FMODB ID: 9YJN2
Calculation Name: 7CHE-ABHLR-Xray233
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 7CHE
Chain ID: ABHLR
Base Structure: X-ray
Registration Date: 2021-05-23
Reference: C. Watanabe, T. Honma et. al., Interaction energy analysis between SARS-CoV-2 spike protein and antibodiy, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20210516 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 1046 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -28721744.731739 |
---|---|
FMO2-HF: Nuclear repulsion | 28320270.387653 |
FMO2-HF: Total energy | -401474.344085 |
FMO2-MP2: Total energy | -402644.917592 |
3D Structure
Ligand structure
Ligand Interaction
SARS-CoV-2 spike protein and two antibodies binding energy (frag 426-615 : frag 1-425,616-1046)
"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. |
-777.9811 | -730.3659 | 403.7204 | -173.7286 | -277.6070 | 0.2633 |
Interactive mode: IFIE and PIEDA for fragment #1(H:1:GLU )
Summations of interaction energy for
fragment #1(H:1:GLU )
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. |
-162.273 | -157.547 | 1.839 | -2.763 | -3.803 | 0.016 |
Interaction energy analysis for fragmet #1(H:1:GLU )
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 | H | 3 | GLN | 0 | -0.038 | -0.015 | 2.287 | -15.472 | -12.552 | 1.828 | -2.037 | -2.712 | 0.013 |
4 | H | 4 | LEU | 0 | -0.014 | -0.011 | 5.782 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | H | 5 | VAL | 0 | 0.026 | 0.011 | 7.887 | -0.843 | -0.843 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | H | 6 | GLU | -1 | -0.770 | -0.890 | 10.686 | 18.424 | 18.424 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | H | 7 | SER | 0 | -0.025 | -0.019 | 14.506 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | H | 8 | GLY | 0 | 0.032 | 0.009 | 17.140 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | H | 9 | GLY | 0 | 0.012 | 0.011 | 20.686 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | H | 10 | GLY | 0 | -0.010 | -0.011 | 22.569 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | H | 11 | LEU | 0 | -0.055 | -0.016 | 25.747 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | H | 12 | ILE | 0 | -0.021 | -0.002 | 29.116 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | H | 13 | GLN | 0 | 0.044 | 0.021 | 31.310 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | H | 14 | PRO | 0 | 0.012 | -0.009 | 34.608 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | H | 15 | GLY | 0 | -0.019 | 0.001 | 36.333 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | H | 16 | GLY | 0 | 0.002 | 0.007 | 34.003 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | H | 17 | SER | 0 | -0.062 | -0.056 | 30.117 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | H | 18 | LEU | 0 | 0.013 | 0.005 | 25.014 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | H | 19 | ARG | 1 | 0.899 | 0.963 | 21.142 | -13.124 | -13.124 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | H | 20 | LEU | 0 | 0.007 | 0.025 | 19.765 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | H | 21 | SER | 0 | -0.011 | -0.024 | 16.894 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | H | 95 | CYS | 0 | -0.069 | -0.022 | 13.596 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | H | 23 | ALA | 0 | 0.021 | 0.038 | 10.765 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | H | 24 | ALA | 0 | 0.022 | 0.006 | 8.466 | 0.525 | 0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | H | 25 | SER | 0 | 0.002 | -0.005 | 3.447 | -3.862 | -3.075 | 0.002 | -0.362 | -0.427 | 0.001 |
26 | H | 26 | GLY | 0 | 0.094 | 0.062 | 3.865 | 1.491 | 1.998 | 0.011 | -0.199 | -0.319 | 0.001 |
27 | H | 27 | ILE | 0 | -0.013 | -0.015 | 4.481 | -5.050 | -4.827 | -0.001 | -0.038 | -0.184 | 0.000 |
28 | H | 28 | THR | 0 | 0.016 | 0.022 | 7.899 | -1.744 | -1.744 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | H | 29 | VAL | 0 | 0.027 | 0.015 | 10.843 | -1.818 | -1.818 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | H | 30 | SER | 0 | -0.035 | -0.028 | 14.079 | -1.203 | -1.203 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | H | 31 | SER | 0 | -0.045 | -0.030 | 12.785 | -1.870 | -1.870 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | H | 32 | ASN | 0 | -0.031 | -0.021 | 11.289 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | H | 33 | TYR | 0 | -0.020 | -0.003 | 15.257 | -1.008 | -1.008 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | H | 34 | MET | 0 | -0.036 | -0.006 | 13.142 | 1.586 | 1.586 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | H | 35 | SER | 0 | -0.017 | -0.012 | 17.349 | -1.287 | -1.287 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | H | 36 | TRP | 0 | 0.018 | 0.003 | 17.517 | 0.905 | 0.905 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | H | 37 | VAL | 0 | 0.004 | -0.001 | 20.482 | -0.691 | -0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | H | 38 | ARG | 1 | 0.790 | 0.873 | 21.499 | -10.212 | -10.212 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | H | 39 | GLN | 0 | 0.013 | 0.015 | 22.914 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | H | 40 | ALA | 0 | 0.065 | 0.040 | 25.635 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | H | 41 | PRO | 0 | 0.016 | -0.009 | 28.846 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | H | 42 | GLY | 0 | 0.012 | 0.015 | 29.406 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | H | 43 | LYS | 1 | 0.846 | 0.923 | 29.449 | -9.493 | -9.493 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | H | 44 | GLY | 0 | 0.066 | 0.032 | 27.879 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | H | 45 | LEU | 0 | -0.037 | -0.009 | 22.224 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | H | 46 | GLU | -1 | -0.788 | -0.853 | 25.867 | 10.071 | 10.071 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | H | 47 | TRP | 0 | 0.010 | -0.012 | 22.741 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | H | 48 | VAL | 0 | -0.010 | 0.000 | 24.288 | -0.488 | -0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | H | 49 | SER | 0 | 0.012 | -0.012 | 24.210 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | H | 50 | VAL | 0 | -0.044 | -0.014 | 20.890 | 0.719 | 0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | H | 51 | ILE | 0 | 0.009 | 0.007 | 19.751 | -0.578 | -0.578 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | H | 52 | TYR | 0 | 0.015 | 0.011 | 20.155 | 0.838 | 0.838 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | H | 53 | SER | 0 | -0.014 | -0.013 | 17.760 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | H | 54 | GLY | 0 | 0.024 | 0.015 | 19.320 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | H | 55 | GLY | 0 | -0.048 | -0.029 | 22.746 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | H | 56 | SER | 0 | -0.010 | -0.023 | 24.006 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | H | 57 | THR | 0 | -0.044 | -0.023 | 24.699 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | H | 58 | ASP | -1 | -0.819 | -0.905 | 26.355 | 10.278 | 10.278 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | H | 59 | TYR | 0 | -0.026 | -0.018 | 26.877 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | H | 60 | ALA | 0 | 0.073 | 0.050 | 28.889 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | H | 61 | ASP | -1 | -0.822 | -0.924 | 30.641 | 9.271 | 9.271 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | H | 62 | SER | 0 | -0.055 | -0.028 | 31.432 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | H | 63 | VAL | 0 | -0.033 | -0.028 | 28.498 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | H | 64 | LYS | 1 | 0.862 | 0.928 | 31.829 | -9.686 | -9.686 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | H | 65 | GLY | 0 | -0.019 | -0.001 | 33.335 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | H | 66 | ARG | 1 | 0.728 | 0.848 | 32.386 | -9.490 | -9.490 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | H | 67 | PHE | 0 | 0.019 | -0.001 | 26.756 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | H | 68 | THR | 0 | -0.031 | -0.024 | 27.321 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | H | 69 | ILE | 0 | -0.010 | 0.018 | 20.755 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | H | 70 | SER | 0 | -0.002 | -0.009 | 22.065 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | H | 71 | ARG | 1 | 0.831 | 0.900 | 18.076 | -15.668 | -15.668 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | H | 72 | ASP | -1 | -0.832 | -0.891 | 18.211 | 15.161 | 15.161 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | H | 73 | LYS | 1 | 0.992 | 0.972 | 16.843 | -14.338 | -14.338 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | H | 74 | SER | 0 | 0.002 | 0.007 | 15.916 | 1.330 | 1.330 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | H | 75 | LYS | 1 | 0.876 | 0.931 | 15.027 | -15.450 | -15.450 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | H | 76 | ASN | 0 | -0.022 | -0.002 | 9.564 | -1.014 | -1.014 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | H | 77 | THR | 0 | -0.004 | -0.009 | 12.230 | 1.260 | 1.260 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | H | 78 | LEU | 0 | -0.016 | -0.001 | 14.587 | -0.979 | -0.979 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | H | 79 | TYR | 0 | 0.009 | -0.027 | 16.731 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | H | 80 | LEU | 0 | 0.001 | -0.001 | 19.713 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | H | 81 | GLN | 0 | -0.020 | 0.001 | 22.740 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | H | 82 | MET | 0 | -0.003 | 0.011 | 24.119 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | H | 83 | ASN | 0 | 0.033 | 0.006 | 28.217 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | H | 84 | SER | 0 | 0.026 | 0.020 | 31.922 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | H | 85 | LEU | 0 | -0.032 | -0.004 | 29.012 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | H | 86 | ARG | 1 | 0.904 | 0.943 | 33.177 | -8.771 | -8.771 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | H | 87 | ALA | 0 | 0.058 | 0.024 | 33.477 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | H | 88 | GLU | -1 | -0.842 | -0.924 | 33.518 | 8.768 | 8.768 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | H | 89 | ASP | -1 | -0.767 | -0.832 | 29.533 | 9.938 | 9.938 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | H | 90 | THR | 0 | -0.002 | 0.016 | 28.546 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | H | 91 | ALA | 0 | -0.021 | -0.011 | 26.071 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | H | 92 | VAL | 0 | -0.011 | 0.003 | 20.626 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | H | 93 | TYR | 0 | -0.018 | -0.030 | 21.065 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | H | 94 | TYR | 0 | 0.011 | -0.012 | 16.992 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | H | 96 | ALA | 0 | 0.035 | 0.000 | 14.566 | 1.027 | 1.027 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | H | 97 | ARG | 1 | 0.774 | 0.847 | 10.084 | -28.755 | -28.755 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | H | 98 | ASP | -1 | -0.822 | -0.903 | 14.017 | 15.574 | 15.574 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | H | 99 | LEU | 0 | -0.011 | 0.003 | 12.773 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | H | 100 | GLY | 0 | 0.043 | 0.037 | 16.815 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | H | 101 | GLU | -1 | -0.863 | -0.982 | 20.372 | 12.220 | 12.220 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | H | 102 | ALA | 0 | -0.053 | -0.014 | 17.722 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | H | 103 | GLY | 0 | 0.008 | -0.001 | 16.088 | 0.781 | 0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | H | 104 | GLY | 0 | 0.017 | 0.002 | 16.853 | -0.837 | -0.837 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | H | 105 | MET | 0 | -0.011 | -0.008 | 15.997 | 0.775 | 0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | H | 106 | ASP | -1 | -0.786 | -0.875 | 10.931 | 25.897 | 25.897 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | H | 107 | VAL | 0 | -0.034 | -0.008 | 7.909 | 1.195 | 1.195 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | H | 108 | TRP | 0 | -0.003 | -0.020 | 11.051 | -1.632 | -1.632 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | H | 109 | GLY | 0 | 0.027 | 0.016 | 11.227 | 1.808 | 1.808 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | H | 110 | GLN | 0 | -0.088 | -0.039 | 11.952 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | H | 111 | GLY | 0 | -0.023 | -0.013 | 13.445 | -1.060 | -1.060 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | H | 112 | THR | 0 | -0.050 | -0.032 | 16.793 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | H | 113 | THR | 0 | 0.002 | 0.006 | 19.275 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | H | 114 | VAL | 0 | -0.008 | -0.007 | 23.033 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | H | 115 | THR | 0 | -0.037 | -0.021 | 25.964 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | H | 116 | VAL | 0 | 0.025 | 0.014 | 29.536 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | H | 117 | SER | 0 | -0.004 | -0.008 | 32.434 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | H | 118 | SER | 0 | 0.026 | -0.006 | 35.337 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | H | 119 | ALA | 0 | -0.024 | 0.012 | 36.514 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | H | 120 | SER | 0 | 0.029 | 0.013 | 36.245 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | H | 121 | THR | 0 | -0.029 | -0.026 | 31.701 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | H | 122 | LYS | 1 | 0.844 | 0.925 | 34.286 | -7.704 | -7.704 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | H | 123 | GLY | 0 | 0.063 | 0.038 | 33.168 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | H | 124 | PRO | 0 | -0.048 | -0.017 | 31.797 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | H | 125 | SER | 0 | -0.019 | 0.001 | 34.984 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | H | 126 | VAL | 0 | 0.002 | -0.015 | 33.439 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | H | 127 | PHE | 0 | 0.036 | 0.022 | 36.616 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | H | 128 | PRO | 0 | 0.013 | 0.007 | 38.400 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | H | 129 | LEU | 0 | -0.024 | -0.015 | 38.150 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | H | 130 | ALA | 0 | 0.044 | 0.020 | 40.077 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | H | 131 | PRO | 0 | 0.042 | 0.028 | 41.128 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | H | 132 | SER | 0 | 0.019 | -0.003 | 43.245 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | H | 133 | SER | 0 | -0.021 | -0.002 | 45.741 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | H | 134 | LYS | 1 | 0.961 | 0.977 | 46.970 | -5.865 | -5.865 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | H | 135 | SER | 0 | -0.053 | -0.022 | 46.945 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | H | 136 | THR | 0 | 0.043 | 0.002 | 47.913 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | H | 137 | SER | 0 | 0.046 | 0.011 | 46.033 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | H | 138 | GLY | 0 | -0.001 | 0.024 | 45.074 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | H | 139 | GLY | 0 | 0.040 | 0.021 | 44.105 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | H | 140 | THR | 0 | -0.039 | -0.006 | 39.275 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | H | 141 | ALA | 0 | -0.006 | 0.008 | 40.879 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | H | 142 | ALA | 0 | 0.017 | 0.006 | 38.423 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | H | 143 | LEU | 0 | -0.015 | -0.005 | 36.836 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | H | 144 | GLY | 0 | 0.050 | 0.013 | 35.333 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | H | 201 | CYS | 0 | -0.085 | -0.003 | 30.868 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | H | 146 | LEU | 0 | -0.013 | 0.004 | 34.853 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | H | 147 | VAL | 0 | -0.007 | 0.006 | 31.438 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | H | 148 | LYS | 1 | 0.878 | 0.916 | 34.841 | -7.365 | -7.365 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | H | 149 | ASP | -1 | -0.801 | -0.880 | 37.470 | 7.322 | 7.322 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | H | 150 | TYR | 0 | 0.018 | -0.007 | 30.314 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | H | 151 | PHE | 0 | 0.047 | 0.021 | 33.092 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | H | 152 | PRO | 0 | 0.019 | 0.022 | 28.880 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | H | 153 | GLU | -1 | -0.766 | -0.871 | 27.392 | 9.916 | 9.916 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | H | 154 | PRO | 0 | -0.033 | -0.012 | 22.914 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | H | 155 | VAL | 0 | -0.001 | -0.009 | 26.000 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | H | 156 | THR | 0 | -0.067 | -0.028 | 21.788 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | H | 157 | VAL | 0 | 0.008 | -0.016 | 25.033 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | H | 158 | SER | 0 | -0.028 | 0.005 | 23.896 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | H | 159 | TRP | 0 | 0.050 | 0.017 | 25.996 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | H | 160 | ASN | 0 | 0.019 | -0.006 | 27.303 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | H | 161 | SER | 0 | -0.026 | -0.021 | 24.767 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | H | 162 | GLY | 0 | 0.007 | 0.011 | 22.952 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | H | 163 | ALA | 0 | -0.043 | -0.015 | 23.899 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | H | 164 | LEU | 0 | -0.017 | -0.007 | 26.422 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | H | 165 | THR | 0 | 0.008 | -0.006 | 23.045 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | H | 166 | SER | 0 | 0.025 | 0.007 | 26.427 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | H | 167 | GLY | 0 | 0.038 | 0.017 | 28.629 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | H | 168 | VAL | 0 | -0.055 | -0.018 | 27.972 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | H | 169 | HIS | 0 | -0.016 | 0.004 | 28.983 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | H | 170 | THR | 0 | 0.004 | -0.027 | 27.401 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | H | 171 | PHE | 0 | -0.043 | -0.004 | 29.117 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | H | 172 | PRO | 0 | -0.018 | -0.005 | 29.643 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | H | 173 | ALA | 0 | 0.013 | 0.004 | 30.488 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | H | 174 | VAL | 0 | -0.015 | -0.011 | 32.460 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | H | 175 | LEU | 0 | -0.010 | 0.008 | 35.873 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | H | 176 | GLN | 0 | 0.017 | 0.015 | 37.257 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | H | 177 | SER | 0 | 0.017 | -0.007 | 40.821 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | H | 178 | SER | 0 | -0.039 | -0.028 | 41.428 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | H | 179 | GLY | 0 | 0.008 | 0.011 | 40.159 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | H | 180 | LEU | 0 | -0.087 | -0.034 | 37.145 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | H | 181 | TYR | 0 | 0.018 | -0.004 | 32.088 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | H | 182 | SER | 0 | -0.010 | -0.019 | 35.566 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | H | 183 | LEU | 0 | 0.011 | 0.018 | 29.494 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | H | 184 | SER | 0 | 0.005 | 0.004 | 33.687 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | H | 185 | SER | 0 | -0.003 | 0.012 | 30.458 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | H | 186 | VAL | 0 | 0.024 | -0.012 | 32.331 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | H | 187 | VAL | 0 | 0.027 | 0.023 | 31.935 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | H | 188 | THR | 0 | -0.028 | -0.009 | 33.923 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | H | 189 | VAL | 0 | 0.009 | -0.002 | 34.910 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | H | 190 | PRO | 0 | 0.042 | 0.024 | 36.985 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | H | 191 | SER | 0 | 0.012 | -0.026 | 39.942 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | H | 192 | SER | 0 | 0.016 | -0.003 | 42.562 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | H | 193 | SER | 0 | -0.038 | -0.015 | 37.390 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | H | 194 | LEU | 0 | -0.047 | -0.022 | 40.102 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | H | 195 | GLY | 0 | 0.014 | 0.020 | 42.054 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | H | 196 | THR | 0 | -0.050 | -0.022 | 40.824 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 197 | GLN | 0 | 0.028 | 0.021 | 32.976 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 198 | THR | 0 | -0.020 | -0.006 | 35.593 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 199 | TYR | 0 | 0.007 | 0.005 | 34.079 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 200 | ILE | 0 | 0.015 | -0.004 | 31.811 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 202 | ASN | 0 | -0.020 | -0.041 | 27.225 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 203 | VAL | 0 | 0.038 | 0.018 | 27.318 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 204 | ASN | 0 | -0.023 | -0.022 | 23.245 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 205 | HIS | 0 | 0.032 | 0.005 | 25.971 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 206 | LYS | 1 | 0.972 | 0.985 | 21.897 | -11.861 | -11.861 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 207 | PRO | 0 | 0.000 | 0.001 | 25.222 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 208 | SER | 0 | 0.024 | 0.004 | 27.534 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 209 | ASN | 0 | -0.069 | -0.035 | 26.567 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 210 | THR | 0 | 0.021 | 0.032 | 28.247 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 211 | LYS | 1 | 0.879 | 0.921 | 26.023 | -9.818 | -9.818 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 212 | VAL | 0 | -0.003 | 0.000 | 29.433 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 213 | ASP | -1 | -0.811 | -0.874 | 29.404 | 9.863 | 9.863 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 214 | LYS | 1 | 0.867 | 0.921 | 32.296 | -7.615 | -7.615 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 215 | LYS | 1 | 0.844 | 0.910 | 35.216 | -6.948 | -6.948 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 216 | VAL | 0 | -0.035 | -0.015 | 36.521 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 217 | GLU | -1 | -0.784 | -0.881 | 39.050 | 6.876 | 6.876 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | H | 218 | PRO | 0 | -0.040 | -0.018 | 42.332 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | L | 2 | ILE | 0 | -0.032 | 0.010 | 32.817 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | L | 3 | GLN | 0 | -0.031 | -0.022 | 34.035 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | L | 4 | LEU | 0 | 0.032 | -0.001 | 28.843 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | L | 5 | THR | 0 | -0.006 | -0.002 | 32.927 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | L | 6 | GLN | 0 | 0.007 | -0.013 | 28.619 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | L | 7 | SER | 0 | -0.028 | 0.011 | 33.348 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | L | 8 | PRO | 0 | 0.052 | 0.024 | 34.416 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | L | 9 | SER | 0 | 0.048 | 0.013 | 33.941 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | L | 10 | SER | 0 | -0.018 | -0.015 | 33.431 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | L | 11 | LEU | 0 | -0.026 | -0.009 | 32.338 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | L | 12 | SER | 0 | -0.022 | -0.031 | 33.187 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | L | 13 | ALA | 0 | -0.029 | -0.017 | 33.140 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | L | 14 | SER | 0 | 0.008 | -0.009 | 33.467 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | L | 15 | VAL | 0 | -0.016 | -0.016 | 29.910 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | L | 16 | GLY | 0 | 0.002 | 0.011 | 31.110 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | L | 17 | ASP | -1 | -0.802 | -0.867 | 32.588 | 8.387 | 8.387 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | L | 18 | ARG | 1 | 0.891 | 0.954 | 31.839 | -9.021 | -9.021 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | L | 19 | VAL | 0 | -0.007 | -0.007 | 30.304 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | L | 20 | THR | 0 | -0.072 | -0.051 | 31.010 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | L | 21 | ILE | 0 | 0.008 | 0.006 | 28.453 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | L | 22 | THR | 0 | -0.002 | 0.008 | 31.261 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | L | 88 | CYS | 0 | -0.034 | -0.014 | 24.306 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | L | 24 | ARG | 1 | 0.839 | 0.909 | 32.156 | -7.992 | -7.992 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | L | 25 | ALA | 0 | 0.026 | 0.007 | 32.393 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | L | 26 | SER | 0 | -0.013 | -0.018 | 34.403 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | L | 27 | GLN | 0 | -0.006 | -0.026 | 36.531 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | L | 28 | GLY | 0 | 0.050 | 0.041 | 35.961 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | L | 29 | ILE | 0 | -0.044 | -0.031 | 29.477 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | L | 30 | SER | 0 | -0.017 | -0.005 | 30.745 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | L | 31 | SER | 0 | 0.086 | 0.036 | 27.975 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | L | 32 | TYR | 0 | -0.017 | 0.009 | 25.607 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | L | 33 | LEU | 0 | -0.017 | 0.002 | 25.925 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | L | 34 | ALA | 0 | 0.023 | 0.010 | 20.861 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | L | 35 | TRP | 0 | 0.005 | -0.003 | 21.798 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | L | 36 | TYR | 0 | 0.008 | -0.012 | 17.592 | 1.040 | 1.040 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | L | 37 | GLN | 0 | -0.016 | -0.006 | 19.373 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | L | 38 | GLN | 0 | 0.026 | 0.006 | 19.280 | 1.196 | 1.196 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | L | 39 | LYS | 1 | 0.844 | 0.916 | 18.616 | -13.670 | -13.670 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | L | 40 | PRO | 0 | 0.048 | 0.022 | 21.126 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | L | 41 | GLY | 0 | 0.013 | 0.013 | 21.645 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | L | 42 | LYS | 1 | 0.840 | 0.905 | 15.995 | -14.155 | -14.155 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | L | 43 | ALA | 0 | 0.092 | 0.064 | 15.128 | -0.724 | -0.724 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | L | 44 | PRO | 0 | -0.067 | -0.031 | 17.199 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | L | 45 | LYS | 1 | 0.940 | 0.981 | 12.902 | -18.925 | -18.925 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | L | 46 | LEU | 0 | -0.005 | 0.009 | 14.783 | -1.005 | -1.005 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | L | 47 | LEU | 0 | -0.043 | -0.018 | 16.107 | 0.605 | 0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | L | 48 | ILE | 0 | -0.008 | 0.001 | 18.717 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | L | 49 | TYR | 0 | 0.021 | 0.014 | 16.490 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | L | 50 | ALA | 0 | 0.026 | 0.008 | 20.917 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | L | 51 | ALA | 0 | 0.000 | 0.004 | 23.829 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | L | 52 | SER | 0 | -0.029 | -0.023 | 25.036 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | L | 53 | THR | 0 | -0.037 | -0.006 | 19.076 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | L | 54 | LEU | 0 | -0.019 | -0.008 | 18.548 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | L | 55 | GLN | 0 | 0.040 | 0.019 | 12.052 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | L | 56 | SER | 0 | 0.018 | -0.005 | 11.084 | -0.582 | -0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | L | 57 | GLY | 0 | -0.008 | -0.001 | 11.959 | 1.629 | 1.629 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | L | 58 | VAL | 0 | -0.080 | -0.024 | 13.401 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | L | 59 | PRO | 0 | 0.026 | 0.008 | 16.438 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | L | 60 | SER | 0 | 0.056 | 0.025 | 19.083 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | L | 61 | ARG | 1 | 0.762 | 0.869 | 21.993 | -13.152 | -13.152 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | L | 62 | PHE | 0 | -0.024 | -0.006 | 20.742 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | L | 63 | SER | 0 | 0.010 | 0.000 | 23.547 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | L | 64 | GLY | 0 | 0.018 | 0.004 | 25.412 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | L | 65 | SER | 0 | -0.020 | -0.008 | 26.667 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | L | 66 | GLY | 0 | 0.067 | 0.024 | 29.619 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | L | 67 | SER | 0 | -0.005 | -0.023 | 30.892 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | L | 68 | GLY | 0 | 0.003 | 0.015 | 32.893 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | L | 69 | THR | 0 | 0.009 | -0.024 | 34.341 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | L | 70 | ASP | -1 | -0.813 | -0.850 | 35.083 | 8.245 | 8.245 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | L | 71 | PHE | 0 | 0.002 | 0.004 | 29.669 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | L | 72 | THR | 0 | 0.007 | -0.007 | 30.722 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | L | 73 | LEU | 0 | 0.005 | 0.026 | 24.538 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | L | 74 | THR | 0 | 0.007 | -0.006 | 27.549 | -0.652 | -0.652 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | L | 75 | ILE | 0 | 0.004 | 0.008 | 25.500 | 0.481 | 0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | L | 76 | SER | 0 | -0.013 | -0.021 | 27.564 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | L | 77 | SER | 0 | 0.040 | 0.007 | 28.417 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | L | 78 | LEU | 0 | -0.060 | -0.001 | 27.607 | 0.446 | 0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | L | 79 | GLN | 0 | -0.021 | -0.026 | 24.975 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | L | 80 | PRO | 0 | 0.029 | 0.016 | 26.373 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | L | 81 | GLU | -1 | -0.781 | -0.875 | 20.814 | 12.461 | 12.461 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | L | 82 | ASP | -1 | -0.758 | -0.847 | 22.480 | 12.855 | 12.855 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | L | 83 | PHE | 0 | 0.000 | 0.029 | 24.410 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | L | 84 | ALA | 0 | -0.005 | -0.017 | 23.025 | 0.529 | 0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | L | 85 | THR | 0 | -0.002 | 0.006 | 24.747 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | L | 86 | TYR | 0 | -0.015 | -0.018 | 23.331 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | L | 87 | TYR | 0 | 0.018 | 0.005 | 23.531 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | L | 89 | GLN | 0 | 0.047 | 0.025 | 21.487 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | L | 90 | GLN | 0 | -0.002 | 0.000 | 25.252 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | L | 91 | LEU | 0 | -0.007 | 0.016 | 21.168 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | L | 92 | ASN | 0 | 0.008 | -0.001 | 24.569 | -0.877 | -0.877 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | L | 93 | SER | 0 | -0.017 | 0.006 | 26.562 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | L | 94 | TYR | 0 | 0.004 | -0.035 | 21.377 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | L | 95 | PRO | 0 | 0.042 | 0.018 | 26.281 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | L | 96 | PRO | 0 | -0.014 | 0.023 | 23.955 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | L | 97 | ALA | 0 | -0.010 | -0.016 | 26.369 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | L | 98 | PHE | 0 | 0.047 | 0.009 | 21.746 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | L | 99 | GLY | 0 | -0.001 | 0.007 | 27.520 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | L | 100 | GLY | 0 | -0.057 | -0.035 | 29.107 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | L | 101 | GLY | 0 | 0.001 | 0.000 | 28.911 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | L | 102 | THR | 0 | -0.031 | -0.026 | 28.896 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | L | 103 | LYS | 1 | 0.801 | 0.906 | 28.640 | -9.769 | -9.769 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | L | 104 | VAL | 0 | 0.004 | 0.008 | 27.869 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | L | 105 | GLU | -1 | -0.811 | -0.846 | 29.054 | 9.028 | 9.028 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | L | 106 | ILE | 0 | -0.007 | -0.012 | 27.901 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | L | 107 | LYS | 1 | 0.933 | 0.964 | 31.919 | -8.150 | -8.150 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | L | 108 | ARG | 1 | 0.835 | 0.913 | 34.646 | -8.363 | -8.363 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | L | 109 | THR | 0 | 0.005 | -0.004 | 36.255 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | L | 110 | VAL | 0 | -0.007 | 0.001 | 38.937 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | L | 111 | ALA | 0 | -0.026 | -0.007 | 38.859 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | L | 112 | ALA | 0 | 0.045 | 0.021 | 40.899 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | L | 113 | PRO | 0 | -0.030 | 0.008 | 40.949 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | L | 114 | SER | 0 | 0.014 | 0.003 | 40.521 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | L | 115 | VAL | 0 | -0.004 | -0.003 | 41.495 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | L | 116 | PHE | 0 | -0.022 | -0.010 | 40.407 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | L | 117 | ILE | 0 | -0.017 | -0.012 | 43.877 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | L | 118 | PHE | 0 | -0.006 | 0.001 | 39.934 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | L | 119 | PRO | 0 | 0.005 | 0.009 | 44.771 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | L | 120 | PRO | 0 | 0.001 | -0.004 | 45.395 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | L | 121 | SER | 0 | -0.009 | 0.014 | 43.239 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | L | 122 | ASP | -1 | -0.762 | -0.895 | 45.357 | 5.941 | 5.941 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | L | 123 | GLU | -1 | -0.853 | -0.930 | 42.907 | 6.780 | 6.780 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | L | 124 | GLN | 0 | -0.036 | -0.009 | 42.558 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | L | 125 | LEU | 0 | -0.012 | 0.001 | 45.458 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | L | 126 | LYS | 1 | 0.839 | 0.900 | 48.109 | -6.230 | -6.230 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | L | 127 | SER | 0 | -0.004 | 0.008 | 46.020 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | L | 128 | GLY | 0 | 0.006 | 0.001 | 48.196 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | L | 129 | THR | 0 | -0.031 | -0.007 | 45.868 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | L | 130 | ALA | 0 | 0.001 | -0.004 | 47.525 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | L | 131 | SER | 0 | 0.002 | -0.005 | 43.182 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | L | 132 | VAL | 0 | -0.016 | 0.014 | 44.384 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | L | 133 | VAL | 0 | 0.023 | 0.012 | 39.767 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | L | 194 | CYS | 0 | -0.075 | -0.029 | 42.648 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | L | 135 | LEU | 0 | -0.003 | 0.009 | 36.569 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | L | 136 | LEU | 0 | 0.024 | 0.010 | 39.850 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | L | 137 | ASN | 0 | 0.008 | -0.016 | 35.471 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | L | 138 | ASN | 0 | 0.015 | -0.010 | 32.606 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | L | 139 | PHE | 0 | -0.005 | 0.011 | 36.389 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | L | 140 | TYR | 0 | 0.020 | -0.023 | 34.911 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | L | 141 | PRO | 0 | 0.050 | 0.022 | 38.685 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | L | 142 | ARG | 1 | 0.894 | 0.956 | 33.544 | -8.687 | -8.687 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | L | 143 | GLU | -1 | -0.887 | -0.956 | 38.739 | 7.471 | 7.471 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | L | 144 | ALA | 0 | -0.010 | 0.000 | 42.429 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | L | 145 | LYS | 1 | 0.876 | 0.943 | 44.079 | -6.240 | -6.240 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | L | 146 | VAL | 0 | 0.049 | 0.023 | 43.754 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | L | 147 | GLN | 0 | -0.073 | -0.052 | 46.973 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | L | 148 | TRP | 0 | 0.020 | 0.006 | 44.883 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | L | 149 | LYS | 1 | 0.847 | 0.927 | 50.805 | -5.626 | -5.626 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | L | 150 | VAL | 0 | 0.018 | 0.006 | 53.492 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | L | 151 | ASP | -1 | -0.775 | -0.881 | 55.911 | 5.020 | 5.020 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | L | 152 | ASN | 0 | -0.006 | -0.019 | 58.496 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | L | 153 | ALA | 0 | 0.013 | 0.026 | 58.643 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | L | 154 | LEU | 0 | 0.025 | 0.006 | 55.349 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | L | 155 | GLN | 0 | -0.029 | -0.004 | 51.839 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | L | 156 | SER | 0 | -0.010 | -0.028 | 51.284 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | L | 157 | GLY | 0 | -0.004 | 0.010 | 49.971 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | L | 158 | ASN | 0 | 0.015 | 0.005 | 48.795 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | L | 159 | SER | 0 | -0.006 | -0.003 | 45.975 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | L | 160 | GLN | 0 | -0.038 | -0.017 | 40.382 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | L | 161 | GLU | -1 | -0.854 | -0.918 | 40.133 | 6.955 | 6.955 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | L | 162 | SER | 0 | -0.004 | 0.015 | 34.841 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | L | 163 | VAL | 0 | -0.033 | -0.020 | 35.011 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | L | 164 | THR | 0 | -0.001 | -0.007 | 30.379 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | L | 165 | GLU | -1 | -0.809 | -0.903 | 27.390 | 10.141 | 10.141 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | L | 166 | GLN | 0 | 0.006 | 0.011 | 29.078 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | L | 167 | ASP | -1 | -0.764 | -0.868 | 27.712 | 10.905 | 10.905 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | L | 168 | SER | 0 | -0.042 | -0.036 | 23.363 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | L | 169 | LYS | 1 | 0.805 | 0.877 | 24.135 | -11.351 | -11.351 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | L | 170 | ASP | -1 | -0.717 | -0.823 | 27.303 | 8.749 | 8.749 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | L | 171 | SER | 0 | -0.067 | -0.026 | 29.038 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | L | 172 | THR | 0 | -0.083 | -0.047 | 31.074 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | L | 173 | TYR | 0 | -0.066 | -0.063 | 32.275 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | L | 174 | SER | 0 | 0.059 | 0.030 | 33.789 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | L | 175 | LEU | 0 | -0.015 | 0.000 | 35.232 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | L | 176 | SER | 0 | 0.016 | 0.017 | 37.012 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | L | 177 | SER | 0 | -0.010 | -0.031 | 38.735 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | L | 178 | THR | 0 | -0.010 | -0.018 | 40.522 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | L | 179 | LEU | 0 | -0.023 | 0.012 | 43.101 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | L | 180 | THR | 0 | 0.000 | -0.023 | 44.802 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | L | 181 | LEU | 0 | -0.039 | -0.010 | 47.175 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | L | 182 | SER | 0 | 0.028 | -0.010 | 49.678 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | L | 183 | LYS | 1 | 0.841 | 0.890 | 51.781 | -5.558 | -5.558 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | L | 184 | ALA | 0 | 0.054 | 0.024 | 52.947 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | L | 185 | ASP | -1 | -0.818 | -0.871 | 54.283 | 5.415 | 5.415 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | L | 186 | TYR | 0 | 0.014 | 0.000 | 51.070 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | L | 187 | GLU | -1 | -0.818 | -0.899 | 54.307 | 5.420 | 5.420 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | L | 188 | LYS | 1 | 0.846 | 0.921 | 57.359 | -5.209 | -5.209 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | L | 189 | HIS | 1 | 0.849 | 0.935 | 56.731 | -5.332 | -5.332 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | L | 190 | LYS | 1 | 0.880 | 0.931 | 58.089 | -4.943 | -4.943 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | L | 191 | VAL | 0 | 0.019 | 0.022 | 56.069 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | L | 192 | TYR | 0 | -0.020 | -0.023 | 51.407 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | L | 193 | ALA | 0 | 0.024 | 0.000 | 51.779 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | L | 195 | GLU | -1 | -0.804 | -0.884 | 49.444 | 5.652 | 5.652 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | L | 196 | VAL | 0 | 0.022 | -0.007 | 45.338 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | L | 197 | THR | 0 | 0.008 | 0.004 | 48.154 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | L | 198 | HIS | 0 | 0.016 | -0.011 | 41.531 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | L | 199 | GLN | 0 | 0.056 | 0.028 | 44.768 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 200 | GLY | 0 | -0.016 | -0.012 | 45.054 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 201 | LEU | 0 | -0.079 | -0.033 | 45.992 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 202 | SER | 0 | 0.014 | 0.000 | 49.115 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 203 | SER | 0 | 0.015 | 0.015 | 52.588 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 204 | PRO | 0 | -0.021 | -0.008 | 51.457 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 205 | VAL | 0 | 0.006 | 0.019 | 48.038 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 206 | THR | 0 | 0.028 | -0.001 | 50.648 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 207 | LYS | 1 | 0.836 | 0.923 | 46.488 | -6.482 | -6.482 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 208 | SER | 0 | 0.052 | 0.007 | 50.131 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 209 | PHE | 0 | -0.051 | -0.012 | 48.870 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 210 | ASN | 0 | 0.059 | 0.021 | 52.823 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 211 | ARG | 1 | 0.872 | 0.950 | 53.917 | -5.284 | -5.284 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 212 | GLY | 0 | -0.021 | -0.003 | 54.264 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | R | 333 | THR | 0 | 0.017 | -0.002 | 63.842 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | R | 334 | ASN | 0 | -0.034 | -0.035 | 61.631 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | R | 335 | LEU | 0 | 0.048 | 0.046 | 58.190 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | R | 361 | CYS | 0 | -0.030 | 0.007 | 54.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | R | 337 | PRO | 0 | 0.055 | 0.041 | 53.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | R | 338 | PHE | 0 | 0.029 | -0.009 | 51.669 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | R | 339 | GLY | 0 | 0.007 | 0.006 | 51.399 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | R | 340 | GLU | -1 | -0.858 | -0.933 | 50.404 | 6.246 | 6.246 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | R | 341 | VAL | 0 | -0.072 | -0.037 | 45.550 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | R | 342 | PHE | 0 | 0.008 | -0.003 | 46.688 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | R | 343 | ASN | 0 | -0.012 | -0.005 | 48.312 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | R | 344 | ALA | 0 | 0.019 | 0.031 | 46.085 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | R | 345 | THR | 0 | 0.025 | 0.002 | 46.017 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | R | 346 | ARG | 1 | 0.925 | 0.959 | 40.464 | -7.714 | -7.714 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | R | 347 | PHE | 0 | 0.041 | 0.024 | 40.329 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | R | 348 | ALA | 0 | -0.022 | -0.001 | 36.957 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | R | 349 | SER | 0 | 0.034 | 0.007 | 32.177 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | R | 350 | VAL | 0 | 0.024 | 0.022 | 31.177 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | R | 351 | TYR | 0 | 0.020 | 0.007 | 28.630 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | R | 352 | ALA | 0 | -0.064 | -0.029 | 30.655 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | R | 353 | TRP | 0 | -0.074 | -0.017 | 33.449 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | R | 354 | ASN | 0 | 0.013 | 0.010 | 36.401 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | R | 355 | ARG | 1 | 0.856 | 0.902 | 39.772 | -7.651 | -7.651 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | R | 356 | LYS | 1 | 0.852 | 0.928 | 42.262 | -6.490 | -6.490 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | R | 357 | ARG | 1 | 0.882 | 0.939 | 46.016 | -6.582 | -6.582 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | R | 358 | ILE | 0 | -0.045 | -0.026 | 47.992 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | R | 359 | SER | 0 | 0.024 | -0.007 | 51.586 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | R | 360 | ASN | 0 | -0.018 | -0.019 | 54.597 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | R | 362 | VAL | 0 | 0.037 | 0.004 | 58.786 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | R | 363 | ALA | 0 | -0.034 | -0.007 | 57.246 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | R | 364 | ASP | -1 | -0.823 | -0.885 | 58.727 | 5.466 | 5.466 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | R | 365 | TYR | 0 | 0.022 | -0.016 | 53.266 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | R | 366 | SER | 0 | -0.034 | -0.037 | 56.263 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | R | 367 | VAL | 0 | 0.012 | 0.004 | 57.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | R | 368 | LEU | 0 | -0.027 | -0.008 | 52.418 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | R | 369 | TYR | 0 | -0.015 | -0.021 | 53.341 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | R | 370 | ASN | 0 | -0.075 | -0.053 | 55.358 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | R | 371 | SER | 0 | 0.016 | 0.034 | 53.562 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | R | 372 | ALA | 0 | -0.001 | -0.006 | 54.956 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | R | 373 | SER | 0 | -0.056 | -0.024 | 52.800 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | R | 374 | PHE | 0 | -0.029 | -0.015 | 49.059 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | R | 375 | SER | 0 | 0.036 | 0.011 | 45.773 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | R | 376 | THR | 0 | -0.056 | -0.029 | 44.095 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | R | 377 | PHE | 0 | 0.064 | 0.025 | 47.047 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | R | 378 | LYS | 1 | 0.845 | 0.935 | 45.860 | -6.992 | -6.992 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | R | 432 | CYS | 0 | -0.090 | -0.026 | 47.004 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | R | 380 | TYR | 0 | 0.011 | -0.023 | 42.858 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | R | 381 | GLY | 0 | 0.061 | 0.059 | 48.081 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | R | 382 | VAL | 0 | 0.006 | 0.000 | 50.687 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | R | 383 | SER | 0 | -0.014 | -0.008 | 53.372 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | R | 384 | PRO | 0 | 0.077 | 0.016 | 53.916 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | R | 385 | THR | 0 | 0.000 | 0.012 | 55.718 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | R | 386 | LYS | 1 | 0.839 | 0.891 | 58.391 | -5.243 | -5.243 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | R | 387 | LEU | 0 | 0.004 | 0.019 | 52.367 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | R | 388 | ASN | 0 | -0.048 | -0.013 | 56.864 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | R | 389 | ASP | -1 | -0.812 | -0.886 | 59.775 | 4.977 | 4.977 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | R | 390 | LEU | 0 | -0.011 | 0.016 | 56.798 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | R | 525 | CYS | 0 | -0.048 | -0.030 | 57.603 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | R | 392 | PHE | 0 | 0.015 | -0.004 | 53.590 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | R | 393 | THR | 0 | -0.001 | 0.008 | 53.048 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | R | 394 | ASN | 0 | -0.013 | -0.034 | 50.459 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | R | 395 | VAL | 0 | -0.017 | 0.016 | 49.638 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | R | 396 | TYR | 0 | -0.059 | -0.050 | 45.035 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | R | 397 | ALA | 0 | 0.024 | 0.012 | 46.116 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | R | 398 | ASP | -1 | -0.715 | -0.805 | 40.361 | 7.871 | 7.871 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | R | 399 | SER | 0 | -0.024 | -0.018 | 41.127 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | R | 400 | PHE | 0 | -0.031 | -0.024 | 36.557 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | R | 401 | VAL | 0 | 0.019 | 0.015 | 36.913 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | R | 402 | ILE | 0 | -0.022 | -0.005 | 33.604 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | R | 403 | ARG | 1 | 0.807 | 0.894 | 28.994 | -10.613 | -10.613 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | R | 404 | GLY | 0 | 0.041 | 0.015 | 35.162 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | R | 405 | ASP | -1 | -0.880 | -0.941 | 32.803 | 9.632 | 9.632 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | R | 406 | GLU | -1 | -0.834 | -0.907 | 30.154 | 10.693 | 10.693 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | R | 407 | VAL | 0 | 0.011 | 0.008 | 34.616 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | R | 408 | ARG | 1 | 0.863 | 0.926 | 35.090 | -8.961 | -8.961 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | R | 409 | GLN | 0 | -0.007 | -0.004 | 30.826 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | R | 410 | ILE | 0 | -0.047 | -0.011 | 35.493 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | R | 411 | ALA | 0 | 0.005 | -0.013 | 37.662 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | R | 412 | PRO | 0 | -0.004 | 0.019 | 37.985 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | R | 413 | GLY | 0 | 0.010 | -0.003 | 37.616 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | R | 414 | GLN | 0 | -0.071 | -0.020 | 35.111 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | R | 415 | THR | 0 | 0.040 | 0.015 | 29.731 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | R | 416 | GLY | 0 | -0.001 | -0.005 | 28.709 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | R | 417 | LYS | 1 | 0.839 | 0.922 | 24.265 | -12.566 | -12.566 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | R | 418 | ILE | 0 | -0.022 | -0.002 | 27.278 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | R | 419 | ALA | 0 | 0.025 | 0.019 | 30.339 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | R | 420 | ASP | -1 | -0.774 | -0.865 | 26.635 | 11.283 | 11.283 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | R | 421 | TYR | 0 | -0.014 | -0.022 | 21.962 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | R | 422 | ASN | 0 | -0.044 | -0.021 | 26.990 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | R | 423 | TYR | 0 | 0.005 | -0.044 | 30.047 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | R | 424 | LYS | 1 | 0.878 | 0.974 | 32.330 | -9.331 | -9.331 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | R | 425 | LEU | 0 | 0.008 | 0.008 | 34.202 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | R | 426 | PRO | 0 | 0.001 | -0.004 | 37.205 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | R | 427 | ASP | -1 | -0.793 | -0.914 | 37.190 | 8.700 | 8.700 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | R | 428 | ASP | -1 | -0.920 | -0.954 | 40.220 | 7.540 | 7.540 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | R | 429 | PHE | 0 | -0.059 | -0.028 | 42.001 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | R | 430 | THR | 0 | 0.047 | 0.028 | 43.943 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | R | 431 | GLY | 0 | 0.021 | -0.011 | 46.734 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | R | 433 | VAL | 0 | 0.025 | 0.027 | 41.896 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | R | 434 | ILE | 0 | -0.006 | -0.001 | 44.838 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | R | 435 | ALA | 0 | 0.010 | 0.000 | 42.551 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | R | 436 | TRP | 0 | 0.010 | 0.002 | 44.124 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | R | 437 | ASN | 0 | -0.015 | 0.007 | 42.004 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | R | 438 | SER | 0 | -0.018 | -0.048 | 41.524 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | R | 439 | ASN | 0 | -0.011 | -0.020 | 40.511 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | R | 440 | ASN | 0 | -0.003 | -0.008 | 42.401 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | R | 441 | LEU | 0 | -0.006 | 0.004 | 43.895 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | R | 442 | ASP | -1 | -0.750 | -0.792 | 39.109 | 7.884 | 7.884 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | R | 443 | SER | 0 | 0.012 | 0.006 | 38.308 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | R | 444 | LYS | 1 | 0.877 | 0.952 | 36.706 | -8.767 | -8.767 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | R | 445 | VAL | 0 | 0.035 | 0.006 | 37.896 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | R | 446 | GLY | 0 | 0.027 | 0.023 | 35.461 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | R | 447 | GLY | 0 | 0.005 | 0.000 | 33.452 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | R | 448 | ASN | 0 | -0.065 | -0.065 | 34.502 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | R | 449 | TYR | 0 | -0.021 | 0.011 | 28.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | R | 450 | ASN | 0 | -0.038 | -0.025 | 32.001 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | R | 451 | TYR | 0 | -0.067 | -0.048 | 33.176 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | R | 452 | LEU | 0 | -0.002 | -0.002 | 27.849 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | R | 453 | TYR | 0 | 0.002 | -0.005 | 25.088 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | R | 454 | ARG | 1 | 0.810 | 0.879 | 23.063 | -12.318 | -12.318 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | R | 455 | LEU | 0 | -0.024 | 0.007 | 20.136 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | R | 456 | PHE | 0 | 0.011 | 0.006 | 17.156 | 0.431 | 0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | R | 457 | ARG | 1 | 0.801 | 0.881 | 20.221 | -12.427 | -12.427 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | R | 458 | LYS | 1 | 0.924 | 0.976 | 13.732 | -20.835 | -20.835 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | R | 459 | SER | 0 | -0.025 | 0.004 | 19.930 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | R | 460 | ASN | 0 | -0.012 | -0.015 | 23.512 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | R | 461 | LEU | 0 | -0.058 | -0.012 | 26.622 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | R | 462 | LYS | 1 | 0.947 | 0.972 | 29.564 | -9.732 | -9.732 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | R | 463 | PRO | 0 | 0.027 | -0.010 | 32.774 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | R | 464 | PHE | 0 | -0.033 | -0.013 | 36.103 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | R | 465 | GLU | -1 | -0.787 | -0.863 | 29.401 | 10.717 | 10.717 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | R | 466 | ARG | 1 | 0.895 | 0.938 | 32.399 | -9.018 | -9.018 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | R | 467 | ASP | -1 | -0.764 | -0.845 | 25.941 | 12.262 | 12.262 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | R | 468 | ILE | 0 | 0.004 | -0.005 | 28.527 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | R | 469 | SER | 0 | 0.004 | -0.001 | 24.186 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | R | 470 | THR | 0 | 0.000 | -0.013 | 23.645 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | R | 471 | GLU | -1 | -0.925 | -0.953 | 20.016 | 14.308 | 14.308 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | R | 472 | ILE | 0 | -0.049 | -0.021 | 14.554 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | R | 473 | TYR | 0 | -0.038 | -0.033 | 15.140 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | R | 474 | GLN | 0 | 0.005 | -0.007 | 9.872 | -0.788 | -0.788 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | R | 475 | ALA | 0 | -0.029 | -0.030 | 11.136 | -1.168 | -1.168 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | R | 476 | GLY | 0 | 0.024 | 0.010 | 7.046 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | R | 477 | SER | 0 | -0.002 | -0.002 | 5.153 | -3.533 | -3.540 | -0.001 | -0.001 | 0.009 | 0.000 |
569 | R | 478 | THR | 0 | -0.020 | -0.011 | 3.774 | -4.948 | -4.652 | 0.000 | -0.126 | -0.170 | 0.001 |
570 | R | 479 | PRO | 0 | 0.013 | 0.008 | 6.800 | -1.588 | -1.588 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | R | 488 | CYS | 0 | 0.027 | 0.039 | 9.424 | 1.749 | 1.749 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | R | 481 | ASN | 0 | -0.036 | -0.028 | 11.526 | -0.683 | -0.683 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | R | 482 | GLY | 0 | 0.032 | 0.007 | 14.437 | -0.939 | -0.939 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | R | 483 | VAL | 0 | -0.008 | 0.015 | 13.938 | -0.908 | -0.908 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | R | 484 | GLU | -1 | -0.782 | -0.884 | 13.927 | 17.511 | 17.511 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | R | 485 | GLY | 0 | 0.022 | -0.004 | 12.259 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | R | 486 | PHE | 0 | 0.010 | 0.010 | 5.967 | -0.519 | -0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | R | 487 | ASN | 0 | -0.004 | -0.009 | 5.613 | -2.162 | -2.162 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | R | 489 | TYR | 0 | 0.100 | 0.062 | 11.420 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | R | 490 | PHE | 0 | 0.060 | 0.020 | 15.519 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | R | 491 | PRO | 0 | -0.019 | 0.001 | 19.115 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | R | 492 | LEU | 0 | -0.004 | 0.004 | 20.659 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | R | 493 | GLN | 0 | 0.010 | 0.001 | 20.313 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | R | 494 | SER | 0 | -0.003 | -0.021 | 24.688 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | R | 495 | TYR | 0 | -0.005 | -0.022 | 27.831 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | R | 496 | GLY | 0 | 0.016 | 0.024 | 30.314 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | R | 497 | PHE | 0 | -0.020 | -0.005 | 31.194 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | R | 498 | GLN | 0 | 0.035 | 0.021 | 33.285 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | R | 499 | PRO | 0 | -0.001 | 0.002 | 36.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | R | 500 | THR | 0 | 0.021 | 0.008 | 37.976 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | R | 501 | ASN | 0 | -0.037 | -0.025 | 33.756 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | R | 502 | GLY | 0 | 0.078 | 0.048 | 37.100 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | R | 503 | VAL | 0 | 0.021 | -0.004 | 38.104 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | R | 504 | GLY | 0 | 0.029 | 0.027 | 37.436 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | R | 505 | TYR | 0 | 0.007 | -0.030 | 32.446 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | R | 506 | GLN | 0 | -0.015 | 0.005 | 35.258 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | R | 507 | PRO | 0 | -0.003 | 0.007 | 37.437 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | R | 508 | TYR | 0 | 0.015 | 0.005 | 38.324 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | R | 509 | ARG | 1 | 0.750 | 0.867 | 39.483 | -7.183 | -7.183 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | R | 510 | VAL | 0 | 0.000 | -0.008 | 39.179 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | R | 511 | VAL | 0 | 0.006 | -0.008 | 41.936 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | R | 512 | VAL | 0 | -0.026 | -0.015 | 40.810 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | R | 513 | LEU | 0 | 0.000 | 0.022 | 44.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | R | 514 | SER | 0 | 0.017 | -0.004 | 44.500 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | R | 515 | PHE | 0 | 0.023 | 0.001 | 46.603 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | R | 516 | GLU | -1 | -0.781 | -0.870 | 47.887 | 6.749 | 6.749 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | R | 517 | LEU | 0 | -0.070 | -0.042 | 50.212 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | R | 518 | LEU | 0 | 0.084 | 0.043 | 53.579 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | R | 519 | HIS | 0 | 0.019 | 0.018 | 54.134 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | R | 520 | ALA | 0 | 0.056 | 0.023 | 56.029 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | R | 521 | PRO | 0 | -0.038 | -0.003 | 56.642 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | R | 522 | ALA | 0 | 0.005 | 0.000 | 57.299 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | R | 523 | THR | 0 | -0.057 | -0.020 | 55.348 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | R | 524 | VAL | 0 | 0.000 | 0.004 | 54.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | R | 526 | GLY | 0 | 0.047 | 0.030 | 59.420 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 2 | VAL | 0 | -0.048 | -0.023 | 26.031 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 3 | GLN | 0 | -0.020 | -0.008 | 29.494 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 4 | LEU | 0 | 0.008 | -0.008 | 30.628 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 5 | LEU | 0 | 0.047 | 0.041 | 34.310 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 6 | GLU | -1 | -0.761 | -0.894 | 37.362 | 8.465 | 8.465 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 7 | SER | 0 | -0.060 | -0.042 | 40.424 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 8 | GLY | 0 | 0.045 | 0.030 | 44.081 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 9 | GLY | 0 | 0.029 | 0.017 | 46.014 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 10 | GLY | 0 | -0.026 | -0.014 | 47.675 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 11 | VAL | 0 | -0.017 | 0.002 | 50.857 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 12 | VAL | 0 | -0.024 | -0.015 | 51.952 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 13 | GLN | 0 | 0.078 | 0.031 | 54.708 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 14 | PRO | 0 | -0.002 | -0.008 | 55.282 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 15 | GLY | 0 | -0.006 | 0.007 | 55.087 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 16 | GLY | 0 | -0.007 | 0.007 | 55.151 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 17 | SER | 0 | -0.023 | -0.026 | 51.414 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 18 | LEU | 0 | -0.007 | 0.004 | 48.165 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 19 | ARG | 1 | 0.939 | 0.964 | 45.248 | -6.789 | -6.789 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 20 | LEU | 0 | -0.004 | 0.025 | 42.259 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 21 | SER | 0 | -0.026 | -0.030 | 41.437 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 96 | CYS | 0 | -0.066 | -0.024 | 34.823 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 23 | ALA | 0 | 0.004 | 0.022 | 37.627 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 24 | ALA | 0 | -0.004 | -0.002 | 32.633 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 25 | SER | 0 | -0.008 | -0.011 | 33.227 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 26 | GLY | 0 | 0.066 | 0.023 | 30.449 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 27 | PHE | 0 | -0.007 | -0.014 | 26.661 | 0.505 | 0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 28 | ALA | 0 | 0.046 | 0.011 | 26.651 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 29 | PHE | 0 | 0.002 | 0.021 | 28.548 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 30 | THR | 0 | -0.027 | -0.027 | 30.054 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 31 | THR | 0 | 0.031 | 0.024 | 25.466 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 32 | TYR | 0 | 0.032 | 0.012 | 21.575 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 33 | ALA | 0 | 0.035 | 0.043 | 26.608 | -0.532 | -0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 34 | MET | 0 | -0.017 | 0.023 | 28.202 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 35 | ASN | 0 | -0.027 | -0.035 | 29.746 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 36 | TRP | 0 | 0.011 | 0.003 | 32.638 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 37 | VAL | 0 | -0.011 | -0.005 | 32.312 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 38 | ARG | 1 | 0.750 | 0.841 | 35.785 | -7.628 | -7.628 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 39 | GLN | 0 | 0.036 | 0.026 | 36.949 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 40 | ALA | 0 | 0.052 | 0.037 | 39.724 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 41 | PRO | 0 | 0.017 | -0.015 | 42.290 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 42 | GLY | 0 | 0.012 | 0.017 | 41.937 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 43 | ARG | 1 | 0.895 | 0.943 | 40.917 | -7.479 | -7.479 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 44 | GLY | 0 | 0.031 | 0.028 | 37.329 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 45 | LEU | 0 | -0.037 | -0.013 | 32.127 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 46 | GLU | -1 | -0.812 | -0.870 | 35.896 | 7.821 | 7.821 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 47 | TRP | 0 | 0.006 | 0.001 | 32.330 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 48 | VAL | 0 | -0.024 | -0.003 | 35.318 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 49 | SER | 0 | 0.023 | -0.015 | 36.064 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 50 | ALA | 0 | -0.018 | 0.006 | 31.288 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 51 | ILE | 0 | -0.027 | -0.007 | 32.509 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 52 | SER | 0 | 0.037 | -0.005 | 29.533 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 53 | ASP | -1 | -0.840 | -0.899 | 28.185 | 10.483 | 10.483 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 54 | GLY | 0 | 0.015 | 0.006 | 30.279 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 55 | GLY | 0 | -0.025 | -0.002 | 33.466 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 56 | GLY | 0 | 0.006 | -0.001 | 34.485 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 57 | SER | 0 | 0.005 | 0.016 | 31.583 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 58 | ALA | 0 | -0.005 | -0.018 | 33.717 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 59 | TYR | 0 | -0.021 | -0.010 | 32.059 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 60 | TYR | 0 | 0.045 | 0.016 | 35.673 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 61 | ALA | 0 | 0.086 | 0.053 | 38.047 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 62 | ASP | -1 | -0.790 | -0.898 | 38.968 | 7.754 | 7.754 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 63 | SER | 0 | 0.012 | 0.011 | 42.059 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 64 | VAL | 0 | -0.038 | -0.016 | 41.163 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 65 | LYS | 1 | 0.839 | 0.908 | 39.290 | -8.110 | -8.110 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 66 | GLY | 0 | 0.006 | 0.016 | 43.792 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 67 | ARG | 1 | 0.761 | 0.855 | 46.037 | -6.930 | -6.930 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 68 | PHE | 0 | -0.020 | -0.020 | 42.289 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 69 | THR | 0 | 0.003 | -0.001 | 42.582 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 70 | ILE | 0 | -0.025 | 0.003 | 35.581 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 71 | SER | 0 | -0.014 | -0.015 | 39.111 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 72 | ARG | 1 | 0.810 | 0.880 | 30.951 | -9.718 | -9.718 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 73 | ASP | -1 | -0.770 | -0.849 | 38.451 | 7.660 | 7.660 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 74 | ASN | 0 | 0.027 | 0.001 | 33.377 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 75 | SER | 0 | -0.062 | -0.039 | 36.655 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 76 | LYS | 1 | 0.852 | 0.911 | 39.468 | -7.467 | -7.467 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 77 | ASN | 0 | -0.026 | 0.000 | 34.584 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 78 | THR | 0 | 0.004 | 0.002 | 36.639 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 79 | LEU | 0 | -0.021 | -0.003 | 34.551 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 80 | TYR | 0 | -0.011 | -0.031 | 37.654 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 81 | LEU | 0 | 0.037 | 0.022 | 39.613 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 82 | GLN | 0 | -0.063 | -0.022 | 41.957 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 83 | MET | 0 | -0.001 | 0.012 | 44.255 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 84 | ASN | 0 | 0.058 | 0.007 | 46.940 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 85 | SER | 0 | -0.029 | -0.007 | 50.045 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 86 | LEU | 0 | -0.026 | -0.001 | 47.817 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 87 | ARG | 1 | 0.873 | 0.901 | 48.492 | -6.667 | -6.667 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 88 | ALA | 0 | 0.058 | 0.029 | 50.755 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 89 | GLU | -1 | -0.817 | -0.896 | 47.101 | 6.509 | 6.509 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 90 | ASP | -1 | -0.757 | -0.836 | 46.176 | 7.008 | 7.008 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 91 | THR | 0 | -0.078 | -0.029 | 46.393 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 92 | ALA | 0 | 0.021 | -0.001 | 42.303 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 93 | VAL | 0 | 0.008 | 0.008 | 39.816 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 94 | TYR | 0 | -0.026 | -0.042 | 39.626 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 95 | TYR | 0 | 0.015 | -0.003 | 35.085 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 97 | ALA | 0 | 0.025 | 0.002 | 29.711 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 98 | LYS | 1 | 0.795 | 0.885 | 23.333 | -13.242 | -13.242 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 99 | THR | 0 | -0.013 | -0.022 | 24.739 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 100 | ARG | 1 | 0.764 | 0.862 | 15.359 | -18.126 | -18.126 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 101 | GLY | 0 | -0.002 | 0.006 | 19.376 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 102 | ARG | 1 | 0.764 | 0.869 | 19.876 | -15.303 | -15.303 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 103 | GLY | 0 | 0.039 | 0.026 | 19.231 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 104 | LEU | 0 | 0.006 | 0.009 | 19.484 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 105 | TYR | 0 | 0.035 | 0.003 | 18.598 | 0.864 | 0.864 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 106 | ASP | -1 | -0.797 | -0.861 | 18.215 | 17.333 | 17.333 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 107 | TYR | 0 | -0.022 | -0.020 | 20.918 | -0.775 | -0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 108 | VAL | 0 | 0.035 | 0.014 | 24.469 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 109 | TRP | 0 | -0.003 | 0.006 | 27.328 | -0.456 | -0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 110 | GLY | 0 | -0.011 | -0.003 | 24.685 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 111 | SER | 0 | 0.011 | -0.027 | 21.844 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 112 | LYS | 1 | 0.785 | 0.892 | 23.918 | -11.041 | -11.041 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 113 | ASP | -1 | -0.803 | -0.897 | 21.942 | 14.087 | 14.087 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 114 | TYR | 0 | -0.007 | -0.003 | 23.152 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 115 | TRP | 0 | 0.003 | -0.020 | 27.438 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 116 | GLY | 0 | 0.025 | 0.014 | 31.237 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 117 | GLN | 0 | -0.080 | -0.041 | 34.737 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 118 | GLY | 0 | 0.033 | 0.022 | 37.159 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 119 | THR | 0 | -0.062 | -0.037 | 39.270 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 120 | LEU | 0 | 0.011 | 0.011 | 42.775 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 121 | VAL | 0 | -0.003 | 0.006 | 45.371 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 122 | THR | 0 | -0.023 | -0.015 | 47.629 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 123 | VAL | 0 | 0.020 | 0.007 | 50.236 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 124 | SER | 0 | 0.008 | 0.003 | 52.984 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 125 | SER | 0 | 0.008 | -0.004 | 56.451 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 126 | ALA | 0 | -0.025 | 0.001 | 58.536 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 127 | SER | 0 | 0.033 | 0.022 | 58.793 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 128 | THR | 0 | -0.023 | -0.028 | 57.404 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 129 | LYS | 1 | 0.832 | 0.925 | 59.546 | -5.157 | -5.157 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 130 | GLY | 0 | 0.068 | 0.032 | 58.964 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 131 | PRO | 0 | -0.063 | -0.026 | 56.694 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 132 | SER | 0 | 0.000 | -0.004 | 59.764 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 133 | VAL | 0 | -0.019 | -0.009 | 58.833 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 134 | PHE | 0 | 0.011 | -0.001 | 61.118 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 135 | PRO | 0 | 0.024 | 0.014 | 61.188 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 136 | LEU | 0 | -0.041 | -0.018 | 58.029 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 137 | ALA | 0 | 0.033 | 0.012 | 60.877 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 138 | PRO | 0 | -0.015 | 0.002 | 60.950 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 146 | GLY | 0 | 0.085 | 0.047 | 58.911 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 147 | THR | 0 | -0.096 | -0.059 | 53.975 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 148 | ALA | 0 | 0.029 | 0.017 | 56.844 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 149 | ALA | 0 | 0.010 | 0.006 | 55.501 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 150 | LEU | 0 | 0.011 | 0.028 | 56.326 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 151 | GLY | 0 | 0.037 | -0.003 | 56.023 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 208 | CYS | 0 | -0.052 | 0.013 | 54.695 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 153 | LEU | 0 | 0.032 | 0.030 | 56.501 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 154 | VAL | 0 | -0.024 | -0.014 | 55.295 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 155 | LYS | 1 | 0.881 | 0.916 | 57.500 | -5.071 | -5.071 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 156 | ASP | -1 | -0.740 | -0.880 | 60.186 | 5.074 | 5.074 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 157 | TYR | 0 | -0.038 | -0.037 | 52.147 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 158 | PHE | 0 | 0.041 | 0.030 | 55.414 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 159 | PRO | 0 | 0.000 | 0.011 | 52.322 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 160 | GLU | -1 | -0.776 | -0.864 | 49.170 | 6.367 | 6.367 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 161 | PRO | 0 | -0.017 | -0.009 | 46.996 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 162 | VAL | 0 | -0.025 | -0.020 | 49.490 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 163 | THR | 0 | -0.049 | -0.013 | 47.030 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 164 | VAL | 0 | 0.013 | -0.014 | 49.013 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 165 | SER | 0 | -0.003 | 0.019 | 48.531 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 166 | TRP | 0 | 0.046 | 0.011 | 49.867 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 167 | ASN | 0 | 0.007 | -0.019 | 50.759 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 168 | SER | 0 | -0.023 | -0.019 | 51.524 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 169 | GLY | 0 | -0.020 | -0.002 | 47.489 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 170 | ALA | 0 | -0.034 | -0.009 | 46.729 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 171 | LEU | 0 | -0.030 | -0.004 | 48.468 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 172 | THR | 0 | -0.003 | -0.012 | 43.747 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 173 | SER | 0 | 0.000 | 0.000 | 44.348 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 174 | GLY | 0 | 0.052 | 0.022 | 45.860 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 175 | VAL | 0 | -0.035 | -0.009 | 46.271 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 176 | HIS | 0 | 0.010 | 0.004 | 45.421 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 177 | THR | 0 | -0.008 | -0.002 | 47.442 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 178 | PHE | 0 | -0.040 | -0.007 | 47.564 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 179 | PRO | 0 | 0.001 | -0.009 | 46.282 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 180 | ALA | 0 | -0.004 | 0.012 | 48.677 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 181 | VAL | 0 | -0.028 | -0.012 | 51.446 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 182 | LEU | 0 | -0.047 | -0.017 | 54.187 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 183 | GLN | 0 | 0.001 | 0.020 | 56.257 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 184 | SER | 0 | 0.010 | -0.003 | 59.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 185 | SER | 0 | -0.027 | 0.008 | 62.719 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 186 | GLY | 0 | 0.047 | 0.020 | 59.886 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 187 | LEU | 0 | -0.095 | -0.052 | 58.888 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 188 | TYR | 0 | 0.027 | 0.009 | 51.847 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 189 | SER | 0 | -0.041 | -0.022 | 55.976 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 190 | LEU | 0 | 0.037 | 0.029 | 50.903 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 191 | SER | 0 | 0.025 | 0.014 | 53.708 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 192 | SER | 0 | -0.012 | -0.018 | 50.789 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 193 | VAL | 0 | 0.034 | 0.001 | 51.963 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 194 | VAL | 0 | 0.017 | 0.008 | 50.494 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 195 | THR | 0 | -0.020 | 0.000 | 50.951 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 196 | VAL | 0 | 0.005 | 0.001 | 52.287 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 197 | PRO | 0 | 0.045 | 0.013 | 53.506 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 198 | SER | 0 | 0.005 | -0.006 | 56.364 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 199 | SER | 0 | 0.007 | -0.002 | 59.876 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 200 | SER | 0 | -0.030 | -0.013 | 57.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 201 | LEU | 0 | -0.012 | -0.011 | 59.366 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 202 | GLY | 0 | 0.020 | 0.030 | 61.664 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 203 | THR | 0 | -0.049 | -0.030 | 59.611 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 204 | GLN | 0 | -0.045 | -0.012 | 55.195 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 205 | THR | 0 | 0.007 | -0.010 | 58.902 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 206 | TYR | 0 | 0.034 | -0.003 | 54.317 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 207 | ILE | 0 | 0.002 | -0.007 | 56.480 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 209 | ASN | 0 | -0.006 | -0.017 | 52.827 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 210 | VAL | 0 | 0.022 | 0.013 | 52.724 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 211 | ASN | 0 | 0.007 | -0.010 | 50.715 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 212 | HIS | 1 | 0.850 | 0.911 | 51.793 | -5.717 | -5.717 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 213 | LYS | 1 | 1.023 | 0.998 | 48.670 | -6.514 | -6.514 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | A | 214 | PRO | 0 | -0.022 | -0.009 | 51.332 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | A | 215 | SER | 0 | 0.016 | 0.011 | 53.884 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | A | 216 | ASN | 0 | -0.036 | -0.019 | 55.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | A | 217 | THR | 0 | 0.004 | 0.020 | 56.787 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | A | 218 | LYS | 1 | 0.850 | 0.927 | 53.612 | -5.733 | -5.733 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | A | 219 | VAL | 0 | -0.017 | -0.019 | 56.902 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | A | 220 | ASP | -1 | -0.809 | -0.884 | 56.280 | 5.780 | 5.780 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | A | 221 | LYS | 1 | 0.847 | 0.898 | 58.722 | -5.071 | -5.071 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | A | 222 | LYN | 0 | 0.028 | 0.051 | 59.517 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | A | 223 | VAL | 0 | -0.089 | -0.051 | 58.897 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | A | 224 | GLU | -1 | -0.801 | -0.890 | 61.798 | 4.993 | 4.993 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | A | 225 | PRO | 0 | -0.013 | -0.019 | 64.290 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | A | 226 | LYS | 1 | 0.865 | 0.922 | 66.047 | -4.621 | -4.621 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | A | 227 | SER | 0 | -0.009 | 0.003 | 69.257 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | B | 1 | ASP | -1 | -0.925 | -0.976 | 35.122 | 8.681 | 8.681 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | B | 2 | ILE | 0 | -0.038 | -0.010 | 28.948 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | B | 3 | VAL | 0 | 0.016 | 0.027 | 32.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | B | 4 | MET | 0 | -0.017 | 0.000 | 27.377 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | B | 5 | THR | 0 | -0.030 | -0.019 | 31.549 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | B | 6 | GLN | 0 | -0.009 | -0.040 | 30.358 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | B | 7 | SER | 0 | -0.030 | -0.002 | 31.130 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | B | 8 | PRO | 0 | 0.074 | 0.019 | 31.087 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | B | 9 | LEU | 0 | 0.031 | 0.036 | 33.666 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | B | 10 | SER | 0 | -0.057 | -0.036 | 36.223 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | B | 11 | LEU | 0 | -0.023 | -0.006 | 30.551 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | B | 12 | PRO | 0 | 0.048 | 0.023 | 34.814 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | B | 13 | VAL | 0 | -0.024 | -0.018 | 31.118 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | B | 14 | THR | 0 | -0.060 | -0.043 | 34.546 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | B | 15 | PRO | 0 | -0.015 | -0.015 | 32.778 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | B | 16 | GLY | 0 | -0.026 | -0.007 | 30.239 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | B | 17 | GLU | -1 | -0.774 | -0.847 | 29.602 | 9.062 | 9.062 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | B | 18 | PRO | 0 | -0.001 | 0.007 | 26.300 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | B | 19 | ALA | 0 | 0.008 | 0.002 | 26.733 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | B | 20 | SER | 0 | -0.037 | -0.028 | 25.984 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | B | 21 | ILE | 0 | -0.018 | 0.003 | 26.400 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | B | 22 | SER | 0 | -0.007 | 0.008 | 26.350 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | B | 93 | CYS | 0 | -0.031 | -0.019 | 26.561 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | B | 24 | ARG | 1 | 0.869 | 0.930 | 26.665 | -9.924 | -9.924 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | B | 25 | SER | 0 | 0.005 | -0.018 | 28.128 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | B | 26 | SER | 0 | -0.002 | -0.009 | 29.988 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | B | 27 | GLN | 0 | 0.024 | 0.035 | 29.995 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | B | 28 | SER | 0 | -0.043 | -0.019 | 24.806 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | B | 29 | LEU | 0 | 0.021 | 0.003 | 23.213 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | B | 30 | LEU | 0 | -0.046 | -0.013 | 18.010 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | B | 31 | HIS | 0 | -0.010 | -0.007 | 17.352 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | B | 32 | SER | 0 | 0.025 | 0.030 | 19.485 | -1.077 | -1.077 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | B | 33 | ASN | 0 | -0.004 | -0.013 | 16.005 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | B | 34 | GLY | 0 | 0.020 | 0.019 | 14.346 | 1.172 | 1.172 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | B | 35 | TYR | 0 | -0.002 | 0.020 | 10.935 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | B | 36 | ASN | 0 | 0.063 | 0.032 | 15.928 | -1.815 | -1.815 | 0.000 | 0.000 | 0.000 | 0.000 |
869 | B | 37 | TYR | 0 | -0.029 | -0.030 | 18.656 | 0.425 | 0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
870 | B | 38 | LEU | 0 | -0.015 | -0.006 | 20.870 | -0.805 | -0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | B | 39 | ASP | -1 | -0.748 | -0.843 | 20.832 | 14.990 | 14.990 | 0.000 | 0.000 | 0.000 | 0.000 |
872 | B | 40 | TRP | 0 | -0.018 | -0.029 | 21.693 | -0.754 | -0.754 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | B | 41 | TYR | 0 | -0.004 | -0.018 | 23.741 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
874 | B | 42 | LEU | 0 | -0.010 | -0.003 | 26.590 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
875 | B | 43 | GLN | 0 | 0.004 | 0.010 | 29.061 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
876 | B | 44 | LYS | 1 | 0.891 | 0.957 | 28.958 | -10.549 | -10.549 | 0.000 | 0.000 | 0.000 | 0.000 |
877 | B | 45 | PRO | 0 | 0.057 | 0.015 | 33.851 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
878 | B | 46 | GLY | 0 | -0.034 | -0.008 | 37.733 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
879 | B | 47 | GLN | 0 | -0.045 | -0.014 | 33.776 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
880 | B | 48 | SER | 0 | 0.002 | 0.003 | 34.073 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
881 | B | 49 | PRO | 0 | -0.040 | -0.026 | 30.760 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
882 | B | 50 | GLN | 0 | 0.013 | 0.013 | 25.991 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
883 | B | 51 | LEU | 0 | -0.015 | -0.007 | 20.837 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
884 | B | 52 | LEU | 0 | -0.036 | -0.015 | 22.298 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
885 | B | 53 | ILE | 0 | -0.032 | -0.016 | 17.512 | 0.750 | 0.750 | 0.000 | 0.000 | 0.000 | 0.000 |
886 | B | 54 | TYR | 0 | 0.034 | 0.009 | 15.053 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
887 | B | 55 | LEU | 0 | -0.011 | -0.003 | 16.084 | 1.189 | 1.189 | 0.000 | 0.000 | 0.000 | 0.000 |
888 | B | 56 | GLY | 0 | 0.015 | 0.015 | 16.247 | 1.126 | 1.126 | 0.000 | 0.000 | 0.000 | 0.000 |
889 | B | 57 | SER | 0 | -0.058 | -0.040 | 13.180 | -0.626 | -0.626 | 0.000 | 0.000 | 0.000 | 0.000 |
890 | B | 58 | ASN | 0 | -0.043 | -0.009 | 12.164 | 2.086 | 2.086 | 0.000 | 0.000 | 0.000 | 0.000 |
891 | B | 59 | ARG | 1 | 0.851 | 0.921 | 14.475 | -18.791 | -18.791 | 0.000 | 0.000 | 0.000 | 0.000 |
892 | B | 60 | ALA | 0 | 0.012 | 0.006 | 15.930 | 0.779 | 0.779 | 0.000 | 0.000 | 0.000 | 0.000 |
893 | B | 61 | SER | 0 | 0.010 | -0.007 | 18.083 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
894 | B | 62 | GLY | 0 | 0.007 | 0.004 | 19.024 | -0.704 | -0.704 | 0.000 | 0.000 | 0.000 | 0.000 |
895 | B | 63 | VAL | 0 | -0.041 | -0.003 | 19.915 | -0.590 | -0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
896 | B | 64 | PRO | 0 | 0.038 | 0.011 | 19.705 | 0.759 | 0.759 | 0.000 | 0.000 | 0.000 | 0.000 |
897 | B | 65 | ASP | -1 | -0.831 | -0.931 | 16.825 | 16.828 | 16.828 | 0.000 | 0.000 | 0.000 | 0.000 |
898 | B | 66 | ARG | 1 | 0.733 | 0.860 | 18.741 | -11.132 | -11.132 | 0.000 | 0.000 | 0.000 | 0.000 |
899 | B | 67 | PHE | 0 | 0.001 | 0.017 | 20.647 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
900 | B | 68 | SER | 0 | -0.012 | -0.009 | 17.209 | 1.025 | 1.025 | 0.000 | 0.000 | 0.000 | 0.000 |
901 | B | 69 | GLY | 0 | 0.040 | 0.025 | 17.293 | -0.953 | -0.953 | 0.000 | 0.000 | 0.000 | 0.000 |
902 | B | 70 | SER | 0 | -0.044 | -0.027 | 16.873 | 0.910 | 0.910 | 0.000 | 0.000 | 0.000 | 0.000 |
903 | B | 71 | GLY | 0 | 0.047 | 0.013 | 18.233 | -0.852 | -0.852 | 0.000 | 0.000 | 0.000 | 0.000 |
904 | B | 72 | SER | 0 | -0.033 | -0.040 | 18.381 | 1.016 | 1.016 | 0.000 | 0.000 | 0.000 | 0.000 |
905 | B | 73 | GLY | 0 | 0.060 | 0.034 | 20.277 | -0.664 | -0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
906 | B | 74 | THR | 0 | 0.014 | -0.008 | 23.100 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
907 | B | 75 | ASP | -1 | -0.846 | -0.883 | 24.381 | 10.798 | 10.798 | 0.000 | 0.000 | 0.000 | 0.000 |
908 | B | 76 | PHE | 0 | 0.048 | 0.018 | 19.685 | 0.755 | 0.755 | 0.000 | 0.000 | 0.000 | 0.000 |
909 | B | 77 | THR | 0 | -0.068 | -0.046 | 22.215 | -0.818 | -0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
910 | B | 78 | LEU | 0 | 0.007 | 0.036 | 21.666 | 0.784 | 0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
911 | B | 79 | LYS | 1 | 0.931 | 0.948 | 20.853 | -14.325 | -14.325 | 0.000 | 0.000 | 0.000 | 0.000 |
912 | B | 80 | ILE | 0 | 0.022 | 0.019 | 21.995 | 0.564 | 0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
913 | B | 81 | SER | 0 | -0.019 | -0.015 | 21.305 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
914 | B | 82 | ARG | 1 | 0.871 | 0.920 | 23.500 | -11.671 | -11.671 | 0.000 | 0.000 | 0.000 | 0.000 |
915 | B | 83 | VAL | 0 | 0.032 | 0.027 | 26.624 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
916 | B | 84 | GLU | -1 | -0.831 | -0.910 | 27.536 | 10.676 | 10.676 | 0.000 | 0.000 | 0.000 | 0.000 |
917 | B | 85 | ALA | 0 | 0.033 | 0.012 | 30.923 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
918 | B | 86 | GLU | -1 | -0.816 | -0.906 | 27.732 | 10.885 | 10.885 | 0.000 | 0.000 | 0.000 | 0.000 |
919 | B | 87 | ASP | -1 | -0.785 | -0.878 | 27.924 | 11.130 | 11.130 | 0.000 | 0.000 | 0.000 | 0.000 |
920 | B | 88 | VAL | 0 | -0.014 | 0.015 | 30.489 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
921 | B | 89 | GLY | 0 | 0.044 | 0.013 | 33.464 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
922 | B | 90 | VAL | 0 | -0.065 | -0.022 | 33.722 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
923 | B | 91 | TYR | 0 | 0.015 | -0.012 | 26.808 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
924 | B | 92 | TYR | 0 | 0.001 | -0.010 | 29.083 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
925 | B | 94 | MET | 0 | -0.041 | -0.022 | 25.725 | -0.613 | -0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
926 | B | 95 | GLN | 0 | -0.001 | 0.001 | 25.554 | 1.047 | 1.047 | 0.000 | 0.000 | 0.000 | 0.000 |
927 | B | 96 | ALA | 0 | -0.029 | -0.019 | 23.235 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
928 | B | 97 | LEU | 0 | 0.015 | 0.010 | 23.464 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
929 | B | 98 | GLN | 0 | 0.008 | 0.000 | 25.550 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
930 | B | 99 | THR | 0 | -0.009 | 0.007 | 29.321 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
931 | B | 100 | PRO | 0 | 0.042 | 0.024 | 31.586 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
932 | B | 101 | GLY | 0 | 0.013 | 0.018 | 30.635 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
933 | B | 102 | THR | 0 | -0.036 | -0.044 | 30.869 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
934 | B | 103 | PHE | 0 | 0.018 | -0.015 | 29.876 | 0.450 | 0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
935 | B | 104 | GLY | 0 | 0.027 | 0.024 | 30.920 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
936 | B | 105 | GLN | 0 | 0.007 | -0.016 | 32.468 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
937 | B | 106 | GLY | 0 | 0.007 | 0.020 | 33.206 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
938 | B | 107 | THR | 0 | -0.046 | -0.044 | 31.699 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
939 | B | 108 | ARG | 1 | 0.836 | 0.916 | 33.166 | -7.811 | -7.811 | 0.000 | 0.000 | 0.000 | 0.000 |
940 | B | 109 | LEU | 0 | -0.002 | 0.007 | 30.284 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
941 | B | 110 | GLU | -1 | -0.844 | -0.876 | 34.244 | 7.416 | 7.416 | 0.000 | 0.000 | 0.000 | 0.000 |
942 | B | 111 | ILE | 0 | 0.012 | -0.005 | 33.430 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
943 | B | 112 | LYS | 1 | 0.861 | 0.941 | 36.367 | -8.640 | -8.640 | 0.000 | 0.000 | 0.000 | 0.000 |
944 | B | 113 | ARG | 1 | 0.841 | 0.900 | 38.391 | -7.149 | -7.149 | 0.000 | 0.000 | 0.000 | 0.000 |
945 | B | 114 | THR | 0 | 0.003 | -0.002 | 41.064 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
946 | B | 115 | VAL | 0 | 0.015 | 0.015 | 44.445 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
947 | B | 116 | ALA | 0 | -0.035 | -0.013 | 47.246 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
948 | B | 117 | ALA | 0 | 0.040 | 0.019 | 49.102 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
949 | B | 118 | PRO | 0 | -0.012 | 0.008 | 52.271 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
950 | B | 119 | SER | 0 | -0.001 | -0.003 | 53.131 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
951 | B | 120 | VAL | 0 | -0.019 | -0.010 | 55.109 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
952 | B | 121 | PHE | 0 | -0.007 | -0.010 | 55.023 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
953 | B | 122 | ILE | 0 | -0.011 | -0.015 | 59.669 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
954 | B | 123 | PHE | 0 | -0.014 | -0.003 | 58.046 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
955 | B | 124 | PRO | 0 | 0.032 | 0.025 | 63.645 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
956 | B | 125 | PRO | 0 | 0.010 | 0.004 | 65.911 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
957 | B | 126 | SER | 0 | -0.019 | 0.005 | 65.551 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
958 | B | 127 | ASP | -1 | -0.749 | -0.887 | 67.564 | 4.516 | 4.516 | 0.000 | 0.000 | 0.000 | 0.000 |
959 | B | 128 | GLU | -1 | -0.827 | -0.894 | 67.363 | 4.647 | 4.647 | 0.000 | 0.000 | 0.000 | 0.000 |
960 | B | 129 | GLN | 0 | -0.008 | 0.025 | 64.473 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
961 | B | 130 | LEU | 0 | 0.043 | 0.032 | 68.926 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
962 | B | 131 | LYS | 1 | 0.830 | 0.907 | 70.988 | -4.599 | -4.599 | 0.000 | 0.000 | 0.000 | 0.000 |
963 | B | 132 | SER | 0 | -0.024 | -0.010 | 69.786 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
964 | B | 133 | GLY | 0 | 0.004 | 0.003 | 71.317 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
965 | B | 134 | THR | 0 | -0.042 | -0.013 | 68.418 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
966 | B | 135 | ALA | 0 | 0.029 | 0.017 | 68.672 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
967 | B | 136 | SER | 0 | -0.043 | -0.050 | 63.250 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
968 | B | 137 | VAL | 0 | 0.000 | 0.031 | 64.679 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
969 | B | 138 | VAL | 0 | 0.005 | 0.008 | 58.584 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
970 | B | 199 | CYS | 0 | -0.044 | -0.012 | 59.805 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
971 | B | 140 | LEU | 0 | -0.038 | -0.011 | 52.929 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
972 | B | 141 | LEU | 0 | 0.026 | 0.015 | 53.265 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
973 | B | 142 | ASN | 0 | 0.010 | -0.017 | 50.340 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
974 | B | 143 | ASN | 0 | 0.040 | 0.009 | 46.103 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
975 | B | 144 | PHE | 0 | -0.003 | 0.012 | 48.406 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
976 | B | 145 | TYR | 0 | 0.000 | -0.030 | 41.680 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
977 | B | 146 | PRO | 0 | 0.043 | 0.017 | 45.679 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
978 | B | 147 | ARG | 1 | 0.894 | 0.947 | 45.007 | -6.985 | -6.985 | 0.000 | 0.000 | 0.000 | 0.000 |
979 | B | 148 | GLU | -1 | -0.881 | -0.952 | 47.319 | 6.567 | 6.567 | 0.000 | 0.000 | 0.000 | 0.000 |
980 | B | 149 | ALA | 0 | -0.021 | -0.012 | 50.615 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
981 | B | 150 | LYS | 1 | 0.863 | 0.926 | 53.614 | -5.226 | -5.226 | 0.000 | 0.000 | 0.000 | 0.000 |
982 | B | 151 | VAL | 0 | 0.011 | 0.009 | 56.819 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
983 | B | 152 | GLN | 0 | -0.013 | -0.011 | 59.709 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
984 | B | 153 | TRP | 0 | 0.015 | 0.005 | 61.034 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
985 | B | 154 | LYS | 1 | 0.834 | 0.913 | 65.414 | -4.679 | -4.679 | 0.000 | 0.000 | 0.000 | 0.000 |
986 | B | 155 | VAL | 0 | 0.002 | 0.003 | 69.050 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
987 | B | 156 | ASP | -1 | -0.760 | -0.908 | 72.019 | 4.148 | 4.148 | 0.000 | 0.000 | 0.000 | 0.000 |
988 | B | 157 | ASN | 0 | -0.067 | -0.038 | 72.428 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
989 | B | 158 | ALA | 0 | 0.039 | 0.037 | 72.935 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
990 | B | 159 | LEU | 0 | -0.032 | -0.015 | 66.326 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
991 | B | 160 | GLN | 0 | 0.025 | 0.013 | 67.374 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
992 | B | 161 | SER | 0 | -0.042 | -0.047 | 65.396 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
993 | B | 162 | GLY | 0 | 0.022 | 0.024 | 64.980 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
994 | B | 163 | ASN | 0 | -0.029 | -0.019 | 65.474 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
995 | B | 164 | SER | 0 | -0.032 | -0.003 | 61.479 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
996 | B | 165 | GLN | 0 | 0.012 | 0.004 | 57.286 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
997 | B | 166 | GLU | -1 | -0.835 | -0.901 | 54.974 | 5.607 | 5.607 | 0.000 | 0.000 | 0.000 | 0.000 |
998 | B | 167 | SER | 0 | -0.007 | 0.004 | 51.328 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
999 | B | 168 | VAL | 0 | -0.024 | -0.018 | 47.571 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
1000 | B | 169 | THR | 0 | -0.002 | -0.002 | 44.887 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
1001 | B | 170 | GLU | -1 | -0.827 | -0.904 | 39.721 | 7.971 | 7.971 | 0.000 | 0.000 | 0.000 | 0.000 |
1002 | B | 171 | GLN | 0 | -0.013 | -0.003 | 38.723 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
1003 | B | 172 | ASP | -1 | -0.746 | -0.881 | 39.502 | 7.970 | 7.970 | 0.000 | 0.000 | 0.000 | 0.000 |
1004 | B | 173 | SER | 0 | -0.018 | -0.021 | 34.993 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
1005 | B | 174 | LYS | 1 | 0.781 | 0.884 | 35.676 | -7.253 | -7.253 | 0.000 | 0.000 | 0.000 | 0.000 |
1006 | B | 175 | ASP | -1 | -0.796 | -0.884 | 38.051 | 7.359 | 7.359 | 0.000 | 0.000 | 0.000 | 0.000 |
1007 | B | 176 | SER | 0 | -0.052 | -0.018 | 37.918 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
1008 | B | 177 | THR | 0 | -0.040 | -0.001 | 40.393 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
1009 | B | 178 | TYR | 0 | -0.063 | -0.065 | 42.229 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
1010 | B | 179 | SER | 0 | 0.061 | 0.023 | 45.852 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
1011 | B | 180 | LEU | 0 | -0.015 | -0.007 | 49.044 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
1012 | B | 181 | SER | 0 | -0.014 | 0.010 | 51.891 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
1013 | B | 182 | SER | 0 | 0.007 | -0.026 | 54.803 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
1014 | B | 183 | THR | 0 | 0.000 | -0.017 | 57.897 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
1015 | B | 184 | LEU | 0 | 0.018 | 0.022 | 60.707 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
1016 | B | 185 | THR | 0 | 0.006 | -0.004 | 63.646 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
1017 | B | 186 | LEU | 0 | 0.028 | 0.014 | 65.577 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
1018 | B | 187 | SER | 0 | 0.019 | 0.011 | 69.448 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
1019 | B | 188 | LYS | 1 | 0.853 | 0.906 | 72.390 | -4.247 | -4.247 | 0.000 | 0.000 | 0.000 | 0.000 |
1020 | B | 189 | ALA | 0 | -0.016 | -0.017 | 74.365 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
1021 | B | 190 | ASP | -1 | -0.875 | -0.942 | 73.593 | 4.283 | 4.283 | 0.000 | 0.000 | 0.000 | 0.000 |
1022 | B | 191 | TYR | -1 | -0.857 | -0.951 | 70.758 | 4.485 | 4.485 | 0.000 | 0.000 | 0.000 | 0.000 |
1023 | B | 192 | GLU | -1 | -0.796 | -0.908 | 73.780 | 4.184 | 4.184 | 0.000 | 0.000 | 0.000 | 0.000 |
1024 | B | 193 | LYS | 1 | 0.907 | 0.963 | 77.054 | -4.001 | -4.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1025 | B | 194 | HIS | 0 | -0.049 | 0.004 | 75.138 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
1026 | B | 195 | LYS | 1 | 0.911 | 0.959 | 76.768 | -4.047 | -4.047 | 0.000 | 0.000 | 0.000 | 0.000 |
1027 | B | 196 | VAL | 0 | -0.049 | -0.015 | 72.494 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
1028 | B | 197 | TYR | 0 | 0.013 | 0.010 | 68.834 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
1029 | B | 198 | ALA | 0 | 0.004 | -0.019 | 67.338 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
1030 | B | 200 | GLU | -1 | -0.813 | -0.888 | 63.728 | 4.813 | 4.813 | 0.000 | 0.000 | 0.000 | 0.000 |
1031 | B | 201 | VAL | 0 | 0.022 | -0.004 | 57.358 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
1032 | B | 202 | THR | 0 | -0.022 | -0.010 | 57.963 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
1033 | B | 203 | HIS | 0 | 0.067 | 0.013 | 49.726 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
1034 | B | 204 | GLN | 0 | 0.018 | 0.021 | 49.499 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
1035 | B | 205 | GLY | 0 | 0.000 | -0.008 | 52.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1036 | B | 206 | LEU | 0 | -0.082 | -0.040 | 53.289 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
1037 | B | 207 | SER | 0 | 0.000 | -0.004 | 57.110 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
1038 | B | 208 | SER | 0 | -0.008 | -0.007 | 59.361 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
1039 | B | 209 | PRO | 0 | -0.001 | 0.000 | 60.851 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
1040 | B | 210 | VAL | 0 | 0.020 | 0.033 | 59.440 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
1041 | B | 211 | THR | 0 | 0.031 | 0.004 | 61.954 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
1042 | B | 212 | LYS | 1 | 0.867 | 0.948 | 61.059 | -5.165 | -5.165 | 0.000 | 0.000 | 0.000 | 0.000 |
1043 | B | 213 | SER | 0 | 0.029 | 0.000 | 64.906 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1044 | B | 214 | PHE | 0 | -0.031 | -0.004 | 67.067 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
1045 | B | 215 | ASN | 0 | 0.002 | -0.014 | 70.277 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
1046 | B | 216 | ARG | 1 | 0.812 | 0.933 | 73.618 | -4.225 | -4.225 | 0.000 | 0.000 | 0.000 | 0.000 |