 | VAL | 0 | 0.057 | 0.033 | 13.967 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | C | 174 | ASN | 0 | -0.014 | -0.002 | 7.509 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | C | 175 | SER | 0 | -0.006 | -0.024 | 10.761 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | C | 176 | LEU | 0 | -0.053 | -0.019 | 11.931 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | C | 177 | THR | 0 | -0.062 | -0.046 | 11.080 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | C | 178 | ARG | 1 | 0.810 | 0.912 | 6.066 | -1.861 | -1.861 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | C | 179 | GLY | 0 | 0.008 | 0.017 | 11.014 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | C | 180 | HIS | 0 | 0.001 | 0.014 | 9.688 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | C | 181 | SER | 0 | 0.022 | -0.027 | 15.018 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | C | 182 | ALA | 0 | -0.014 | 0.012 | 17.575 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | C | 183 | VAL | 0 | -0.006 | -0.003 | 19.203 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | C | 184 | ARG | 1 | 0.819 | 0.863 | 19.848 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | C | 185 | LEU | 0 | 0.078 | 0.043 | 17.481 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | C | 186 | VAL | 0 | 0.064 | 0.027 | 20.184 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | C | 187 | VAL | 0 | -0.017 | -0.003 | 21.940 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | C | 188 | LEU | 0 | 0.004 | -0.001 | 15.833 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | C | 189 | GLU | -1 | -0.893 | -0.941 | 19.374 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | C | 190 | ALA | 0 | 0.007 | 0.020 | 21.087 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | C | 191 | LEU | 0 | -0.008 | -0.010 | 19.244 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | C | 192 | THR | 0 | -0.026 | -0.024 | 16.795 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | C | 193 | ASN | 0 | -0.054 | -0.035 | 19.915 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | C | 194 | PHE | 0 | -0.006 | -0.014 | 23.491 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | C | 195 | LEU | 0 | -0.019 | -0.002 | 17.684 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | C | 196 | ASN | 0 | -0.032 | -0.022 | 19.744 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | C | 197 | HIS | 0 | -0.005 | 0.006 | 22.986 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | C | 198 | GLY | 0 | -0.016 | -0.001 | 25.247 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | C | 199 | ILE | 0 | -0.014 | 0.013 | 26.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | C | 200 | THR | 0 | -0.025 | -0.020 | 24.772 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | C | 201 | PRO | 0 | -0.019 | -0.015 | 25.296 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | C | 202 | ILE | 0 | -0.012 | 0.006 | 28.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | C | 203 | VAL | 0 | -0.004 | 0.010 | 26.055 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | C | 204 | PRO | 0 | 0.023 | 0.023 | 29.295 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | C | 205 | LEU | 0 | -0.064 | -0.023 | 28.933 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | C | 206 | ARG | 1 | 0.833 | 0.884 | 29.967 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | C | 207 | GLY | 0 | 0.072 | 0.034 | 31.033 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | C | 208 | THR | 0 | -0.042 | -0.022 | 24.781 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | C | 209 | ILE | 0 | 0.031 | 0.010 | 27.191 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | C | 210 | SER | 0 | -0.074 | -0.063 | 22.072 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | C | 211 | ALA | 0 | -0.014 | 0.004 | 22.680 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | C | 212 | SER | 0 | 0.079 | 0.022 | 23.306 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | C | 213 | GLY | 0 | 0.012 | 0.019 | 20.888 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | C | 214 | ASP | -1 | -0.805 | -0.860 | 21.056 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | C | 215 | LEU | 0 | 0.043 | 0.030 | 23.284 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | C | 216 | SER | 0 | 0.037 | 0.035 | 25.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | C | 217 | PRO | 0 | -0.032 | -0.037 | 24.898 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | C | 218 | LEU | 0 | 0.004 | -0.003 | 20.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | C | 219 | SER | 0 | 0.029 | -0.004 | 24.215 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | C | 220 | TYR | 0 | 0.029 | 0.008 | 27.435 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | C | 221 | ILE | 0 | -0.020 | -0.003 | 22.350 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | C | 222 | ALA | 0 | 0.026 | 0.012 | 24.985 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | C | 223 | ALA | 0 | 0.015 | 0.024 | 26.296 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | C | 224 | ALA | 0 | -0.050 | -0.010 | 27.839 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | C | 225 | ILE | 0 | 0.038 | 0.008 | 23.816 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | C | 226 | SER | 0 | -0.012 | -0.010 | 27.792 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | C | 227 | GLY | 0 | -0.028 | -0.017 | 30.396 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | C | 228 | HIS | 0 | 0.048 | 0.019 | 32.926 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | C | 229 | PRO | 0 | -0.002 | -0.018 | 34.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | C | 230 | ASP | -1 | -0.830 | -0.907 | 37.233 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | C | 231 | SER | 0 | -0.001 | 0.014 | 31.132 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | C | 232 | LYS | 1 | 0.822 | 0.911 | 33.388 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | C | 233 | VAL | 0 | -0.028 | -0.024 | 29.963 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | C | 234 | HIS | 0 | -0.021 | -0.028 | 29.879 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | C | 235 | VAL | 0 | 0.029 | 0.012 | 30.226 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | C | 236 | VAL | 0 | 0.023 | 0.015 | 30.966 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | C | 237 | HIS | 0 | 0.074 | 0.040 | 33.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | C | 238 | GLU | -1 | -0.825 | -0.909 | 35.818 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | C | 239 | GLY | 0 | 0.011 | 0.000 | 36.931 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | C | 240 | LYS | 1 | 0.809 | 0.910 | 37.657 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | C | 241 | GLU | -1 | -0.843 | -0.907 | 33.690 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | C | 242 | LYS | 1 | 0.792 | 0.884 | 35.039 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | C | 243 | ILE | 0 | -0.014 | -0.009 | 34.328 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | C | 244 | LEU | 0 | -0.010 | 0.010 | 35.197 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | C | 245 | TYR | 0 | 0.041 | 0.008 | 35.299 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | C | 246 | ALA | 0 | -0.026 | -0.015 | 31.799 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | C | 247 | ARG | 1 | 0.896 | 0.927 | 33.203 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | C | 248 | GLU | -1 | -0.867 | -0.913 | 35.526 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | C | 249 | ALA | 0 | 0.006 | -0.003 | 32.232 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | C | 250 | MET | 0 | -0.036 | -0.005 | 30.212 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | C | 251 | ALA | 0 | 0.024 | 0.021 | 32.550 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | C | 252 | LEU | 0 | -0.075 | -0.036 | 34.788 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | C | 253 | PHE | 0 | -0.026 | -0.009 | 30.199 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | C | 254 | ASN | 0 | -0.073 | -0.034 | 31.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | C | 255 | LEU | 0 | -0.019 | -0.001 | 27.523 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | C | 256 | GLU | -1 | -0.886 | -0.952 | 30.578 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | C | 257 | PRO | 0 | -0.044 | -0.030 | 29.867 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | C | 258 | VAL | 0 | -0.015 | -0.004 | 25.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | C | 259 | VAL | 0 | -0.005 | -0.010 | 29.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | C | 260 | LEU | 0 | -0.002 | 0.011 | 25.831 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | C | 261 | GLY | 0 | 0.019 | -0.002 | 27.642 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | C | 262 | PRO | 0 | 0.022 | -0.014 | 27.806 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | C | 263 | LYS | 1 | 0.801 | 0.902 | 19.669 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | C | 264 | GLU | -1 | -0.705 | -0.822 | 23.266 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | C | 265 | GLY | 0 | 0.037 | 0.025 | 23.690 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | C | 266 | LEU | 0 | 0.002 | -0.005 | 24.022 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | C | 267 | GLY | 0 | -0.023 | -0.007 | 20.321 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | C | 268 | LEU | 0 | -0.008 | -0.005 | 19.515 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | C | 269 | VAL | 0 | 0.010 | -0.001 | 21.278 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | C | 270 | ASN | 0 | -0.019 | 0.005 | 20.978 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | C | 271 | GLY | 0 | 0.053 | 0.019 | 17.820 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | C | 272 | THR | 0 | -0.059 | -0.048 | 14.662 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | C | 273 | ALA | 0 | 0.014 | 0.018 | 16.034 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | C | 274 | VAL | 0 | 0.041 | 0.016 | 17.010 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | C | 275 | SER | 0 | -0.045 | -0.049 | 19.836 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | C | 276 | ALA | 0 | 0.039 | 0.019 | 14.542 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | C | 277 | SER | 0 | -0.052 | -0.010 | 16.134 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | C | 278 | MET | 0 | -0.006 | -0.006 | 17.365 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | C | 279 | ALA | 0 | 0.031 | -0.006 | 17.618 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | C | 280 | THR | 0 | -0.014 | -0.013 | 13.696 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | C | 281 | LEU | 0 | -0.049 | -0.020 | 16.230 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | C | 282 | ALA | 0 | 0.013 | 0.005 | 19.242 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | C | 283 | LEU | 0 | 0.013 | 0.011 | 15.105 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | C | 284 | HIS | 0 | -0.029 | -0.029 | 17.257 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | C | 285 | ASP | -1 | -0.812 | -0.868 | 18.571 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | C | 286 | ALA | 0 | 0.026 | 0.011 | 21.363 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | C | 287 | HIS | 1 | 0.777 | 0.878 | 15.227 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | C | 288 | MET | 0 | -0.011 | 0.014 | 19.271 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | C | 289 | LEU | 0 | 0.011 | 0.001 | 23.290 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | C | 290 | SER | 0 | 0.019 | 0.016 | 23.349 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | C | 291 | LEU | 0 | 0.005 | 0.007 | 21.710 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | C | 292 | LEU | 0 | 0.015 | 0.006 | 25.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | C | 293 | SER | 0 | -0.003 | -0.015 | 28.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | C | 294 | GLN | 0 | 0.029 | 0.014 | 24.845 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | C | 295 | SER | 0 | 0.022 | 0.004 | 29.243 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | C | 296 | LEU | 0 | -0.029 | -0.006 | 31.734 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | C | 297 | THR | 0 | -0.011 | 0.007 | 32.929 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | C | 298 | ALA | 0 | -0.002 | 0.003 | 33.865 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | C | 299 | MET | 0 | 0.027 | 0.008 | 35.715 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | C | 300 | THR | 0 | 0.002 | -0.018 | 37.823 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | C | 301 | VAL | 0 | -0.027 | -0.010 | 37.979 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | C | 302 | GLU | -1 | -0.754 | -0.817 | 39.073 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | C | 303 | ALA | 0 | 0.036 | 0.021 | 41.963 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | C | 304 | MET | 0 | -0.047 | -0.014 | 43.329 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | C | 305 | VAL | 0 | -0.024 | -0.004 | 45.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | C | 306 | GLY | 0 | 0.027 | 0.013 | 43.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | C | 307 | HIS | 0 | -0.029 | -0.023 | 42.811 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | C | 308 | ALA | 0 | 0.057 | 0.030 | 39.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | C | 309 | GLY | 0 | 0.025 | 0.013 | 38.342 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | C | 310 | SER | 0 | -0.045 | -0.031 | 38.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | C | 311 | PHE | 0 | -0.015 | 0.005 | 33.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | C | 312 | HIS | 0 | 0.063 | 0.044 | 34.173 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | C | 313 | PRO | 0 | 0.040 | 0.004 | 32.635 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | C | 314 | PHE | 0 | -0.001 | -0.001 | 33.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | C | 315 | LEU | 0 | -0.019 | 0.010 | 36.190 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | C | 316 | HIS | 0 | -0.041 | -0.029 | 30.706 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | C | 317 | ASP | -1 | -0.763 | -0.881 | 29.659 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | C | 318 | VAL | 0 | -0.041 | -0.006 | 30.698 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | C | 319 | THR | 0 | -0.030 | -0.032 | 33.561 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | C | 320 | ARG | 1 | 0.839 | 0.916 | 30.928 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | C | 321 | PRO | 0 | 0.053 | 0.047 | 28.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | C | 322 | HIS | 0 | 0.002 | -0.011 | 25.800 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | C | 323 | PRO | 0 | 0.018 | 0.003 | 21.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | C | 324 | THR | 0 | 0.031 | -0.005 | 20.703 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | C | 325 | GLN | 0 | 0.025 | 0.008 | 23.436 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | C | 326 | ILE | 0 | -0.022 | -0.002 | 25.489 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | C | 327 | GLU | -1 | -0.804 | -0.901 | 20.974 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | C | 328 | VAL | 0 | -0.005 | 0.008 | 24.814 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | C | 329 | ALA | 0 | -0.012 | -0.008 | 27.404 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | C | 330 | GLY | 0 | 0.014 | 0.001 | 28.056 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | C | 331 | ASN | 0 | -0.033 | -0.026 | 24.203 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | C | 332 | ILE | 0 | -0.001 | -0.003 | 28.428 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | C | 333 | ARG | 1 | 0.783 | 0.872 | 30.046 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | C | 334 | LYS | 1 | 0.874 | 0.939 | 25.801 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | C | 335 | LEU | 0 | -0.024 | -0.014 | 30.105 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | C | 336 | LEU | 0 | 0.005 | 0.014 | 33.076 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | C | 337 | GLU | -1 | -0.843 | -0.894 | 33.689 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | C | 338 | GLY | 0 | 0.010 | 0.002 | 36.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | C | 339 | SER | 0 | -0.035 | -0.047 | 39.794 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | C | 340 | ARG | 1 | 0.862 | 0.923 | 41.485 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | C | 341 | PHE | 0 | 0.008 | 0.017 | 43.145 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | C | 342 | ALA | 0 | -0.011 | -0.004 | 41.348 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | C | 343 | VAL | 0 | 0.009 | 0.009 | 43.323 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | C | 344 | HIS | 0 | -0.054 | -0.053 | 39.996 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | C | 345 | HIS | 0 | -0.040 | -0.014 | 43.347 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | C | 346 | GLU | -1 | -0.903 | -0.946 | 45.459 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | C | 347 | GLU | -1 | -0.899 | -0.942 | 47.766 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | C | 348 | GLU | -1 | -0.876 | -0.945 | 51.201 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | C | 349 | VAL | 0 | -0.029 | -0.021 | 54.548 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | C | 350 | LYS | 1 | 0.833 | 0.903 | 49.267 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | C | 351 | VAL | 0 | 0.033 | 0.027 | 53.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | C | 352 | LYS | 1 | 0.715 | 0.834 | 52.130 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | C | 353 | ASP | -1 | -0.816 | -0.910 | 55.348 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | C | 354 | ASP | -1 | -0.887 | -0.938 | 58.873 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | C | 355 | GLU | -1 | -0.810 | -0.883 | 60.455 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | C | 356 | GLY | 0 | -0.024 | -0.012 | 57.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | C | 357 | ILE | 0 | 0.027 | 0.026 | 54.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | C | 358 | LEU | 0 | -0.077 | -0.048 | 48.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | C | 359 | ARG | 1 | 0.917 | 0.977 | 50.264 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | C | 360 | GLN | 0 | 0.004 | -0.004 | 44.192 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | C | 361 | ASP | -1 | -0.744 | -0.839 | 42.882 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | C | 362 | ARG | 1 | 0.856 | 0.920 | 43.556 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | C | 363 | TYR | 0 | 0.004 | -0.005 | 39.425 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | C | 364 | PRO | 0 | 0.052 | 0.041 | 37.965 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | C | 365 | LEU | 0 | 0.044 | 0.039 | 37.133 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | C | 366 | ARG | 1 | 0.892 | 0.935 | 36.832 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | C | 367 | THR | 0 | -0.051 | -0.034 | 35.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | C | 368 | SER | 0 | 0.037 | 0.011 | 32.872 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | C | 369 | PRO | 0 | 0.022 | 0.004 | 29.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | C | 370 | GLN | 0 | 0.009 | -0.007 | 29.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | C | 371 | TRP | 0 | -0.074 | -0.034 | 30.687 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | C | 372 | LEU | 0 | 0.013 | -0.001 | 27.427 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | C | 373 | GLY | 0 | 0.054 | 0.035 | 25.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | C | 374 | PRO | 0 | -0.037 | -0.009 | 24.190 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | C | 375 | LEU | 0 | 0.035 | 0.019 | 23.411 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | C | 376 | VAL | 0 | 0.008 | 0.013 | 21.100 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | C | 377 | SER | 0 | 0.015 | 0.007 | 19.482 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | C | 378 | ASP | -1 | -0.829 | -0.909 | 18.456 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | C | 379 | LEU | 0 | -0.017 | -0.007 | 18.602 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | C | 380 | ILE | 0 | -0.021 | -0.012 | 14.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | C | 381 | HIS | 0 | 0.016 | 0.024 | 13.990 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | C | 382 | ALA | 0 | 0.024 | -0.005 | 13.982 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | C | 383 | HIS | 0 | 0.036 | 0.005 | 10.302 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | C | 384 | ALA | 0 | 0.036 | 0.034 | 9.737 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | C | 385 | VAL | 0 | -0.086 | -0.028 | 9.424 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | C | 386 | LEU | 0 | 0.017 | -0.006 | 10.679 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | C | 387 | THR | 0 | -0.011 | -0.011 | 5.877 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | C | 388 | ILE | 0 | 0.020 | 0.016 | 5.722 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | C | 389 | GLU | -1 | -0.879 | -0.898 | 7.296 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | C | 390 | ALA | 0 | -0.008 | -0.016 | 10.175 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | C | 391 | GLY | 0 | 0.038 | 0.016 | 6.262 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | C | 392 | GLN | 0 | -0.014 | -0.008 | 2.671 | -0.826 | -0.409 | 1.553 | -0.594 | -1.376 | -0.004 |
347 | C | 393 | SER | 0 | -0.026 | -0.023 | 5.363 | -0.106 | -0.095 | -0.001 | -0.001 | -0.009 | 0.000 |
348 | C | 394 | THR | 0 | 0.002 | 0.006 | 8.928 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | C | 395 | THR | 0 | -0.003 | -0.016 | 12.020 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | C | 396 | ASP | -1 | -0.740 | -0.840 | 15.149 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | C | 397 | ASN | 0 | 0.032 | 0.006 | 17.798 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | C | 398 | PRO | 0 | 0.033 | 0.014 | 20.458 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | C | 399 | LEU | 0 | -0.049 | -0.006 | 14.989 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | C | 400 | ILE | 0 | -0.030 | -0.021 | 17.743 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | C | 401 | ASP | -1 | -0.822 | -0.895 | 17.138 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | C | 402 | VAL | 0 | 0.065 | 0.023 | 17.977 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | C | 403 | GLU | -1 | -0.817 | -0.892 | 17.130 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | C | 404 | ASN | 0 | -0.089 | -0.057 | 18.731 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | C | 405 | LYS | 1 | 0.830 | 0.924 | 21.706 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | C | 406 | THR | 0 | 0.037 | 0.016 | 21.860 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | C | 407 | SER | 0 | -0.045 | -0.023 | 21.453 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | C | 408 | HIS | 0 | -0.035 | -0.016 | 18.344 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | C | 409 | HIS | 0 | 0.018 | 0.002 | 21.214 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | C | 410 | GLY | 0 | 0.019 | 0.002 | 20.168 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | C | 411 | GLY | 0 | 0.033 | 0.010 | 19.871 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | C | 412 | ASN | 0 | -0.051 | -0.027 | 14.026 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | C | 413 | PHE | 0 | 0.046 | 0.046 | 16.419 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | C | 414 | GLN | 0 | -0.020 | -0.023 | 18.918 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | C | 415 | ALA | 0 | 0.060 | 0.039 | 18.016 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | C | 416 | ALA | 0 | -0.009 | -0.035 | 19.099 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | C | 417 | ALA | 0 | 0.001 | 0.019 | 14.680 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | C | 418 | VAL | 0 | 0.058 | 0.024 | 15.880 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | C | 419 | ALA | 0 | 0.019 | 0.015 | 17.554 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | C | 420 | ASN | 0 | -0.025 | -0.010 | 18.683 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | C | 421 | THR | 0 | -0.012 | -0.018 | 15.416 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | C | 422 | MET | 0 | -0.032 | 0.027 | 18.823 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | C | 423 | GLU | -1 | -0.668 | -0.771 | 21.794 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | C | 424 | LYS | 1 | 0.795 | 0.895 | 18.600 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | C | 425 | THR | 0 | -0.013 | -0.022 | 20.484 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | C | 426 | ARG | 1 | 0.754 | 0.854 | 23.032 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | C | 427 | LEU | 0 | 0.039 | 0.025 | 26.528 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | C | 428 | GLY | 0 | 0.013 | 0.000 | 25.506 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | C | 429 | LEU | 0 | -0.004 | -0.010 | 25.127 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | C | 430 | ALA | 0 | 0.049 | 0.030 | 28.002 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | C | 431 | GLN | 0 | -0.021 | -0.008 | 29.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | C | 432 | ILE | 0 | -0.016 | -0.001 | 25.895 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | C | 433 | GLY | 0 | 0.057 | 0.013 | 30.523 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | C | 434 | LYS | 1 | 0.944 | 0.976 | 33.390 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | C | 435 | LEU | 0 | -0.019 | 0.008 | 32.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | C | 436 | ASN | 0 | 0.024 | 0.030 | 32.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | C | 437 | PHE | 0 | 0.053 | 0.027 | 35.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | C | 438 | THR | 0 | -0.102 | -0.066 | 38.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | C | 439 | GLN | 0 | -0.001 | -0.030 | 34.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | C | 440 | LEU | 0 | -0.001 | 0.009 | 39.838 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | C | 441 | THR | 0 | -0.018 | -0.033 | 41.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | C | 442 | GLU | -1 | -0.852 | -0.924 | 43.330 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | C | 443 | MET | 0 | -0.002 | 0.001 | 41.669 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | C | 444 | LEU | 0 | -0.057 | -0.032 | 44.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | C | 445 | ASN | 0 | -0.001 | 0.004 | 47.604 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | C | 446 | ALA | 0 | 0.040 | 0.019 | 50.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | C | 447 | GLY | 0 | 0.038 | 0.035 | 52.998 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | C | 448 | MET | 0 | -0.105 | -0.054 | 46.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | C | 449 | ASN | 0 | 0.018 | -0.001 | 48.071 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | C | 450 | ARG | 1 | 0.885 | 0.936 | 45.660 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | C | 451 | GLY | 0 | 0.079 | 0.051 | 51.375 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | C | 452 | LEU | 0 | -0.034 | 0.001 | 47.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | C | 453 | PRO | 0 | -0.002 | 0.007 | 51.747 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | C | 454 | SER | 0 | 0.070 | 0.030 | 52.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | C | 455 | CYS | 0 | -0.056 | -0.018 | 50.404 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | C | 456 | LEU | 0 | 0.034 | 0.014 | 45.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | C | 457 | ALA | 0 | -0.002 | 0.009 | 50.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | C | 458 | ALA | 0 | 0.026 | 0.007 | 52.407 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | C | 459 | GLU | -1 | -0.801 | -0.884 | 54.062 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | C | 460 | ASP | -1 | -0.833 | -0.921 | 57.421 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | C | 461 | PRO | 0 | 0.041 | 0.012 | 57.256 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | C | 462 | SER | 0 | -0.049 | -0.041 | 58.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | C | 463 | LEU | 0 | -0.027 | -0.003 | 60.659 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | C | 464 | SER | 0 | -0.031 | -0.012 | 55.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | C | 465 | TYR | 0 | 0.003 | -0.020 | 54.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | C | 466 | HIS | 0 | -0.019 | -0.004 | 47.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | C | 467 | CYS | 0 | 0.015 | 0.020 | 46.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | C | 468 | LYS | 1 | 0.912 | 0.954 | 47.315 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | C | 469 | GLY | 0 | 0.020 | 0.004 | 48.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | C | 470 | LEU | 0 | -0.005 | -0.012 | 42.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | C | 471 | ASP | -1 | -0.812 | -0.896 | 43.511 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | C | 472 | ILE | 0 | -0.004 | 0.000 | 44.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | C | 473 | ALA | 0 | -0.003 | 0.002 | 42.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | C | 474 | ALA | 0 | 0.033 | 0.012 | 40.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | C | 475 | ALA | 0 | 0.024 | 0.026 | 39.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | C | 476 | ALA | 0 | -0.006 | 0.013 | 41.378 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | C | 477 | TYR | 0 | 0.037 | 0.007 | 36.713 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | C | 478 | THR | 0 | -0.008 | -0.019 | 36.521 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | C | 479 | SER | 0 | -0.062 | -0.037 | 37.107 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | C | 480 | GLU | -1 | -0.965 | -0.976 | 36.311 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | C | 481 | LEU | 0 | -0.015 | -0.017 | 31.238 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | C | 482 | GLY | 0 | -0.002 | -0.004 | 33.431 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | C | 483 | HIS | 0 | -0.025 | -0.006 | 35.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | C | 484 | LEU | 0 | 0.012 | 0.001 | 31.651 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | C | 485 | ALA | 0 | -0.020 | -0.009 | 30.315 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | C | 486 | ASN | 0 | -0.069 | -0.021 | 30.539 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | C | 487 | PRO | 0 | 0.012 | 0.023 | 29.093 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | C | 488 | VAL | 0 | -0.041 | -0.044 | 27.714 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | C | 489 | THR | 0 | -0.047 | -0.066 | 24.701 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | C | 490 | THR | 0 | 0.018 | 0.008 | 28.005 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | C | 491 | HIS | 0 | -0.065 | -0.012 | 31.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | C | 492 | VAL | 0 | 0.005 | 0.016 | 28.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | C | 493 | GLN | 0 | -0.030 | -0.012 | 31.608 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | C | 494 | PRO | 0 | 0.039 | 0.022 | 32.789 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | C | 495 | ALA | 0 | -0.013 | -0.021 | 31.459 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | C | 496 | GLU | -1 | -0.825 | -0.896 | 30.988 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | C | 497 | MET | 0 | 0.003 | -0.008 | 34.306 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | C | 498 | ALA | 0 | 0.000 | 0.005 | 34.508 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | C | 499 | ASN | 0 | -0.048 | -0.026 | 30.023 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | C | 500 | GLN | 0 | -0.021 | -0.012 | 27.172 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | C | 501 | ALA | 0 | -0.037 | -0.011 | 29.981 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | C | 502 | VAL | 0 | -0.007 | 0.008 | 26.649 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | C | 503 | ASN | 0 | -0.041 | -0.042 | 25.974 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | C | 504 | SER | 0 | 0.032 | 0.009 | 22.432 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | C | 505 | LEU | 0 | 0.004 | 0.008 | 24.410 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | C | 506 | ALA | 0 | 0.007 | 0.010 | 20.844 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | C | 507 | LEU | 0 | 0.038 | 0.008 | 22.814 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | C | 508 | ILE | 0 | -0.062 | -0.028 | 24.119 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | C | 509 | SER | 0 | -0.001 | -0.014 | 23.999 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | C | 510 | ALA | 0 | 0.071 | 0.017 | 21.832 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | C | 511 | ARG | 1 | 0.934 | 0.981 | 23.631 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | C | 512 | ARG | 1 | 0.872 | 0.933 | 26.836 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | C | 513 | THR | 0 | -0.012 | 0.001 | 23.088 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | C | 514 | THR | 0 | 0.004 | -0.017 | 24.631 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | C | 515 | GLU | -1 | -0.838 | -0.902 | 26.169 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | C | 516 | SER | 0 | 0.012 | -0.014 | 28.157 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | C | 517 | ASN | 0 | 0.028 | -0.003 | 23.412 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | C | 518 | ASP | -1 | -0.786 | -0.835 | 27.857 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | C | 519 | VAL | 0 | 0.034 | 0.023 | 30.778 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | C | 520 | LEU | 0 | -0.010 | 0.000 | 28.265 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | C | 521 | SER | 0 | -0.007 | -0.024 | 29.391 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | C | 522 | LEU | 0 | -0.012 | 0.004 | 31.567 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | C | 523 | LEU | 0 | -0.039 | 0.021 | 34.457 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | C | 524 | LEU | 0 | 0.004 | -0.009 | 29.989 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | C | 525 | ALA | 0 | 0.018 | 0.009 | 34.106 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | C | 526 | THR | 0 | -0.036 | -0.037 | 35.665 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | C | 527 | HIS | 0 | 0.002 | -0.010 | 36.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | C | 528 | LEU | 0 | 0.020 | 0.008 | 33.936 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | C | 529 | TYR | 0 | -0.003 | -0.031 | 37.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | C | 530 | CYS | 0 | -0.052 | -0.015 | 40.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | C | 531 | VAL | 0 | 0.014 | -0.002 | 37.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | C | 532 | LEU | 0 | 0.029 | 0.024 | 38.211 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | C | 533 | GLN | 0 | -0.028 | -0.015 | 42.044 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | C | 534 | ALA | 0 | -0.010 | -0.012 | 44.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | C | 535 | ILE | 0 | 0.020 | 0.011 | 40.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | C | 536 | ASP | -1 | -0.714 | -0.815 | 44.804 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | C | 537 | LEU | 0 | -0.044 | -0.012 | 47.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | C | 538 | ARG | 1 | 0.762 | 0.860 | 47.378 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | C | 539 | ALA | 0 | 0.021 | 0.013 | 47.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | C | 540 | ILE | 0 | -0.011 | 0.001 | 49.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | C | 541 | GLU | -1 | -0.831 | -0.892 | 52.414 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | C | 542 | PHE | 0 | -0.012 | -0.012 | 48.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | C | 543 | GLU | -1 | -0.765 | -0.844 | 52.598 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | C | 544 | PHE | 0 | -0.032 | 0.003 | 55.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | C | 545 | LYS | 1 | 0.899 | 0.925 | 53.946 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | C | 546 | LYS | 1 | 0.813 | 0.895 | 52.737 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | C | 547 | GLN | 0 | -0.052 | -0.030 | 58.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | C | 548 | PHE | 0 | 0.035 | 0.006 | 61.302 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | C | 549 | GLY | 0 | 0.040 | 0.029 | 61.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | C | 550 | PRO | 0 | 0.005 | -0.015 | 62.732 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | C | 551 | ALA | 0 | 0.007 | 0.017 | 65.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | C | 552 | ILE | 0 | 0.007 | 0.006 | 64.444 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | C | 553 | VAL | 0 | -0.004 | 0.003 | 67.164 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | C | 554 | SER | 0 | -0.016 | 0.004 | 69.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | C | 555 | LEU | 0 | 0.021 | 0.007 | 70.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | C | 556 | ILE | 0 | 0.005 | 0.002 | 70.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | C | 557 | ASP | -1 | -0.782 | -0.865 | 73.452 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | C | 558 | GLN | 0 | -0.055 | -0.030 | 75.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | C | 559 | HIS | 0 | -0.044 | -0.020 | 76.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | C | 560 | PHE | 0 | 0.018 | -0.008 | 74.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | C | 561 | GLY | 0 | 0.040 | 0.028 | 78.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | C | 562 | SER | 0 | -0.009 | -0.011 | 79.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | C | 563 | ALA | 0 | -0.027 | 0.002 | 82.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | C | 564 | MET | 0 | 0.005 | 0.031 | 76.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | C | 565 | THR | 0 | -0.001 | -0.003 | 81.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | C | 566 | GLY | 0 | -0.045 | -0.014 | 82.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | C | 567 | SER | 0 | -0.054 | -0.030 | 80.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | C | 568 | ASN | 0 | -0.014 | -0.027 | 75.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | C | 569 | LEU | 0 | 0.040 | 0.022 | 75.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | C | 570 | ARG | 1 | 0.784 | 0.844 | 70.878 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | C | 571 | ASP | -1 | -0.823 | -0.913 | 70.220 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | C | 572 | GLU | -1 | -0.859 | -0.910 | 69.822 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | C | 573 | LEU | 0 | 0.011 | 0.007 | 70.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | C | 574 | VAL | 0 | 0.011 | 0.003 | 67.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | C | 575 | GLU | -1 | -0.848 | -0.906 | 63.841 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | C | 576 | LYS | 1 | 0.856 | 0.920 | 65.564 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | C | 577 | VAL | 0 | 0.006 | 0.004 | 66.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | C | 578 | ASN | 0 | -0.044 | -0.035 | 62.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | C | 579 | LYS | 1 | 0.847 | 0.921 | 62.045 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | C | 580 | THR | 0 | -0.048 | -0.026 | 62.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | C | 581 | LEU | 0 | -0.020 | -0.010 | 63.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | C | 582 | ALA | 0 | -0.023 | -0.008 | 58.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | C | 583 | LYS | 1 | 0.878 | 0.917 | 59.119 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | C | 584 | ARG | 1 | 0.794 | 0.869 | 60.204 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | C | 585 | LEU | 0 | -0.013 | -0.004 | 59.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | C | 586 | GLU | -1 | -0.951 | -0.964 | 54.900 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | C | 587 | GLN | 0 | 0.034 | 0.035 | 56.284 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | C | 588 | THR | 0 | 0.002 | -0.016 | 58.690 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | C | 589 | ASN | 0 | -0.069 | -0.036 | 53.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | C | 590 | SER | 0 | -0.005 | -0.023 | 56.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | C | 591 | TYR | 0 | -0.081 | -0.041 | 58.661 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | C | 592 | ASP | -1 | -0.797 | -0.863 | 61.043 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | C | 593 | LEU | 0 | -0.035 | -0.026 | 61.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | C | 594 | VAL | 0 | 0.008 | -0.007 | 63.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | C | 595 | PRO | 0 | 0.013 | 0.001 | 65.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | C | 596 | ARG | 1 | 0.874 | 0.933 | 57.011 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | C | 597 | TRP | 0 | 0.034 | 0.017 | 61.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | C | 598 | HIS | 0 | 0.072 | 0.037 | 66.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | C | 599 | ASP | -1 | -0.829 | -0.856 | 66.824 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | C | 600 | ALA | 0 | 0.050 | 0.021 | 64.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | C | 601 | PHE | 0 | 0.043 | 0.005 | 66.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | C | 602 | SER | 0 | -0.027 | -0.014 | 69.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | C | 603 | PHE | 0 | -0.026 | -0.013 | 66.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | C | 604 | ALA | 0 | 0.017 | 0.003 | 68.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | C | 605 | ALA | 0 | 0.010 | 0.000 | 70.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | C | 606 | GLY | 0 | 0.001 | 0.009 | 73.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | C | 607 | THR | 0 | 0.033 | 0.015 | 69.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | C | 608 | VAL | 0 | -0.001 | 0.002 | 72.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | C | 609 | VAL | 0 | -0.046 | -0.022 | 75.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | C | 610 | GLU | -1 | -0.919 | -0.957 | 72.482 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | C | 611 | VAL | 0 | -0.003 | 0.000 | 72.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | C | 612 | LEU | 0 | -0.007 | -0.014 | 76.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | C | 613 | SER | 0 | -0.026 | -0.001 | 79.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | C | 614 | SER | 0 | -0.028 | -0.009 | 81.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | C | 615 | THR | 0 | -0.037 | -0.021 | 81.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | C | 616 | SER | 0 | -0.003 | -0.012 | 84.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | C | 617 | LEU | 0 | -0.030 | -0.002 | 80.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | C | 618 | SER | 0 | 0.029 | 0.015 | 84.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | C | 619 | LEU | 0 | 0.069 | 0.010 | 81.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | C | 620 | ALA | 0 | -0.022 | -0.005 | 81.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | C | 621 | ALA | 0 | 0.033 | 0.023 | 82.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | C | 622 | VAL | 0 | 0.028 | 0.016 | 77.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | C | 623 | ASN | 0 | -0.007 | -0.015 | 77.500 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | C | 624 | ALA | 0 | 0.000 | 0.001 | 77.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | C | 625 | TRP | 0 | 0.047 | 0.024 | 70.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | C | 626 | LYS | 1 | 0.818 | 0.921 | 72.588 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | C | 627 | VAL | 0 | -0.061 | -0.033 | 72.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | C | 628 | ALA | 0 | 0.056 | 0.033 | 73.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | C | 629 | ALA | 0 | 0.035 | 0.011 | 70.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | C | 630 | ALA | 0 | -0.006 | 0.000 | 68.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | C | 631 | GLU | -1 | -0.930 | -0.977 | 68.623 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | C | 632 | SER | 0 | -0.020 | 0.010 | 68.996 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | C | 633 | ALA | 0 | 0.045 | 0.025 | 64.877 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | C | 634 | ILE | 0 | -0.024 | -0.003 | 64.353 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | C | 635 | SER | 0 | -0.038 | -0.034 | 64.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | C | 636 | LEU | 0 | 0.017 | 0.018 | 62.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | C | 637 | THR | 0 | -0.018 | -0.034 | 59.433 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | C | 638 | ARG | 1 | 0.948 | 0.972 | 60.143 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | C | 639 | GLN | 0 | 0.035 | 0.029 | 61.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | C | 640 | VAL | 0 | 0.000 | 0.014 | 56.276 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | C | 641 | ARG | 1 | 0.801 | 0.901 | 56.636 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | C | 642 | GLU | -1 | -0.782 | -0.863 | 56.743 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | C | 643 | THR | 0 | -0.066 | -0.031 | 55.974 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | C | 644 | PHE | 0 | -0.046 | -0.015 | 48.677 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | C | 645 | TRP | 0 | -0.010 | -0.031 | 50.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | C | 646 | SER | 0 | -0.067 | -0.032 | 54.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | C | 647 | ALA | 0 | -0.003 | 0.005 | 52.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | C | 648 | ALA | 0 | 0.008 | 0.009 | 47.951 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | C | 649 | SER | 0 | 0.001 | -0.039 | 44.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | C | 650 | THR | 0 | -0.017 | -0.010 | 43.776 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | C | 651 | SER | 0 | -0.054 | -0.036 | 45.554 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | C | 652 | SER | 0 | 0.025 | 0.016 | 46.194 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | C | 653 | PRO | 0 | 0.045 | 0.016 | 47.460 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | C | 654 | ALA | 0 | 0.021 | 0.004 | 44.357 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | C | 655 | LEU | 0 | -0.037 | -0.013 | 42.343 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | C | 656 | SER | 0 | -0.075 | -0.025 | 44.550 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | C | 657 | TYR | 0 | -0.085 | -0.083 | 45.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | C | 658 | LEU | 0 | 0.011 | 0.014 | 39.935 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | C | 659 | SER | 0 | -0.007 | -0.003 | 35.913 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | C | 660 | PRO | 0 | -0.023 | -0.012 | 36.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | C | 661 | ARG | 1 | 0.802 | 0.883 | 29.662 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | C | 662 | THR | 0 | -0.009 | -0.047 | 33.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | C | 663 | GLN | 0 | 0.035 | 0.017 | 35.778 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | C | 664 | ILE | 0 | -0.045 | -0.016 | 31.652 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | C | 665 | LEU | 0 | 0.039 | 0.003 | 31.875 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | C | 666 | TYR | 0 | -0.047 | -0.052 | 34.576 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | C | 667 | ALA | 0 | 0.013 | 0.007 | 37.174 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | C | 668 | PHE | 0 | -0.015 | -0.007 | 31.435 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | C | 669 | VAL | 0 | 0.011 | -0.008 | 35.694 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | C | 670 | ARG | 1 | 0.810 | 0.896 | 37.686 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | C | 671 | GLU | -1 | -0.801 | -0.879 | 39.706 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | C | 672 | GLU | -1 | -0.837 | -0.899 | 33.268 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | C | 673 | LEU | 0 | -0.078 | -0.026 | 34.154 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | C | 674 | GLY | 0 | -0.003 | 0.009 | 38.222 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | C | 675 | VAL | 0 | -0.030 | -0.002 | 39.939 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | C | 676 | LYS | 1 | 0.819 | 0.903 | 42.394 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | C | 677 | ALA | 0 | 0.018 | 0.018 | 45.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | C | 678 | ARG | 1 | 0.736 | 0.819 | 47.322 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | C | 679 | ARG | 1 | 0.741 | 0.829 | 49.964 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | C | 680 | GLY | 0 | 0.054 | -0.004 | 53.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | C | 681 | ASP | -1 | -0.793 | -0.861 | 53.788 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | C | 682 | VAL | 0 | 0.018 | 0.008 | 56.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | C | 683 | PHE | 0 | -0.009 | 0.000 | 58.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | C | 684 | LEU | 0 | -0.029 | -0.014 | 55.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | C | 685 | GLY | 0 | -0.009 | 0.014 | 59.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | C | 686 | LYS | 1 | 0.827 | 0.896 | 54.082 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | C | 687 | GLN | 0 | -0.011 | -0.004 | 55.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | C | 688 | GLU | -1 | -0.835 | -0.907 | 51.866 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | C | 689 | VAL | 0 | 0.029 | 0.008 | 46.746 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | C | 690 | THR | 0 | 0.019 | 0.019 | 46.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | C | 691 | ILE | 0 | 0.070 | 0.034 | 44.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | C | 692 | GLY | 0 | 0.052 | 0.033 | 43.370 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | C | 693 | SER | 0 | 0.006 | 0.016 | 42.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | C | 694 | ASN | 0 | -0.024 | -0.014 | 41.805 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | C | 695 | VAL | 0 | 0.036 | 0.012 | 38.692 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | C | 696 | SER | 0 | -0.025 | -0.026 | 37.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | C | 697 | LYS | 1 | 0.843 | 0.914 | 36.783 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | C | 698 | ILE | 0 | 0.007 | 0.018 | 34.466 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | C | 699 | TYR | 0 | -0.016 | -0.041 | 32.982 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | C | 700 | GLU | -1 | -0.821 | -0.902 | 32.145 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | C | 701 | ALA | 0 | -0.012 | 0.015 | 31.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | C | 702 | ILE | 0 | -0.012 | -0.004 | 28.279 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | C | 703 | LYS | 1 | 0.817 | 0.899 | 27.470 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | C | 704 | SER | 0 | -0.037 | -0.028 | 27.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | C | 705 | GLY | 0 | -0.011 | -0.019 | 24.579 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | C | 706 | ARG | 1 | 0.768 | 0.872 | 25.415 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | C | 707 | ILE | 0 | 0.035 | 0.010 | 27.420 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | C | 708 | ASN | 0 | 0.025 | 0.012 | 22.272 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | C | 709 | ASN | 0 | 0.063 | 0.019 | 23.084 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | C | 710 | VAL | 0 | -0.030 | 0.001 | 25.152 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | C | 711 | LEU | 0 | 0.011 | -0.006 | 25.639 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | C | 712 | LEU | 0 | 0.021 | 0.019 | 20.807 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | C | 713 | LYS | 1 | 0.942 | 0.976 | 24.324 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | C | 714 | MET | 0 | -0.072 | -0.016 | 27.206 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | C | 715 | LEU | 0 | 0.015 | 0.010 | 25.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | C | 716 | ALA | 0 | -0.005 | 0.011 | 23.902 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |