FMODB ID: MNG4Z
Calculation Name: 4K3B-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4K3B
Chain ID: A
UniProt ID: Q5F5W8
Base Structure: X-ray
Registration Date: 2023-09-24
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 | 772 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -16153987.930957 |
---|---|
FMO2-HF: Nuclear repulsion | 15855365.589761 |
FMO2-HF: Total energy | -298622.341196 |
FMO2-MP2: Total energy | -299503.419933 |
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(A:21:ALA)
Summations of interaction energy for
fragment #1(A:21: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. |
-0.704 | 1.818 | 0.034 | -1.418 | -1.138 | 0.003 |
Interaction energy analysis for fragmet #1(A:21: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 | A | 23 | PHE | 0 | -0.044 | -0.022 | 3.434 | -0.921 | 1.601 | 0.034 | -1.418 | -1.138 | 0.003 |
4 | A | 24 | THR | 0 | -0.043 | -0.008 | 6.184 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 25 | ILE | 0 | -0.014 | 0.008 | 9.833 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 26 | GLN | 0 | 0.011 | -0.002 | 11.933 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 27 | ASP | -1 | -0.828 | -0.907 | 14.322 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 28 | ILE | 0 | -0.027 | 0.000 | 14.564 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 29 | ARG | 1 | 0.848 | 0.915 | 16.414 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 30 | VAL | 0 | 0.030 | 0.015 | 18.205 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 31 | GLU | -1 | -0.888 | -0.926 | 19.418 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 32 | GLY | 0 | 0.036 | 0.019 | 22.201 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 33 | LEU | 0 | -0.009 | 0.010 | 24.730 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 34 | GLN | 0 | -0.066 | -0.039 | 27.064 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 35 | ARG | 1 | 0.903 | 0.940 | 30.667 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 36 | THR | 0 | 0.013 | 0.003 | 28.474 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 37 | GLU | -1 | -0.837 | -0.873 | 29.897 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 38 | PRO | 0 | 0.044 | 0.028 | 25.011 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 39 | SER | 0 | -0.032 | -0.048 | 25.422 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 40 | THR | 0 | 0.004 | 0.002 | 27.180 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 41 | VAL | 0 | 0.015 | 0.011 | 22.114 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 42 | PHE | 0 | -0.008 | -0.023 | 19.915 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 43 | ASN | 0 | -0.086 | -0.050 | 22.903 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 44 | TYR | 0 | -0.050 | -0.033 | 22.857 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 45 | LEU | 0 | -0.017 | 0.008 | 17.970 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 46 | PRO | 0 | -0.033 | -0.020 | 17.031 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 47 | VAL | 0 | -0.008 | 0.008 | 14.158 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 48 | LYS | 1 | 0.843 | 0.909 | 17.303 | 0.470 | 0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 49 | VAL | 0 | 0.005 | 0.007 | 16.355 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 50 | GLY | 0 | 0.013 | 0.005 | 15.282 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 51 | ASP | -1 | -0.854 | -0.920 | 14.284 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 52 | THR | 0 | -0.007 | -0.006 | 10.551 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 53 | TYR | 0 | -0.047 | -0.035 | 7.460 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 54 | ASN | 0 | 0.073 | 0.042 | 6.688 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 55 | ASP | -1 | -0.882 | -0.950 | 6.276 | -1.154 | -1.154 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 56 | THR | 0 | -0.002 | -0.018 | 7.873 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 57 | HIS | 0 | 0.002 | 0.007 | 11.031 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 58 | GLY | 0 | 0.067 | 0.045 | 10.427 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 59 | SER | 0 | 0.024 | 0.001 | 11.412 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 60 | ALA | 0 | -0.050 | -0.029 | 13.640 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 61 | ILE | 0 | 0.010 | 0.005 | 14.250 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 62 | ILE | 0 | 0.030 | 0.028 | 15.330 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 63 | LYS | 1 | 0.898 | 0.940 | 15.572 | 0.600 | 0.600 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 64 | SER | 0 | -0.002 | 0.000 | 19.547 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 65 | LEU | 0 | -0.040 | -0.002 | 19.060 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 66 | TYR | 0 | -0.025 | -0.017 | 19.721 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 67 | ALA | 0 | -0.024 | -0.001 | 23.738 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 68 | THR | 0 | 0.004 | -0.001 | 25.874 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 69 | GLY | 0 | -0.005 | 0.001 | 27.309 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 70 | PHE | 0 | -0.014 | -0.007 | 27.902 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 71 | PHE | 0 | -0.031 | -0.034 | 24.284 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 72 | ASP | -1 | -0.923 | -0.945 | 26.965 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 73 | ASP | -1 | -0.854 | -0.923 | 21.616 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 74 | VAL | 0 | -0.045 | -0.025 | 18.877 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 75 | ARG | 1 | 0.880 | 0.949 | 15.832 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 76 | VAL | 0 | -0.019 | -0.012 | 11.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 77 | GLU | -1 | -0.866 | -0.924 | 11.382 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 78 | THR | 0 | -0.050 | -0.023 | 6.739 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 79 | ALA | 0 | 0.046 | 0.014 | 7.833 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 80 | ASP | -1 | -0.914 | -0.954 | 8.082 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 81 | GLY | 0 | 0.013 | 0.014 | 8.430 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 82 | GLN | 0 | -0.049 | -0.051 | 10.193 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 83 | LEU | 0 | -0.010 | -0.013 | 10.380 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 84 | LEU | 0 | -0.016 | 0.014 | 12.533 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 85 | LEU | 0 | -0.011 | -0.017 | 14.627 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 86 | THR | 0 | -0.017 | -0.029 | 17.308 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 87 | VAL | 0 | -0.040 | -0.027 | 19.616 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 88 | ILE | 0 | -0.042 | -0.021 | 22.391 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 89 | GLU | -1 | -0.799 | -0.899 | 25.405 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 90 | ARG | 1 | 0.843 | 0.918 | 27.706 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 91 | PRO | 0 | -0.028 | 0.004 | 30.650 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 92 | THR | 0 | 0.052 | 0.026 | 34.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 93 | ILE | 0 | 0.003 | 0.017 | 37.326 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 94 | GLY | 0 | 0.000 | 0.006 | 40.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 95 | SER | 0 | -0.036 | -0.020 | 43.540 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 96 | LEU | 0 | 0.001 | 0.015 | 44.860 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 97 | ASN | 0 | -0.070 | -0.029 | 46.835 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 98 | ILE | 0 | 0.047 | 0.017 | 49.232 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 99 | THR | 0 | -0.027 | -0.005 | 51.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 100 | GLY | 0 | 0.062 | 0.040 | 54.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 101 | ALA | 0 | -0.092 | -0.056 | 56.220 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 102 | LYS | 1 | 0.797 | 0.904 | 57.719 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 103 | MET | 0 | -0.029 | -0.012 | 60.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 104 | LEU | 0 | 0.001 | 0.003 | 55.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 105 | GLN | 0 | 0.030 | 0.017 | 58.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 106 | ASN | 0 | 0.010 | -0.023 | 55.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 107 | ASP | -1 | -0.800 | -0.905 | 54.316 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 108 | ALA | 0 | 0.021 | 0.025 | 54.351 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 109 | ILE | 0 | 0.030 | 0.012 | 52.055 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 110 | LYS | 1 | 0.859 | 0.945 | 49.205 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 111 | LYS | 1 | 0.831 | 0.896 | 49.563 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 112 | ASN | 0 | -0.024 | -0.001 | 49.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 113 | LEU | 0 | 0.019 | 0.025 | 45.745 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 114 | GLU | -1 | -0.860 | -0.947 | 45.236 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 115 | SER | 0 | -0.079 | -0.049 | 45.708 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 116 | PHE | 0 | -0.035 | -0.017 | 41.830 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 117 | GLY | 0 | 0.014 | 0.018 | 41.400 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 118 | LEU | 0 | -0.060 | -0.051 | 40.233 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 119 | ALA | 0 | 0.075 | 0.028 | 42.504 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 120 | GLN | 0 | -0.038 | -0.050 | 42.878 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 121 | SER | 0 | -0.044 | -0.018 | 40.206 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 122 | GLN | 0 | 0.013 | 0.020 | 38.967 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 123 | TYR | 0 | -0.026 | -0.038 | 31.930 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 124 | PHE | 0 | -0.028 | -0.018 | 35.277 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 125 | ASN | 0 | 0.074 | 0.022 | 33.202 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 126 | GLN | 0 | 0.001 | 0.004 | 34.281 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 127 | ALA | 0 | 0.001 | 0.005 | 33.535 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 128 | THR | 0 | 0.068 | 0.022 | 35.616 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 129 | LEU | 0 | -0.001 | 0.008 | 38.210 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 130 | ASN | 0 | 0.022 | 0.001 | 37.418 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 131 | GLN | 0 | 0.011 | 0.007 | 38.047 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 132 | ALA | 0 | 0.031 | 0.027 | 41.345 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 133 | VAL | 0 | -0.022 | -0.015 | 43.622 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 134 | ALA | 0 | -0.021 | -0.012 | 43.621 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 135 | GLY | 0 | 0.018 | 0.013 | 45.500 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 136 | LEU | 0 | 0.020 | -0.006 | 47.394 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 137 | LYS | 1 | 0.898 | 0.965 | 48.283 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 138 | GLU | -1 | -0.802 | -0.892 | 49.519 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 139 | GLU | -1 | -0.803 | -0.859 | 51.350 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 140 | TYR | 0 | -0.082 | -0.074 | 52.705 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 141 | LEU | 0 | 0.003 | -0.010 | 52.224 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 142 | GLY | 0 | 0.013 | 0.028 | 55.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 143 | ARG | 1 | 0.743 | 0.838 | 56.601 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 144 | GLY | 0 | 0.082 | 0.044 | 59.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 145 | LYS | 1 | 0.734 | 0.877 | 56.924 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 146 | LEU | 0 | 0.064 | 0.036 | 56.570 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 147 | ASN | 0 | -0.018 | -0.013 | 55.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 148 | ILE | 0 | -0.025 | -0.027 | 51.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 149 | GLN | 0 | -0.031 | 0.001 | 51.314 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 150 | ILE | 0 | 0.028 | 0.008 | 47.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 151 | THR | 0 | 0.007 | 0.002 | 46.769 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 152 | PRO | 0 | 0.011 | -0.005 | 42.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 153 | LYS | 1 | 0.968 | 0.997 | 43.446 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 154 | VAL | 0 | 0.023 | 0.012 | 38.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 155 | THR | 0 | -0.024 | -0.015 | 40.996 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 156 | LYS | 1 | 0.858 | 0.927 | 34.377 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 157 | LEU | 0 | 0.038 | 0.035 | 39.172 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 158 | ALA | 0 | 0.018 | 0.018 | 39.277 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 159 | ARG | 1 | 0.898 | 0.949 | 37.724 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 160 | ASN | 0 | 0.144 | 0.044 | 34.465 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 161 | ARG | 1 | 0.784 | 0.881 | 35.554 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 162 | VAL | 0 | -0.022 | -0.006 | 37.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 163 | ASP | -1 | -0.766 | -0.858 | 39.476 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 164 | ILE | 0 | 0.013 | -0.003 | 41.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 165 | ASP | -1 | -0.845 | -0.904 | 44.113 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 166 | ILE | 0 | -0.024 | -0.017 | 45.406 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 167 | THR | 0 | 0.002 | 0.012 | 48.280 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 168 | ILE | 0 | -0.001 | -0.017 | 50.615 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 169 | ASP | -1 | -0.851 | -0.923 | 53.235 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 170 | GLU | -1 | -0.730 | -0.854 | 55.450 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 171 | GLY | 0 | 0.035 | 0.033 | 57.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 172 | LYS | 1 | 0.916 | 0.940 | 59.457 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 173 | SER | 0 | -0.067 | -0.051 | 62.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 174 | ALA | 0 | 0.012 | 0.037 | 61.609 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 175 | LYS | 1 | 0.835 | 0.904 | 63.564 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 176 | ILE | 0 | 0.000 | 0.006 | 66.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 177 | THR | 0 | -0.148 | -0.116 | 68.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 178 | ASP | -1 | -0.840 | -0.877 | 69.998 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 179 | ILE | 0 | -0.027 | -0.034 | 69.646 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 180 | GLU | -1 | -0.868 | -0.914 | 70.079 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 181 | PHE | 0 | -0.020 | -0.028 | 69.978 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 182 | GLU | -1 | -0.839 | -0.899 | 68.250 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 183 | GLY | 0 | 0.047 | 0.027 | 70.076 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 184 | ASN | 0 | 0.002 | -0.017 | 72.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 185 | GLN | 0 | -0.025 | -0.016 | 74.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 186 | VAL | 0 | -0.075 | -0.040 | 77.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 187 | TYR | 0 | -0.044 | -0.050 | 77.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 188 | SER | 0 | 0.028 | 0.007 | 78.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 189 | ASP | -1 | -0.712 | -0.848 | 74.861 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 190 | ARG | 1 | 0.955 | 0.972 | 76.415 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 191 | LYS | 1 | 0.730 | 0.871 | 79.032 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 192 | LEU | 0 | 0.048 | 0.027 | 73.430 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 193 | MET | 0 | 0.060 | 0.024 | 73.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 194 | ARG | 1 | 0.834 | 0.931 | 74.921 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 195 | GLN | 0 | -0.024 | -0.011 | 74.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 196 | MET | 0 | -0.018 | 0.031 | 69.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 197 | SER | 0 | -0.060 | -0.058 | 70.365 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 198 | LEU | 0 | -0.056 | -0.016 | 66.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 199 | THR | 0 | -0.016 | -0.013 | 70.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 200 | GLU | -1 | -0.763 | -0.881 | 71.340 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 201 | GLY | 0 | -0.009 | 0.004 | 73.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 202 | GLY | 0 | 0.026 | -0.001 | 74.452 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 203 | ILE | 0 | -0.025 | -0.013 | 78.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 204 | TRP | 0 | 0.010 | -0.008 | 79.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 205 | THR | 0 | -0.029 | 0.005 | 74.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 206 | TRP | 0 | 0.015 | 0.009 | 74.220 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 207 | LEU | 0 | 0.061 | 0.026 | 74.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 208 | THR | 0 | -0.015 | 0.001 | 75.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 209 | ARG | 1 | 0.768 | 0.841 | 68.476 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 210 | SER | 0 | 0.011 | -0.007 | 70.327 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 211 | ASP | -1 | -0.759 | -0.823 | 70.214 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 212 | ARG | 1 | 0.832 | 0.904 | 63.812 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 213 | PHE | 0 | 0.053 | 0.028 | 59.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 214 | ASP | -1 | -0.842 | -0.936 | 61.496 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 215 | ARG | 1 | 0.844 | 0.913 | 53.767 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 216 | GLN | 0 | 0.064 | 0.040 | 59.522 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 217 | LYS | 1 | 0.844 | 0.908 | 61.001 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 218 | PHE | 0 | 0.048 | 0.011 | 62.526 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 219 | ALA | 0 | 0.021 | 0.012 | 60.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 220 | GLN | 0 | -0.020 | -0.027 | 62.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 221 | ASP | -1 | -0.824 | -0.889 | 65.878 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 222 | MET | 0 | 0.036 | 0.026 | 64.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 223 | GLU | -1 | -0.804 | -0.884 | 66.453 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 224 | LYS | 1 | 0.828 | 0.921 | 67.678 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 225 | VAL | 0 | -0.034 | -0.016 | 69.856 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 226 | THR | 0 | -0.012 | -0.012 | 67.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 227 | ASP | -1 | -0.806 | -0.905 | 70.486 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 228 | PHE | 0 | -0.055 | -0.025 | 72.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 229 | TYR | 0 | 0.028 | -0.012 | 73.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 230 | GLN | 0 | 0.001 | 0.007 | 70.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 231 | ASN | 0 | -0.026 | -0.008 | 74.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 232 | ASN | 0 | -0.018 | -0.018 | 77.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 233 | GLY | 0 | -0.005 | -0.001 | 78.959 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 234 | TYR | 0 | -0.008 | 0.014 | 75.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 235 | PHE | 0 | 0.055 | 0.029 | 70.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 236 | ASP | -1 | -0.848 | -0.931 | 69.918 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 237 | PHE | 0 | -0.046 | -0.040 | 68.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 238 | ARG | 1 | 0.928 | 0.979 | 61.665 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 239 | ILE | 0 | 0.052 | 0.025 | 64.080 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 240 | LEU | 0 | -0.104 | -0.052 | 63.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 241 | ASP | -1 | -0.854 | -0.931 | 60.474 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 242 | THR | 0 | -0.127 | -0.077 | 61.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 243 | ASP | -1 | -0.776 | -0.851 | 60.763 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 244 | ILE | 0 | -0.064 | -0.040 | 60.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 245 | GLN | 0 | 0.007 | 0.002 | 60.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 246 | THR | 0 | -0.005 | -0.027 | 59.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 247 | ASN | 0 | -0.020 | -0.006 | 61.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 248 | GLU | -1 | -0.756 | -0.861 | 57.800 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 249 | ASP | -1 | -0.913 | -0.969 | 60.375 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 250 | LYS | 1 | 0.750 | 0.879 | 55.938 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 251 | THR | 0 | -0.009 | -0.012 | 60.833 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 252 | ARG | 1 | 0.886 | 0.950 | 64.193 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 253 | GLN | 0 | 0.013 | 0.004 | 61.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 254 | THR | 0 | 0.046 | 0.037 | 65.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 255 | ILE | 0 | -0.035 | -0.027 | 64.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 256 | LYS | 1 | 0.795 | 0.887 | 65.373 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 257 | ILE | 0 | -0.011 | -0.007 | 65.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 258 | THR | 0 | 0.022 | 0.018 | 64.814 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 259 | VAL | 0 | -0.034 | -0.022 | 66.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 260 | HIS | 0 | -0.003 | 0.016 | 68.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 261 | GLU | -1 | -0.824 | -0.903 | 70.485 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 262 | GLY | 0 | 0.043 | 0.008 | 73.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 263 | GLY | 0 | -0.048 | -0.049 | 74.241 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 264 | ARG | 1 | 0.818 | 0.923 | 77.110 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 265 | PHE | 0 | -0.048 | -0.014 | 74.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 266 | ARG | 1 | 0.941 | 0.968 | 79.544 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 267 | TRP | 0 | 0.047 | 0.038 | 77.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 268 | GLY | 0 | -0.005 | 0.005 | 80.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 269 | LYS | 1 | 0.756 | 0.849 | 80.877 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 270 | VAL | 0 | 0.019 | 0.004 | 78.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 271 | SER | 0 | 0.016 | 0.017 | 77.754 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 272 | ILE | 0 | -0.009 | 0.020 | 76.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 273 | GLU | -1 | -0.787 | -0.916 | 72.728 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 274 | GLY | 0 | 0.034 | 0.018 | 73.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 275 | ASP | -1 | -0.805 | -0.957 | 71.645 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 276 | THR | 0 | -0.140 | -0.036 | 73.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 277 | ASN | 0 | 0.029 | 0.000 | 74.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 278 | GLU | -1 | -0.832 | -0.896 | 75.424 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 279 | VAL | 0 | -0.040 | -0.004 | 77.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 280 | PRO | 0 | 0.007 | 0.017 | 79.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 281 | LYS | 1 | 0.925 | 0.943 | 77.262 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 282 | ALA | 0 | 0.005 | 0.007 | 81.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 283 | GLU | -1 | -0.873 | -0.951 | 78.851 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 284 | LEU | 0 | -0.031 | -0.021 | 78.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 285 | GLU | -1 | -0.856 | -0.914 | 82.739 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 286 | LYS | 1 | 0.763 | 0.874 | 85.693 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 287 | LEU | 0 | 0.049 | 0.021 | 79.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 288 | LEU | 0 | -0.005 | 0.017 | 79.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 289 | THR | 0 | -0.027 | -0.014 | 82.419 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 290 | MET | 0 | 0.063 | 0.053 | 80.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 291 | LYS | 1 | 0.976 | 0.983 | 84.817 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 292 | PRO | 0 | 0.087 | 0.046 | 84.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 293 | GLY | 0 | -0.094 | -0.034 | 85.935 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 294 | LYS | 1 | 0.873 | 0.923 | 84.951 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 295 | TRP | 0 | 0.044 | 0.013 | 82.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 296 | TYR | 0 | 0.048 | 0.036 | 72.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 297 | GLU | -1 | -0.871 | -0.909 | 78.469 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 298 | ARG | 1 | 0.890 | 0.930 | 68.869 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 299 | GLN | 0 | -0.005 | -0.017 | 75.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 300 | GLN | 0 | -0.030 | -0.023 | 77.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 301 | MET | 0 | -0.001 | 0.013 | 73.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 302 | THR | 0 | 0.034 | 0.004 | 72.845 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 303 | ALA | 0 | -0.021 | 0.004 | 74.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 304 | VAL | 0 | -0.027 | -0.012 | 77.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 305 | LEU | 0 | 0.008 | -0.006 | 71.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 306 | GLY | 0 | 0.005 | 0.015 | 74.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 307 | GLU | -1 | -0.889 | -0.949 | 75.379 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 308 | ILE | 0 | -0.028 | -0.023 | 74.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 309 | GLN | 0 | -0.008 | 0.001 | 69.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 310 | ASN | 0 | -0.056 | -0.030 | 74.299 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 311 | ARG | 1 | 0.797 | 0.906 | 77.108 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 312 | MET | 0 | 0.083 | 0.039 | 73.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 313 | GLY | 0 | 0.035 | 0.022 | 73.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 314 | SER | 0 | -0.043 | -0.020 | 74.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 315 | ALA | 0 | -0.025 | -0.015 | 76.896 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 316 | GLY | 0 | 0.038 | 0.014 | 72.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 317 | TYR | 0 | -0.029 | -0.054 | 70.379 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 318 | ALA | 0 | 0.001 | 0.000 | 68.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 319 | TYR | 0 | -0.032 | -0.018 | 64.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 320 | SER | 0 | 0.025 | -0.009 | 66.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 321 | GLU | -1 | -0.945 | -0.931 | 62.457 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 322 | ILE | 0 | 0.005 | -0.016 | 66.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 323 | SER | 0 | 0.019 | 0.006 | 65.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 324 | VAL | 0 | -0.055 | -0.035 | 67.394 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 325 | GLN | 0 | 0.018 | 0.006 | 65.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 326 | PRO | 0 | -0.050 | -0.021 | 68.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 327 | LEU | 0 | 0.032 | 0.008 | 70.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 328 | PRO | 0 | 0.043 | 0.020 | 70.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 329 | ASN | 0 | 0.010 | 0.017 | 74.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 330 | ALA | 0 | -0.034 | -0.036 | 74.662 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 331 | GLY | 0 | 0.040 | 0.002 | 76.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 332 | THR | 0 | -0.048 | -0.020 | 79.264 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 333 | LYS | 1 | 0.833 | 0.934 | 78.487 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 334 | THR | 0 | -0.030 | -0.040 | 79.142 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 335 | VAL | 0 | -0.021 | 0.006 | 73.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 336 | ASP | -1 | -0.786 | -0.876 | 76.730 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 337 | PHE | 0 | -0.046 | -0.040 | 73.973 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 338 | VAL | 0 | 0.018 | 0.029 | 73.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 339 | LEU | 0 | -0.031 | -0.011 | 72.377 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 340 | HIS | 0 | 0.034 | 0.010 | 68.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 341 | ILE | 0 | -0.026 | -0.004 | 69.549 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 342 | GLU | -1 | -0.868 | -0.916 | 65.229 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 343 | PRO | 0 | -0.007 | -0.006 | 67.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 344 | GLY | 0 | 0.026 | 0.008 | 66.399 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 345 | ARG | 1 | 0.772 | 0.879 | 63.042 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 346 | LYS | 1 | 0.833 | 0.918 | 67.765 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 347 | ILE | 0 | -0.021 | -0.001 | 66.433 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 348 | TYR | 0 | -0.041 | -0.014 | 69.231 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 349 | VAL | 0 | 0.001 | -0.026 | 69.288 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 350 | ASN | 0 | -0.007 | 0.009 | 66.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 351 | GLU | -1 | -0.869 | -0.917 | 67.399 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 352 | ILE | 0 | -0.053 | -0.016 | 69.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 353 | HIS | 1 | 0.758 | 0.844 | 66.739 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 354 | ILE | 0 | -0.016 | -0.008 | 70.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 355 | THR | 0 | 0.017 | -0.005 | 68.432 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 356 | GLY | 0 | 0.028 | 0.013 | 70.658 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 357 | ASN | 0 | 0.014 | 0.010 | 72.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 358 | ASN | 0 | -0.011 | -0.005 | 73.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 359 | LYS | 1 | 0.778 | 0.891 | 75.703 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 360 | THR | 0 | -0.020 | 0.002 | 77.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 361 | ARG | 1 | 0.889 | 0.939 | 79.128 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 362 | ASP | -1 | -0.768 | -0.902 | 73.512 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 363 | GLU | -1 | -0.883 | -0.931 | 77.029 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 364 | VAL | 0 | -0.065 | -0.043 | 79.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 365 | VAL | 0 | 0.022 | 0.008 | 77.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 366 | ARG | 1 | 0.901 | 0.948 | 75.113 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 367 | ARG | 1 | 0.830 | 0.910 | 78.876 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 368 | GLU | -1 | -0.709 | -0.811 | 82.388 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 369 | LEU | 0 | -0.023 | -0.010 | 77.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 370 | ARG | 1 | 0.818 | 0.897 | 81.248 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 371 | GLN | 0 | -0.009 | -0.023 | 75.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 372 | MET | 0 | -0.009 | -0.001 | 76.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 373 | GLU | -1 | -0.756 | -0.892 | 73.322 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 374 | SER | 0 | -0.079 | -0.042 | 72.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 375 | ALA | 0 | -0.002 | 0.029 | 73.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 376 | PRO | 0 | -0.029 | -0.032 | 74.010 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 377 | TYR | 0 | 0.052 | 0.035 | 71.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 378 | ASP | -1 | -0.788 | -0.889 | 73.847 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 379 | THR | 0 | 0.065 | 0.066 | 73.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 380 | SER | 0 | 0.019 | 0.005 | 76.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 381 | LYS | 1 | 0.684 | 0.832 | 78.448 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 382 | LEU | 0 | 0.044 | 0.033 | 73.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 383 | GLN | 0 | 0.032 | 0.014 | 77.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 384 | ARG | 1 | 0.824 | 0.885 | 78.816 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 385 | SER | 0 | 0.018 | 0.001 | 78.328 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 386 | LYS | 1 | 0.849 | 0.921 | 76.340 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 387 | GLU | -1 | -0.895 | -0.904 | 79.078 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 388 | ARG | 1 | 0.852 | 0.920 | 82.764 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 389 | VAL | 0 | 0.032 | 0.020 | 78.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 390 | GLU | -1 | -0.787 | -0.890 | 78.615 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 391 | LEU | 0 | -0.054 | -0.036 | 82.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 392 | LEU | 0 | -0.036 | -0.009 | 84.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 393 | GLY | 0 | -0.041 | -0.009 | 85.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 394 | TYR | 0 | -0.019 | -0.017 | 81.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 395 | PHE | 0 | 0.008 | -0.001 | 76.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 396 | ASP | -1 | -0.812 | -0.885 | 77.898 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 397 | ASN | 0 | -0.057 | -0.023 | 74.072 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 398 | VAL | 0 | 0.007 | 0.005 | 74.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 399 | GLN | 0 | -0.012 | -0.001 | 68.637 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 400 | PHE | 0 | -0.034 | -0.045 | 71.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 401 | ASP | -1 | -0.830 | -0.883 | 65.587 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 402 | ALA | 0 | -0.010 | -0.028 | 66.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 403 | VAL | 0 | 0.054 | 0.043 | 60.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 404 | PRO | 0 | 0.000 | 0.005 | 59.398 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 405 | LEU | 0 | -0.050 | -0.047 | 60.762 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 406 | ALA | 0 | 0.021 | 0.015 | 58.367 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 407 | GLY | 0 | 0.024 | 0.023 | 56.444 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 408 | THR | 0 | -0.040 | -0.027 | 57.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 409 | PRO | 0 | 0.027 | 0.014 | 59.711 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 410 | ASP | -1 | -0.777 | -0.900 | 62.591 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 411 | LYS | 1 | 0.847 | 0.936 | 63.397 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 412 | VAL | 0 | -0.005 | -0.002 | 64.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 413 | ASP | -1 | -0.832 | -0.895 | 64.674 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 414 | LEU | 0 | -0.005 | 0.000 | 66.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 415 | ASN | 0 | -0.007 | -0.007 | 65.546 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 416 | MET | 0 | 0.000 | 0.012 | 68.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 417 | SER | 0 | 0.014 | 0.013 | 68.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 418 | LEU | 0 | -0.022 | -0.020 | 70.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 419 | THR | 0 | 0.007 | 0.000 | 72.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 420 | GLU | -1 | -0.853 | -0.940 | 74.700 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 421 | ARG | 1 | 0.824 | 0.893 | 77.599 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 422 | SER | 0 | -0.015 | -0.012 | 76.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 423 | THR | 0 | -0.037 | -0.018 | 75.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 424 | GLY | 0 | -0.006 | -0.003 | 78.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 425 | SER | 0 | -0.056 | -0.037 | 81.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 426 | LEU | 0 | -0.002 | -0.002 | 84.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 427 | ASP | -1 | -0.786 | -0.862 | 87.087 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 428 | LEU | 0 | 0.005 | -0.016 | 89.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 429 | SER | 0 | -0.035 | -0.022 | 92.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 430 | ALA | 0 | 0.019 | 0.008 | 94.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 431 | GLY | 0 | 0.041 | 0.030 | 97.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 432 | TRP | 0 | -0.018 | -0.005 | 100.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 433 | VAL | 0 | 0.023 | 0.012 | 104.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 434 | GLN | 0 | 0.013 | -0.002 | 106.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 435 | ASP | -1 | -0.815 | -0.906 | 109.628 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 436 | THR | 0 | -0.024 | -0.008 | 108.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 437 | GLY | 0 | -0.008 | -0.013 | 109.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 438 | LEU | 0 | -0.037 | -0.018 | 102.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 439 | VAL | 0 | -0.023 | -0.020 | 101.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 440 | MET | 0 | -0.021 | 0.009 | 98.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 441 | SER | 0 | 0.019 | -0.011 | 96.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 442 | ALA | 0 | 0.000 | 0.006 | 93.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 443 | GLY | 0 | 0.030 | 0.003 | 91.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 444 | VAL | 0 | -0.004 | 0.016 | 86.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 445 | SER | 0 | 0.036 | 0.015 | 85.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 446 | GLN | 0 | 0.002 | -0.008 | 78.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 447 | ASP | -1 | -0.827 | -0.874 | 79.686 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 448 | ASN | 0 | 0.019 | 0.000 | 73.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 449 | LEU | 0 | 0.045 | 0.053 | 77.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 450 | PHE | 0 | -0.031 | -0.029 | 76.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 451 | GLY | 0 | 0.014 | 0.015 | 74.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 452 | THR | 0 | -0.067 | -0.052 | 74.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 453 | GLY | 0 | 0.042 | 0.031 | 76.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 454 | LYS | 1 | 0.786 | 0.877 | 77.774 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 455 | SER | 0 | -0.008 | -0.024 | 81.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 456 | ALA | 0 | -0.018 | -0.011 | 83.606 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 457 | ALA | 0 | 0.000 | 0.006 | 86.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 458 | LEU | 0 | -0.009 | 0.008 | 89.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 459 | ARG | 1 | 0.854 | 0.918 | 87.883 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 460 | ALA | 0 | -0.001 | -0.001 | 94.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 461 | SER | 0 | -0.012 | 0.002 | 97.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 462 | ARG | 1 | 0.897 | 0.938 | 100.259 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 463 | SER | 0 | 0.005 | -0.009 | 103.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 464 | LYS | 1 | 0.970 | 0.980 | 106.305 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 465 | THR | 0 | 0.053 | 0.039 | 109.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 466 | THR | 0 | -0.006 | 0.014 | 105.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 467 | LEU | 0 | 0.002 | 0.005 | 103.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 468 | ASN | 0 | 0.016 | 0.003 | 100.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 469 | GLY | 0 | -0.003 | -0.003 | 99.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 470 | SER | 0 | -0.034 | -0.018 | 96.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 471 | LEU | 0 | 0.027 | 0.017 | 91.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 472 | SER | 0 | -0.061 | -0.024 | 91.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 473 | PHE | 0 | 0.030 | 0.013 | 84.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 474 | THR | 0 | 0.004 | -0.014 | 86.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 475 | ASP | -1 | -0.777 | -0.882 | 82.065 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 476 | PRO | 0 | -0.043 | -0.028 | 80.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 477 | TYR | 0 | 0.008 | -0.005 | 78.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 478 | PHE | 0 | -0.005 | 0.018 | 80.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 479 | THR | 0 | -0.077 | -0.042 | 81.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 480 | ALA | 0 | 0.032 | 0.020 | 76.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 481 | ASP | -1 | -0.852 | -0.921 | 78.297 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 482 | GLY | 0 | 0.007 | 0.007 | 80.661 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 483 | VAL | 0 | -0.074 | -0.049 | 82.275 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 484 | SER | 0 | -0.025 | -0.008 | 84.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 485 | LEU | 0 | 0.005 | 0.007 | 86.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 486 | GLY | 0 | -0.004 | -0.008 | 87.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 487 | TYR | 0 | 0.013 | 0.011 | 89.539 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 488 | ASP | -1 | -0.858 | -0.931 | 92.537 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 489 | ILE | 0 | 0.032 | 0.018 | 95.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 490 | TYR | 0 | -0.092 | -0.076 | 97.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 491 | GLY | 0 | 0.011 | 0.011 | 100.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 492 | LYS | 1 | 0.951 | 0.975 | 103.170 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 493 | ALA | 0 | -0.004 | 0.013 | 105.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 494 | PHE | 0 | -0.022 | -0.026 | 108.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 495 | ASP | -1 | -0.791 | -0.880 | 110.776 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 496 | PRO | 0 | -0.016 | -0.013 | 113.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 497 | ARG | 1 | 0.938 | 0.984 | 115.333 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 498 | LYS | 1 | 0.798 | 0.880 | 113.697 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 499 | ALA | 0 | -0.020 | -0.006 | 113.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 500 | SER | 0 | -0.016 | -0.004 | 114.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 501 | THR | 0 | -0.009 | -0.023 | 115.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 502 | SER | 0 | -0.018 | -0.009 | 117.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 503 | VAL | 0 | 0.003 | 0.008 | 114.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 504 | LYN | 0 | 0.009 | 0.022 | 117.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 505 | GLN | 0 | -0.017 | -0.020 | 118.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 506 | TYR | -1 | -0.925 | -0.974 | 114.805 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 507 | LYS | 1 | 0.827 | 0.922 | 113.946 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 508 | THR | 0 | 0.025 | 0.007 | 111.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 509 | THR | 0 | -0.044 | -0.048 | 109.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 510 | THR | 0 | 0.019 | 0.034 | 105.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 511 | ALA | 0 | -0.021 | -0.021 | 105.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 512 | GLY | 0 | 0.030 | 0.006 | 103.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 513 | GLY | 0 | 0.024 | 0.020 | 99.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 514 | GLY | 0 | -0.014 | 0.009 | 98.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 515 | VAL | 0 | -0.007 | 0.010 | 93.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 516 | ARG | 1 | 0.843 | 0.905 | 90.332 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 517 | MET | 0 | 0.027 | 0.013 | 90.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 518 | GLY | 0 | -0.035 | -0.030 | 89.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 519 | ILE | 0 | 0.044 | 0.018 | 88.177 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 520 | PRO | 0 | -0.005 | -0.011 | 84.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 521 | VAL | 0 | -0.020 | 0.003 | 86.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 522 | THR | 0 | 0.018 | 0.013 | 86.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 523 | GLU | -1 | -0.832 | -0.916 | 83.175 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 524 | TYR | 0 | -0.067 | -0.053 | 84.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 525 | ASP | -1 | -0.808 | -0.877 | 88.774 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 526 | ARG | 1 | 0.905 | 0.949 | 88.491 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 527 | VAL | 0 | 0.021 | 0.017 | 91.323 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 528 | ASN | 0 | -0.035 | -0.019 | 92.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 529 | PHE | 0 | 0.015 | 0.005 | 94.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 530 | GLY | 0 | 0.021 | 0.010 | 95.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 531 | LEU | 0 | -0.019 | -0.007 | 98.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 532 | ALA | 0 | 0.055 | 0.027 | 99.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 533 | ALA | 0 | -0.033 | -0.015 | 101.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 534 | GLU | -1 | -0.821 | -0.899 | 104.097 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 535 | HIS | 0 | -0.013 | -0.004 | 106.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 536 | LEU | 0 | 0.017 | 0.008 | 109.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 537 | THR | 0 | -0.070 | -0.050 | 111.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 538 | VAL | 0 | 0.006 | 0.009 | 114.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 539 | ASN | 0 | -0.065 | -0.049 | 116.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 540 | THR | 0 | 0.055 | 0.000 | 119.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 541 | TYR | -1 | -0.815 | -0.908 | 118.316 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 542 | ASN | 0 | 0.006 | 0.008 | 124.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 543 | LYS | 1 | 0.767 | 0.862 | 126.954 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 544 | ALA | 0 | 0.024 | 0.015 | 125.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 545 | PRO | 0 | 0.041 | 0.024 | 125.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 546 | LYS | 1 | 0.889 | 0.944 | 127.331 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 547 | ARG | 1 | 0.778 | 0.885 | 121.380 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 548 | TYR | 0 | 0.037 | -0.018 | 121.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 549 | ALA | 0 | 0.057 | 0.022 | 124.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 550 | ASP | -1 | -0.781 | -0.871 | 126.680 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 551 | PHE | 0 | -0.001 | -0.002 | 118.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 552 | ILE | 0 | 0.021 | 0.011 | 121.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 553 | ARG | 1 | 0.847 | 0.904 | 124.729 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 554 | LYS | 1 | 0.865 | 0.939 | 124.778 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 555 | TYR | 0 | 0.022 | 0.017 | 120.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 556 | GLY | 0 | -0.061 | -0.034 | 121.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 557 | LYS | 1 | 0.823 | 0.901 | 122.791 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 558 | THR | 0 | 0.009 | -0.009 | 124.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 559 | ASP | -1 | -0.872 | -0.922 | 124.670 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 560 | GLY | 0 | 0.039 | 0.030 | 127.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 561 | ALA | 0 | -0.025 | -0.012 | 130.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 562 | ASP | -1 | -0.859 | -0.921 | 124.806 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 563 | GLY | 0 | 0.025 | 0.002 | 124.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 564 | SER | 0 | -0.027 | -0.012 | 119.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 565 | PHE | 0 | 0.023 | 0.015 | 114.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 566 | LYS | 1 | 0.909 | 0.954 | 116.110 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 567 | GLY | 0 | 0.002 | 0.005 | 114.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 568 | LEU | 0 | 0.030 | 0.028 | 109.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 569 | LEU | 0 | -0.025 | -0.015 | 109.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 570 | TYR | 0 | 0.046 | 0.022 | 106.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 571 | LYS | 1 | 0.808 | 0.902 | 105.224 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 572 | GLY | 0 | 0.022 | 0.021 | 102.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 573 | THR | 0 | -0.013 | -0.016 | 100.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 574 | VAL | 0 | 0.002 | -0.004 | 99.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 575 | GLY | 0 | 0.033 | 0.020 | 98.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 576 | TRP | 0 | -0.051 | -0.032 | 94.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 577 | GLY | 0 | 0.029 | 0.017 | 95.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 578 | ARG | 1 | 0.820 | 0.892 | 92.644 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 579 | ASN | 0 | 0.013 | 0.009 | 90.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 580 | LYS | 1 | 0.899 | 0.968 | 89.267 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 581 | THR | 0 | -0.011 | -0.011 | 90.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 582 | ASP | -1 | -0.754 | -0.851 | 88.017 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 583 | SER | 0 | -0.041 | -0.051 | 87.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 584 | ALA | 0 | -0.005 | 0.008 | 88.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 585 | SER | 0 | 0.001 | -0.023 | 87.805 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 586 | TRP | 0 | -0.069 | -0.040 | 90.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 587 | PRO | 0 | 0.002 | 0.021 | 92.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 588 | THR | 0 | -0.001 | -0.041 | 91.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 589 | ARG | 1 | 0.810 | 0.926 | 92.693 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 590 | GLY | 0 | 0.086 | 0.029 | 93.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 591 | TYR | 0 | -0.060 | -0.035 | 93.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 592 | LEU | 0 | 0.027 | 0.035 | 94.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 593 | THR | 0 | -0.031 | -0.037 | 96.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 594 | GLY | 0 | 0.030 | 0.024 | 97.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 595 | VAL | 0 | -0.033 | -0.003 | 99.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 596 | ASN | 0 | -0.011 | -0.003 | 100.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 597 | ALA | 0 | -0.002 | -0.007 | 102.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 598 | GLU | -1 | -0.852 | -0.910 | 103.711 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 599 | ILE | 0 | -0.008 | -0.015 | 106.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 600 | ALA | 0 | 0.019 | 0.038 | 107.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 601 | LEU | 0 | 0.028 | 0.026 | 104.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 602 | PRO | 0 | -0.006 | -0.012 | 109.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 603 | GLY | 0 | 0.027 | 0.022 | 110.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 604 | SER | 0 | -0.038 | -0.011 | 110.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 605 | LYS | 1 | 0.848 | 0.925 | 112.634 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 606 | LEU | 0 | 0.017 | 0.006 | 114.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 607 | GLN | 0 | 0.001 | 0.025 | 113.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 608 | TYR | 0 | -0.020 | -0.068 | 110.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 609 | TYR | 0 | 0.006 | 0.003 | 110.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 610 | SER | 0 | 0.027 | 0.003 | 108.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 611 | ALA | 0 | 0.035 | 0.023 | 107.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 612 | THR | 0 | 0.000 | -0.013 | 105.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 613 | HIS | 0 | -0.017 | 0.009 | 102.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 614 | ASN | 0 | 0.040 | 0.011 | 101.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 615 | GLN | 0 | 0.011 | 0.007 | 101.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 616 | THR | 0 | -0.037 | -0.029 | 99.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 617 | TRP | 0 | 0.019 | 0.007 | 98.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 618 | PHE | 0 | 0.040 | 0.015 | 96.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 619 | PHE | 0 | -0.005 | -0.014 | 98.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 620 | PRO | 0 | 0.002 | 0.002 | 94.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 621 | LEU | 0 | 0.018 | 0.006 | 97.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 622 | SER | 0 | 0.000 | -0.001 | 97.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 623 | LYS | 1 | 0.918 | 0.958 | 88.220 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 624 | THR | 0 | -0.054 | -0.023 | 94.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 625 | PHE | 0 | 0.008 | 0.001 | 96.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 626 | THR | 0 | -0.032 | -0.027 | 97.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 627 | LEU | 0 | 0.024 | 0.031 | 99.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 628 | MET | 0 | -0.005 | 0.000 | 100.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 629 | LEU | 0 | 0.001 | -0.009 | 102.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 630 | GLY | 0 | 0.018 | 0.003 | 103.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 631 | GLY | 0 | 0.018 | 0.013 | 104.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 632 | GLU | -1 | -0.904 | -0.938 | 105.723 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 633 | VAL | 0 | 0.006 | 0.001 | 107.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 634 | GLY | 0 | 0.015 | 0.013 | 108.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 635 | ILE | 0 | -0.045 | -0.032 | 111.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 636 | ALA | 0 | 0.040 | 0.028 | 111.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 637 | GLY | 0 | -0.001 | 0.006 | 114.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 638 | GLY | 0 | 0.057 | 0.037 | 115.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 639 | TYR | 0 | -0.069 | -0.062 | 111.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 640 | GLY | 0 | 0.037 | 0.012 | 117.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 641 | ARG | 1 | 0.870 | 0.934 | 115.717 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 642 | THR | 0 | -0.028 | -0.005 | 118.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 643 | LYS | 1 | 0.852 | 0.913 | 119.398 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 644 | GLU | -1 | -0.841 | -0.915 | 121.132 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 645 | ILE | 0 | -0.026 | 0.003 | 113.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 646 | PRO | 0 | -0.034 | -0.013 | 115.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 647 | PHE | 0 | 0.033 | 0.008 | 117.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 648 | PHE | 0 | 0.020 | 0.033 | 113.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 649 | GLU | -1 | -0.847 | -0.874 | 110.043 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 650 | ASN | 0 | -0.037 | -0.032 | 113.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 651 | PHE | 0 | -0.046 | -0.002 | 109.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 652 | TYR | 0 | 0.023 | -0.006 | 112.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 653 | GLY | 0 | 0.014 | -0.009 | 112.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 654 | GLY | 0 | 0.022 | 0.030 | 113.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 655 | GLY | 0 | 0.029 | 0.011 | 111.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 656 | LEU | 0 | -0.005 | -0.021 | 105.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 657 | GLY | 0 | -0.042 | -0.009 | 106.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 658 | SER | 0 | -0.072 | -0.035 | 107.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 659 | VAL | 0 | 0.006 | 0.025 | 110.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 660 | ARG | 1 | 0.840 | 0.903 | 105.358 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 661 | GLY | 0 | -0.008 | -0.013 | 112.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 662 | TYR | 0 | -0.014 | -0.021 | 115.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 663 | GLU | -1 | -0.834 | -0.887 | 115.023 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 664 | SER | 0 | -0.015 | -0.011 | 111.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 665 | GLY | 0 | 0.023 | 0.016 | 114.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 666 | THR | 0 | 0.007 | 0.000 | 115.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 667 | LEU | 0 | -0.076 | -0.014 | 115.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 668 | GLY | 0 | 0.061 | 0.029 | 118.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 669 | PRO | 0 | -0.040 | -0.022 | 120.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 670 | LYS | 1 | 0.830 | 0.938 | 122.860 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 671 | VAL | 0 | -0.013 | -0.006 | 125.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 672 | TYR | 0 | 0.004 | -0.001 | 127.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 673 | ASP | -1 | -0.810 | -0.888 | 128.139 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 674 | GLU | -1 | -0.845 | -0.929 | 130.109 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 675 | TYR | 0 | -0.065 | -0.038 | 126.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 676 | GLY | 0 | -0.006 | 0.006 | 130.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 677 | GLU | -1 | -0.895 | -0.922 | 124.543 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 678 | LYS | 1 | 0.798 | 0.871 | 125.180 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 679 | ILE | 0 | -0.007 | 0.022 | 122.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 680 | SER | 0 | 0.013 | -0.015 | 119.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 681 | TYR | 0 | -0.034 | -0.036 | 120.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 682 | GLY | 0 | 0.071 | 0.053 | 117.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 683 | GLY | 0 | -0.045 | -0.041 | 117.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 684 | ASN | 0 | -0.010 | -0.014 | 116.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 685 | LYS | 1 | 0.899 | 0.963 | 115.537 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 686 | LYS | 1 | 0.868 | 0.929 | 110.908 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 687 | ALA | 0 | 0.008 | 0.014 | 112.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 688 | ASN | 0 | 0.014 | -0.008 | 109.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 689 | VAL | 0 | -0.006 | 0.005 | 109.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 690 | SER | 0 | -0.011 | -0.026 | 107.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 691 | ALA | 0 | 0.013 | 0.008 | 106.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 692 | GLU | -1 | -0.788 | -0.878 | 103.933 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 693 | LEU | 0 | 0.001 | 0.014 | 103.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 694 | LEU | 0 | 0.019 | -0.001 | 99.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 695 | PHE | 0 | -0.008 | -0.006 | 98.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 696 | PRO | 0 | -0.017 | -0.001 | 94.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 697 | MET | 0 | 0.079 | 0.035 | 96.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 698 | PRO | 0 | 0.058 | 0.015 | 97.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 699 | GLY | 0 | -0.027 | -0.032 | 96.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 700 | ALA | 0 | 0.025 | 0.034 | 92.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 701 | LYS | 1 | 0.875 | 0.948 | 93.011 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 702 | ASP | -1 | -0.844 | -0.901 | 88.679 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 703 | ALA | 0 | 0.037 | 0.007 | 89.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 704 | ARG | 1 | 0.914 | 0.958 | 90.438 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 705 | THR | 0 | 0.056 | 0.048 | 89.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 706 | VAL | 0 | -0.010 | -0.020 | 92.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 707 | ARG | 1 | 0.823 | 0.915 | 95.654 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 708 | LEU | 0 | -0.013 | 0.002 | 98.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 709 | SER | 0 | 0.004 | -0.015 | 101.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 710 | LEU | 0 | -0.017 | -0.004 | 104.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 711 | PHE | 0 | -0.003 | -0.006 | 107.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 712 | ALA | 0 | 0.004 | -0.006 | 109.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 713 | ASP | -1 | -0.778 | -0.851 | 109.914 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 714 | ALA | 0 | 0.000 | -0.012 | 112.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 715 | GLY | 0 | 0.029 | 0.014 | 113.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 716 | SER | 0 | -0.010 | -0.024 | 115.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 717 | VAL | 0 | -0.011 | -0.013 | 115.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 718 | TRP | 0 | -0.011 | -0.009 | 116.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 719 | ASP | -1 | -0.748 | -0.868 | 119.562 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 720 | GLY | 0 | 0.014 | 0.029 | 122.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 721 | ARG | 1 | 0.792 | 0.892 | 125.006 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 722 | THR | 0 | -0.045 | -0.038 | 127.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 723 | TYR | 0 | -0.027 | -0.025 | 125.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 724 | THR | 0 | -0.008 | -0.013 | 131.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 725 | ALA | 0 | 0.071 | 0.034 | 135.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 726 | ALA | 0 | -0.086 | -0.033 | 131.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 727 | GLU | -1 | -0.766 | -0.894 | 131.516 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 728 | ASN | 0 | -0.016 | -0.006 | 134.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 729 | GLY | 0 | 0.018 | -0.003 | 135.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 730 | ASN | 0 | -0.017 | -0.009 | 133.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 731 | ASN | 0 | 0.002 | 0.007 | 128.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 732 | LYS | 1 | 0.756 | 0.892 | 128.286 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 733 | SER | 0 | 0.000 | -0.008 | 132.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 734 | VAL | 0 | 0.013 | -0.003 | 134.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 735 | TYR | 0 | -0.017 | 0.005 | 135.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 736 | SER | 0 | 0.036 | 0.007 | 133.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 737 | GLU | -1 | -0.779 | -0.859 | 127.199 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 738 | ASN | 0 | -0.039 | -0.027 | 128.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 739 | ALA | 0 | -0.015 | -0.013 | 123.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 740 | HIS | 0 | -0.050 | -0.026 | 123.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 741 | LYN | 0 | -0.006 | -0.015 | 120.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 742 | SER | 0 | -0.135 | -0.064 | 118.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 743 | THR | -1 | -0.777 | -0.872 | 119.427 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 744 | PHE | 0 | -0.049 | -0.012 | 122.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 745 | THR | -1 | -0.860 | -0.933 | 122.569 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 746 | ASN | 0 | -0.042 | -0.049 | 124.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 747 | GLU | -1 | -0.724 | -0.825 | 122.256 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 748 | LEU | 0 | -0.022 | 0.010 | 117.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 749 | ARG | 1 | 0.701 | 0.802 | 118.444 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 750 | TYR | 0 | 0.087 | 0.037 | 117.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 751 | SER | 0 | -0.034 | -0.026 | 114.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 752 | ALA | 0 | 0.033 | 0.027 | 113.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 753 | GLY | 0 | -0.001 | -0.004 | 112.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 754 | GLY | 0 | 0.019 | 0.029 | 108.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 755 | ALA | 0 | -0.024 | -0.022 | 105.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 756 | VAL | 0 | 0.000 | 0.008 | 100.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 757 | THR | 0 | -0.007 | 0.001 | 97.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 758 | TRP | 0 | 0.010 | 0.001 | 94.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 759 | LEU | 0 | 0.004 | 0.000 | 91.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 760 | SER | 0 | 0.000 | 0.012 | 92.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 761 | PRO | 0 | -0.007 | -0.009 | 90.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 762 | LEU | 0 | 0.007 | -0.003 | 91.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 763 | GLY | 0 | 0.039 | 0.030 | 93.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 764 | PRO | 0 | -0.010 | -0.007 | 94.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 765 | MET | 0 | -0.042 | -0.017 | 96.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 766 | LYS | 1 | 0.900 | 0.963 | 99.635 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 767 | PHE | 0 | 0.049 | 0.009 | 101.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 768 | SER | 0 | -0.019 | -0.014 | 105.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 769 | TYR | 0 | 0.008 | 0.004 | 108.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 770 | ALA | 0 | 0.040 | 0.034 | 111.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 771 | TYR | 0 | -0.006 | -0.008 | 114.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 772 | PRO | 0 | 0.018 | 0.016 | 117.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 773 | LEU | 0 | -0.042 | -0.027 | 118.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 774 | LYN | 0 | 0.007 | -0.005 | 121.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 775 | LYS | 1 | 0.841 | 0.933 | 123.500 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 776 | LYS | 1 | 0.897 | 0.937 | 124.730 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 777 | PRO | 0 | -0.015 | -0.016 | 126.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 778 | GLU | -1 | -0.770 | -0.896 | 127.054 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 779 | ASP | -1 | -0.789 | -0.840 | 122.662 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 780 | GLU | -1 | -0.770 | -0.886 | 120.760 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 781 | ILE | 0 | -0.086 | -0.051 | 119.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 782 | GLN | 0 | -0.036 | -0.006 | 113.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 783 | ARG | 1 | 0.855 | 0.916 | 115.200 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 784 | PHE | 0 | 0.009 | 0.009 | 108.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 785 | GLN | 0 | 0.015 | -0.004 | 110.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 786 | PHE | 0 | -0.004 | -0.012 | 105.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 787 | GLN | 0 | 0.056 | 0.031 | 100.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 788 | LEU | 0 | -0.030 | -0.008 | 100.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 789 | GLY | 0 | 0.036 | 0.023 | 97.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 790 | THR | 0 | -0.057 | -0.051 | 94.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 791 | THR | 0 | -0.036 | -0.025 | 97.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 792 | PHE | 0 | 0.032 | 0.033 | 98.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |