FMODB ID: 1J19Z
Calculation Name: 5RLE-B-Xray89
Preferred Name:
Target Type:
Ligand Name: phosphate ion
ligand 3-letter code: PO4
PDB ID: 5RLE
Chain ID: B
Base Structure: X-ray
Registration Date: 2021-02-01
Reference: T. Ohyama, K. Kamisaka, C. Watanabe, T. Honma et. al., FMO-based interaction energy analysis of SARS-Cov-2 related protein and ligand complexes, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHLSideSolv |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | Waters within average of the temperature factors of receptor. |
Procedure | Auto-FMO protocol ver. 1.20200406 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 816 |
LigandCharge | CYM=-1 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -13945070.975524 |
---|---|
FMO2-HF: Nuclear repulsion | 13694877.54947 |
FMO2-HF: Total energy | -250193.426053 |
FMO2-MP2: Total energy | -250903.922297 |
3D Structure
Ligand structure
VVP
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-29.695 | -35.299 | 24.364 | -11.215 | -7.543 | -0.008 |
Interactive mode: IFIE and PIEDA for fragment #701(B:924:HOH )
Summations of interaction energy for
fragment #701(B:924:HOH )
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. |
-29.695 | -35.299 | 24.364 | -11.215 | -7.543 | 0.008 |
Interaction energy analysis for fragmet #701(B:924:HOH )
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]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | B | 2 | VAL | 0 | -0.041 | -0.034 | 44.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
2 | B | 3 | GLY | 0 | 0.028 | 0.027 | 40.851 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
3 | B | 4 | ALA | 0 | 0.025 | 0.017 | 36.748 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
4 | B | 5 | CYM | -1 | -0.815 | -0.797 | 37.977 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | VAL | 0 | -0.039 | -0.028 | 34.673 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | LEU | 0 | 0.007 | -0.027 | 34.312 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | CYS | 0 | -0.028 | -0.014 | 35.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASN | 0 | -0.052 | -0.019 | 34.690 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | SER | 0 | -0.003 | -0.020 | 36.694 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | GLN | 0 | 0.033 | 0.036 | 40.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | THR | 0 | -0.011 | -0.010 | 42.189 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | SER | 0 | 0.004 | -0.019 | 44.336 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | LEU | 0 | -0.049 | -0.005 | 45.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | ARG | 1 | 0.917 | 0.964 | 42.729 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | CYS | 0 | -0.021 | 0.023 | 42.711 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | GLY | 0 | -0.001 | -0.028 | 44.105 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | 0.009 | 0.000 | 46.057 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | CYS | 0 | -0.042 | 0.003 | 40.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | ILE | 0 | -0.004 | 0.003 | 38.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ARG | 1 | 0.783 | 0.872 | 35.903 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.877 | 0.959 | 39.375 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | PRO | 0 | 0.040 | 0.039 | 37.641 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | PHE | 0 | 0.032 | 0.003 | 39.234 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | LEU | 0 | 0.009 | 0.014 | 39.275 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | CYS | 0 | 0.012 | -0.039 | 40.941 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | CYS | 0 | -0.037 | -0.030 | 43.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.932 | 0.945 | 44.015 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | CYS | 0 | 0.051 | 0.035 | 39.458 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | CYS | 0 | -0.044 | -0.023 | 42.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | TYR | 0 | 0.008 | 0.022 | 44.763 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ASP | -1 | -0.778 | -0.879 | 43.253 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | HIS | 0 | -0.011 | 0.023 | 41.906 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | VAL | 0 | -0.015 | -0.001 | 43.899 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | ILE | 0 | -0.043 | -0.017 | 47.179 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | SER | 0 | -0.040 | -0.025 | 44.149 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | THR | 0 | 0.000 | 0.000 | 42.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | SER | 0 | 0.041 | 0.023 | 45.665 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | HIS | 0 | -0.031 | -0.019 | 42.248 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | LYS | 1 | 0.873 | 0.939 | 47.089 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | LEU | 0 | -0.025 | 0.009 | 49.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | VAL | 0 | 0.015 | 0.005 | 47.888 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | LEU | 0 | -0.035 | -0.022 | 46.490 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | SER | 0 | 0.022 | -0.007 | 48.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | VAL | 0 | -0.006 | 0.005 | 49.836 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 46 | ASN | 0 | 0.027 | 0.018 | 52.034 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PRO | 0 | -0.047 | -0.029 | 52.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | TYR | 0 | -0.068 | -0.048 | 51.706 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | VAL | 0 | 0.048 | 0.023 | 54.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | CYS | 0 | -0.105 | -0.040 | 57.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ASN | 0 | 0.029 | -0.003 | 59.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | 0.015 | 0.017 | 62.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | PRO | 0 | 0.025 | -0.006 | 65.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | GLY | 0 | -0.006 | 0.005 | 65.788 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | CYS | 0 | -0.029 | 0.015 | 63.944 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ASP | -1 | -0.842 | -0.913 | 60.286 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | VAL | 0 | 0.017 | 0.022 | 59.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | THR | 0 | 0.010 | -0.020 | 54.362 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ASP | -1 | -0.741 | -0.820 | 53.724 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | VAL | 0 | 0.053 | 0.004 | 50.557 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | THR | 0 | -0.037 | -0.056 | 52.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLN | 0 | -0.107 | -0.037 | 55.226 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | 0.038 | 0.030 | 55.847 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | TYR | 0 | -0.001 | -0.009 | 58.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | LEU | 0 | -0.011 | 0.004 | 57.712 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | 0.007 | -0.002 | 60.792 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | GLY | 0 | 0.005 | 0.008 | 63.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | MET | 0 | -0.025 | -0.025 | 59.396 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | SER | 0 | -0.012 | 0.009 | 60.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | TYR | 0 | 0.024 | 0.009 | 55.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | TYR | 0 | 0.019 | 0.007 | 60.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | CYS | 0 | 0.023 | 0.029 | 61.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | LYS | 1 | 0.933 | 0.935 | 61.962 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | -0.014 | -0.014 | 65.119 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | HIS | 0 | 0.044 | 0.000 | 65.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | LYS | 1 | 0.859 | 0.964 | 64.652 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | PRO | 0 | 0.052 | 0.044 | 65.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | PRO | 0 | 0.020 | -0.001 | 68.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | ILE | 0 | 0.015 | 0.020 | 66.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | SER | 0 | 0.002 | -0.008 | 63.805 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | PHE | 0 | 0.029 | 0.039 | 57.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | PRO | 0 | 0.003 | 0.005 | 58.241 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | LEU | 0 | 0.007 | 0.010 | 54.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | CYS | 0 | -0.030 | 0.019 | 52.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | ALA | 0 | 0.052 | 0.021 | 53.717 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | ASN | 0 | -0.011 | -0.003 | 53.640 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | GLY | 0 | 0.051 | 0.039 | 49.815 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLN | 0 | -0.004 | -0.001 | 48.369 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | VAL | 0 | 0.039 | 0.025 | 48.762 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | PHE | 0 | -0.005 | -0.012 | 50.174 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | GLY | 0 | 0.088 | 0.044 | 49.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | LEU | 0 | -0.016 | -0.009 | 49.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 93 | TYR | 0 | 0.006 | -0.006 | 46.400 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 94 | LYS | 1 | 1.031 | 1.015 | 47.231 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | ASN | 0 | -0.033 | -0.006 | 49.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | THR | 0 | -0.004 | -0.001 | 44.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | CYS | 0 | -0.047 | -0.015 | 43.588 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | VAL | 0 | 0.002 | 0.009 | 38.848 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | GLY | 0 | 0.039 | 0.014 | 41.152 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | SER | 0 | 0.020 | -0.020 | 36.830 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | ASP | -1 | -0.876 | -0.936 | 36.219 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | ASN | 0 | 0.009 | 0.006 | 33.781 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | VAL | 0 | -0.006 | 0.001 | 35.821 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | THR | 0 | 0.002 | -0.008 | 36.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | ASP | -1 | -0.837 | -0.906 | 31.453 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | PHE | 0 | 0.008 | -0.010 | 34.520 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | ASN | 0 | 0.020 | 0.001 | 35.852 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | ALA | 0 | 0.053 | 0.048 | 35.555 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ILE | 0 | -0.001 | 0.009 | 31.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ALA | 0 | -0.028 | -0.013 | 35.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | -0.013 | -0.010 | 38.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | CYS | 0 | 0.001 | 0.046 | 35.638 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | ASP | -1 | -0.768 | -0.813 | 38.308 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | TRP | 0 | -0.023 | -0.024 | 30.720 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | THR | 0 | 0.028 | 0.006 | 34.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | ASN | 0 | -0.021 | 0.019 | 34.723 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 117 | ALA | 0 | 0.073 | 0.026 | 29.530 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | GLY | 0 | 0.010 | -0.009 | 29.719 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | ASP | -1 | -0.785 | -0.863 | 31.038 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 120 | TYR | 0 | -0.018 | -0.045 | 27.222 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | ILE | 0 | -0.008 | 0.010 | 25.938 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | LEU | 0 | 0.054 | 0.046 | 26.256 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 123 | ALA | 0 | 0.018 | 0.008 | 28.007 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | ASN | 0 | -0.014 | -0.013 | 20.872 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | THR | 0 | 0.019 | 0.009 | 23.118 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | CYS | 0 | -0.071 | -0.006 | 25.028 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | THR | 0 | 0.060 | 0.018 | 25.656 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | GLU | -1 | -0.691 | -0.824 | 22.551 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | ARG | 1 | 0.850 | 0.899 | 25.775 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | LEU | 0 | 0.045 | 0.013 | 29.204 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LYS | 1 | 0.851 | 0.945 | 21.061 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | -0.020 | -0.009 | 25.753 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | PHE | 0 | 0.026 | 0.015 | 28.712 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | ALA | 0 | 0.024 | 0.005 | 29.297 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | ALA | 0 | 0.006 | 0.008 | 27.419 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | GLU | -1 | -0.713 | -0.813 | 29.475 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | THR | 0 | -0.006 | -0.007 | 32.740 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | LEU | 0 | -0.042 | 0.032 | 29.271 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | LYS | 1 | 0.937 | 0.977 | 28.406 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | ALA | 0 | -0.006 | -0.005 | 33.246 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | THR | 0 | -0.002 | -0.023 | 36.392 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | GLU | -1 | -0.717 | -0.788 | 31.667 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | GLU | -1 | -0.812 | -0.907 | 35.867 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | THR | 0 | -0.010 | -0.020 | 38.271 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | PHE | 0 | -0.011 | 0.006 | 38.858 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LYS | 1 | 0.861 | 0.937 | 37.035 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LEU | 0 | 0.001 | 0.009 | 41.352 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | SER | 0 | -0.063 | -0.038 | 43.665 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | TYR | 0 | 0.013 | 0.015 | 40.261 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | GLY | 0 | 0.013 | 0.011 | 46.271 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | ILE | 0 | -0.027 | -0.023 | 48.484 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | -0.018 | -0.004 | 48.536 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | THR | 0 | 0.010 | 0.003 | 50.463 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | VAL | 0 | 0.002 | 0.008 | 52.394 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | ARG | 1 | 0.888 | 0.935 | 54.557 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | GLU | -1 | -0.848 | -0.932 | 56.859 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | VAL | 0 | -0.018 | -0.010 | 54.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | LEU | 0 | -0.040 | -0.015 | 54.775 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | SER | 0 | 0.045 | 0.023 | 53.335 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ASP | -1 | -0.819 | -0.890 | 50.830 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ARG | 1 | 0.785 | 0.861 | 46.119 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | GLU | -1 | -0.903 | -0.960 | 48.560 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | LEU | 0 | -0.033 | -0.006 | 49.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | HIS | 0 | 0.071 | 0.043 | 52.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | LEU | 0 | -0.044 | -0.015 | 48.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | SER | 0 | -0.026 | -0.011 | 53.376 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | TRP | 0 | -0.008 | -0.021 | 46.303 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | GLU | -1 | -0.754 | -0.847 | 51.748 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | VAL | 0 | 0.029 | 0.016 | 53.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | GLY | 0 | 0.016 | 0.014 | 54.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | LYS | 1 | 0.825 | 0.913 | 48.736 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | PRO | 0 | 0.020 | 0.020 | 46.834 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ARG | 1 | 0.918 | 0.947 | 47.526 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | PRO | 0 | 0.001 | 0.013 | 42.191 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | PRO | 0 | -0.045 | -0.018 | 39.714 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LEU | 0 | -0.020 | -0.006 | 41.186 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ASN | 0 | 0.005 | -0.012 | 36.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | ARG | 1 | 0.883 | 0.915 | 35.101 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.053 | -0.013 | 31.762 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | TYR | 0 | 0.006 | 0.004 | 34.664 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | VAL | 0 | 0.000 | 0.005 | 35.712 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | PHE | 0 | -0.019 | -0.014 | 38.628 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | THR | 0 | 0.045 | 0.020 | 41.717 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | GLY | 0 | -0.010 | -0.011 | 43.952 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | TYR | 0 | -0.043 | -0.041 | 45.364 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | ARG | 1 | 0.821 | 0.895 | 50.208 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | VAL | 0 | -0.004 | -0.026 | 53.876 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | THR | 0 | -0.055 | -0.032 | 55.283 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LYS | 1 | 0.973 | 0.962 | 58.108 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASN | 0 | 0.011 | 0.005 | 59.596 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | SER | 0 | 0.022 | 0.025 | 54.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LYS | 1 | 0.924 | 0.996 | 50.076 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | VAL | 0 | 0.025 | 0.017 | 50.777 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | GLN | 0 | 0.031 | 0.005 | 43.426 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | ILE | 0 | -0.004 | 0.025 | 47.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | GLY | 0 | 0.039 | 0.017 | 43.653 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.873 | -0.946 | 37.712 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | TYR | 0 | -0.030 | -0.018 | 41.749 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | THR | 0 | -0.034 | -0.002 | 37.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | PHE | 0 | 0.018 | -0.004 | 41.117 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.819 | -0.909 | 39.705 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.942 | 0.979 | 43.753 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | GLY | 0 | 0.057 | 0.032 | 46.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | NME | 0 | -0.053 | -0.009 | 49.602 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | ACE | 0 | -0.028 | -0.025 | 54.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ALA | 0 | 0.053 | 0.022 | 53.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | VAL | 0 | -0.083 | -0.040 | 48.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | VAL | 0 | 0.080 | 0.052 | 45.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | TYR | 0 | -0.002 | 0.001 | 45.221 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | ARG | 1 | 0.913 | 0.960 | 38.539 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | GLY | 0 | 0.010 | -0.011 | 41.441 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | THR | 0 | -0.047 | -0.026 | 38.253 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | THR | 0 | 0.044 | 0.044 | 40.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | THR | 0 | 0.017 | 0.013 | 43.811 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | TYR | 0 | 0.009 | -0.006 | 46.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | LYS | 1 | 0.858 | 0.930 | 50.002 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | LEU | 0 | -0.025 | -0.011 | 48.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | ASN | 0 | 0.018 | 0.005 | 53.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | VAL | 0 | 0.029 | 0.000 | 55.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | GLY | 0 | 0.003 | 0.010 | 56.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | ASP | -1 | -0.760 | -0.839 | 52.291 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | TYR | 0 | 0.009 | 0.006 | 49.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | PHE | 0 | -0.021 | -0.013 | 46.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | VAL | 0 | 0.005 | -0.007 | 44.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | LEU | 0 | -0.013 | -0.004 | 39.816 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | THR | 0 | 0.019 | 0.011 | 38.985 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | SER | 0 | -0.062 | -0.012 | 38.661 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | HIS | 0 | 0.025 | 0.015 | 36.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | 0.000 | -0.004 | 38.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | VAL | 0 | -0.011 | 0.008 | 33.503 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | MET | 0 | 0.030 | 0.018 | 33.705 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | PRO | 0 | 0.020 | 0.018 | 33.449 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | LEU | 0 | -0.059 | -0.001 | 27.840 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | SER | 0 | 0.001 | 0.008 | 29.936 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ALA | 0 | 0.000 | 0.014 | 25.170 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | PRO | 0 | 0.051 | 0.036 | 22.507 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | THR | 0 | -0.036 | -0.032 | 21.173 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | LEU | 0 | -0.020 | -0.002 | 15.530 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | VAL | 0 | 0.038 | 0.035 | 17.547 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | PRO | 0 | 0.004 | -0.006 | 17.888 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | GLN | 0 | 0.009 | -0.009 | 11.070 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLU | -1 | -0.825 | -0.861 | 14.807 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | HIS | 0 | 0.015 | 0.011 | 9.247 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | TYR | 0 | -0.067 | -0.051 | 12.854 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | VAL | 0 | 0.027 | 0.010 | 13.158 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | ARG | 1 | 0.955 | 0.976 | 14.941 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | ILE | 0 | 0.018 | 0.022 | 11.834 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | THR | 0 | 0.007 | 0.019 | 14.443 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | GLY | 0 | -0.025 | -0.002 | 16.842 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | LEU | 0 | 0.019 | 0.027 | 13.662 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | TYR | 0 | 0.017 | -0.003 | 17.467 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | PRO | 0 | -0.009 | 0.014 | 14.552 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | THR | 0 | -0.013 | 0.002 | 16.468 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | LEU | 0 | 0.027 | 0.020 | 17.493 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASN | 0 | -0.035 | -0.012 | 19.282 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | ILE | 0 | 0.035 | 0.027 | 14.583 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | SER | 0 | 0.021 | 0.001 | 17.853 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | ASP | -1 | -0.891 | -0.953 | 16.545 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | GLU | -1 | -0.771 | -0.853 | 16.399 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | PHE | 0 | -0.052 | -0.034 | 13.248 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | SER | 0 | 0.054 | 0.034 | 11.757 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | SER | 0 | 0.041 | 0.025 | 10.016 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ASN | 0 | -0.068 | -0.032 | 7.174 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 266 | VAL | 0 | 0.072 | 0.055 | 7.554 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 267 | ALA | 0 | -0.002 | 0.004 | 5.601 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 268 | ASN | 0 | 0.043 | -0.004 | 1.823 | -9.886 | -13.772 | 8.717 | -2.848 | -1.983 | -0.032 |
266 | B | 269 | TYR | 0 | 0.025 | 0.009 | 4.472 | -0.111 | -0.065 | -0.001 | -0.017 | -0.028 | 0.000 |
267 | B | 270 | GLN | 0 | -0.001 | 0.026 | 7.687 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | LYS | 1 | 0.885 | 0.933 | 3.046 | 3.205 | 3.797 | 0.066 | -0.300 | -0.357 | 0.001 |
269 | B | 272 | VAL | 0 | 0.001 | 0.010 | 6.490 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.040 | 0.019 | 8.742 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | MET | 0 | -0.064 | -0.033 | 9.479 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | GLN | 0 | 0.050 | 0.017 | 7.335 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | LYS | 1 | 0.792 | 0.925 | 11.595 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | TYR | 0 | 0.026 | 0.008 | 11.767 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | SER | 0 | -0.002 | 0.009 | 7.289 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | THR | 0 | -0.022 | -0.023 | 7.741 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | LEU | 0 | -0.022 | -0.016 | 6.085 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | GLN | 0 | -0.004 | -0.024 | 7.328 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | GLY | 0 | 0.001 | -0.022 | 8.866 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | PRO | 0 | 0.002 | 0.020 | 11.008 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | -0.005 | 0.008 | 14.154 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | GLY | 0 | 0.046 | 0.024 | 16.904 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | THR | 0 | -0.052 | -0.030 | 11.728 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLY | 0 | -0.001 | 0.007 | 12.208 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | LYS | 1 | 0.887 | 0.972 | 11.884 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | SER | 0 | 0.060 | 0.009 | 13.053 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | HIS | 0 | -0.020 | -0.004 | 13.655 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | PHE | 0 | 0.013 | 0.003 | 6.576 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | ALA | 0 | 0.027 | 0.004 | 11.538 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ILE | 0 | -0.009 | 0.006 | 13.651 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | GLY | 0 | 0.062 | 0.025 | 13.710 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | LEU | 0 | -0.046 | -0.019 | 10.426 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ALA | 0 | -0.005 | 0.000 | 13.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | LEU | 0 | 0.010 | 0.016 | 16.484 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 298 | TYR | 0 | -0.004 | -0.004 | 12.009 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 299 | TYR | 0 | -0.006 | -0.034 | 10.758 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 300 | PRO | 0 | 0.042 | 0.044 | 16.676 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | SER | 0 | 0.017 | 0.012 | 20.051 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | ALA | 0 | -0.077 | -0.020 | 18.116 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | ARG | 1 | 0.858 | 0.926 | 20.036 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | ILE | 0 | -0.023 | -0.012 | 15.793 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | 0.018 | 0.014 | 19.675 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | TYR | 0 | -0.041 | -0.035 | 16.043 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | THR | 0 | 0.001 | -0.014 | 19.419 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ALA | 0 | 0.028 | 0.003 | 19.591 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 309 | CYS | 0 | -0.040 | -0.011 | 21.669 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 310 | SER | 0 | -0.013 | -0.019 | 24.268 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 311 | HIS | 0 | 0.132 | 0.040 | 25.463 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 312 | ALA | 0 | -0.001 | 0.016 | 26.532 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | ALA | 0 | 0.041 | 0.029 | 21.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 314 | VAL | 0 | 0.031 | 0.014 | 22.004 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 315 | ASP | -1 | -0.746 | -0.863 | 23.763 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | ALA | 0 | 0.015 | 0.009 | 22.249 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.046 | -0.011 | 17.244 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | CYS | 0 | -0.018 | 0.000 | 20.950 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | GLU | -1 | -0.776 | -0.869 | 24.192 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | LYS | 1 | 0.828 | 0.928 | 17.488 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ALA | 0 | 0.010 | -0.009 | 21.463 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | LEU | 0 | -0.005 | 0.009 | 22.254 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | LYS | 1 | 0.871 | 0.950 | 21.954 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | TYR | 0 | -0.081 | -0.061 | 19.980 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | LEU | 0 | -0.004 | 0.005 | 19.380 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | PRO | 0 | 0.039 | 0.021 | 23.290 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | ILE | 0 | 0.081 | 0.037 | 26.828 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ASP | -1 | -0.885 | -0.925 | 28.976 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | LYS | 1 | 0.889 | 0.935 | 26.236 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | CYS | 0 | -0.047 | -0.002 | 25.412 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | SER | 0 | -0.046 | -0.040 | 27.019 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | ARG | 1 | 0.825 | 0.903 | 27.517 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | ILE | 0 | -0.036 | -0.031 | 28.292 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | ILE | 0 | 0.034 | 0.011 | 30.299 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | PRO | 0 | -0.030 | -0.005 | 31.851 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | ALA | 0 | -0.006 | -0.006 | 34.704 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 337 | NME | 0 | 0.001 | 0.007 | 38.256 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | ACE | 0 | 0.000 | -0.012 | 40.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | VAL | 0 | -0.039 | -0.043 | 33.816 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | GLU | -1 | -0.968 | -0.954 | 35.678 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | CYS | 0 | -0.090 | -0.040 | 30.520 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | PHE | 0 | 0.013 | -0.007 | 27.751 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.765 | -0.831 | 30.863 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | LYS | 1 | 0.802 | 0.921 | 29.961 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | PHE | 0 | -0.008 | -0.009 | 25.433 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | LYS | 1 | 0.828 | 0.918 | 31.249 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | VAL | 0 | 0.069 | 0.037 | 32.118 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | ASN | 0 | -0.034 | -0.017 | 32.699 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | SER | 0 | 0.001 | 0.018 | 32.217 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | THR | 0 | 0.028 | -0.020 | 30.014 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LEU | 0 | -0.020 | -0.008 | 29.098 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | GLU | -1 | -0.827 | -0.870 | 28.091 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | GLN | 0 | -0.065 | -0.040 | 22.251 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | TYR | 0 | -0.011 | -0.029 | 20.012 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | VAL | 0 | -0.016 | -0.006 | 23.277 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | PHE | 0 | 0.031 | 0.003 | 20.933 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | CYS | 0 | 0.000 | -0.002 | 24.133 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | -0.004 | 0.021 | 24.509 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | VAL | 0 | 0.056 | 0.018 | 22.961 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | ASN | 0 | -0.072 | -0.053 | 25.619 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | ALA | 0 | -0.013 | 0.003 | 28.776 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LEU | 0 | -0.037 | -0.010 | 23.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | PRO | 0 | 0.023 | 0.008 | 27.883 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | GLU | -1 | -0.853 | -0.899 | 28.389 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | THR | 0 | -0.003 | -0.001 | 25.850 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | THR | 0 | 0.009 | 0.011 | 24.752 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | ALA | 0 | -0.004 | 0.002 | 20.947 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | ASP | -1 | -0.764 | -0.853 | 18.917 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | ILE | 0 | -0.018 | -0.032 | 13.514 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | VAL | 0 | 0.030 | 0.035 | 16.387 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | VAL | 0 | -0.010 | -0.004 | 13.708 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | PHE | 0 | 0.004 | -0.010 | 15.317 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 374 | ASP | -1 | -0.719 | -0.817 | 15.276 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | GLU | -1 | -0.786 | -0.821 | 16.452 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 376 | ILE | 0 | 0.024 | 0.010 | 13.617 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 377 | SER | 0 | 0.030 | 0.016 | 16.805 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | MET | 0 | -0.028 | 0.005 | 18.444 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 379 | ALA | 0 | -0.004 | 0.022 | 19.596 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | THR | 0 | 0.004 | 0.007 | 21.554 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ASN | 0 | 0.016 | -0.038 | 21.950 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | TYR | 0 | -0.024 | -0.021 | 23.783 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | ASP | -1 | -0.773 | -0.850 | 23.214 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | LEU | 0 | -0.048 | -0.003 | 18.147 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | SER | 0 | 0.020 | 0.016 | 21.621 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | VAL | 0 | -0.002 | -0.006 | 24.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | VAL | 0 | 0.014 | 0.008 | 20.002 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | ASN | 0 | -0.027 | -0.011 | 19.655 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | ALA | 0 | -0.068 | -0.028 | 22.931 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | ARG | 1 | 0.817 | 0.913 | 26.289 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.037 | 0.022 | 21.789 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.798 | 0.908 | 23.059 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ALA | 0 | 0.027 | 0.001 | 19.045 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | LYS | 1 | 0.789 | 0.897 | 18.197 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | HIS | 1 | 0.784 | 0.893 | 13.098 | 0.700 | 0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | TYR | 0 | 0.017 | 0.012 | 14.049 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | VAL | 0 | 0.000 | -0.011 | 9.459 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | TYR | 0 | 0.003 | -0.001 | 11.266 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | ILE | 0 | 0.000 | 0.000 | 10.670 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | GLY | 0 | 0.049 | 0.005 | 11.864 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | ASP | -1 | -0.680 | -0.810 | 12.277 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | PRO | 0 | 0.022 | 0.017 | 12.940 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | ALA | 0 | 0.024 | 0.023 | 15.599 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLN | 0 | -0.062 | -0.037 | 16.342 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LEU | 0 | -0.008 | 0.010 | 19.466 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | PRO | 0 | 0.000 | 0.022 | 21.651 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | ALA | 0 | 0.024 | 0.006 | 22.875 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | PRO | 0 | -0.008 | -0.007 | 25.506 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | ARG | 1 | 0.805 | 0.913 | 23.602 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | THR | 0 | -0.023 | -0.036 | 30.384 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | LEU | 0 | 0.010 | 0.008 | 33.962 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | -0.084 | -0.016 | 29.759 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | THR | 0 | -0.033 | -0.022 | 33.727 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | LYS | 1 | 0.813 | 0.905 | 35.696 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 415 | GLY | 0 | 0.055 | 0.022 | 32.634 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 416 | THR | 0 | 0.008 | -0.002 | 27.021 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 417 | LEU | 0 | 0.014 | 0.025 | 24.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 418 | GLU | -1 | -0.781 | -0.854 | 22.355 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | PRO | 0 | 0.009 | -0.002 | 18.288 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLU | -1 | -0.861 | -0.894 | 18.079 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | TYR | 0 | 0.006 | -0.015 | 19.097 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | PHE | 0 | -0.056 | 0.013 | 18.961 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | ASN | 0 | 0.061 | -0.002 | 17.816 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | SER | 0 | 0.020 | -0.005 | 18.420 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | VAL | 0 | 0.009 | 0.018 | 12.835 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | CYS | 0 | -0.075 | -0.039 | 13.749 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | ARG | 1 | 0.877 | 0.931 | 15.239 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | LEU | 0 | -0.015 | 0.015 | 12.303 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | MET | 0 | -0.057 | -0.028 | 9.875 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | LYS | 1 | 0.868 | 0.920 | 11.645 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | THR | 0 | -0.051 | -0.028 | 14.255 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | ILE | 0 | -0.007 | 0.001 | 10.827 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | GLY | 0 | 0.044 | 0.055 | 9.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | PRO | 0 | -0.016 | -0.001 | 6.524 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | ASP | -1 | -0.760 | -0.814 | 4.509 | -1.941 | -1.826 | -0.001 | -0.061 | -0.054 | 0.000 |
432 | B | 436 | MET | 0 | -0.075 | -0.023 | 2.156 | -12.075 | -9.000 | 3.771 | -3.855 | -2.991 | -0.010 |
433 | B | 437 | PHE | 0 | 0.014 | 0.003 | 3.237 | 0.058 | 0.216 | 0.027 | 0.053 | -0.237 | 0.002 |
434 | B | 438 | LEU | 0 | -0.052 | -0.014 | 5.887 | 0.769 | 0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLY | 0 | 0.068 | 0.018 | 8.347 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | THR | 0 | 0.004 | 0.014 | 9.966 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | CYS | 0 | -0.011 | 0.008 | 13.122 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | ARG | 1 | 0.889 | 0.923 | 15.356 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | ARG | 1 | 0.777 | 0.889 | 18.353 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | CYS | 0 | -0.036 | -0.014 | 20.642 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | PRO | 0 | 0.059 | 0.056 | 22.215 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | ALA | 0 | 0.035 | 0.008 | 22.227 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | GLU | -1 | -0.704 | -0.833 | 22.978 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ILE | 0 | -0.003 | 0.005 | 22.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | VAL | 0 | -0.025 | -0.016 | 17.786 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | ASP | -1 | -0.747 | -0.852 | 19.485 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | THR | 0 | -0.061 | -0.021 | 21.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | VAL | 0 | 0.037 | 0.009 | 18.410 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | SER | 0 | -0.046 | -0.030 | 16.483 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | ALA | 0 | -0.022 | -0.009 | 17.593 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | LEU | 0 | -0.043 | -0.001 | 20.237 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | VAL | 0 | -0.012 | -0.014 | 17.579 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | TYR | 0 | -0.054 | -0.041 | 13.429 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ASP | -1 | -0.703 | -0.817 | 13.248 | 0.449 | 0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | ASN | 0 | 0.024 | 0.009 | 15.047 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.858 | 0.934 | 9.766 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.062 | -0.010 | 11.789 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | LYS | 1 | 0.879 | 0.931 | 13.524 | -0.603 | -0.603 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ALA | 0 | -0.007 | -0.006 | 15.494 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | HIS | 0 | 0.041 | 0.031 | 17.283 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | LYS | 1 | 0.714 | 0.860 | 18.916 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | ASP | -1 | -0.751 | -0.864 | 22.429 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.830 | 0.935 | 24.997 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | SER | 0 | -0.071 | -0.045 | 27.209 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | ALA | 0 | -0.035 | -0.007 | 29.561 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLN | 0 | 0.019 | 0.039 | 31.397 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | CYS | 0 | -0.013 | 0.015 | 28.895 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | PHE | 0 | 0.032 | 0.011 | 31.381 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | LYS | 1 | 0.812 | 0.909 | 31.689 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | MET | 0 | 0.017 | 0.015 | 34.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | PHE | 0 | -0.002 | 0.002 | 37.356 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | TYR | 0 | 0.064 | 0.024 | 39.094 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | LYS | 1 | 0.863 | 0.919 | 39.490 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLY | 0 | 0.024 | 0.039 | 42.230 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | VAL | 0 | 0.024 | 0.010 | 44.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | ILE | 0 | -0.003 | 0.019 | 41.965 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | THR | 0 | -0.042 | -0.007 | 44.804 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | HIS | 0 | 0.062 | 0.033 | 41.933 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ASP | -1 | -0.836 | -0.867 | 44.283 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | VAL | 0 | -0.002 | -0.017 | 45.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | SER | 0 | 0.027 | 0.023 | 40.719 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | SER | 0 | -0.010 | -0.007 | 38.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | ALA | 0 | 0.038 | 0.045 | 39.667 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | ILE | 0 | -0.055 | -0.030 | 41.017 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASN | 0 | 0.011 | -0.026 | 41.383 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | ARG | 1 | 0.934 | 0.958 | 43.158 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | PRO | 0 | 0.016 | 0.012 | 45.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | GLN | 0 | 0.025 | 0.005 | 38.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | ILE | 0 | -0.010 | 0.006 | 41.677 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLY | 0 | -0.036 | -0.016 | 43.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | VAL | 0 | 0.046 | 0.016 | 41.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | VAL | 0 | 0.002 | 0.005 | 39.323 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.960 | 0.981 | 41.999 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | GLU | -1 | -0.878 | -0.928 | 45.305 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | PHE | 0 | 0.028 | 0.028 | 38.148 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | LEU | 0 | 0.020 | -0.004 | 40.279 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | THR | 0 | -0.081 | -0.035 | 43.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | ARG | 1 | 0.938 | 0.956 | 45.243 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | ASN | 0 | -0.057 | -0.009 | 40.653 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | PRO | 0 | 0.050 | 0.007 | 41.600 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ALA | 0 | 0.009 | 0.018 | 38.619 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | TRP | 0 | 0.009 | -0.013 | 33.559 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ARG | 1 | 0.876 | 0.934 | 38.645 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 508 | LYS | 1 | 0.940 | 1.008 | 35.394 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 509 | ALA | 0 | -0.008 | 0.013 | 34.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 510 | VAL | 0 | 0.020 | 0.015 | 32.294 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 511 | PHE | 0 | 0.008 | 0.002 | 33.869 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 512 | ILE | 0 | -0.006 | -0.019 | 29.482 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 513 | SER | 0 | -0.004 | -0.016 | 33.258 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 514 | PRO | 0 | 0.014 | 0.001 | 31.886 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 515 | TYR | 0 | -0.012 | 0.002 | 33.233 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 516 | ASN | 0 | 0.025 | 0.000 | 36.626 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 517 | SER | 0 | 0.013 | -0.041 | 38.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 518 | GLN | 0 | 0.046 | 0.035 | 38.464 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 519 | ASN | 0 | -0.012 | -0.023 | 34.921 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 520 | ALA | 0 | 0.019 | 0.028 | 39.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 521 | VAL | 0 | -0.042 | -0.029 | 42.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 522 | ALA | 0 | 0.016 | 0.003 | 40.493 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 523 | SER | 0 | -0.041 | -0.022 | 41.481 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 524 | LYS | 1 | 0.950 | 0.968 | 42.904 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 525 | ILE | 0 | -0.039 | -0.014 | 45.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 526 | LEU | 0 | -0.061 | -0.025 | 41.003 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 527 | GLY | 0 | 0.004 | 0.018 | 44.040 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 528 | LEU | 0 | -0.034 | -0.001 | 38.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 529 | PRO | 0 | -0.002 | 0.035 | 36.105 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 530 | THR | 0 | 0.001 | -0.004 | 36.168 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 531 | GLN | 0 | -0.035 | -0.015 | 31.297 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 532 | THR | 0 | 0.005 | 0.032 | 32.124 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 533 | VAL | 0 | 0.036 | 0.012 | 26.614 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 534 | ASP | -1 | -0.739 | -0.825 | 27.016 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 535 | SER | 0 | -0.003 | -0.002 | 27.187 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 536 | SER | 0 | -0.024 | 0.001 | 27.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 537 | GLN | 0 | 0.086 | 0.030 | 21.780 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 538 | GLY | 0 | -0.005 | 0.003 | 21.499 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 539 | SER | 0 | -0.044 | -0.020 | 22.572 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 540 | GLU | -1 | -0.860 | -0.928 | 22.054 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 541 | TYR | 0 | 0.079 | 0.024 | 25.685 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 542 | ASP | -1 | -0.757 | -0.810 | 28.400 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 543 | TYR | 0 | -0.042 | -0.036 | 30.087 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 544 | VAL | 0 | 0.012 | 0.005 | 28.639 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 545 | ILE | 0 | 0.019 | 0.007 | 31.880 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 546 | PHE | 0 | 0.036 | 0.001 | 31.176 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 547 | THR | 0 | 0.015 | 0.029 | 33.610 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 548 | GLN | 0 | 0.102 | 0.025 | 32.066 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 549 | THR | 0 | -0.068 | -0.025 | 35.020 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 550 | THR | 0 | 0.070 | 0.033 | 36.840 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 551 | GLU | -1 | -0.742 | -0.785 | 35.617 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 552 | THR | 0 | 0.003 | -0.002 | 35.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 553 | ALA | 0 | 0.096 | 0.050 | 32.236 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 554 | HIS | 0 | -0.006 | 0.009 | 30.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 555 | SER | 0 | -0.028 | -0.034 | 30.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 556 | CYS | 0 | -0.044 | -0.002 | 30.484 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 557 | ASN | 0 | 0.022 | 0.039 | 25.505 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 558 | VAL | 0 | 0.083 | 0.034 | 22.152 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 559 | ASN | 0 | -0.010 | -0.010 | 19.600 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 560 | ARG | 1 | 0.753 | 0.853 | 22.560 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 561 | PHE | 0 | 0.022 | -0.009 | 25.608 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 562 | ASN | 0 | 0.025 | -0.013 | 18.260 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 563 | VAL | 0 | -0.025 | 0.021 | 21.593 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 564 | ALA | 0 | -0.013 | -0.002 | 23.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 565 | ILE | 0 | 0.022 | -0.007 | 24.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 566 | THR | 0 | -0.036 | -0.035 | 20.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 567 | ARG | 1 | 0.835 | 0.920 | 20.771 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 568 | ALA | 0 | 0.011 | 0.013 | 25.236 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 569 | LYS | 1 | 0.855 | 0.929 | 24.835 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 570 | VAL | 0 | -0.039 | -0.015 | 26.103 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 571 | GLY | 0 | 0.053 | 0.030 | 29.109 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 572 | ILE | 0 | -0.020 | -0.013 | 28.340 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 573 | LEU | 0 | 0.029 | 0.041 | 31.229 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 574 | CYS | 0 | -0.046 | -0.012 | 30.951 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 575 | ILE | 0 | -0.008 | -0.001 | 33.672 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 576 | MET | 0 | -0.049 | -0.021 | 31.363 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 577 | SER | 0 | 0.043 | -0.004 | 35.771 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 578 | ASP | -1 | -0.733 | -0.837 | 32.233 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 579 | ARG | 1 | 0.825 | 0.902 | 34.407 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 580 | ASP | -1 | -0.730 | -0.812 | 29.850 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 581 | LEU | 0 | -0.004 | -0.008 | 27.267 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 582 | TYR | 0 | 0.007 | 0.001 | 30.060 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 583 | ASP | -1 | -0.758 | -0.852 | 32.007 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 584 | LYS | 1 | 0.838 | 0.910 | 26.226 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 585 | LEU | 0 | -0.018 | 0.017 | 27.027 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 586 | GLN | 0 | -0.012 | 0.011 | 23.330 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 587 | PHE | 0 | 0.005 | -0.022 | 26.633 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 588 | THR | 0 | 0.031 | 0.022 | 30.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 589 | SER | 0 | -0.027 | -0.030 | 34.377 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 590 | LEU | 0 | -0.020 | -0.016 | 36.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 591 | GLU | -1 | -0.886 | -0.940 | 39.860 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 592 | ILE | 0 | -0.108 | -0.074 | 42.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 593 | PRO | -1 | -0.915 | -0.940 | 45.306 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 801 | HOH | 0 | -0.022 | -0.036 | 52.774 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 802 | HOH | 0 | -0.012 | -0.019 | 39.849 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 803 | HOH | 0 | -0.037 | -0.036 | 28.500 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 804 | HOH | 0 | -0.002 | -0.008 | 21.809 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 805 | HOH | 0 | -0.028 | -0.027 | 38.098 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 806 | HOH | 0 | -0.020 | -0.014 | 26.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 807 | HOH | 0 | 0.020 | 0.019 | 14.599 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 808 | HOH | 0 | 0.002 | -0.011 | 37.170 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 809 | HOH | 0 | 0.009 | -0.013 | 26.449 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 811 | HOH | 0 | -0.005 | -0.030 | 21.677 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 812 | HOH | 0 | -0.029 | -0.037 | 19.521 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 813 | HOH | 0 | -0.062 | -0.046 | 58.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 814 | HOH | 0 | -0.054 | -0.053 | 41.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 815 | HOH | 0 | -0.027 | -0.043 | 30.471 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 816 | HOH | 0 | -0.017 | -0.015 | 10.964 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 817 | HOH | 0 | -0.006 | -0.005 | 23.949 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 818 | HOH | 0 | -0.016 | -0.013 | 40.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 819 | HOH | 0 | -0.008 | -0.012 | 44.301 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 820 | HOH | 0 | -0.019 | -0.010 | 46.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 821 | HOH | 0 | -0.031 | -0.032 | 18.982 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 822 | HOH | 0 | -0.035 | -0.031 | 18.985 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 823 | HOH | 0 | -0.027 | -0.023 | 30.105 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 824 | HOH | 0 | -0.049 | -0.050 | 30.865 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 825 | HOH | 0 | -0.037 | -0.024 | 14.856 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 826 | HOH | 0 | -0.019 | -0.032 | 32.087 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 828 | HOH | 0 | -0.002 | -0.015 | 4.936 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 829 | HOH | 0 | -0.012 | -0.022 | 35.116 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 830 | HOH | 0 | 0.018 | 0.005 | 9.123 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 831 | HOH | 0 | -0.012 | -0.010 | 38.307 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 832 | HOH | 0 | -0.022 | -0.035 | 25.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 833 | HOH | 0 | 0.025 | 0.013 | 29.143 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 834 | HOH | 0 | -0.019 | -0.020 | 17.404 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 836 | HOH | 0 | -0.016 | -0.019 | 23.812 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 837 | HOH | 0 | -0.007 | -0.017 | 39.603 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 840 | HOH | 0 | -0.003 | -0.006 | 31.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 841 | HOH | 0 | -0.059 | -0.050 | 26.066 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 842 | HOH | 0 | 0.014 | -0.011 | 20.022 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 843 | HOH | 0 | -0.008 | -0.020 | 31.999 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 844 | HOH | 0 | 0.015 | -0.010 | 17.344 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 845 | HOH | 0 | -0.002 | -0.012 | 46.261 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 846 | HOH | 0 | -0.022 | -0.009 | 26.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 847 | HOH | 0 | 0.009 | -0.005 | 27.752 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 848 | HOH | 0 | 0.029 | 0.009 | 36.451 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 849 | HOH | 0 | 0.003 | 0.000 | 20.536 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 850 | HOH | 0 | -0.045 | -0.043 | 27.654 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 851 | HOH | 0 | -0.018 | -0.016 | 19.302 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 852 | HOH | 0 | -0.007 | -0.013 | 13.968 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 853 | HOH | 0 | -0.004 | -0.017 | 24.599 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 854 | HOH | 0 | -0.049 | -0.038 | 32.954 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 855 | HOH | 0 | 0.029 | 0.020 | 12.265 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 856 | HOH | 0 | -0.056 | -0.053 | 33.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 857 | HOH | 0 | -0.036 | -0.040 | 16.559 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 859 | HOH | 0 | -0.009 | -0.014 | 36.678 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 860 | HOH | 0 | 0.038 | 0.016 | 29.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 861 | HOH | 0 | -0.037 | -0.042 | 24.585 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 862 | HOH | 0 | -0.040 | -0.030 | 36.368 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 863 | HOH | 0 | 0.015 | 0.006 | 18.085 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 865 | HOH | 0 | -0.005 | -0.008 | 40.926 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 867 | HOH | 0 | -0.030 | -0.020 | 5.693 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 868 | HOH | 0 | 0.009 | 0.002 | 26.345 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 869 | HOH | 0 | -0.038 | -0.034 | 26.720 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 870 | HOH | 0 | 0.004 | -0.004 | 22.028 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 871 | HOH | 0 | -0.024 | -0.026 | 31.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 872 | HOH | 0 | -0.005 | -0.007 | 31.901 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 873 | HOH | 0 | 0.001 | -0.006 | 23.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 874 | HOH | 0 | -0.013 | -0.002 | 19.968 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 875 | HOH | 0 | -0.006 | 0.001 | 34.740 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 876 | HOH | 0 | -0.025 | -0.026 | 67.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 877 | HOH | 0 | 0.014 | 0.004 | 56.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 878 | HOH | 0 | -0.036 | -0.022 | 39.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 880 | HOH | 0 | 0.002 | 0.004 | 59.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 881 | HOH | 0 | 0.001 | -0.004 | 11.441 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 882 | HOH | 0 | 0.021 | 0.014 | 57.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 883 | HOH | 0 | -0.010 | -0.019 | 32.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 884 | HOH | 0 | 0.016 | -0.004 | 32.721 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 885 | HOH | 0 | -0.058 | -0.043 | 12.345 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 886 | HOH | 0 | -0.027 | -0.030 | 30.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 887 | HOH | 0 | -0.019 | -0.040 | 32.478 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 888 | HOH | 0 | 0.010 | -0.005 | 29.355 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 889 | HOH | 0 | -0.051 | -0.057 | 30.343 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 890 | HOH | 0 | -0.017 | -0.015 | 17.034 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 892 | HOH | 0 | -0.018 | -0.019 | 29.131 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 893 | HOH | 0 | -0.016 | -0.023 | 17.380 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 894 | HOH | 0 | 0.000 | -0.001 | 6.700 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 895 | HOH | 0 | -0.040 | -0.033 | 28.167 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 896 | HOH | 0 | 0.001 | -0.008 | 22.854 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 897 | HOH | 0 | -0.021 | -0.022 | 16.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 898 | HOH | 0 | -0.035 | -0.037 | 29.274 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 899 | HOH | 0 | -0.004 | -0.008 | 37.288 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 900 | HOH | 0 | 0.009 | 0.002 | 47.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 901 | HOH | 0 | -0.007 | -0.010 | 27.058 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 902 | HOH | 0 | 0.008 | -0.001 | 27.011 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 903 | HOH | 0 | 0.000 | -0.011 | 16.912 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 904 | HOH | 0 | -0.019 | -0.014 | 17.970 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 905 | HOH | 0 | -0.051 | -0.046 | 54.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 906 | HOH | 0 | 0.001 | -0.016 | 37.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 907 | HOH | 0 | -0.034 | -0.028 | 47.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 908 | HOH | 0 | 0.014 | 0.003 | 19.886 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 909 | HOH | 0 | -0.022 | -0.011 | 13.884 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 910 | HOH | 0 | -0.018 | -0.015 | 25.521 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 911 | HOH | 0 | -0.014 | -0.009 | 46.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 912 | HOH | 0 | 0.003 | 0.000 | 43.430 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 915 | HOH | 0 | -0.002 | -0.015 | 42.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 916 | HOH | 0 | -0.039 | -0.022 | 33.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 917 | HOH | 0 | 0.004 | -0.010 | 33.556 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 918 | HOH | 0 | -0.018 | -0.028 | 37.368 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 919 | HOH | 0 | 0.024 | -0.004 | 19.302 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 920 | HOH | 0 | -0.009 | -0.002 | 17.791 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 921 | HOH | 0 | 0.017 | 0.008 | 1.767 | -9.785 | -15.489 | 11.785 | -4.187 | -1.893 | 0.047 |
699 | B | 922 | HOH | 0 | 0.015 | 0.004 | 16.364 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 923 | HOH | 0 | -0.017 | -0.013 | 19.549 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 925 | HOH | 0 | -0.025 | -0.022 | 28.473 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 926 | HOH | 0 | 0.043 | 0.025 | 36.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 927 | HOH | 0 | 0.000 | -0.007 | 26.351 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 928 | HOH | 0 | -0.021 | -0.008 | 26.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 929 | HOH | 0 | 0.005 | 0.002 | 35.595 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 930 | HOH | 0 | -0.007 | -0.022 | 40.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 932 | HOH | 0 | 0.003 | -0.008 | 44.990 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 933 | HOH | 0 | -0.034 | -0.037 | 22.082 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 934 | HOH | 0 | -0.018 | -0.015 | 54.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | B | 935 | HOH | 0 | -0.053 | -0.040 | 21.928 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | B | 936 | HOH | 0 | 0.020 | 0.012 | 23.793 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | B | 937 | HOH | 0 | -0.038 | -0.033 | 48.883 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | B | 939 | HOH | 0 | 0.007 | -0.013 | 61.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | B | 940 | HOH | 0 | -0.018 | -0.015 | 42.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | B | 941 | HOH | 0 | -0.031 | -0.034 | 8.890 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | B | 942 | HOH | 0 | -0.007 | -0.003 | 26.004 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | B | 943 | HOH | 0 | -0.036 | -0.037 | 27.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | B | 944 | HOH | 0 | 0.043 | 0.026 | 48.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | B | 945 | HOH | 0 | -0.030 | -0.022 | 9.868 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | B | 946 | HOH | 0 | -0.007 | -0.003 | 32.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | B | 947 | HOH | 0 | -0.010 | -0.025 | 40.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | B | 948 | HOH | 0 | 0.028 | 0.016 | 27.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | B | 949 | HOH | 0 | 0.000 | -0.001 | 18.407 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | B | 951 | HOH | 0 | -0.010 | -0.019 | 29.297 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | B | 952 | HOH | 0 | -0.031 | -0.037 | 39.933 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | B | 954 | HOH | 0 | -0.051 | -0.039 | 36.158 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | B | 955 | HOH | 0 | -0.031 | -0.029 | 35.998 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | B | 956 | HOH | 0 | -0.019 | -0.018 | 13.473 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | B | 957 | HOH | 0 | -0.053 | -0.037 | 53.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | B | 958 | HOH | 0 | -0.003 | -0.004 | 49.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | B | 959 | HOH | 0 | -0.051 | -0.045 | 21.127 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | B | 960 | HOH | 0 | -0.016 | -0.024 | 7.559 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | B | 961 | HOH | 0 | 0.010 | -0.002 | 28.124 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | B | 962 | HOH | 0 | -0.019 | -0.013 | 19.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | B | 963 | HOH | 0 | 0.008 | -0.006 | 33.660 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | B | 964 | HOH | 0 | 0.008 | -0.007 | 28.968 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | B | 965 | HOH | 0 | -0.005 | -0.016 | 19.073 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | B | 966 | HOH | 0 | -0.001 | -0.006 | 26.923 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | B | 967 | HOH | 0 | -0.005 | -0.011 | 16.085 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | B | 968 | HOH | 0 | -0.039 | -0.039 | 28.850 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | B | 969 | HOH | 0 | -0.001 | -0.017 | 55.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | B | 970 | HOH | 0 | -0.013 | -0.020 | 17.370 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | B | 971 | HOH | 0 | -0.057 | -0.047 | 17.726 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | B | 972 | HOH | 0 | -0.019 | -0.013 | 7.464 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | B | 973 | HOH | 0 | -0.027 | -0.013 | 28.584 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | B | 975 | HOH | 0 | -0.003 | -0.008 | 17.644 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | B | 976 | HOH | 0 | 0.011 | 0.001 | 8.233 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | B | 978 | HOH | 0 | -0.017 | -0.025 | 53.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | B | 979 | HOH | 0 | 0.052 | 0.031 | 25.312 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | B | 980 | HOH | 0 | -0.020 | -0.021 | 22.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | B | 981 | HOH | 0 | -0.029 | -0.022 | 28.494 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | B | 982 | HOH | 0 | -0.011 | -0.017 | 28.666 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | B | 983 | HOH | 0 | -0.008 | -0.003 | 52.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | B | 984 | HOH | 0 | 0.004 | -0.004 | 20.106 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | B | 986 | HOH | 0 | -0.010 | -0.005 | 6.459 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | B | 987 | HOH | 0 | -0.016 | -0.043 | 36.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | B | 988 | HOH | 0 | -0.012 | -0.010 | 26.159 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | B | 989 | HOH | 0 | -0.002 | 0.002 | 52.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | B | 990 | HOH | 0 | -0.035 | -0.036 | 34.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | B | 991 | HOH | 0 | -0.016 | -0.015 | 42.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | B | 992 | HOH | 0 | 0.049 | 0.038 | 36.234 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | B | 993 | HOH | 0 | -0.018 | -0.018 | 41.210 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | B | 994 | HOH | 0 | 0.019 | 0.004 | 34.591 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | B | 995 | HOH | 0 | -0.009 | -0.008 | 35.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | B | 996 | HOH | 0 | -0.012 | -0.018 | 42.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | B | 997 | HOH | 0 | 0.033 | 0.024 | 42.167 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | B | 998 | HOH | 0 | 0.008 | 0.002 | 19.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | B | 999 | HOH | 0 | -0.019 | -0.005 | 40.330 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | B | 1000 | HOH | 0 | -0.001 | -0.001 | 27.553 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | B | 1001 | HOH | 0 | 0.041 | 0.025 | 45.119 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | B | 1002 | HOH | 0 | -0.018 | -0.018 | 13.829 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | B | 1003 | HOH | 0 | -0.001 | -0.014 | 31.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | B | 1004 | HOH | 0 | -0.004 | -0.021 | 27.589 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | B | 1005 | HOH | 0 | 0.035 | 0.024 | 32.441 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | B | 1006 | HOH | 0 | 0.020 | 0.013 | 32.788 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | B | 1007 | HOH | 0 | -0.016 | -0.034 | 26.737 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | B | 1008 | HOH | 0 | -0.037 | -0.022 | 14.951 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | B | 1009 | HOH | 0 | -0.033 | -0.031 | 40.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | B | 1010 | HOH | 0 | -0.015 | -0.021 | 20.120 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | B | 1011 | HOH | 0 | -0.043 | -0.041 | 34.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | B | 1012 | HOH | 0 | -0.027 | -0.021 | 5.463 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | B | 1013 | HOH | 0 | 0.004 | 0.003 | 38.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | B | 1014 | HOH | 0 | 0.026 | 0.013 | 26.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | B | 1015 | HOH | 0 | -0.005 | -0.013 | 17.001 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | B | 1016 | HOH | 0 | -0.011 | -0.018 | 24.731 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | B | 1018 | HOH | 0 | -0.051 | -0.035 | 33.297 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | B | 1019 | HOH | 0 | 0.002 | -0.009 | 19.863 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | B | 1020 | HOH | 0 | 0.005 | -0.003 | 34.785 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | B | 1021 | HOH | 0 | -0.023 | -0.023 | 23.648 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | B | 1022 | HOH | 0 | 0.004 | -0.009 | 35.398 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | B | 1023 | HOH | 0 | -0.052 | -0.037 | 19.405 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | B | 1024 | HOH | 0 | 0.009 | 0.002 | 49.924 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | B | 1025 | HOH | 0 | -0.027 | -0.027 | 38.627 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | B | 1026 | HOH | 0 | 0.039 | 0.029 | 27.980 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | B | 1027 | HOH | 0 | -0.006 | -0.006 | 12.762 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | B | 1028 | HOH | 0 | 0.002 | 0.000 | 24.030 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | B | 1029 | HOH | 0 | -0.016 | -0.016 | 22.497 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | B | 1030 | HOH | 0 | 0.033 | 0.026 | 35.015 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | B | 1031 | HOH | 0 | -0.006 | 0.000 | 13.698 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | B | 1032 | HOH | 0 | -0.002 | -0.002 | 19.027 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | B | 1033 | HOH | 0 | -0.004 | -0.003 | 36.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | B | 1034 | HOH | 0 | -0.028 | -0.029 | 64.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | B | 1035 | HOH | 0 | 0.004 | 0.000 | 22.818 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | B | 1036 | HOH | 0 | -0.004 | -0.014 | 54.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | B | 1037 | HOH | 0 | -0.009 | -0.004 | 43.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | B | 1038 | HOH | 0 | -0.016 | -0.026 | 17.196 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | B | 1040 | HOH | 0 | 0.026 | 0.012 | 26.592 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | B | 1041 | HOH | 0 | -0.013 | -0.015 | 25.812 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | B | 1042 | HOH | 0 | 0.026 | 0.024 | 25.640 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | B | 1043 | HOH | 0 | -0.012 | -0.012 | 34.457 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | B | 1044 | HOH | 0 | -0.014 | -0.019 | 31.112 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | B | 1045 | HOH | 0 | 0.018 | 0.007 | 49.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | B | 1046 | HOH | 0 | -0.011 | -0.011 | 53.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | B | 1047 | HOH | 0 | 0.026 | 0.021 | 29.962 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | B | 701 | VVP | 0 | -0.006 | -0.011 | 32.140 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |