FMODB ID: 9Y9J2
Calculation Name: 7K8M-ABE-Xray187
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 7K8M
Chain ID: ABE
Base Structure: X-ray
Registration Date: 2020-12-21
Reference: K. Watanabe, K. Kato Y. Handa, Y. Kawashima, K. Fukuzawa, C. Watanabe, T. Honma, , To be published
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 611 |
LigandCharge | None |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12377866.252791 |
---|---|
FMO2-HF: Nuclear repulsion | 12140429.821728 |
FMO2-HF: Total energy | -237436.431063 |
FMO2-MP2: Total energy | -238128.970426 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-430 : frag 431-611)
"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. |
-413.5559 | -375.0634 | 234.5222 | -110.2200 | -162.7947 | -0.0967 |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:GLN )
Summations of interaction energy for
fragment #1(A:1:GLN )
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. |
2.683 | 5.88 | 0.443 | -1.212 | -2.429 | 0.005 |
Interaction energy analysis for fragmet #1(A:1:GLN )
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | GLN | 0 | -0.015 | -0.006 | 3.822 | 1.225 | 2.984 | -0.007 | -0.796 | -0.957 | 0.002 |
4 | A | 4 | LEU | 0 | -0.012 | -0.001 | 5.939 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | VAL | 0 | 0.024 | 0.013 | 8.787 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | GLU | -1 | -0.766 | -0.880 | 11.444 | -0.791 | -0.791 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | SER | 0 | -0.020 | -0.019 | 15.238 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | GLY | 0 | 0.040 | 0.014 | 17.925 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | GLY | 0 | 0.009 | 0.013 | 21.196 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | GLY | 0 | 0.000 | -0.009 | 22.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | LEU | 0 | -0.037 | -0.009 | 26.204 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ILE | 0 | -0.019 | -0.005 | 29.947 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLN | 0 | 0.060 | 0.019 | 31.899 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | PRO | 0 | 0.000 | -0.010 | 35.079 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | GLY | 0 | -0.021 | -0.008 | 36.671 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | GLY | 0 | -0.004 | 0.004 | 34.592 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | SER | 0 | -0.034 | -0.027 | 31.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | LEU | 0 | 0.004 | 0.002 | 25.730 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ARG | 1 | 0.931 | 0.979 | 22.359 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | -0.005 | 0.019 | 20.460 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | SER | 0 | -0.011 | -0.027 | 17.579 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 92 | CYS | 0 | -0.086 | -0.029 | 14.065 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | ALA | 0 | 0.030 | 0.032 | 11.630 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | ALA | 0 | 0.018 | 0.007 | 8.736 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | SER | 0 | 0.024 | 0.014 | 4.292 | 0.351 | 0.555 | -0.001 | -0.019 | -0.184 | 0.000 |
26 | A | 26 | GLY | 0 | 0.048 | 0.026 | 2.642 | -2.333 | -1.617 | 0.414 | -0.577 | -0.553 | 0.003 |
27 | A | 27 | PHE | 0 | 0.003 | -0.002 | 3.236 | 2.650 | 2.681 | 0.035 | 0.242 | -0.308 | 0.000 |
28 | A | 28 | ILE | 0 | 0.044 | 0.031 | 6.999 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | VAL | 0 | 0.046 | 0.022 | 9.951 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | SER | 0 | -0.042 | -0.046 | 12.843 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | SER | 0 | 0.022 | 0.029 | 12.418 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ASN | 0 | -0.043 | -0.023 | 10.606 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | TYR | 0 | -0.026 | -0.002 | 14.421 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | MET | 0 | -0.035 | -0.006 | 12.798 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | SER | 0 | 0.017 | -0.023 | 16.724 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | TRP | 0 | -0.026 | -0.013 | 18.252 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | VAL | 0 | 0.003 | -0.003 | 20.271 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ARG | 1 | 0.776 | 0.863 | 21.518 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLN | 0 | 0.034 | 0.029 | 23.175 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ALA | 0 | 0.031 | 0.024 | 25.481 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | PRO | 0 | 0.022 | -0.007 | 28.502 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLY | 0 | -0.002 | 0.003 | 29.036 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | LYS | 1 | 0.879 | 0.949 | 29.551 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLY | 0 | 0.080 | 0.035 | 27.725 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | LEU | 0 | -0.052 | -0.017 | 22.311 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLU | -1 | -0.769 | -0.850 | 25.893 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | TRP | 0 | 0.007 | -0.003 | 22.658 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | VAL | 0 | -0.005 | 0.007 | 24.372 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | SER | 0 | -0.018 | -0.032 | 23.572 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | VAL | 0 | -0.017 | 0.012 | 20.115 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ILE | 0 | -0.023 | -0.004 | 18.516 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | TYR | 0 | 0.026 | -0.032 | 19.360 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | SER | 0 | -0.003 | -0.005 | 17.146 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLY | 0 | 0.011 | 0.022 | 18.578 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | GLY | 0 | -0.029 | -0.020 | 21.806 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | SER | 0 | -0.036 | -0.038 | 22.862 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | THR | 0 | -0.020 | -0.007 | 23.473 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | PHE | 0 | -0.016 | -0.005 | 25.380 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | TYR | 0 | -0.012 | -0.008 | 26.111 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ALA | 0 | 0.037 | 0.028 | 28.535 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ASP | -1 | -0.913 | -0.968 | 30.236 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | SER | 0 | -0.013 | -0.011 | 31.647 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | VAL | 0 | -0.003 | 0.000 | 28.515 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | LYS | 1 | 0.976 | 1.006 | 31.690 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLY | 0 | -0.025 | -0.014 | 32.723 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ARG | 1 | 0.750 | 0.844 | 32.874 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | PHE | 0 | 0.014 | -0.005 | 27.159 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | THR | 0 | -0.034 | -0.023 | 26.468 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ILE | 0 | -0.010 | 0.011 | 19.923 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | SER | 0 | -0.014 | -0.009 | 21.580 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ARG | 1 | 0.857 | 0.906 | 16.747 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ASP | -1 | -0.818 | -0.888 | 17.242 | -0.610 | -0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ASN | 0 | 0.030 | 0.005 | 15.543 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | SER | 0 | -0.004 | 0.008 | 14.896 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LYS | 1 | 0.850 | 0.919 | 14.366 | 0.741 | 0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ASN | 0 | -0.008 | 0.006 | 8.255 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | THR | 0 | -0.030 | -0.013 | 11.556 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | LEU | 0 | -0.004 | -0.002 | 14.298 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | TYR | 0 | -0.030 | -0.031 | 16.318 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | LEU | 0 | 0.023 | 0.008 | 19.883 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | GLN | 0 | -0.034 | -0.015 | 22.854 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | MET | 0 | -0.015 | 0.006 | 25.600 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 82 | ASN | 0 | 0.035 | -0.007 | 28.762 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 82 | SER | 0 | 0.006 | 0.010 | 32.482 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 82 | LEU | 0 | -0.002 | 0.017 | 29.425 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 83 | ARG | 1 | 0.866 | 0.908 | 33.591 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 84 | ALA | 0 | 0.068 | 0.035 | 33.812 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 85 | GLU | -1 | -0.834 | -0.905 | 33.742 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 86 | ASP | -1 | -0.745 | -0.828 | 30.142 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 87 | THR | 0 | -0.023 | 0.006 | 29.012 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 88 | ALA | 0 | -0.005 | -0.010 | 26.077 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 89 | VAL | 0 | 0.001 | 0.012 | 20.553 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 90 | TYR | 0 | -0.021 | -0.035 | 21.511 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 91 | TYR | 0 | 0.030 | 0.003 | 16.881 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 93 | ALA | 0 | 0.033 | 0.001 | 14.260 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 94 | ARG | 1 | 0.828 | 0.887 | 9.992 | 0.786 | 0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 95 | ASP | -1 | -0.832 | -0.890 | 13.544 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 96 | TYR | 0 | 0.032 | 0.019 | 14.309 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 97 | GLY | 0 | 0.005 | -0.017 | 16.542 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 98 | ASP | -1 | -0.836 | -0.909 | 19.246 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 99 | TYR | 0 | -0.043 | -0.037 | 20.467 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 100 | TYR | 0 | 0.022 | 0.013 | 16.336 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 100 | PHE | 0 | 0.024 | -0.008 | 16.663 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 101 | ASP | -1 | -0.769 | -0.871 | 12.506 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 102 | TYR | 0 | -0.043 | -0.020 | 8.412 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 103 | TRP | 0 | -0.003 | -0.011 | 11.833 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 104 | GLY | 0 | 0.012 | 0.012 | 11.413 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 105 | GLN | 0 | -0.052 | -0.036 | 11.928 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 106 | GLY | 0 | -0.007 | -0.004 | 13.839 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 107 | THR | 0 | -0.051 | -0.028 | 17.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 108 | LEU | 0 | -0.012 | -0.002 | 19.616 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 109 | VAL | 0 | 0.002 | 0.002 | 23.304 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 110 | THR | 0 | -0.009 | -0.011 | 26.117 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 111 | VAL | 0 | 0.008 | 0.006 | 29.624 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 112 | SER | 0 | -0.001 | -0.012 | 32.652 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 113 | SER | 0 | 0.012 | 0.008 | 35.710 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 114 | ALA | 0 | -0.020 | 0.008 | 37.695 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 115 | SER | 0 | 0.012 | -0.002 | 37.699 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 116 | THR | 0 | -0.038 | -0.023 | 35.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 117 | LYS | 1 | 0.833 | 0.922 | 37.994 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 118 | GLY | 0 | 0.063 | 0.038 | 39.116 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 119 | PRO | 0 | -0.046 | -0.022 | 38.593 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 120 | SER | 0 | -0.002 | -0.002 | 41.238 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 121 | VAL | 0 | -0.016 | -0.004 | 42.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 122 | PHE | 0 | 0.025 | 0.002 | 44.807 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 123 | PRO | 0 | 0.013 | 0.009 | 46.697 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 124 | LEU | 0 | -0.034 | -0.015 | 45.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 125 | ALA | 0 | 0.028 | 0.005 | 48.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 126 | PRO | 0 | 0.020 | 0.016 | 50.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 127 | SER | 0 | 0.029 | 0.013 | 52.664 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 128 | SER | 0 | 0.063 | -0.001 | 55.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 129 | LYS | 1 | 0.851 | 0.926 | 57.192 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 130 | SER | 0 | -0.042 | -0.023 | 52.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 131 | THR | 0 | 0.038 | 0.012 | 52.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 132 | SER | 0 | 0.025 | 0.034 | 54.897 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 133 | GLY | 0 | -0.003 | 0.000 | 56.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 134 | GLY | 0 | 0.031 | -0.001 | 54.222 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 135 | THR | 0 | -0.038 | -0.009 | 48.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 136 | ALA | 0 | 0.008 | 0.016 | 50.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 137 | ALA | 0 | -0.014 | 0.006 | 46.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 138 | LEU | 0 | -0.019 | 0.003 | 45.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 139 | GLY | 0 | 0.055 | 0.009 | 44.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 196 | CYS | 0 | -0.091 | -0.010 | 41.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 141 | LEU | 0 | 0.015 | 0.019 | 42.527 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 142 | VAL | 0 | -0.001 | -0.001 | 38.470 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 143 | LYS | 1 | 0.894 | 0.946 | 40.640 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 144 | ASP | -1 | -0.820 | -0.907 | 42.175 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 145 | TYR | 0 | 0.031 | 0.018 | 34.401 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 146 | PHE | 0 | 0.052 | 0.028 | 34.260 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 147 | PRO | 0 | 0.036 | 0.026 | 31.597 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 148 | GLU | -1 | -0.834 | -0.910 | 30.178 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 149 | PRO | 0 | -0.014 | -0.010 | 27.477 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 150 | VAL | 0 | -0.016 | -0.025 | 30.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 151 | THR | 0 | -0.029 | -0.007 | 29.976 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 152 | VAL | 0 | 0.015 | -0.003 | 32.797 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 153 | SER | 0 | -0.039 | -0.006 | 34.886 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 154 | TRP | 0 | 0.059 | 0.022 | 36.681 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 155 | ASN | 0 | 0.009 | 0.000 | 39.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 156 | SER | 0 | -0.003 | -0.013 | 38.555 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 157 | GLY | 0 | -0.009 | 0.002 | 35.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 158 | ALA | 0 | -0.014 | 0.003 | 36.629 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 159 | LEU | 0 | -0.047 | -0.014 | 39.335 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 160 | THR | 0 | 0.017 | -0.008 | 34.684 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 161 | SER | 0 | -0.004 | 0.000 | 36.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 162 | GLY | 0 | 0.066 | 0.023 | 39.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 163 | VAL | 0 | -0.036 | -0.009 | 37.036 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 164 | HIS | 0 | 0.010 | 0.015 | 36.674 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 165 | THR | 0 | 0.032 | 0.016 | 34.353 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 166 | PHE | 0 | -0.037 | -0.012 | 34.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 167 | PRO | 0 | 0.014 | 0.003 | 32.383 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 168 | ALA | 0 | 0.003 | 0.012 | 33.279 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 169 | VAL | 0 | -0.009 | -0.001 | 34.898 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 170 | LEU | 0 | -0.008 | 0.000 | 35.416 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 171 | GLN | 0 | -0.024 | -0.021 | 37.948 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 172 | SER | 0 | 0.013 | -0.004 | 41.341 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 173 | SER | 0 | -0.013 | -0.007 | 43.790 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 174 | GLY | 0 | 0.027 | 0.019 | 39.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 175 | LEU | 0 | -0.049 | -0.012 | 38.664 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 176 | TYR | 0 | -0.022 | -0.031 | 31.803 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 177 | SER | 0 | -0.024 | -0.007 | 38.205 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 178 | LEU | 0 | -0.036 | -0.011 | 34.704 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 179 | SER | 0 | 0.034 | 0.024 | 38.764 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 180 | SER | 0 | -0.016 | -0.016 | 37.897 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 181 | VAL | 0 | 0.023 | -0.001 | 39.966 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 182 | VAL | 0 | 0.014 | 0.009 | 40.685 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 183 | THR | 0 | -0.012 | 0.002 | 42.786 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 184 | VAL | 0 | -0.009 | 0.001 | 44.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 185 | PRO | 0 | 0.034 | 0.016 | 47.265 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 186 | SER | 0 | 0.023 | -0.008 | 50.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 187 | SER | 0 | -0.016 | -0.015 | 53.508 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 188 | SER | 0 | 0.012 | 0.002 | 50.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 189 | LEU | 0 | -0.047 | -0.023 | 51.366 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 190 | GLY | 0 | 0.004 | 0.009 | 53.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 191 | THR | 0 | -0.045 | -0.013 | 53.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 192 | GLN | 0 | -0.042 | -0.018 | 47.765 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 193 | THR | 0 | 0.000 | 0.012 | 48.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 194 | TYR | 0 | 0.042 | 0.017 | 45.484 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 195 | ILE | 0 | 0.028 | -0.002 | 44.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 197 | ASN | 0 | 0.030 | -0.003 | 38.375 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 198 | VAL | 0 | -0.004 | -0.005 | 37.726 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 199 | ASN | 0 | -0.025 | -0.026 | 32.358 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 200 | HIS | 0 | 0.000 | -0.018 | 34.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 201 | LYS | 1 | 0.960 | 0.973 | 27.569 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 202 | PRO | 0 | 0.011 | 0.010 | 31.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 203 | SER | 0 | 0.018 | -0.002 | 33.238 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 204 | ASN | 0 | -0.041 | -0.016 | 34.744 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 205 | THR | 0 | 0.002 | 0.028 | 36.892 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 206 | LYS | 1 | 0.933 | 0.963 | 35.954 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 207 | VAL | 0 | 0.008 | 0.003 | 39.672 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 208 | ASP | -1 | -0.844 | -0.897 | 41.695 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 209 | LYS | 1 | 0.823 | 0.886 | 43.979 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 210 | ARG | 1 | 0.844 | 0.902 | 46.045 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 211 | VAL | 0 | -0.050 | -0.024 | 46.627 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 212 | GLU | -1 | -0.836 | -0.893 | 49.495 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 213 | PRO | 0 | 0.012 | -0.005 | 52.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 214 | LYS | 1 | 0.870 | 0.918 | 55.664 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 215 | SER | 0 | 0.005 | 0.013 | 58.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 1 | GLU | -1 | -0.828 | -0.906 | 34.150 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 2 | ILE | 0 | -0.078 | -0.032 | 33.189 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 3 | VAL | 0 | 0.002 | 0.010 | 33.673 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 4 | LEU | 0 | 0.004 | -0.017 | 29.599 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 5 | THR | 0 | 0.006 | -0.001 | 33.728 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 6 | GLN | 0 | 0.001 | -0.021 | 28.952 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 7 | SER | 0 | -0.018 | 0.007 | 33.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 8 | PRO | 0 | 0.043 | 0.017 | 34.964 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 9 | GLY | 0 | 0.047 | 0.020 | 34.631 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 10 | THR | 0 | -0.013 | -0.008 | 33.842 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 11 | LEU | 0 | 0.014 | 0.000 | 32.049 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 12 | SER | 0 | 0.001 | -0.011 | 33.733 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 13 | LEU | 0 | -0.057 | -0.030 | 32.604 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 14 | SER | 0 | 0.043 | -0.001 | 34.092 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 15 | PRO | 0 | -0.005 | -0.013 | 30.618 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 16 | GLY | 0 | 0.001 | 0.006 | 30.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 17 | GLU | -1 | -0.842 | -0.897 | 32.400 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 18 | ARG | 1 | 0.974 | 0.990 | 32.082 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 19 | ALA | 0 | 0.016 | 0.006 | 29.968 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 20 | THR | 0 | -0.017 | -0.019 | 31.353 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 21 | LEU | 0 | 0.004 | 0.017 | 28.260 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 22 | SER | 0 | -0.008 | 0.002 | 31.719 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 88 | CYS | 0 | -0.064 | -0.018 | 24.871 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 24 | ARG | 1 | 0.834 | 0.906 | 33.017 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 25 | ALA | 0 | 0.014 | 0.008 | 34.171 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 26 | SER | 0 | -0.012 | 0.000 | 36.077 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 27 | GLN | 0 | -0.036 | -0.035 | 37.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 27 | SER | 0 | -0.026 | -0.020 | 36.596 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 28 | VAL | 0 | -0.001 | 0.001 | 30.350 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 29 | SER | 0 | 0.010 | -0.012 | 32.757 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 30 | SER | 0 | -0.009 | -0.012 | 29.672 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 31 | SER | 0 | 0.007 | 0.013 | 29.363 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 32 | TYR | 0 | -0.028 | 0.001 | 26.551 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 33 | LEU | 0 | -0.006 | -0.014 | 26.828 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 34 | ALA | 0 | -0.028 | -0.009 | 21.684 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 35 | TRP | 0 | 0.015 | -0.004 | 22.506 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 36 | TYR | 0 | 0.022 | -0.011 | 18.377 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 37 | GLN | 0 | -0.014 | -0.008 | 19.697 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 38 | GLN | 0 | 0.013 | -0.002 | 19.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 39 | LYS | 1 | 0.876 | 0.936 | 18.752 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 40 | PRO | 0 | 0.029 | -0.006 | 21.246 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 41 | GLY | 0 | 0.002 | 0.008 | 21.350 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 42 | GLN | 0 | -0.030 | -0.006 | 16.755 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 43 | ALA | 0 | 0.073 | 0.040 | 14.929 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 44 | PRO | 0 | -0.067 | -0.030 | 17.072 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 45 | ARG | 1 | 0.921 | 0.967 | 14.184 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 46 | LEU | 0 | -0.015 | -0.001 | 15.672 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 47 | LEU | 0 | -0.041 | -0.017 | 16.641 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 48 | ILE | 0 | -0.009 | -0.008 | 19.253 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 49 | TYR | 0 | 0.018 | 0.009 | 17.938 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 50 | GLY | 0 | 0.064 | 0.025 | 21.606 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 51 | ALA | 0 | -0.024 | -0.024 | 24.744 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 52 | SER | 0 | -0.063 | -0.027 | 25.277 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 53 | SER | 0 | -0.008 | 0.014 | 21.086 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 54 | ARG | 1 | 0.813 | 0.900 | 19.313 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 55 | ALA | 0 | 0.023 | 0.012 | 15.404 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 56 | THR | 0 | 0.027 | -0.011 | 10.489 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 57 | GLY | 0 | 0.002 | 0.008 | 12.754 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 58 | ILE | 0 | -0.081 | -0.015 | 13.697 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 59 | PRO | 0 | 0.016 | -0.004 | 16.828 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 60 | ASP | -1 | -0.778 | -0.905 | 19.628 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 61 | ARG | 1 | 0.714 | 0.854 | 21.541 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 62 | PHE | 0 | -0.001 | 0.012 | 20.877 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 63 | SER | 0 | -0.003 | -0.005 | 23.863 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 64 | GLY | 0 | 0.013 | 0.018 | 25.950 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 65 | SER | 0 | -0.014 | -0.009 | 27.384 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 66 | GLY | 0 | 0.056 | 0.018 | 30.646 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 67 | SER | 0 | 0.007 | -0.009 | 32.294 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 68 | GLY | 0 | 0.041 | 0.037 | 34.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 69 | THR | 0 | 0.014 | 0.004 | 35.386 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 70 | ASP | -1 | -0.841 | -0.891 | 36.183 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 71 | PHE | 0 | 0.018 | 0.016 | 30.762 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 72 | THR | 0 | -0.023 | -0.020 | 31.451 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 73 | LEU | 0 | -0.016 | 0.019 | 24.754 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 74 | THR | 0 | -0.038 | -0.038 | 28.441 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 75 | ILE | 0 | 0.005 | 0.007 | 25.661 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 76 | SER | 0 | -0.022 | -0.022 | 27.904 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 77 | ARG | 1 | 0.885 | 0.931 | 28.501 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 78 | LEU | 0 | 0.006 | 0.022 | 27.322 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 79 | GLU | -1 | -0.847 | -0.923 | 24.613 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 80 | PRO | 0 | -0.002 | -0.014 | 26.223 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 81 | GLU | -1 | -0.813 | -0.889 | 20.641 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 82 | ASP | -1 | -0.784 | -0.870 | 22.402 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 83 | PHE | 0 | 0.006 | 0.019 | 24.634 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 84 | ALA | 0 | -0.006 | 0.000 | 23.681 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 85 | VAL | 0 | -0.006 | 0.004 | 25.137 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 86 | TYR | 0 | -0.014 | -0.022 | 23.369 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 87 | TYR | 0 | -0.006 | 0.006 | 23.644 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 89 | GLN | 0 | 0.002 | -0.007 | 22.497 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 90 | GLN | 0 | 0.033 | 0.033 | 26.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 91 | TYR | 0 | 0.035 | 0.008 | 23.525 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 92 | GLY | 0 | 0.015 | 0.014 | 26.903 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 93 | SER | 0 | -0.048 | -0.025 | 29.881 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 94 | SER | 0 | -0.005 | 0.019 | 28.938 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 95 | PRO | 0 | 0.015 | -0.002 | 29.602 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 96 | ARG | 1 | 0.789 | 0.885 | 20.210 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 97 | THR | 0 | -0.030 | -0.018 | 27.596 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 98 | PHE | 0 | 0.000 | -0.016 | 22.481 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 99 | GLY | 0 | 0.020 | 0.023 | 28.281 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 100 | GLN | 0 | -0.040 | -0.035 | 29.639 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 101 | GLY | 0 | -0.003 | 0.006 | 29.023 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 102 | THR | 0 | -0.062 | -0.036 | 29.285 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 103 | LYS | 1 | 0.815 | 0.890 | 29.201 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 104 | VAL | 0 | -0.018 | -0.011 | 28.723 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 105 | GLU | -1 | -0.835 | -0.855 | 30.007 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 106 | ILE | 0 | 0.036 | 0.025 | 30.360 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 107 | LYS | 1 | 0.874 | 0.948 | 33.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 108 | ARG | 1 | 0.841 | 0.913 | 37.468 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 109 | THR | 0 | 0.012 | -0.001 | 39.918 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 110 | VAL | 0 | -0.004 | 0.018 | 43.317 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 111 | ALA | 0 | -0.006 | -0.006 | 43.660 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 112 | ALA | 0 | 0.033 | 0.016 | 45.609 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 113 | PRO | 0 | -0.025 | 0.005 | 45.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 114 | SER | 0 | 0.010 | 0.007 | 46.713 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 115 | VAL | 0 | -0.014 | -0.006 | 47.558 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 116 | PHE | 0 | -0.001 | -0.020 | 47.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 117 | ILE | 0 | -0.023 | -0.007 | 49.734 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 118 | PHE | 0 | -0.021 | -0.008 | 47.294 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 119 | PRO | 0 | 0.001 | -0.006 | 51.848 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 120 | PRO | 0 | -0.007 | 0.020 | 52.110 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 121 | SER | 0 | 0.025 | 0.013 | 51.508 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 122 | ASP | -1 | -0.760 | -0.890 | 53.395 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 123 | GLU | -1 | -0.907 | -0.946 | 50.831 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 124 | GLN | 0 | 0.017 | 0.014 | 49.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 125 | LEU | 0 | 0.003 | -0.004 | 52.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 126 | LYS | 1 | 0.915 | 0.966 | 55.028 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 127 | SER | 0 | -0.006 | 0.006 | 50.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 128 | GLY | 0 | 0.022 | 0.013 | 53.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 129 | THR | 0 | -0.040 | -0.014 | 49.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 130 | ALA | 0 | -0.010 | -0.003 | 52.927 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 131 | SER | 0 | -0.045 | -0.032 | 48.004 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 132 | VAL | 0 | -0.023 | 0.005 | 50.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 133 | VAL | 0 | 0.016 | 0.007 | 45.463 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 194 | CYS | 0 | -0.061 | -0.017 | 47.591 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 135 | LEU | 0 | -0.038 | 0.000 | 42.978 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 136 | LEU | 0 | 0.009 | 0.001 | 44.405 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 137 | ASN | 0 | -0.031 | -0.046 | 41.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 138 | ASN | 0 | 0.034 | -0.004 | 40.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 139 | PHE | 0 | -0.026 | 0.000 | 41.687 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 140 | TYR | 0 | 0.024 | -0.023 | 37.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 141 | PRO | 0 | 0.048 | 0.022 | 40.801 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 142 | ARG | 1 | 0.949 | 0.968 | 36.041 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 143 | GLU | -1 | -0.871 | -0.931 | 39.845 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 144 | ALA | 0 | -0.039 | -0.001 | 42.930 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 145 | LYS | 1 | 0.888 | 0.935 | 45.208 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 146 | VAL | 0 | 0.019 | 0.015 | 46.532 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 147 | GLN | 0 | 0.015 | 0.011 | 49.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 148 | TRP | 0 | 0.012 | -0.003 | 48.682 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 149 | LYS | 1 | 0.831 | 0.909 | 53.781 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 150 | VAL | 0 | 0.003 | 0.001 | 56.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 151 | ASP | -1 | -0.778 | -0.885 | 59.460 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 152 | ASN | 0 | -0.037 | -0.029 | 61.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 153 | ALA | 0 | 0.039 | 0.037 | 61.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 154 | LEU | 0 | -0.010 | -0.014 | 56.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 155 | GLN | 0 | -0.050 | -0.021 | 53.927 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 156 | SER | 0 | 0.007 | -0.007 | 51.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 157 | GLY | 0 | 0.015 | 0.015 | 49.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 158 | ASN | 0 | 0.011 | 0.003 | 49.343 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 159 | SER | 0 | -0.011 | -0.008 | 47.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 160 | GLN | 0 | -0.033 | -0.017 | 40.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 161 | GLU | -1 | -0.875 | -0.950 | 41.969 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 162 | SER | 0 | -0.019 | -0.013 | 36.922 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 163 | VAL | 0 | -0.023 | -0.012 | 36.602 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 164 | THR | 0 | -0.017 | -0.013 | 34.436 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 165 | GLU | -1 | -0.796 | -0.889 | 29.192 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 166 | GLN | 0 | -0.042 | -0.029 | 32.153 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 167 | ASP | -1 | -0.769 | -0.874 | 31.882 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 168 | SER | 0 | -0.027 | -0.019 | 29.929 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 169 | LYS | 1 | 0.792 | 0.888 | 31.647 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 170 | ASP | -1 | -0.762 | -0.845 | 34.885 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 171 | SER | 0 | -0.001 | 0.009 | 34.557 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 172 | THR | 0 | -0.099 | -0.061 | 35.992 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 173 | TYR | 0 | -0.033 | -0.049 | 34.228 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 174 | SER | 0 | 0.054 | 0.032 | 38.028 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 175 | LEU | 0 | -0.043 | -0.012 | 38.874 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 176 | SER | 0 | -0.004 | -0.007 | 41.142 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 177 | SER | 0 | 0.053 | 0.037 | 42.544 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 178 | THR | 0 | 0.001 | -0.015 | 43.772 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 179 | LEU | 0 | 0.003 | 0.023 | 46.342 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 180 | THR | 0 | -0.008 | -0.015 | 48.013 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 181 | LEU | 0 | 0.005 | 0.013 | 50.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 182 | SER | 0 | 0.064 | 0.033 | 53.399 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 183 | LYS | 1 | 0.858 | 0.895 | 55.579 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 184 | ALA | 0 | 0.039 | 0.012 | 57.868 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 185 | ASP | -1 | -0.833 | -0.910 | 58.200 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 186 | TYR | 0 | 0.046 | 0.015 | 56.945 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 187 | GLU | -1 | -0.843 | -0.916 | 58.952 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 188 | LYS | 1 | 0.854 | 0.935 | 62.225 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 189 | HIS | 1 | 0.809 | 0.922 | 60.320 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 190 | LYS | 1 | 0.933 | 0.965 | 63.476 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 191 | VAL | 0 | -0.006 | 0.001 | 61.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 192 | TYR | 0 | 0.007 | -0.004 | 56.240 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 193 | ALA | 0 | 0.030 | -0.003 | 56.550 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 195 | GLU | -1 | -0.835 | -0.911 | 53.597 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 196 | VAL | 0 | 0.040 | 0.009 | 48.732 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 197 | THR | 0 | -0.033 | -0.020 | 50.588 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 198 | HIS | 0 | 0.037 | -0.008 | 44.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 199 | GLN | 0 | 0.042 | 0.024 | 46.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 200 | GLY | 0 | 0.005 | -0.006 | 48.334 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 201 | LEU | 0 | -0.065 | -0.024 | 49.482 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 202 | SER | 0 | 0.023 | 0.011 | 52.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 203 | SER | 0 | -0.025 | -0.021 | 56.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 204 | PRO | 0 | -0.018 | -0.005 | 54.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 205 | VAL | 0 | 0.036 | 0.035 | 53.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 206 | THR | 0 | 0.009 | 0.005 | 54.179 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 207 | LYS | 1 | 0.856 | 0.938 | 53.139 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 208 | SER | 0 | 0.013 | -0.007 | 55.680 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 209 | PHE | 0 | -0.026 | -0.013 | 54.750 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 210 | ASN | 0 | 0.015 | 0.005 | 59.470 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 211 | ARG | 1 | 0.874 | 0.932 | 60.549 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 212 | GLY | 0 | -0.006 | -0.009 | 60.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 213 | GLU | -1 | -0.883 | -0.913 | 59.452 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 214 | CYS | 0 | 0.000 | 0.012 | 62.443 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | E | 334 | ASN | 0 | 0.035 | 0.024 | 59.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | E | 335 | LEU | 0 | 0.009 | -0.006 | 59.517 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | E | 361 | CYS | 0 | -0.042 | 0.007 | 54.442 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | E | 337 | PRO | 0 | 0.053 | 0.041 | 52.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | E | 338 | PHE | 0 | 0.018 | -0.012 | 50.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | E | 339 | GLY | 0 | 0.015 | 0.010 | 50.830 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | E | 340 | GLU | -1 | -0.878 | -0.943 | 49.968 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | E | 341 | VAL | 0 | -0.051 | -0.021 | 45.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | E | 342 | PHE | 0 | 0.007 | -0.014 | 46.319 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | E | 343 | ASN | 0 | -0.017 | -0.006 | 47.821 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | E | 344 | ALA | 0 | 0.010 | 0.030 | 45.487 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | E | 345 | THR | 0 | 0.039 | -0.001 | 45.857 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | E | 346 | ARG | 1 | 0.850 | 0.922 | 36.672 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | E | 347 | PHE | 0 | 0.057 | 0.046 | 39.519 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | E | 348 | ALA | 0 | 0.007 | 0.009 | 36.222 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | E | 349 | SER | 0 | 0.023 | -0.003 | 31.487 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | E | 350 | VAL | 0 | 0.006 | 0.020 | 30.518 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | E | 351 | TYR | 0 | 0.025 | 0.011 | 28.082 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | E | 352 | ALA | 0 | -0.047 | -0.016 | 30.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | E | 353 | TRP | 0 | -0.059 | 0.005 | 32.860 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | E | 354 | ASN | 0 | 0.022 | 0.016 | 35.776 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | E | 355 | ARG | 1 | 0.833 | 0.881 | 39.216 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | E | 356 | LYS | 1 | 0.860 | 0.942 | 41.818 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | E | 357 | ARG | 1 | 0.894 | 0.935 | 45.612 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | E | 358 | ILE | 0 | -0.031 | -0.015 | 47.953 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | E | 359 | SER | 0 | 0.066 | 0.017 | 51.140 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | E | 360 | ASN | 0 | -0.037 | -0.022 | 54.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | E | 362 | VAL | 0 | 0.024 | 0.017 | 58.417 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | E | 363 | ALA | 0 | 0.010 | -0.015 | 55.812 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | E | 364 | ASP | -1 | -0.849 | -0.909 | 57.719 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | E | 365 | TYR | 0 | 0.053 | -0.006 | 52.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | E | 366 | SER | 0 | 0.012 | 0.008 | 55.795 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | E | 367 | VAL | 0 | -0.016 | -0.014 | 56.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | E | 368 | LEU | 0 | -0.053 | -0.010 | 51.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | E | 369 | TYR | 0 | 0.007 | -0.008 | 52.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | E | 370 | ASN | 0 | -0.097 | -0.051 | 54.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | E | 371 | SER | 0 | 0.065 | 0.052 | 53.052 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | E | 372 | ALA | 0 | -0.005 | -0.004 | 53.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | E | 373 | SER | 0 | -0.051 | -0.029 | 51.381 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | E | 374 | PHE | 0 | -0.027 | -0.008 | 48.122 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | E | 375 | SER | 0 | 0.054 | 0.024 | 44.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | E | 376 | THR | 0 | -0.101 | -0.059 | 42.956 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | E | 377 | PHE | 0 | 0.075 | 0.034 | 46.018 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | E | 378 | LYS | 1 | 0.929 | 0.981 | 42.151 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | E | 432 | CYS | 0 | -0.079 | -0.019 | 46.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | E | 380 | TYR | 0 | 0.030 | 0.006 | 42.524 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | E | 381 | GLY | 0 | 0.060 | 0.030 | 47.427 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | E | 382 | VAL | 0 | -0.016 | -0.006 | 49.560 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | E | 383 | SER | 0 | -0.053 | -0.046 | 51.798 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | E | 384 | PRO | 0 | 0.019 | 0.009 | 52.450 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | E | 385 | THR | 0 | 0.010 | 0.002 | 54.093 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | E | 386 | LYS | 1 | 0.971 | 0.986 | 57.672 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | E | 387 | LEU | 0 | 0.038 | 0.021 | 52.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | E | 388 | ASN | 0 | -0.009 | -0.022 | 56.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | E | 389 | ASP | -1 | -0.893 | -0.936 | 59.451 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | E | 390 | LEU | 0 | -0.042 | -0.004 | 56.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | E | 391 | CYS | 0 | -0.035 | -0.024 | 57.617 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | E | 392 | PHE | 0 | -0.011 | -0.011 | 52.553 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | E | 393 | THR | 0 | -0.012 | -0.029 | 51.476 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | E | 394 | ASN | 0 | -0.071 | -0.052 | 49.423 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | E | 395 | VAL | 0 | 0.022 | 0.020 | 49.347 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | E | 396 | TYR | 0 | -0.080 | -0.052 | 44.303 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | E | 397 | ALA | 0 | 0.033 | 0.019 | 45.446 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | E | 398 | ASP | -1 | -0.728 | -0.803 | 39.704 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | E | 399 | SER | 0 | 0.006 | -0.008 | 40.397 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | E | 400 | PHE | 0 | -0.036 | -0.020 | 35.773 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | E | 401 | VAL | 0 | 0.005 | 0.007 | 35.815 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | E | 402 | ILE | 0 | -0.016 | -0.001 | 33.021 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | E | 403 | ARG | 1 | 0.831 | 0.898 | 28.693 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | E | 404 | GLY | 0 | 0.052 | 0.031 | 35.050 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | E | 405 | ASP | -1 | -0.849 | -0.927 | 33.300 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | E | 406 | GLU | -1 | -0.852 | -0.912 | 29.837 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | E | 407 | VAL | 0 | 0.027 | 0.019 | 34.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | E | 408 | ARG | 1 | 0.831 | 0.914 | 34.306 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | E | 409 | GLN | 0 | 0.029 | 0.003 | 30.111 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | E | 410 | ILE | 0 | -0.023 | 0.003 | 35.058 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | E | 411 | ALA | 0 | 0.006 | -0.017 | 37.409 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | E | 412 | PRO | 0 | 0.044 | 0.038 | 37.562 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | E | 413 | GLY | 0 | 0.040 | 0.019 | 36.151 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | E | 414 | GLN | 0 | -0.094 | -0.014 | 34.350 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | E | 415 | THR | 0 | -0.007 | -0.007 | 28.996 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | E | 416 | GLY | 0 | 0.015 | -0.002 | 27.764 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | E | 417 | LYS | 1 | 0.819 | 0.916 | 22.843 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | E | 418 | ILE | 0 | -0.016 | 0.010 | 26.722 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | E | 419 | ALA | 0 | 0.040 | 0.024 | 29.958 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | E | 420 | ASP | -1 | -0.783 | -0.878 | 26.589 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | E | 421 | TYR | 0 | -0.043 | -0.017 | 20.919 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | E | 422 | ASN | 0 | -0.034 | -0.017 | 26.597 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | E | 423 | TYR | 0 | 0.013 | -0.043 | 29.622 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | E | 424 | LYS | 1 | 0.895 | 0.979 | 30.961 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | E | 425 | LEU | 0 | 0.003 | 0.011 | 33.951 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | E | 426 | PRO | 0 | -0.015 | -0.005 | 36.583 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | E | 427 | ASP | -1 | -0.854 | -0.961 | 36.926 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | E | 428 | ASP | -1 | -0.949 | -0.968 | 39.823 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | E | 429 | PHE | 0 | -0.060 | -0.027 | 41.637 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | E | 430 | THR | 0 | 0.023 | 0.019 | 43.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | E | 431 | GLY | 0 | 0.023 | -0.002 | 46.329 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | E | 433 | VAL | 0 | -0.017 | 0.000 | 41.158 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | E | 434 | ILE | 0 | -0.007 | 0.004 | 44.197 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | E | 435 | ALA | 0 | 0.005 | -0.008 | 41.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | E | 436 | TRP | 0 | -0.003 | -0.001 | 43.716 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | E | 437 | ASN | 0 | -0.013 | 0.001 | 42.488 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | E | 438 | SER | 0 | 0.020 | -0.019 | 41.374 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | E | 439 | ASN | 0 | 0.034 | 0.024 | 40.810 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | E | 440 | ASN | 0 | 0.001 | -0.005 | 42.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | E | 441 | LEU | 0 | -0.025 | -0.001 | 43.768 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | E | 442 | ASP | -1 | -0.759 | -0.805 | 38.723 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | E | 443 | SER | 0 | 0.010 | -0.012 | 38.218 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | E | 444 | LYS | 1 | 0.898 | 0.953 | 37.662 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | E | 445 | VAL | 0 | 0.037 | 0.011 | 38.608 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | E | 446 | GLY | 0 | 0.033 | 0.026 | 36.330 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | E | 447 | GLY | 0 | 0.002 | 0.013 | 34.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | E | 448 | ASN | 0 | -0.087 | -0.059 | 35.224 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | E | 449 | TYR | 0 | 0.039 | 0.008 | 29.508 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | E | 450 | ASN | 0 | -0.055 | -0.030 | 31.028 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | E | 451 | TYR | 0 | -0.047 | -0.037 | 32.854 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | E | 452 | LEU | 0 | 0.006 | -0.003 | 27.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | E | 453 | TYR | -1 | -0.724 | -0.846 | 24.515 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | E | 454 | ARG | 1 | 0.809 | 0.876 | 22.895 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | E | 455 | LEU | 0 | -0.020 | 0.010 | 19.610 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | E | 456 | PHE | 0 | -0.001 | 0.000 | 15.920 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | E | 457 | ARG | 1 | 0.774 | 0.863 | 19.560 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | E | 458 | LYS | 1 | 0.879 | 0.944 | 14.852 | 0.481 | 0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | E | 459 | SER | 0 | -0.006 | -0.008 | 19.468 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | E | 460 | ASN | 0 | 0.043 | 0.010 | 22.837 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | E | 461 | LEU | 0 | -0.085 | -0.011 | 26.098 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | E | 462 | LYS | 1 | 0.910 | 0.949 | 28.762 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | E | 463 | PRO | 0 | 0.031 | -0.004 | 32.099 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | E | 464 | PHE | 0 | -0.021 | -0.010 | 35.446 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | E | 465 | GLU | -1 | -0.802 | -0.880 | 28.644 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | E | 466 | ARG | 1 | 0.860 | 0.904 | 32.310 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | E | 467 | ASP | -1 | -0.786 | -0.872 | 25.668 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | E | 468 | ILE | 0 | 0.016 | 0.009 | 28.412 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | E | 469 | SER | 0 | 0.022 | 0.020 | 23.811 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | E | 470 | THR | 0 | -0.010 | -0.016 | 23.536 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | E | 471 | GLU | -1 | -0.934 | -0.952 | 18.978 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | E | 472 | ILE | 0 | -0.038 | -0.017 | 14.758 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | E | 473 | TYR | 0 | -0.035 | -0.041 | 14.685 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | E | 474 | GLN | 0 | 0.011 | -0.012 | 9.543 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | E | 475 | ALA | 0 | -0.016 | -0.006 | 10.687 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | E | 476 | GLY | 0 | 0.015 | 0.004 | 7.001 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | E | 477 | SER | 0 | -0.042 | -0.032 | 3.969 | -0.500 | -0.363 | 0.000 | -0.023 | -0.114 | 0.000 |
573 | E | 478 | THR | 0 | -0.013 | 0.002 | 4.466 | 0.176 | 0.320 | -0.001 | -0.006 | -0.137 | 0.000 |
574 | E | 479 | PRO | 0 | 0.026 | 0.014 | 7.124 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | E | 488 | CYS | 0 | 0.039 | 0.039 | 9.034 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | E | 481 | ASN | 0 | -0.038 | -0.017 | 11.861 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | E | 482 | GLY | 0 | 0.030 | 0.023 | 15.394 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | E | 483 | VAL | 0 | -0.041 | -0.014 | 13.615 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | E | 484 | GLU | -1 | -0.836 | -0.925 | 13.724 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | E | 485 | GLY | 0 | 0.008 | -0.013 | 11.216 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | E | 486 | PHE | 0 | -0.053 | -0.028 | 3.611 | -0.301 | -0.095 | 0.003 | -0.033 | -0.176 | 0.000 |
582 | E | 487 | ASN | 0 | -0.032 | -0.026 | 5.474 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | E | 489 | TYR | 0 | 0.061 | 0.043 | 10.799 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | E | 490 | PHE | 0 | 0.068 | 0.026 | 15.168 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | E | 491 | PRO | 0 | -0.049 | -0.013 | 18.903 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | E | 492 | LEU | 0 | -0.053 | -0.023 | 20.286 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | E | 493 | GLN | 0 | 0.013 | 0.011 | 22.534 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | E | 494 | SER | 0 | -0.022 | -0.030 | 24.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | E | 495 | TYR | 0 | -0.006 | -0.021 | 27.329 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | E | 496 | GLY | 0 | 0.040 | 0.021 | 29.803 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | E | 497 | PHE | 0 | -0.024 | -0.011 | 31.455 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | E | 498 | GLN | 0 | 0.054 | 0.011 | 32.349 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | E | 499 | PRO | 0 | -0.004 | 0.003 | 36.814 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | E | 500 | THR | 0 | 0.003 | -0.004 | 37.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | E | 501 | ASN | 0 | 0.010 | 0.024 | 33.998 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | E | 502 | GLY | 0 | 0.048 | 0.023 | 36.978 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | E | 503 | VAL | 0 | 0.016 | -0.008 | 37.835 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | E | 504 | GLY | 0 | 0.040 | 0.036 | 36.720 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | E | 505 | TYR | 0 | -0.034 | -0.034 | 29.261 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | E | 506 | GLN | 0 | -0.018 | -0.004 | 35.038 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | E | 507 | PRO | 0 | -0.004 | 0.000 | 37.083 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | E | 508 | TYR | 0 | 0.004 | -0.002 | 37.974 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | E | 509 | ARG | 1 | 0.777 | 0.882 | 38.860 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | E | 510 | VAL | 0 | -0.007 | -0.011 | 38.427 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | E | 511 | VAL | 0 | 0.003 | -0.013 | 41.245 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | E | 512 | VAL | 0 | -0.031 | -0.009 | 39.932 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | E | 513 | LEU | 0 | -0.007 | 0.007 | 43.243 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | E | 514 | SER | 0 | 0.019 | 0.002 | 43.385 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | E | 515 | PHE | 0 | 0.006 | -0.003 | 45.764 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | E | 516 | GLU | -1 | -0.738 | -0.807 | 47.938 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | E | 517 | LEU | 0 | -0.005 | 0.002 | 49.663 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |