FMODB ID: YZV62
Calculation Name: 5N9J-W-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5N9J
Chain ID: W
UniProt ID: P87310
Base Structure: X-ray
Registration Date: 2023-06-21
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 | 472 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -6833325.933663 |
---|---|
FMO2-HF: Nuclear repulsion | 6641201.854506 |
FMO2-HF: Total energy | -192124.079157 |
FMO2-MP2: Total energy | -192679.987338 |
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(W:17:SER)
Summations of interaction energy for
fragment #1(W:17:SER)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-33.508 | -37.316 | 16.869 | -8.295 | -4.766 | -0.073 |
Interaction energy analysis for fragmet #1(W:17:SER)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | W | 19 | ASP | -1 | -0.857 | -0.901 | 1.627 | -33.429 | -37.262 | 16.870 | -8.285 | -4.752 | -0.073 |
4 | W | 20 | PRO | 0 | -0.050 | -0.038 | 4.739 | 1.188 | 1.213 | -0.001 | -0.010 | -0.014 | 0.000 |
5 | W | 21 | GLU | -1 | -0.845 | -0.905 | 8.559 | -1.497 | -1.497 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | W | 22 | ILE | 0 | -0.081 | -0.045 | 10.659 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | W | 23 | ILE | 0 | 0.036 | 0.017 | 14.414 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | W | 24 | GLY | 0 | 0.026 | 0.017 | 16.456 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | W | 25 | GLY | 0 | -0.008 | -0.011 | 19.704 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | W | 26 | GLN | 0 | -0.025 | -0.028 | 21.657 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | W | 27 | ASN | 0 | -0.045 | -0.015 | 21.498 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | W | 28 | ASN | 0 | -0.052 | -0.023 | 24.757 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | W | 29 | PHE | 0 | -0.020 | -0.009 | 27.641 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | W | 30 | LEU | 0 | 0.026 | 0.017 | 26.491 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | W | 31 | GLU | -1 | -0.920 | -0.953 | 30.615 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | W | 32 | ASN | 0 | -0.030 | -0.031 | 33.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | W | 33 | ASN | 0 | 0.022 | 0.006 | 36.352 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | W | 34 | LEU | 0 | 0.074 | 0.034 | 40.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | W | 35 | GLN | 0 | -0.001 | 0.001 | 42.572 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | W | 36 | GLN | 0 | 0.051 | 0.023 | 37.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | W | 37 | ILE | 0 | 0.004 | 0.013 | 38.718 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | W | 38 | PHE | 0 | -0.001 | -0.001 | 41.430 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | W | 39 | GLN | 0 | 0.003 | 0.005 | 43.938 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | W | 40 | LYS | 1 | 0.898 | 0.956 | 37.125 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | W | 41 | ILE | 0 | 0.025 | 0.005 | 42.511 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | W | 42 | ILE | 0 | -0.015 | -0.014 | 44.449 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | W | 43 | GLN | 0 | -0.102 | -0.050 | 44.010 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | W | 44 | GLU | -1 | -0.917 | -0.954 | 39.753 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | W | 45 | ARG | 1 | 0.828 | 0.888 | 42.049 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | W | 46 | GLY | 0 | 0.021 | 0.044 | 47.262 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | W | 47 | PRO | 0 | -0.032 | -0.012 | 50.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | W | 48 | PHE | 0 | 0.054 | 0.002 | 47.019 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | W | 49 | ARG | 1 | 0.899 | 0.938 | 51.478 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | W | 50 | ASP | -1 | -0.854 | -0.923 | 52.595 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | W | 51 | LEU | 0 | -0.038 | 0.000 | 47.249 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | W | 52 | LYS | 1 | 0.836 | 0.910 | 50.368 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | W | 53 | GLU | -1 | -0.844 | -0.919 | 47.244 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | W | 54 | GLU | -1 | -0.829 | -0.906 | 48.468 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | W | 55 | ASP | -1 | -0.839 | -0.921 | 49.693 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | W | 56 | LEU | 0 | 0.059 | 0.034 | 43.292 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | W | 57 | GLN | 0 | -0.025 | -0.025 | 44.295 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | W | 58 | LYS | 1 | 0.821 | 0.903 | 45.140 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | W | 59 | GLU | -1 | -0.908 | -0.932 | 43.633 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | W | 60 | LEU | 0 | 0.045 | 0.001 | 39.929 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | W | 61 | GLN | 0 | -0.017 | 0.003 | 40.760 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | W | 62 | LYS | 1 | 0.941 | 0.955 | 42.220 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | W | 63 | GLU | -1 | -0.834 | -0.894 | 38.146 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | W | 64 | SER | 0 | -0.016 | -0.009 | 37.433 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | W | 65 | ILE | 0 | -0.074 | -0.026 | 38.084 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | W | 66 | LYS | 1 | 0.731 | 0.868 | 36.339 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | W | 84 | THR | 0 | 0.030 | 0.015 | 31.800 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | W | 85 | LEU | 0 | 0.014 | -0.015 | 25.860 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | W | 86 | ASP | -1 | -0.823 | -0.873 | 29.726 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | W | 87 | SER | 0 | 0.034 | 0.022 | 32.102 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | W | 88 | LYS | 1 | 0.811 | 0.878 | 33.919 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | W | 89 | ARG | 1 | 0.899 | 0.944 | 34.762 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | W | 90 | ASN | 0 | 0.034 | 0.029 | 40.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | W | 99 | MET | 0 | -0.008 | -0.016 | 55.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | W | 100 | ASP | -1 | -0.868 | -0.930 | 57.872 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | W | 101 | SER | 0 | 0.002 | -0.007 | 60.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | W | 102 | GLN | 0 | 0.031 | -0.004 | 61.087 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | W | 103 | ALA | 0 | 0.051 | 0.038 | 57.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | W | 104 | TYR | 0 | 0.025 | 0.006 | 59.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | W | 105 | LYS | 1 | 0.921 | 0.973 | 61.537 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | W | 106 | LYS | 1 | 0.792 | 0.889 | 55.070 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | W | 107 | GLU | -1 | -0.821 | -0.911 | 56.023 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | W | 108 | LEU | 0 | -0.051 | -0.019 | 59.719 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | W | 109 | ILE | 0 | -0.017 | -0.025 | 62.309 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | W | 110 | GLU | -1 | -0.834 | -0.911 | 56.049 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | W | 111 | GLN | 0 | 0.000 | -0.007 | 57.217 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | W | 112 | ILE | 0 | -0.037 | -0.012 | 61.552 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | W | 113 | MET | 0 | 0.006 | 0.002 | 62.454 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | W | 114 | ILE | 0 | 0.013 | 0.016 | 57.526 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | W | 115 | ALA | 0 | 0.022 | 0.014 | 61.569 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | W | 116 | GLN | 0 | -0.015 | -0.003 | 64.517 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | W | 117 | THR | 0 | 0.013 | -0.006 | 61.384 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | W | 118 | GLU | -1 | -0.930 | -0.950 | 61.137 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | W | 119 | CYS | 0 | -0.075 | -0.049 | 64.366 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | W | 120 | SER | 0 | -0.017 | -0.005 | 67.254 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | W | 121 | LEU | 0 | 0.022 | 0.012 | 62.077 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | W | 122 | ALA | 0 | -0.003 | 0.006 | 66.597 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | W | 123 | LEU | 0 | 0.015 | 0.023 | 68.694 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | W | 124 | ASP | -1 | -0.749 | -0.854 | 69.033 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | W | 125 | MET | 0 | -0.019 | 0.010 | 67.803 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | W | 126 | THR | 0 | -0.016 | -0.042 | 70.088 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | W | 127 | SER | 0 | -0.032 | -0.030 | 73.243 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | W | 128 | LEU | 0 | -0.009 | 0.002 | 70.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | W | 129 | LEU | 0 | -0.041 | -0.003 | 73.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | W | 130 | LEU | 0 | 0.001 | -0.007 | 75.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | W | 131 | SER | 0 | -0.035 | -0.034 | 76.573 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | W | 132 | LYS | 1 | 0.801 | 0.907 | 75.837 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | W | 133 | PHE | 0 | -0.073 | -0.044 | 77.986 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | W | 134 | LYS | 1 | 0.899 | 0.948 | 82.227 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | W | 135 | GLU | -1 | -0.801 | -0.898 | 82.381 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | W | 136 | ASN | 0 | -0.024 | -0.009 | 82.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | W | 137 | SER | 0 | -0.072 | -0.052 | 78.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | W | 138 | ILE | 0 | 0.041 | 0.019 | 78.107 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | W | 139 | GLU | -1 | -0.901 | -0.932 | 79.115 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | W | 140 | THR | 0 | -0.018 | -0.015 | 76.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | W | 141 | ILE | 0 | 0.009 | 0.024 | 72.142 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | W | 142 | SER | 0 | 0.013 | -0.012 | 70.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | W | 143 | PRO | 0 | -0.012 | -0.026 | 73.007 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | W | 144 | PHE | 0 | 0.027 | 0.032 | 64.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | W | 145 | LEU | 0 | 0.064 | 0.034 | 66.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | W | 146 | LYS | 1 | 0.797 | 0.895 | 70.159 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | W | 147 | SER | 0 | -0.068 | -0.042 | 72.104 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | W | 148 | THR | 0 | -0.061 | -0.030 | 66.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | W | 149 | VAL | 0 | -0.031 | -0.018 | 67.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | W | 150 | PRO | 0 | 0.009 | 0.024 | 70.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | W | 151 | PRO | 0 | 0.102 | 0.036 | 73.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | W | 152 | SER | 0 | 0.008 | -0.001 | 76.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | W | 153 | SER | 0 | -0.040 | -0.027 | 70.965 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | W | 154 | LEU | 0 | -0.020 | 0.009 | 68.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | W | 155 | GLN | 0 | 0.017 | -0.004 | 71.923 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | W | 156 | PHE | 0 | 0.026 | 0.023 | 72.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | W | 157 | SER | 0 | -0.022 | -0.025 | 73.635 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | W | 158 | ARG | 1 | 0.945 | 0.985 | 74.228 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | W | 159 | SER | 0 | 0.027 | 0.003 | 69.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | W | 160 | GLN | 0 | -0.005 | 0.001 | 69.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | W | 161 | PRO | 0 | -0.008 | 0.007 | 69.889 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | W | 162 | PRO | 0 | 0.019 | 0.005 | 65.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | W | 163 | GLU | -1 | -0.858 | -0.915 | 61.877 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | W | 164 | SER | 0 | -0.025 | -0.005 | 64.696 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | W | 165 | LYS | 1 | 0.889 | 0.929 | 59.621 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | W | 166 | GLU | -1 | -0.861 | -0.924 | 61.351 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | W | 167 | SER | 0 | -0.016 | -0.009 | 57.461 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | W | 168 | ASP | -1 | -0.912 | -0.965 | 59.754 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | W | 169 | ALA | 0 | 0.052 | 0.032 | 61.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | W | 170 | THR | 0 | -0.036 | -0.045 | 61.155 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | W | 171 | LEU | 0 | -0.011 | 0.013 | 58.103 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | W | 172 | ALA | 0 | 0.042 | 0.017 | 61.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | W | 173 | LYS | 1 | 0.860 | 0.928 | 64.616 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | W | 174 | CYS | 0 | -0.034 | -0.022 | 58.848 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | W | 175 | TRP | 0 | 0.048 | 0.012 | 59.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | W | 176 | LYS | 1 | 0.984 | 0.999 | 63.125 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | W | 177 | GLU | -1 | -0.832 | -0.915 | 64.293 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | W | 178 | LYS | 1 | 0.939 | 0.974 | 57.306 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | W | 179 | SER | 0 | -0.017 | 0.012 | 63.573 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | W | 180 | LEU | 0 | 0.022 | -0.003 | 66.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | W | 181 | THR | 0 | 0.001 | -0.008 | 63.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | W | 182 | SER | 0 | 0.016 | -0.006 | 63.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | W | 183 | SER | 0 | -0.043 | -0.005 | 65.202 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | W | 184 | CYS | 0 | -0.034 | -0.018 | 68.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | W | 185 | LYS | 1 | 0.868 | 0.914 | 62.069 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | W | 186 | PHE | 0 | -0.006 | -0.004 | 66.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | W | 187 | LEU | 0 | 0.005 | -0.009 | 67.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | W | 188 | PHE | 0 | -0.007 | 0.008 | 69.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | W | 189 | GLU | -1 | -0.778 | -0.871 | 64.456 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | W | 190 | ALA | 0 | -0.062 | -0.032 | 68.538 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | W | 191 | LYS | 1 | 0.871 | 0.915 | 71.296 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | W | 192 | GLU | -1 | -0.831 | -0.881 | 68.947 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | W | 193 | ARG | 1 | 0.974 | 0.983 | 69.061 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | W | 194 | LEU | 0 | -0.014 | -0.007 | 71.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | W | 195 | THR | 0 | -0.029 | -0.024 | 74.121 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | W | 196 | SER | 0 | -0.011 | 0.006 | 71.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | W | 197 | VAL | 0 | 0.017 | 0.003 | 73.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | W | 198 | VAL | 0 | 0.000 | -0.003 | 75.576 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | W | 199 | GLU | -1 | -0.966 | -0.971 | 74.925 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | W | 200 | THR | 0 | 0.008 | -0.003 | 74.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | W | 201 | GLU | -1 | -0.901 | -0.962 | 77.543 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | W | 202 | HIS | 0 | -0.018 | -0.013 | 80.493 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | W | 203 | GLU | -1 | -0.802 | -0.881 | 79.407 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | W | 204 | TYR | 0 | -0.020 | -0.023 | 80.741 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | W | 205 | TYR | 0 | -0.005 | -0.015 | 82.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | W | 206 | THR | 0 | -0.067 | -0.035 | 84.551 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | W | 207 | GLU | -1 | -0.792 | -0.876 | 84.205 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | W | 208 | LEU | 0 | -0.021 | -0.009 | 85.575 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | W | 209 | VAL | 0 | -0.046 | -0.010 | 88.717 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | W | 210 | LYS | 1 | 0.905 | 0.945 | 86.929 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | W | 211 | VAL | 0 | -0.027 | -0.014 | 89.105 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | W | 212 | LYS | 1 | 0.963 | 0.980 | 92.076 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | W | 213 | GLU | -1 | -0.929 | -0.968 | 93.860 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | W | 214 | ALA | 0 | -0.074 | -0.036 | 94.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | W | 215 | SER | 0 | -0.060 | -0.032 | 96.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | W | 216 | TRP | 0 | 0.012 | 0.015 | 94.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | W | 217 | PRO | 0 | -0.036 | -0.011 | 95.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | W | 218 | LEU | 0 | -0.009 | -0.023 | 90.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | W | 219 | PHE | 0 | -0.004 | 0.006 | 92.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | W | 220 | ASN | 0 | 0.012 | 0.006 | 88.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | W | 221 | SER | 0 | 0.020 | 0.012 | 85.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | W | 222 | GLN | 0 | 0.007 | -0.001 | 84.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | W | 223 | GLY | 0 | 0.005 | 0.010 | 83.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | W | 224 | SER | 0 | -0.069 | -0.038 | 83.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | W | 225 | ASN | 0 | -0.053 | -0.023 | 80.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | W | 226 | HIS | 0 | 0.045 | 0.016 | 78.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | W | 227 | LEU | 0 | 0.034 | 0.029 | 84.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | W | 228 | SER | 0 | -0.029 | -0.022 | 86.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | W | 229 | VAL | 0 | 0.030 | 0.022 | 88.919 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | W | 230 | GLN | 0 | -0.016 | -0.025 | 91.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | W | 231 | TYR | 0 | 0.082 | 0.036 | 89.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | W | 232 | SER | 0 | -0.011 | -0.012 | 94.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | W | 233 | CYS | 0 | -0.076 | -0.029 | 97.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | W | 234 | LEU | 0 | -0.020 | -0.009 | 98.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | W | 235 | GLY | 0 | -0.003 | 0.000 | 101.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | W | 236 | GLY | 0 | -0.025 | -0.005 | 100.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | W | 237 | ILE | 0 | -0.051 | -0.025 | 101.089 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | W | 238 | SER | 0 | -0.053 | -0.059 | 96.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | W | 239 | LEU | 0 | 0.004 | 0.011 | 96.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | W | 240 | GLY | 0 | 0.003 | -0.005 | 93.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | W | 241 | LEU | 0 | -0.029 | -0.023 | 90.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | W | 242 | GLY | 0 | 0.009 | -0.002 | 87.504 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | W | 243 | LEU | 0 | -0.053 | -0.011 | 81.425 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | W | 244 | ILE | 0 | 0.032 | 0.017 | 83.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | W | 245 | ARG | 1 | 0.818 | 0.886 | 76.671 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | W | 246 | MET | 0 | 0.028 | 0.015 | 76.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | W | 247 | LYS | 1 | 0.844 | 0.903 | 73.963 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | W | 248 | PRO | 0 | -0.001 | -0.012 | 71.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | W | 249 | GLU | -1 | -0.941 | -0.969 | 67.252 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | W | 250 | SER | 0 | -0.043 | -0.023 | 70.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | W | 251 | LYS | 1 | 0.801 | 0.890 | 73.501 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | W | 252 | SER | 0 | 0.006 | 0.015 | 75.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | W | 253 | PHE | 0 | 0.016 | -0.004 | 78.461 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | W | 254 | GLU | -1 | -0.749 | -0.833 | 77.946 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | W | 255 | VAL | 0 | -0.001 | 0.008 | 81.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | W | 256 | GLN | 0 | 0.013 | 0.021 | 78.984 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | W | 257 | SER | 0 | 0.044 | 0.004 | 83.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | W | 258 | SER | 0 | -0.003 | -0.006 | 84.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | W | 259 | LEU | 0 | 0.004 | 0.022 | 86.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | W | 260 | LEU | 0 | 0.043 | 0.022 | 84.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | W | 261 | TYR | 0 | 0.028 | 0.016 | 84.331 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | W | 262 | SER | 0 | -0.052 | -0.032 | 83.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | W | 263 | GLN | 0 | 0.025 | 0.002 | 85.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | W | 264 | ALA | 0 | 0.023 | 0.002 | 88.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | W | 265 | ALA | 0 | 0.014 | 0.016 | 91.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | W | 266 | LEU | 0 | 0.004 | 0.015 | 95.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | W | 267 | LYS | 1 | 0.817 | 0.912 | 95.058 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | W | 268 | ILE | 0 | -0.011 | -0.001 | 98.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | W | 269 | SER | 0 | -0.029 | -0.038 | 100.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | W | 270 | ILE | 0 | 0.005 | 0.007 | 102.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | W | 271 | LEU | 0 | -0.006 | 0.001 | 99.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | W | 272 | ASN | 0 | 0.032 | -0.008 | 103.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | W | 273 | LYS | 1 | 0.838 | 0.905 | 104.897 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | W | 274 | ASP | -1 | -0.841 | -0.909 | 101.927 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | W | 275 | ARG | 1 | 0.740 | 0.859 | 99.939 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | W | 276 | ASP | -1 | -0.832 | -0.890 | 99.147 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | W | 277 | GLU | -1 | -0.821 | -0.900 | 97.160 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | W | 278 | ILE | 0 | -0.046 | -0.015 | 100.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | W | 279 | GLY | 0 | -0.028 | -0.019 | 102.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | W | 280 | SER | 0 | -0.041 | -0.061 | 98.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | W | 281 | SER | 0 | 0.008 | -0.011 | 100.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | W | 282 | THR | 0 | 0.000 | 0.009 | 95.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | W | 283 | TRP | 0 | -0.047 | -0.030 | 98.710 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | W | 284 | SER | 0 | -0.013 | -0.015 | 96.851 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | W | 285 | TRP | 0 | 0.017 | 0.006 | 96.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | W | 286 | PRO | 0 | -0.002 | -0.010 | 97.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | W | 287 | SER | 0 | -0.043 | -0.014 | 94.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | W | 288 | GLN | 0 | -0.005 | 0.013 | 95.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | W | 289 | ASN | 0 | 0.000 | -0.010 | 93.882 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | W | 290 | CYS | 0 | 0.014 | 0.014 | 92.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | W | 291 | ASN | 0 | 0.028 | 0.016 | 90.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | W | 292 | SER | 0 | -0.014 | -0.029 | 86.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | W | 293 | VAL | 0 | 0.025 | 0.000 | 82.508 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | W | 294 | LEU | 0 | 0.059 | 0.042 | 84.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | W | 295 | LEU | 0 | 0.041 | 0.000 | 86.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | W | 296 | LYS | 1 | 0.852 | 0.936 | 87.745 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | W | 297 | ASP | -1 | -0.854 | -0.924 | 83.971 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | W | 298 | ILE | 0 | -0.040 | -0.020 | 87.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | W | 299 | TYR | 0 | 0.025 | -0.001 | 90.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | W | 300 | LYS | 1 | 0.833 | 0.938 | 87.568 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | W | 301 | LEU | 0 | -0.021 | -0.025 | 86.588 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | W | 302 | GLN | 0 | -0.030 | -0.012 | 90.683 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | W | 303 | GLU | -1 | -0.863 | -0.932 | 92.849 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | W | 304 | ILE | 0 | -0.005 | -0.003 | 88.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | W | 305 | LEU | 0 | -0.004 | 0.004 | 92.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | W | 306 | PHE | 0 | 0.018 | 0.018 | 94.579 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | W | 307 | GLU | -1 | -0.753 | -0.878 | 94.903 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | W | 308 | MET | 0 | -0.014 | -0.005 | 91.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | W | 309 | ASP | -1 | -0.718 | -0.807 | 95.933 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | W | 310 | ILE | 0 | -0.012 | 0.019 | 99.272 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | W | 311 | TRP | 0 | 0.041 | 0.015 | 95.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | W | 312 | ASN | 0 | -0.037 | -0.039 | 95.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | W | 313 | SER | 0 | -0.044 | -0.034 | 99.962 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | W | 314 | LEU | 0 | 0.010 | -0.004 | 102.251 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | W | 315 | LEU | 0 | 0.030 | 0.023 | 97.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | W | 316 | GLN | 0 | -0.040 | -0.017 | 102.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | W | 317 | GLU | -1 | -0.765 | -0.872 | 104.848 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | W | 318 | ALA | 0 | 0.031 | 0.007 | 104.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | W | 319 | GLN | 0 | -0.046 | -0.028 | 102.633 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | W | 320 | SER | 0 | -0.055 | -0.015 | 107.145 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | W | 321 | CYS | 0 | -0.079 | -0.036 | 110.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | W | 322 | GLY | 0 | 0.103 | 0.059 | 109.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | W | 323 | ASN | 0 | -0.056 | -0.035 | 110.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | W | 324 | GLN | 0 | -0.053 | -0.033 | 113.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | W | 325 | GLY | 0 | 0.008 | 0.009 | 111.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | W | 326 | VAL | 0 | -0.065 | -0.024 | 107.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | W | 327 | ASN | 0 | 0.027 | 0.000 | 102.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | W | 328 | PHE | 0 | -0.020 | -0.018 | 97.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | W | 329 | THR | 0 | -0.015 | -0.012 | 96.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | W | 330 | GLY | 0 | -0.031 | -0.015 | 94.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | W | 331 | ASP | -1 | -0.917 | -0.951 | 92.339 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | W | 332 | GLU | -1 | -0.858 | -0.906 | 94.577 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | W | 333 | ILE | 0 | -0.005 | 0.011 | 97.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | W | 334 | LEU | 0 | -0.010 | -0.014 | 100.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | W | 335 | VAL | 0 | 0.001 | -0.002 | 103.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | W | 336 | PRO | 0 | -0.003 | 0.019 | 107.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | W | 337 | ILE | 0 | 0.008 | -0.006 | 109.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | W | 338 | SER | 0 | -0.057 | -0.055 | 112.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | W | 339 | ASP | -1 | -0.936 | -0.958 | 112.850 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | W | 340 | ASP | -1 | -0.832 | -0.897 | 108.771 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | W | 341 | HIS | 0 | -0.008 | 0.008 | 107.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | W | 342 | VAL | 0 | -0.023 | -0.022 | 104.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | W | 343 | VAL | 0 | -0.010 | 0.007 | 105.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | W | 344 | ARG | 1 | 0.875 | 0.914 | 94.696 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | W | 345 | ILE | 0 | 0.001 | -0.006 | 100.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | W | 346 | THR | 0 | 0.014 | -0.003 | 94.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | W | 347 | LEU | 0 | 0.022 | 0.027 | 93.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | W | 348 | GLU | -1 | -0.837 | -0.913 | 92.148 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | W | 349 | THR | 0 | -0.030 | -0.025 | 88.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | W | 350 | SER | 0 | -0.048 | -0.020 | 84.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | W | 351 | SER | 0 | 0.064 | 0.024 | 82.385 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | W | 352 | LYS | 1 | 0.799 | 0.905 | 77.970 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | W | 378 | GLU | -1 | -0.924 | -0.971 | 110.236 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | W | 379 | LYS | 1 | 0.984 | 0.973 | 102.643 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | W | 380 | GLU | -1 | -0.915 | -0.950 | 106.149 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | W | 381 | LEU | 0 | 0.066 | 0.044 | 107.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | W | 382 | LEU | 0 | 0.009 | 0.006 | 105.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | W | 383 | LYS | 1 | 0.881 | 0.935 | 99.363 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | W | 384 | CYS | 0 | 0.064 | 0.036 | 105.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | W | 385 | LEU | 0 | -0.027 | 0.006 | 108.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | W | 386 | CYS | 0 | -0.042 | -0.019 | 103.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | W | 387 | ASP | -1 | -0.825 | -0.892 | 103.493 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | W | 388 | THR | 0 | -0.068 | -0.045 | 105.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | W | 389 | LEU | 0 | -0.019 | -0.018 | 107.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | W | 390 | ASN | 0 | -0.015 | -0.022 | 100.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | W | 391 | ALA | 0 | 0.012 | 0.013 | 105.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | W | 392 | ILE | 0 | -0.034 | -0.020 | 107.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | W | 393 | ALA | 0 | 0.018 | 0.012 | 105.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | W | 394 | HIS | 0 | -0.017 | -0.001 | 102.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | W | 395 | ILE | 0 | -0.011 | -0.005 | 106.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | W | 396 | LEU | 0 | -0.012 | -0.013 | 109.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | W | 397 | PHE | 0 | 0.032 | 0.019 | 102.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | W | 398 | LEU | 0 | 0.004 | 0.010 | 107.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | W | 399 | LYS | 1 | 0.910 | 0.950 | 108.218 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | W | 400 | HIS | 0 | 0.001 | 0.000 | 107.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | W | 401 | CYS | 0 | -0.028 | -0.017 | 105.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | W | 402 | ARG | 1 | 0.765 | 0.856 | 108.220 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | W | 403 | LYS | 1 | 0.820 | 0.921 | 111.375 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | W | 404 | SER | 0 | -0.006 | -0.009 | 112.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | W | 405 | ASP | -1 | -0.885 | -0.930 | 110.703 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | W | 406 | ARG | 1 | 0.893 | 0.922 | 113.746 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | W | 407 | ARG | 1 | 0.967 | 0.992 | 116.566 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | W | 408 | SER | 0 | -0.040 | -0.030 | 118.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | W | 409 | GLN | 0 | 0.072 | 0.037 | 119.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | W | 410 | GLN | 0 | -0.012 | -0.002 | 122.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | W | 411 | PRO | 0 | 0.021 | 0.023 | 125.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | W | 412 | GLU | -1 | -0.873 | -0.960 | 126.143 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | W | 413 | LEU | 0 | -0.116 | -0.044 | 121.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | W | 414 | TYR | 0 | 0.016 | -0.009 | 117.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | W | 415 | MET | 0 | -0.016 | 0.000 | 121.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | W | 416 | ALA | 0 | -0.015 | -0.004 | 117.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | W | 417 | ILE | 0 | 0.013 | 0.003 | 113.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | W | 418 | ASP | -1 | -0.769 | -0.880 | 110.627 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | W | 419 | ALA | 0 | -0.064 | -0.028 | 113.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | W | 420 | ASN | 0 | -0.072 | -0.044 | 110.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | W | 421 | ALA | 0 | 0.000 | 0.003 | 108.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | W | 422 | PRO | 0 | -0.021 | 0.007 | 106.641 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | W | 423 | LEU | 0 | -0.028 | -0.019 | 109.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | W | 424 | ILE | 0 | 0.005 | -0.008 | 105.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | W | 425 | LEU | 0 | 0.044 | 0.008 | 106.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | W | 426 | ARG | 1 | 0.836 | 0.917 | 110.225 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | W | 427 | PRO | 0 | 0.000 | -0.006 | 113.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | W | 428 | LEU | 0 | -0.012 | 0.006 | 109.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | W | 429 | ILE | 0 | 0.026 | 0.014 | 112.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | W | 430 | PHE | 0 | -0.013 | 0.007 | 114.419 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | W | 431 | TYR | 0 | 0.005 | -0.014 | 116.830 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | W | 432 | TYR | 0 | -0.006 | -0.002 | 113.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | W | 433 | ASN | 0 | 0.006 | -0.001 | 116.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | W | 434 | LEU | 0 | -0.001 | 0.008 | 119.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | W | 435 | ASN | 0 | -0.026 | -0.008 | 118.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | W | 436 | GLN | 0 | 0.048 | 0.038 | 117.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | W | 437 | GLU | -1 | -0.827 | -0.932 | 120.775 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | W | 438 | SER | 0 | -0.029 | -0.039 | 124.175 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | W | 439 | LEU | 0 | -0.033 | 0.002 | 120.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | W | 440 | GLU | -1 | -0.817 | -0.909 | 123.442 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | W | 441 | PHE | 0 | -0.011 | -0.007 | 125.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | W | 442 | GLN | 0 | -0.029 | -0.033 | 126.308 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | W | 443 | ARG | 1 | 0.958 | 0.990 | 119.113 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | W | 444 | TRP | 0 | -0.002 | 0.004 | 127.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | W | 445 | LEU | 0 | -0.023 | -0.018 | 130.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | W | 446 | LYS | 1 | 0.835 | 0.912 | 129.764 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | W | 447 | GLN | 0 | -0.051 | -0.013 | 129.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | W | 448 | ARG | 1 | 0.831 | 0.903 | 131.424 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | W | 449 | ASP | -1 | -0.880 | -0.925 | 134.422 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | W | 450 | ILE | 0 | 0.042 | 0.039 | 135.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | W | 451 | SER | 0 | -0.025 | -0.008 | 136.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | W | 452 | PHE | 0 | 0.017 | -0.009 | 130.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | W | 453 | LYS | 1 | 0.904 | 0.945 | 134.322 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | W | 454 | PHE | 0 | 0.076 | 0.028 | 125.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | W | 455 | MET | 0 | -0.062 | -0.032 | 131.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | W | 456 | PRO | 0 | 0.032 | 0.033 | 127.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | W | 457 | ASN | 0 | -0.015 | -0.020 | 128.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | W | 458 | TYR | 0 | 0.019 | 0.014 | 122.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | W | 459 | PRO | 0 | 0.018 | 0.018 | 122.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | W | 460 | TRP | 0 | -0.008 | -0.022 | 119.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | W | 461 | GLU | -1 | -0.858 | -0.923 | 121.674 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | W | 462 | LYS | 1 | 0.818 | 0.907 | 124.174 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | W | 463 | ALA | 0 | -0.051 | -0.023 | 120.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | W | 464 | LYS | 1 | 0.839 | 0.901 | 122.177 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | W | 465 | ASP | -1 | -0.812 | -0.898 | 118.535 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | W | 466 | PHE | 0 | 0.104 | 0.024 | 112.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | W | 467 | LEU | 0 | 0.014 | 0.027 | 115.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | W | 468 | GLU | -1 | -0.840 | -0.900 | 117.133 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | W | 469 | LEU | 0 | 0.006 | 0.008 | 115.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | W | 470 | GLU | -1 | -0.745 | -0.840 | 112.913 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | W | 471 | ASN | 0 | -0.052 | -0.033 | 116.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | W | 472 | SER | 0 | -0.044 | -0.021 | 119.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | W | 473 | LEU | 0 | 0.011 | -0.004 | 114.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | W | 474 | SER | 0 | -0.051 | -0.026 | 116.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | W | 475 | ILE | 0 | -0.064 | 0.000 | 117.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | W | 476 | ASN | 0 | 0.022 | 0.002 | 121.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | W | 477 | ARG | 1 | 0.839 | 0.885 | 122.552 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | W | 478 | LEU | 0 | 0.016 | 0.017 | 123.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | W | 479 | SER | 0 | -0.042 | -0.036 | 127.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | W | 480 | ILE | 0 | 0.004 | 0.021 | 126.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | W | 481 | SER | 0 | -0.014 | -0.014 | 130.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | W | 482 | TRP | 0 | 0.046 | 0.039 | 128.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | W | 483 | ARG | 1 | 0.908 | 0.946 | 134.739 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | W | 484 | ILE | 0 | 0.006 | -0.002 | 135.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | W | 485 | MET | 0 | -0.033 | -0.023 | 138.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | W | 486 | VAL | 0 | 0.057 | 0.031 | 141.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | W | 487 | SER | 0 | 0.036 | 0.010 | 142.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | W | 488 | ASN | 0 | -0.062 | -0.034 | 145.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | W | 489 | PHE | 0 | -0.005 | 0.003 | 147.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | W | 490 | GLU | -1 | -0.883 | -0.925 | 146.756 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | W | 491 | PRO | 0 | -0.059 | -0.019 | 147.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | W | 492 | ALA | 0 | -0.045 | -0.034 | 142.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | W | 493 | ILE | 0 | 0.030 | 0.029 | 140.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | W | 494 | PHE | 0 | -0.070 | -0.052 | 139.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | W | 495 | ILE | 0 | -0.002 | 0.004 | 133.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | W | 496 | GLN | 0 | -0.022 | 0.002 | 133.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | W | 497 | HIS | 0 | 0.023 | 0.023 | 126.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | W | 498 | THR | 0 | -0.034 | -0.038 | 129.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | W | 499 | PRO | 0 | 0.018 | 0.016 | 124.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | W | 500 | THR | 0 | -0.045 | -0.034 | 124.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | W | 501 | LEU | 0 | -0.006 | 0.002 | 116.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | W | 502 | HIS | 0 | 0.039 | 0.011 | 118.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | W | 503 | GLY | 0 | 0.001 | 0.005 | 121.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | W | 504 | THR | 0 | 0.014 | -0.004 | 123.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | W | 505 | ASP | -1 | -0.774 | -0.846 | 126.174 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | W | 506 | LYS | 1 | 0.895 | 0.956 | 128.186 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | W | 507 | SER | 0 | -0.052 | -0.033 | 129.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | W | 508 | VAL | 0 | 0.031 | 0.024 | 126.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | W | 509 | TRP | 0 | 0.030 | 0.023 | 127.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | W | 510 | ARG | 1 | 0.845 | 0.925 | 132.048 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | W | 511 | CYS | 0 | -0.015 | -0.004 | 136.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | W | 512 | LYS | 1 | 0.981 | 0.987 | 138.917 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | W | 513 | ASP | -1 | -0.745 | -0.840 | 142.369 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | W | 514 | GLN | 0 | 0.020 | 0.007 | 145.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | W | 515 | TYR | 0 | -0.014 | -0.016 | 148.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | W | 516 | SER | 0 | -0.063 | -0.035 | 145.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | W | 517 | SER | 0 | 0.010 | -0.003 | 142.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | W | 518 | ASN | 0 | -0.022 | -0.005 | 140.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | W | 519 | GLN | 0 | 0.007 | 0.004 | 135.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | W | 520 | PHE | 0 | 0.013 | 0.002 | 133.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | W | 521 | SER | 0 | 0.015 | -0.004 | 129.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | W | 522 | SER | 0 | 0.002 | -0.015 | 127.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | W | 523 | LEU | 0 | 0.060 | 0.046 | 126.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | W | 524 | LYS | 1 | 0.918 | 0.931 | 127.017 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | W | 525 | ASN | 0 | -0.026 | 0.012 | 130.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | W | 526 | VAL | 0 | 0.027 | 0.010 | 132.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | W | 527 | CYS | 0 | -0.036 | -0.006 | 131.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | W | 528 | GLN | 0 | 0.030 | 0.016 | 133.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | W | 529 | TYR | 0 | -0.037 | -0.017 | 136.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | W | 530 | ILE | 0 | 0.004 | -0.002 | 135.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | W | 531 | GLU | -1 | -0.833 | -0.916 | 136.588 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | W | 532 | HIS | 0 | -0.031 | -0.010 | 139.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | W | 533 | HIS | 0 | -0.061 | -0.065 | 141.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | W | 534 | ILE | 0 | -0.018 | 0.002 | 141.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | W | 535 | ASN | 0 | 0.031 | 0.018 | 143.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | W | 536 | SER | 0 | -0.034 | -0.004 | 144.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | W | 537 | LEU | 0 | -0.014 | -0.008 | 142.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | W | 538 | SER | 0 | -0.087 | -0.031 | 139.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |