![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 4J77N
Calculation Name: 4YUB-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4YUB
Chain ID: A
UniProt ID: Q6XQN6
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 | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 500 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8458447.522256 |
---|---|
FMO2-HF: Nuclear repulsion | 8271031.454287 |
FMO2-HF: Total energy | -187416.06797 |
FMO2-MP2: Total energy | -187965.443519 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F038927/ligand_interaction/ligand_F038927.png)
Ligand Interaction
![ligand interaction](./Kdata/F038927/ligand_interaction/ligand_interaction_F038927.png)
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:16:LEU)
Summations of interaction energy for
fragment #1(A:16:LEU)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-5.575 | 1.495 | 1.38 | -2.9 | -5.551 | 0.005 |
Interaction energy analysis for fragmet #1(A:16:LEU)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 18 | THR | 0 | -0.028 | -0.029 | 3.036 | -1.202 | 1.535 | 0.079 | -1.223 | -1.593 | 0.002 |
4 | A | 19 | ASP | -1 | -0.832 | -0.894 | 5.103 | -0.925 | -0.820 | -0.001 | -0.004 | -0.100 | 0.000 |
5 | A | 20 | LEU | 0 | 0.039 | 0.019 | 8.821 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 21 | TYR | 0 | 0.047 | -0.004 | 11.515 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 22 | GLN | 0 | 0.068 | 0.028 | 5.564 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 23 | ALA | 0 | 0.031 | 0.017 | 9.394 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 24 | THR | 0 | -0.012 | 0.004 | 10.710 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 25 | MET | 0 | -0.048 | -0.023 | 12.334 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 26 | ALA | 0 | 0.002 | -0.003 | 10.772 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 27 | LEU | 0 | -0.004 | 0.013 | 12.886 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 28 | GLY | 0 | 0.022 | 0.002 | 15.431 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 29 | TYR | 0 | -0.020 | -0.020 | 13.818 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 30 | TRP | 0 | -0.011 | -0.010 | 15.779 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 31 | ARG | 1 | 0.953 | 0.987 | 17.704 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 32 | ALA | 0 | -0.054 | -0.033 | 20.487 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 33 | GLY | 0 | -0.010 | 0.007 | 21.511 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 34 | ARG | 1 | 0.960 | 0.980 | 19.274 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 35 | ALA | 0 | -0.021 | -0.012 | 15.525 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 36 | ARG | 1 | 0.934 | 0.949 | 15.505 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 37 | ASP | -1 | -0.822 | -0.892 | 17.874 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 38 | ALA | 0 | 0.003 | 0.014 | 17.805 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 39 | ALA | 0 | -0.016 | -0.019 | 15.919 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 40 | GLU | -1 | -0.850 | -0.930 | 17.153 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 41 | PHE | 0 | -0.012 | -0.025 | 14.261 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 42 | GLU | -1 | -0.857 | -0.945 | 16.330 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 43 | LEU | 0 | 0.004 | 0.013 | 12.389 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 44 | PHE | 0 | 0.026 | 0.019 | 16.127 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 45 | PHE | 0 | 0.021 | -0.001 | 18.753 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 46 | ARG | 1 | 0.965 | 0.978 | 20.856 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 47 | ARG | 1 | 0.945 | 0.974 | 23.053 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 48 | CYS | 0 | 0.053 | 0.026 | 24.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 49 | PRO | 0 | 0.010 | 0.031 | 23.028 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 50 | PHE | 0 | -0.003 | -0.028 | 22.559 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 51 | GLY | 0 | -0.017 | 0.005 | 27.372 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 52 | GLY | 0 | 0.009 | 0.018 | 28.808 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 53 | ALA | 0 | 0.008 | -0.024 | 29.356 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 54 | PHE | 0 | -0.052 | -0.015 | 26.781 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 55 | ALA | 0 | -0.006 | -0.006 | 21.998 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 56 | LEU | 0 | -0.012 | -0.018 | 22.411 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 57 | ALA | 0 | -0.001 | 0.014 | 20.067 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 58 | ALA | 0 | 0.010 | 0.001 | 17.803 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 59 | GLY | 0 | 0.047 | 0.027 | 13.973 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 60 | LEU | 0 | 0.001 | 0.008 | 13.041 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 61 | ARG | 1 | 0.783 | 0.843 | 13.917 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 62 | ASP | -1 | -0.834 | -0.926 | 9.753 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 63 | CYS | 0 | -0.009 | -0.011 | 8.701 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 64 | VAL | 0 | 0.029 | 0.019 | 9.247 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 65 | ARG | 1 | 0.918 | 0.975 | 9.050 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 66 | PHE | 0 | -0.004 | -0.001 | 2.646 | -2.740 | -1.184 | 1.085 | -0.852 | -1.789 | 0.003 |
52 | A | 67 | LEU | 0 | -0.015 | -0.007 | 6.896 | 0.734 | 0.734 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 68 | ARG | 1 | 0.947 | 0.982 | 8.553 | -1.266 | -1.266 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 69 | ALA | 0 | -0.063 | -0.023 | 5.241 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 70 | PHE | 0 | 0.041 | 0.009 | 3.573 | -0.275 | 0.839 | 0.036 | -0.375 | -0.775 | 0.000 |
56 | A | 71 | ARG | 1 | 0.869 | 0.954 | 3.698 | -2.232 | -1.520 | 0.011 | -0.189 | -0.535 | -0.001 |
57 | A | 72 | LEU | 0 | 0.043 | -0.019 | 5.831 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 73 | ARG | 1 | 0.859 | 0.978 | 4.342 | -1.004 | -0.847 | -0.001 | -0.012 | -0.144 | 0.000 |
59 | A | 74 | ASP | -1 | -0.800 | -0.921 | 8.444 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 75 | ALA | 0 | -0.026 | -0.023 | 10.913 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 76 | ASP | -1 | -0.867 | -0.938 | 6.387 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 77 | VAL | 0 | -0.041 | -0.034 | 8.373 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 78 | GLN | 0 | -0.013 | -0.007 | 10.179 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 79 | PHE | 0 | 0.009 | 0.043 | 10.223 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 80 | LEU | 0 | 0.010 | 0.010 | 8.209 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 81 | ALA | 0 | 0.052 | 0.007 | 12.287 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 82 | SER | 0 | -0.087 | -0.068 | 15.422 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 83 | VAL | 0 | -0.036 | -0.011 | 14.022 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 84 | LEU | 0 | -0.008 | -0.007 | 15.435 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 85 | PRO | 0 | -0.051 | -0.016 | 18.141 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 86 | PRO | 0 | 0.011 | 0.021 | 19.880 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 87 | ASP | -1 | -0.962 | -0.992 | 21.789 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 88 | THR | 0 | -0.007 | -0.015 | 17.438 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 89 | ASP | -1 | -0.871 | -0.975 | 19.070 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 90 | PRO | 0 | -0.014 | 0.037 | 19.812 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 91 | ALA | 0 | 0.052 | 0.045 | 18.956 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 92 | PHE | 0 | -0.041 | -0.049 | 16.312 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 93 | PHE | 0 | -0.006 | -0.006 | 12.785 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 94 | GLU | -1 | -0.947 | -0.980 | 12.776 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 95 | HIS | 0 | 0.054 | 0.009 | 12.638 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 96 | LEU | 0 | -0.024 | -0.008 | 8.773 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 97 | ARG | 1 | 0.884 | 0.950 | 8.847 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 98 | ALA | 0 | -0.022 | -0.004 | 10.877 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 99 | LEU | 0 | -0.039 | 0.014 | 7.110 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 100 | ASP | -1 | -0.816 | -0.928 | 9.943 | 0.955 | 0.955 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 101 | CYS | 0 | -0.169 | -0.075 | 7.414 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 102 | SER | 0 | 0.106 | 0.035 | 10.232 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 103 | GLU | -1 | -0.986 | -0.983 | 14.050 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 104 | VAL | 0 | -0.048 | -0.025 | 10.775 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 105 | THR | 0 | -0.022 | -0.016 | 14.038 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 106 | VAL | 0 | -0.013 | -0.004 | 12.898 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 107 | ARG | 1 | 0.923 | 0.964 | 16.084 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 108 | ALA | 0 | 0.054 | -0.003 | 17.305 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 109 | LEU | 0 | 0.016 | 0.027 | 19.130 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 110 | PRO | 0 | 0.005 | 0.017 | 20.147 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 111 | GLU | -1 | -0.794 | -0.903 | 18.106 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 112 | GLY | 0 | -0.009 | -0.015 | 21.501 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 113 | SER | 0 | -0.005 | -0.014 | 23.394 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 114 | LEU | 0 | -0.013 | -0.009 | 24.402 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 115 | ALA | 0 | 0.018 | 0.002 | 23.098 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 116 | PHE | 0 | 0.031 | 0.011 | 24.959 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 117 | PRO | 0 | -0.018 | 0.004 | 24.528 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 118 | GLY | 0 | -0.017 | -0.017 | 24.445 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 119 | VAL | 0 | -0.033 | -0.007 | 24.468 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 120 | PRO | 0 | -0.008 | -0.006 | 20.228 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 121 | LEU | 0 | -0.007 | -0.004 | 17.602 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 122 | LEU | 0 | -0.008 | -0.022 | 13.045 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 123 | GLN | 0 | -0.013 | 0.002 | 17.028 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 124 | VAL | 0 | 0.031 | 0.019 | 11.354 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 125 | SER | 0 | 0.005 | 0.000 | 14.727 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 126 | GLY | 0 | 0.073 | 0.020 | 14.618 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 127 | PRO | 0 | 0.035 | 0.030 | 13.456 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 128 | LEU | 0 | -0.012 | 0.001 | 13.299 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 129 | LEU | 0 | -0.037 | -0.006 | 10.751 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 130 | VAL | 0 | 0.002 | -0.006 | 9.009 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 131 | VAL | 0 | 0.031 | 0.002 | 8.548 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 132 | GLN | 0 | -0.002 | 0.031 | 10.143 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 133 | LEU | 0 | 0.006 | 0.000 | 5.477 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 134 | LEU | 0 | -0.027 | -0.015 | 5.273 | -0.959 | -0.959 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 135 | GLU | -1 | -0.918 | -0.958 | 6.326 | -0.742 | -0.742 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 136 | THR | 0 | -0.001 | 0.001 | 4.860 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 137 | PRO | 0 | -0.012 | -0.004 | 2.828 | -0.181 | 0.508 | 0.171 | -0.245 | -0.615 | 0.001 |
123 | A | 138 | LEU | 0 | 0.018 | 0.009 | 5.465 | 0.499 | 0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 139 | LEU | 0 | 0.020 | 0.011 | 8.887 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 140 | CYS | 0 | -0.039 | -0.011 | 6.622 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 141 | LEU | 0 | -0.011 | -0.012 | 7.227 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 142 | VAL | 0 | 0.054 | 0.026 | 9.992 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 143 | SER | 0 | -0.043 | -0.009 | 12.650 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 144 | TYR | 0 | -0.016 | -0.012 | 11.745 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 145 | ALA | 0 | 0.036 | 0.017 | 13.702 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 146 | SER | 0 | 0.041 | 0.020 | 15.398 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 147 | LEU | 0 | -0.064 | 0.008 | 17.437 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 148 | VAL | 0 | -0.011 | -0.006 | 16.827 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 149 | ALA | 0 | 0.008 | 0.013 | 19.491 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 150 | THR | 0 | -0.032 | -0.055 | 21.538 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 151 | ASN | 0 | -0.020 | -0.006 | 22.760 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 152 | ALA | 0 | 0.041 | 0.023 | 23.742 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 153 | ALA | 0 | 0.001 | 0.021 | 25.550 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 154 | ARG | 1 | 0.828 | 0.901 | 27.387 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 155 | LEU | 0 | 0.028 | 0.019 | 26.635 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 156 | ARG | 1 | 0.845 | 0.921 | 29.674 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 157 | LEU | 0 | -0.060 | -0.045 | 31.443 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 158 | ILE | 0 | -0.050 | -0.011 | 32.944 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 159 | ALA | 0 | 0.008 | 0.003 | 33.704 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 160 | GLY | 0 | 0.008 | 0.020 | 35.331 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 161 | PRO | 0 | -0.042 | 0.004 | 35.568 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 162 | GLU | -1 | -0.893 | -1.001 | 36.419 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 163 | LYS | 1 | 0.909 | 0.963 | 35.836 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 164 | ARG | 1 | 0.937 | 0.973 | 33.939 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 165 | LEU | 0 | 0.062 | 0.050 | 34.239 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 166 | LEU | 0 | -0.012 | 0.004 | 29.929 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 167 | GLU | -1 | -0.829 | -0.912 | 28.094 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 168 | MET | 0 | -0.010 | 0.034 | 19.874 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 169 | GLY | 0 | 0.091 | 0.007 | 25.080 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 170 | LEU | 0 | -0.078 | -0.053 | 19.248 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 171 | ARG | 1 | 1.011 | 1.004 | 22.854 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 172 | ARG | 1 | 0.935 | 0.957 | 18.267 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 173 | ALA | 0 | 0.003 | 0.024 | 16.542 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 174 | GLN | 0 | -0.027 | -0.014 | 9.935 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 175 | GLY | 0 | 0.015 | 0.001 | 12.970 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 176 | PRO | 0 | 0.052 | 0.052 | 8.537 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 177 | ASP | -1 | -0.875 | -0.948 | 7.893 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 178 | GLY | 0 | 0.005 | -0.017 | 10.621 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 179 | GLY | 0 | 0.019 | -0.009 | 12.913 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 180 | LEU | 0 | 0.021 | 0.032 | 12.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 181 | THR | 0 | -0.021 | -0.003 | 11.270 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 182 | ALA | 0 | 0.070 | 0.034 | 14.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 183 | SER | 0 | 0.019 | 0.041 | 17.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 184 | THR | 0 | -0.009 | -0.014 | 16.997 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 185 | TYR | 0 | -0.036 | -0.054 | 14.005 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 186 | SER | 0 | 0.009 | -0.039 | 19.412 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 187 | TYR | 0 | -0.031 | 0.003 | 22.201 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 188 | LEU | 0 | -0.010 | -0.012 | 20.430 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 189 | GLY | 0 | 0.029 | 0.002 | 23.345 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 190 | GLY | 0 | -0.022 | 0.001 | 25.060 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 191 | PHE | 0 | 0.009 | -0.010 | 25.643 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 192 | ASP | -1 | -0.847 | -0.916 | 27.673 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 193 | SER | 0 | -0.045 | -0.037 | 26.899 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 194 | SER | 0 | -0.088 | -0.015 | 22.836 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 195 | SER | 0 | 0.093 | 0.041 | 24.343 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 196 | ASN | 0 | -0.038 | -0.028 | 17.921 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 197 | VAL | 0 | 0.116 | 0.048 | 20.954 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 198 | LEU | 0 | -0.022 | -0.014 | 15.779 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 199 | ALA | 0 | 0.011 | -0.002 | 18.248 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 200 | GLY | 0 | 0.033 | 0.027 | 19.390 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 201 | GLN | 0 | -0.069 | -0.032 | 19.848 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 202 | LEU | 0 | -0.033 | -0.013 | 14.883 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 203 | ARG | 1 | 0.863 | 0.924 | 13.375 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 204 | GLY | 0 | 0.025 | 0.036 | 20.428 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 205 | VAL | 0 | -0.063 | -0.031 | 21.325 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 206 | PRO | 0 | 0.013 | 0.014 | 24.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 207 | VAL | 0 | 0.015 | -0.008 | 24.770 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 208 | ALA | 0 | -0.038 | -0.023 | 27.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 209 | GLY | 0 | 0.044 | 0.020 | 28.461 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 210 | THR | 0 | -0.034 | -0.022 | 29.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 211 | LEU | 0 | 0.018 | 0.021 | 31.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 212 | ALA | 0 | -0.006 | -0.023 | 31.522 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 213 | HIS | 0 | 0.086 | 0.047 | 33.264 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 214 | SER | 0 | 0.009 | -0.002 | 31.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 215 | PHE | 0 | -0.058 | -0.007 | 34.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 216 | VAL | 0 | 0.072 | 0.029 | 36.142 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 217 | THR | 0 | -0.022 | -0.022 | 37.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 218 | SER | 0 | -0.121 | -0.043 | 37.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 219 | PHE | 0 | -0.001 | 0.013 | 39.219 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 220 | SER | 0 | 0.023 | -0.011 | 42.920 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 221 | GLY | 0 | 0.000 | -0.004 | 46.156 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 222 | SER | 0 | -0.058 | -0.010 | 47.920 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 223 | GLU | -1 | -0.915 | -0.962 | 47.103 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 224 | VAL | 0 | -0.001 | -0.014 | 45.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 225 | PRO | 0 | 0.010 | 0.012 | 47.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 226 | PRO | 0 | -0.033 | -0.019 | 44.668 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 227 | ASP | -1 | -0.813 | -0.921 | 46.130 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 228 | PRO | 0 | -0.047 | -0.002 | 46.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 229 | MET | 0 | -0.082 | -0.034 | 48.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 230 | LEU | 0 | 0.008 | 0.011 | 45.896 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 231 | ALA | 0 | 0.026 | -0.002 | 47.705 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 232 | PRO | 0 | 0.059 | 0.030 | 49.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 233 | ALA | 0 | -0.036 | 0.002 | 48.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 234 | ALA | 0 | -0.035 | -0.008 | 49.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 235 | GLY | 0 | -0.008 | -0.038 | 51.782 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 236 | GLU | -1 | -0.962 | -0.961 | 51.916 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 237 | GLY | 0 | 0.009 | 0.009 | 53.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 238 | PRO | 0 | -0.034 | -0.010 | 54.022 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 239 | GLY | 0 | 0.007 | -0.005 | 51.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 240 | VAL | 0 | -0.029 | -0.035 | 52.669 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 241 | ASP | -1 | -0.795 | -0.929 | 52.011 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 242 | LEU | 0 | -0.028 | -0.013 | 47.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 243 | ALA | 0 | 0.031 | 0.027 | 50.213 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 244 | ALA | 0 | 0.031 | 0.009 | 51.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 245 | LYS | 1 | 0.854 | 0.927 | 54.161 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 246 | ALA | 0 | 0.018 | 0.006 | 50.883 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 247 | GLN | 0 | -0.057 | -0.027 | 52.912 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 248 | VAL | 0 | 0.012 | 0.003 | 55.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 249 | TRP | 0 | -0.025 | -0.014 | 54.833 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 250 | LEU | 0 | -0.020 | -0.014 | 52.825 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 251 | GLU | -1 | -0.941 | -0.988 | 55.736 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 252 | GLN | 0 | -0.004 | -0.002 | 58.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 253 | VAL | 0 | -0.014 | 0.007 | 53.569 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 254 | CYS | 0 | -0.017 | -0.004 | 55.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 255 | ALA | 0 | -0.007 | 0.009 | 57.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 256 | HIS | 0 | -0.005 | -0.005 | 56.603 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 257 | LEU | 0 | -0.065 | -0.041 | 53.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 258 | GLY | 0 | -0.034 | 0.011 | 58.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 259 | LEU | 0 | -0.073 | -0.044 | 54.307 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 260 | GLY | 0 | -0.015 | -0.004 | 58.668 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 261 | VAL | 0 | 0.048 | 0.010 | 57.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 262 | GLN | 0 | -0.014 | -0.016 | 56.359 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 263 | GLU | -1 | -0.865 | -0.916 | 54.261 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 264 | PRO | 0 | -0.019 | -0.002 | 51.271 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 265 | HIS | 0 | 0.043 | 0.039 | 46.249 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 266 | PRO | 0 | 0.033 | -0.006 | 48.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 267 | GLY | 0 | 0.033 | 0.020 | 45.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 268 | GLU | -1 | -0.766 | -0.895 | 43.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 269 | ARG | 1 | 0.919 | 0.982 | 44.521 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 270 | ALA | 0 | 0.033 | 0.015 | 45.231 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 271 | ALA | 0 | -0.015 | 0.013 | 40.685 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 272 | PHE | 0 | -0.090 | -0.046 | 41.455 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 273 | VAL | 0 | 0.060 | 0.025 | 43.172 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 274 | ALA | 0 | -0.001 | -0.002 | 41.411 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 275 | TYR | 0 | -0.002 | -0.011 | 35.600 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 276 | ALA | 0 | -0.018 | -0.022 | 40.239 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 277 | LEU | 0 | 0.011 | 0.007 | 43.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 278 | ALA | 0 | -0.039 | -0.001 | 37.862 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 279 | PHE | 0 | -0.094 | -0.046 | 34.170 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 280 | PRO | 0 | 0.058 | 0.037 | 39.913 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 281 | ARG | 1 | 0.914 | 0.941 | 41.354 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 282 | ALA | 0 | -0.030 | -0.018 | 38.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 283 | PHE | 0 | 0.053 | 0.036 | 38.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 284 | GLN | 0 | -0.050 | -0.038 | 35.880 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 285 | GLY | 0 | 0.057 | 0.031 | 40.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 286 | LEU | 0 | -0.053 | -0.016 | 36.068 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 287 | LEU | 0 | 0.006 | -0.008 | 39.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 288 | ASP | -1 | -0.803 | -0.940 | 39.448 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 289 | THR | 0 | -0.016 | 0.015 | 39.809 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 290 | TYR | 0 | 0.024 | 0.013 | 41.248 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 291 | SER | 0 | -0.026 | 0.007 | 44.810 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 292 | VAL | 0 | 0.087 | 0.034 | 44.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 293 | TRP | 0 | -0.040 | -0.017 | 46.615 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 294 | ARG | 1 | 0.914 | 0.923 | 50.320 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 295 | SER | 0 | -0.024 | -0.030 | 47.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 296 | GLY | 0 | 0.069 | 0.053 | 45.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 297 | LEU | 0 | -0.053 | -0.032 | 46.234 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 298 | PRO | 0 | 0.032 | 0.015 | 48.302 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 299 | ASN | 0 | 0.027 | 0.009 | 47.328 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 300 | PHE | 0 | -0.004 | -0.005 | 43.466 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 301 | LEU | 0 | -0.027 | -0.019 | 47.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 302 | ALA | 0 | 0.014 | 0.012 | 50.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 303 | VAL | 0 | -0.021 | -0.017 | 46.219 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 304 | ALA | 0 | -0.078 | -0.057 | 47.406 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 305 | LEU | 0 | -0.003 | 0.019 | 48.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 306 | ALA | 0 | 0.029 | 0.034 | 51.327 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 307 | LEU | 0 | -0.027 | -0.033 | 45.228 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 308 | GLY | 0 | 0.011 | 0.016 | 49.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 309 | GLU | -1 | -0.830 | -0.904 | 51.746 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 310 | LEU | 0 | -0.072 | -0.034 | 50.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 311 | GLY | 0 | -0.001 | 0.003 | 51.990 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 312 | TYR | 0 | -0.103 | -0.045 | 45.818 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 313 | ARG | 1 | 0.971 | 0.975 | 46.413 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 314 | ALA | 0 | -0.004 | 0.016 | 44.304 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 315 | VAL | 0 | -0.019 | -0.018 | 38.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 316 | GLY | 0 | -0.038 | -0.020 | 39.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 317 | VAL | 0 | 0.016 | 0.017 | 40.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 318 | ARG | 1 | 0.915 | 0.952 | 31.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 319 | LEU | 0 | -0.025 | 0.010 | 38.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 320 | ASP | -1 | -0.834 | -0.918 | 34.108 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 321 | SER | 0 | -0.066 | -0.023 | 36.991 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 322 | GLY | 0 | 0.044 | 0.011 | 39.435 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 323 | ASP | -1 | -0.849 | -0.927 | 41.468 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 324 | LEU | 0 | 0.031 | 0.007 | 37.832 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 325 | LEU | 0 | -0.002 | -0.006 | 42.123 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 326 | GLN | 0 | -0.004 | 0.016 | 43.870 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 327 | GLN | 0 | 0.022 | -0.001 | 43.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 328 | ALA | 0 | 0.013 | 0.007 | 43.372 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 329 | GLN | 0 | 0.059 | 0.013 | 45.423 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 330 | GLU | -1 | -0.923 | -0.958 | 48.753 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 331 | ILE | 0 | -0.014 | -0.014 | 44.717 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 332 | ARG | 1 | 0.856 | 0.945 | 44.314 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 333 | LYS | 1 | 0.875 | 0.949 | 49.788 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 334 | VAL | 0 | 0.025 | 0.016 | 51.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 335 | PHE | 0 | 0.009 | 0.003 | 45.814 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 336 | ARG | 1 | 0.955 | 0.981 | 51.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 337 | ALA | 0 | -0.062 | -0.048 | 54.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 338 | ALA | 0 | 0.029 | 0.013 | 53.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 339 | ALA | 0 | 0.024 | 0.022 | 53.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 340 | ALA | 0 | -0.021 | -0.005 | 55.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 341 | GLN | 0 | -0.039 | 0.000 | 59.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 342 | PHE | 0 | -0.061 | -0.045 | 56.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 343 | GLN | 0 | -0.042 | -0.010 | 58.573 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 344 | VAL | 0 | -0.012 | -0.011 | 52.771 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 345 | PRO | 0 | 0.039 | 0.005 | 53.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 346 | TRP | 0 | 0.027 | 0.007 | 48.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 347 | LEU | 0 | -0.018 | -0.004 | 48.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 348 | GLU | -1 | -0.921 | -0.957 | 49.101 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 349 | SER | 0 | -0.047 | -0.043 | 46.698 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 350 | VAL | 0 | -0.039 | 0.010 | 43.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 351 | LEU | 0 | -0.035 | -0.015 | 38.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 352 | ILE | 0 | 0.013 | -0.002 | 40.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 353 | VAL | 0 | -0.043 | -0.023 | 34.539 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 354 | VAL | 0 | 0.042 | 0.017 | 36.177 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 355 | SER | 0 | -0.063 | -0.050 | 31.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 356 | ASN | 0 | -0.005 | 0.003 | 31.999 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 357 | ASN | 0 | 0.061 | 0.044 | 32.023 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 358 | ILE | 0 | -0.058 | -0.037 | 27.402 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 359 | ASP | -1 | -0.888 | -0.962 | 30.161 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 360 | GLU | -1 | -0.864 | -0.946 | 30.631 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 361 | GLU | -1 | -0.956 | -0.966 | 33.300 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 362 | ALA | 0 | -0.007 | -0.004 | 35.535 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 363 | LEU | 0 | -0.043 | -0.032 | 32.057 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 364 | ALA | 0 | 0.006 | -0.001 | 35.959 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 365 | ARG | 1 | 0.890 | 0.978 | 38.756 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 366 | LEU | 0 | -0.029 | -0.008 | 37.003 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 367 | ALA | 0 | 0.014 | 0.037 | 37.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 368 | GLN | 0 | -0.034 | -0.013 | 39.505 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 369 | GLU | -1 | -0.846 | -0.951 | 42.497 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 370 | GLY | 0 | -0.072 | -0.029 | 45.768 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 371 | SER | 0 | -0.042 | -0.036 | 41.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 372 | GLU | -1 | -0.872 | -0.948 | 44.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 373 | VAL | 0 | -0.053 | -0.010 | 38.475 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 374 | ASN | 0 | -0.025 | -0.023 | 39.673 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 375 | VAL | 0 | 0.005 | -0.001 | 33.630 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 376 | ILE | 0 | 0.029 | 0.011 | 32.853 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 377 | GLY | 0 | -0.017 | -0.001 | 30.249 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 378 | ILE | 0 | -0.094 | -0.043 | 25.380 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 390 | SER | 0 | 0.009 | -0.015 | 17.784 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 391 | LEU | 0 | 0.040 | 0.017 | 18.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 392 | GLY | 0 | -0.034 | -0.009 | 18.807 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 393 | GLY | 0 | -0.004 | -0.006 | 16.696 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 394 | VAL | 0 | -0.030 | -0.011 | 16.616 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 395 | TYR | 0 | 0.040 | -0.026 | 10.907 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 396 | LYS | 1 | 0.892 | 0.957 | 14.946 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 397 | LEU | 0 | -0.006 | 0.016 | 16.882 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 398 | VAL | 0 | 0.027 | 0.010 | 18.160 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 399 | ALA | 0 | 0.002 | -0.010 | 20.305 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 400 | VAL | 0 | -0.011 | -0.007 | 19.429 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 401 | GLY | 0 | 0.023 | 0.026 | 21.725 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 402 | GLY | 0 | 0.005 | -0.005 | 23.976 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 403 | GLN | 0 | 0.031 | 0.028 | 25.266 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 404 | PRO | 0 | 0.008 | -0.002 | 25.149 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 405 | ARG | 1 | 0.869 | 0.938 | 22.250 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 406 | MET | 0 | 0.045 | 0.013 | 24.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 407 | LYS | 1 | 0.854 | 0.943 | 19.894 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 408 | LEU | 0 | 0.057 | 0.041 | 26.162 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 416 | THR | 0 | -0.019 | -0.017 | 22.861 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 417 | LEU | 0 | 0.020 | 0.005 | 24.600 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 418 | PRO | 0 | 0.037 | 0.034 | 24.574 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 419 | GLY | 0 | -0.006 | 0.007 | 24.985 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 420 | SER | 0 | -0.055 | -0.014 | 22.871 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 421 | LYS | 1 | 0.857 | 0.908 | 23.723 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 422 | ALA | 0 | -0.017 | -0.002 | 24.781 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 423 | ALA | 0 | 0.011 | -0.008 | 25.832 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 424 | PHE | 0 | 0.028 | 0.007 | 27.712 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 425 | ARG | 1 | 0.815 | 0.869 | 27.252 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 426 | LEU | 0 | -0.023 | 0.001 | 32.077 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 427 | LEU | 0 | -0.007 | -0.021 | 34.721 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 428 | GLY | 0 | -0.017 | 0.019 | 37.697 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 429 | SER | 0 | 0.020 | -0.018 | 40.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 430 | ASP | -1 | -0.843 | -0.908 | 42.447 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 431 | GLY | 0 | -0.096 | -0.069 | 39.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 432 | SER | 0 | 0.000 | 0.014 | 37.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 433 | PRO | 0 | -0.005 | -0.028 | 33.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 434 | LEU | 0 | -0.017 | 0.001 | 36.012 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 435 | MET | 0 | -0.160 | -0.068 | 34.089 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 436 | ASP | -1 | -0.757 | -0.777 | 28.472 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 437 | MET | 0 | -0.001 | -0.031 | 31.365 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 438 | LEU | 0 | -0.062 | -0.038 | 26.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 439 | GLN | 0 | 0.041 | -0.001 | 29.132 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 440 | LEU | 0 | 0.001 | 0.014 | 28.717 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 441 | ALA | 0 | 0.027 | 0.002 | 26.099 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 442 | GLU | -1 | -0.964 | -0.981 | 28.221 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 443 | GLU | -1 | -0.865 | -0.867 | 31.536 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 444 | PRO | 0 | 0.011 | 0.001 | 33.355 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 445 | VAL | 0 | 0.016 | 0.016 | 32.905 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 446 | PRO | 0 | 0.014 | 0.044 | 34.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 447 | GLN | 0 | -0.083 | -0.082 | 37.198 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 448 | ALA | 0 | 0.082 | 0.047 | 39.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 449 | GLY | 0 | -0.099 | -0.036 | 42.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 450 | GLN | 0 | -0.037 | -0.037 | 42.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 451 | GLU | -1 | -0.894 | -0.943 | 38.390 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 452 | LEU | 0 | 0.023 | 0.017 | 41.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 453 | ARG | 1 | 0.983 | 0.989 | 36.014 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 454 | VAL | 0 | 0.009 | 0.032 | 37.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 455 | TRP | 0 | -0.008 | -0.026 | 36.371 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 456 | PRO | 0 | 0.049 | 0.016 | 32.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 457 | PRO | 0 | -0.094 | -0.065 | 35.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 458 | GLY | 0 | -0.007 | 0.003 | 38.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 459 | ALA | 0 | 0.027 | -0.004 | 38.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 460 | GLN | 0 | 0.008 | 0.048 | 39.833 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 461 | GLU | -1 | -0.936 | -0.991 | 42.758 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 462 | PRO | 0 | -0.019 | -0.007 | 41.774 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 463 | CYS | 0 | 0.010 | 0.028 | 41.209 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 464 | THR | 0 | 0.023 | -0.009 | 43.083 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 465 | VAL | 0 | -0.026 | -0.013 | 40.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 466 | ARG | 1 | 0.987 | 0.995 | 42.920 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 467 | PRO | 0 | 0.001 | 0.012 | 38.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 468 | ALA | 0 | -0.024 | 0.003 | 41.036 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 469 | GLN | 0 | -0.008 | -0.011 | 37.768 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 470 | VAL | 0 | 0.018 | -0.008 | 34.414 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 471 | GLU | -1 | -0.909 | -0.938 | 31.266 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 472 | PRO | 0 | 0.011 | 0.013 | 28.778 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 473 | LEU | 0 | -0.024 | -0.015 | 25.616 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 474 | LEU | 0 | -0.037 | 0.000 | 20.047 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 475 | ARG | 1 | 0.866 | 0.904 | 22.412 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 476 | LEU | 0 | -0.033 | -0.020 | 20.701 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 477 | CYS | 0 | 0.021 | 0.022 | 17.509 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 478 | LEU | 0 | -0.062 | -0.036 | 12.990 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 479 | GLN | 0 | 0.017 | 0.012 | 17.465 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 480 | GLN | 0 | 0.009 | 0.006 | 17.402 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 481 | GLY | 0 | 0.018 | 0.016 | 14.507 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 482 | GLN | 0 | -0.010 | 0.005 | 15.454 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 483 | LEU | 0 | 0.010 | -0.002 | 15.343 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 484 | CYS | 0 | -0.043 | -0.036 | 18.775 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 485 | GLU | -1 | -0.826 | -0.900 | 21.394 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 486 | PRO | 0 | -0.037 | 0.009 | 21.259 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 487 | LEU | 0 | 0.003 | 0.000 | 16.760 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 488 | PRO | 0 | 0.109 | 0.069 | 21.130 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 489 | SER | 0 | 0.026 | 0.040 | 22.026 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 490 | LEU | 0 | 0.016 | -0.010 | 20.003 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 491 | ALA | 0 | 0.007 | 0.002 | 23.571 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 492 | GLU | -1 | -0.861 | -0.933 | 26.205 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 493 | SER | 0 | 0.004 | -0.016 | 23.056 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 494 | ARG | 1 | 0.911 | 0.979 | 25.059 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 495 | ALA | 0 | 0.001 | 0.002 | 26.530 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 496 | LEU | 0 | 0.045 | 0.029 | 26.052 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 497 | ALA | 0 | 0.057 | 0.041 | 25.855 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 498 | GLN | 0 | -0.076 | -0.033 | 27.931 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 499 | LEU | 0 | 0.011 | 0.012 | 30.999 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 500 | SER | 0 | -0.033 | -0.020 | 29.647 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 501 | LEU | 0 | -0.034 | -0.025 | 28.615 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 502 | SER | 0 | -0.074 | -0.047 | 32.449 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 503 | ARG | 1 | 0.916 | 0.971 | 35.336 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 504 | LEU | 0 | 0.045 | 0.045 | 31.852 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 505 | SER | 0 | 0.128 | 0.062 | 35.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 506 | PRO | 0 | 0.019 | 0.004 | 37.430 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 507 | GLU | -1 | -0.935 | -0.984 | 38.673 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 508 | HIS | 1 | 0.856 | 0.929 | 33.534 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 509 | ARG | 1 | 0.921 | 0.970 | 33.354 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 510 | ARG | 1 | 0.840 | 0.927 | 34.261 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 511 | LEU | 0 | 0.030 | 0.032 | 32.280 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 512 | ARG | 1 | 1.000 | 0.997 | 33.243 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 513 | SER | 0 | 0.012 | 0.005 | 35.087 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 514 | PRO | 0 | 0.032 | 0.034 | 33.064 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 515 | ALA | 0 | -0.002 | -0.012 | 35.867 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 516 | GLN | 0 | 0.000 | -0.009 | 32.863 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 517 | TYR | 0 | -0.055 | -0.069 | 30.762 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 518 | GLN | 0 | -0.010 | -0.003 | 32.449 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 519 | VAL | 0 | -0.002 | 0.005 | 28.599 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 520 | VAL | 0 | -0.042 | -0.023 | 31.921 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 521 | LEU | 0 | 0.006 | 0.009 | 30.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 522 | SER | 0 | -0.005 | -0.063 | 33.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 523 | GLU | -1 | -0.872 | -0.957 | 35.484 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 524 | ARG | 1 | 0.961 | 0.979 | 34.992 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 525 | LEU | 0 | -0.037 | -0.012 | 29.364 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 526 | GLN | 0 | 0.016 | -0.021 | 32.866 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 527 | ALA | 0 | -0.038 | -0.004 | 35.192 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 528 | LEU | 0 | -0.051 | -0.015 | 29.548 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 529 | VAL | 0 | -0.034 | -0.015 | 30.852 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 530 | ASN | 0 | 0.010 | 0.045 | 32.917 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 531 | SER | 0 | -0.084 | -0.043 | 35.365 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 532 | LEU | 0 | 0.014 | 0.003 | 33.500 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 533 | CYS | 0 | 0.038 | 0.006 | 32.189 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |