FMODB ID: N3Y6Q
Calculation Name: 5RLV-B-Xray89
Preferred Name:
Target Type:
Ligand Name: n-(propan-2-yl)-1h-benzimidazol-2-amine
ligand 3-letter code: VWJ
PDB ID: 5RLV
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 | 746 |
LigandCharge | VWJ=1,CYM=-1 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -13484866.006035 |
---|---|
FMO2-HF: Nuclear repulsion | 13239921.5673 |
FMO2-HF: Total energy | -244944.438735 |
FMO2-MP2: Total energy | -245642.191216 |
3D Structure
Ligand structure
VWJ
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. |
-55.807 | -75.598 | 56.216 | -22.789 | -13.635 | 0.027 |
Interactive mode: IFIE and PIEDA for fragment #701(B:958:HOH )
Summations of interaction energy for
fragment #701(B:958: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. |
-55.807 | -75.598 | 56.216 | -22.789 | -13.635 | -0.027 |
Interaction energy analysis for fragmet #701(B:958: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 | 0.007 | -0.016 | 34.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
2 | B | 3 | GLY | 0 | -0.030 | -0.020 | 32.581 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
3 | B | 4 | ALA | 0 | 0.024 | 0.020 | 30.471 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
4 | B | 5 | CYM | -1 | -0.807 | -0.801 | 30.788 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | VAL | 0 | -0.020 | -0.018 | 27.012 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | LEU | 0 | -0.008 | -0.039 | 28.213 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | CYS | 0 | -0.043 | -0.003 | 30.852 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASN | 0 | -0.054 | -0.029 | 29.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | SER | 0 | -0.021 | -0.025 | 32.773 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | GLN | 0 | 0.038 | 0.018 | 35.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | THR | 0 | -0.009 | 0.009 | 36.206 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | SER | 0 | -0.038 | -0.017 | 36.775 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | LEU | 0 | -0.021 | -0.006 | 37.210 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | ARG | 1 | 0.936 | 0.978 | 31.900 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | CYM | -1 | -0.810 | -0.703 | 32.010 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | GLY | 0 | 0.003 | -0.029 | 32.176 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | -0.005 | -0.009 | 33.014 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | CYS | 0 | 0.009 | -0.073 | 28.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | ILE | 0 | -0.028 | -0.005 | 23.123 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ARG | 1 | 0.762 | 0.864 | 21.504 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.858 | 0.951 | 25.795 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | PRO | 0 | 0.022 | 0.024 | 27.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | PHE | 0 | 0.018 | -0.012 | 29.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | LEU | 0 | -0.025 | -0.007 | 31.343 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | CYS | 0 | 0.010 | -0.047 | 34.066 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | CYS | 0 | -0.023 | -0.025 | 37.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.879 | 0.914 | 39.527 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | CYS | 0 | 0.034 | 0.013 | 34.417 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | CYS | 0 | -0.042 | -0.016 | 36.250 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | TYR | 0 | 0.059 | 0.057 | 37.199 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ASP | -1 | -0.782 | -0.885 | 37.643 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | HIS | 1 | 0.806 | 0.880 | 32.396 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | VAL | 0 | 0.009 | 0.009 | 36.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | ILE | 0 | -0.064 | -0.030 | 38.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | SER | 0 | -0.052 | -0.049 | 37.300 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | THR | 0 | -0.032 | -0.008 | 33.658 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | SER | 0 | 0.034 | 0.007 | 35.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | HIS | 0 | 0.009 | -0.012 | 30.355 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | LYS | 1 | 0.910 | 0.964 | 36.050 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | LEU | 0 | -0.019 | 0.011 | 35.967 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | VAL | 0 | 0.005 | -0.001 | 36.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | LEU | 0 | -0.040 | -0.025 | 33.752 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | SER | 0 | 0.023 | 0.013 | 37.219 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | VAL | 0 | -0.018 | -0.015 | 39.009 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 46 | ASN | 0 | 0.011 | 0.025 | 40.581 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PRO | 0 | 0.022 | 0.006 | 39.241 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | TYR | 0 | -0.091 | -0.075 | 40.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | VAL | 0 | 0.047 | 0.027 | 42.599 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | CYS | 0 | -0.090 | -0.014 | 44.643 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ASN | 0 | 0.006 | -0.008 | 46.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | 0.039 | 0.023 | 49.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | PRO | 0 | -0.006 | -0.021 | 51.575 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | GLY | 0 | 0.003 | 0.016 | 50.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | CYS | 0 | -0.032 | -0.002 | 50.391 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ASP | -1 | -0.891 | -0.935 | 46.083 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | VAL | 0 | 0.023 | 0.000 | 46.291 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | THR | 0 | 0.030 | -0.003 | 41.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ASP | -1 | -0.794 | -0.873 | 42.351 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | VAL | 0 | 0.058 | 0.013 | 41.051 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | THR | 0 | -0.068 | -0.077 | 43.339 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLN | 0 | -0.091 | -0.034 | 45.852 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | -0.014 | -0.006 | 44.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | TYR | 0 | -0.042 | -0.034 | 48.560 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | LEU | 0 | 0.006 | 0.029 | 48.362 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | 0.005 | -0.014 | 50.912 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | GLY | 0 | 0.030 | 0.017 | 54.276 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | MET | 0 | -0.013 | -0.020 | 50.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | SER | 0 | -0.005 | 0.025 | 49.207 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | TYR | 0 | -0.015 | -0.027 | 45.466 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | TYR | 0 | 0.032 | 0.007 | 49.189 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | CYS | 0 | 0.024 | 0.033 | 50.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | LYS | 1 | 0.999 | 0.972 | 51.336 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | -0.009 | -0.017 | 54.283 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | HIS | 0 | 0.050 | 0.002 | 53.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | LYS | 1 | 0.794 | 0.928 | 54.540 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | PRO | 0 | 0.048 | 0.043 | 55.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | PRO | 0 | -0.006 | -0.011 | 58.515 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | ILE | 0 | 0.010 | 0.007 | 58.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | SER | 0 | 0.052 | 0.015 | 54.353 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | PHE | 0 | -0.041 | 0.007 | 49.484 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | PRO | 0 | 0.012 | 0.009 | 50.028 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | LEU | 0 | -0.010 | 0.002 | 45.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | CYS | 0 | -0.021 | 0.011 | 44.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | ALA | 0 | 0.026 | 0.001 | 46.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | ASN | 0 | -0.013 | 0.000 | 47.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | GLY | 0 | 0.011 | 0.000 | 44.706 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLN | 0 | -0.040 | -0.029 | 43.124 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | VAL | 0 | 0.019 | 0.002 | 40.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | PHE | 0 | 0.046 | 0.015 | 43.167 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | GLY | 0 | 0.087 | 0.042 | 42.152 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | LEU | 0 | -0.034 | -0.001 | 41.476 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 93 | TYR | 0 | -0.015 | -0.014 | 39.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 94 | LYS | 1 | 1.049 | 1.021 | 42.204 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | ASN | 0 | -0.033 | -0.013 | 44.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | THR | 0 | -0.008 | 0.005 | 40.606 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | CYS | 0 | -0.027 | -0.022 | 39.798 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | VAL | 0 | 0.013 | 0.034 | 37.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | GLY | 0 | 0.045 | 0.007 | 37.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | SER | 0 | -0.046 | -0.055 | 34.263 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | ASP | -1 | -0.918 | -0.936 | 36.208 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | ASN | 0 | 0.061 | 0.025 | 33.708 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | VAL | 0 | 0.000 | 0.032 | 32.938 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | THR | 0 | -0.007 | -0.043 | 32.593 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | ASP | -1 | -0.832 | -0.908 | 27.555 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | PHE | 0 | 0.010 | -0.008 | 27.832 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | ASN | 0 | 0.048 | 0.020 | 28.630 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | ALA | 0 | 0.037 | 0.047 | 28.321 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ILE | 0 | -0.015 | 0.001 | 23.284 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ALA | 0 | -0.039 | -0.016 | 25.375 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | -0.009 | -0.017 | 27.704 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | CYS | 0 | -0.020 | 0.038 | 24.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | ASP | -1 | -0.791 | -0.843 | 25.765 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | TRP | 0 | -0.008 | -0.019 | 20.195 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | THR | 0 | -0.015 | -0.032 | 21.043 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | ASN | 0 | -0.006 | -0.012 | 23.416 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 117 | ALA | 0 | 0.030 | 0.010 | 20.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | GLY | 0 | 0.004 | -0.005 | 21.560 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | ASP | -1 | -0.800 | -0.894 | 22.096 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 120 | TYR | 0 | -0.005 | -0.038 | 16.531 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | ILE | 0 | -0.005 | 0.001 | 19.085 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | LEU | 0 | 0.037 | 0.055 | 21.374 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 123 | ALA | 0 | -0.012 | -0.001 | 19.076 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | ASN | 0 | -0.001 | 0.001 | 16.199 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | THR | 0 | -0.071 | -0.056 | 19.193 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | CYS | 0 | -0.016 | 0.029 | 22.745 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | THR | 0 | 0.063 | 0.024 | 23.546 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | GLU | -1 | -0.660 | -0.799 | 18.961 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | ARG | 1 | 0.910 | 0.947 | 21.613 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | LEU | 0 | 0.041 | 0.017 | 23.423 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LYS | 1 | 0.845 | 0.935 | 18.162 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | -0.009 | 0.004 | 17.911 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | PHE | 0 | 0.017 | 0.013 | 19.658 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | ALA | 0 | 0.060 | 0.025 | 20.159 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | ALA | 0 | -0.016 | 0.009 | 15.595 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | GLU | -1 | -0.773 | -0.903 | 17.068 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | THR | 0 | -0.010 | -0.007 | 19.093 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | LEU | 0 | -0.032 | 0.020 | 15.549 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | LYS | 1 | 0.910 | 0.962 | 10.225 | -0.595 | -0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | ALA | 0 | -0.018 | -0.011 | 16.852 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | THR | 0 | 0.010 | 0.004 | 20.259 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | GLU | -1 | -0.742 | -0.805 | 15.042 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | GLU | -1 | -0.777 | -0.867 | 15.657 | 0.573 | 0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | THR | 0 | -0.009 | -0.019 | 19.135 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | PHE | 0 | 0.020 | 0.009 | 20.128 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LYS | 1 | 0.799 | 0.901 | 14.713 | -0.610 | -0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LEU | 0 | 0.024 | 0.010 | 21.306 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | SER | 0 | -0.077 | -0.040 | 24.433 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | TYR | 0 | -0.014 | -0.002 | 21.055 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | GLY | 0 | 0.004 | 0.006 | 25.813 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | ILE | 0 | -0.022 | -0.013 | 26.893 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | -0.018 | 0.002 | 26.629 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | THR | 0 | 0.009 | -0.005 | 28.486 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | VAL | 0 | -0.024 | 0.006 | 29.959 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | ARG | 1 | 0.878 | 0.920 | 32.174 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | GLU | -1 | -0.848 | -0.928 | 34.561 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | VAL | 0 | -0.033 | -0.023 | 32.037 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | LEU | 0 | -0.007 | -0.003 | 33.741 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | SER | 0 | 0.043 | 0.024 | 32.060 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ASP | -1 | -0.818 | -0.897 | 29.141 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ARG | 1 | 0.813 | 0.894 | 24.277 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | GLU | -1 | -0.936 | -0.966 | 27.070 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | LEU | 0 | -0.026 | -0.020 | 27.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | HIS | 0 | 0.036 | 0.040 | 30.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | LEU | 0 | -0.024 | 0.000 | 26.619 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | SER | 0 | 0.003 | -0.008 | 31.256 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | TRP | 0 | -0.016 | -0.037 | 24.999 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | GLU | -1 | -0.761 | -0.842 | 30.469 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | VAL | 0 | 0.013 | 0.003 | 32.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | GLY | 0 | 0.003 | 0.004 | 35.050 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | LYS | 1 | 0.827 | 0.920 | 28.419 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | PRO | 0 | 0.003 | 0.013 | 27.224 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ARG | 1 | 0.982 | 0.995 | 26.882 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | PRO | 0 | 0.014 | 0.024 | 21.235 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | PRO | 0 | -0.010 | -0.012 | 19.936 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LEU | 0 | -0.038 | 0.003 | 20.514 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ASN | 0 | 0.044 | -0.001 | 16.541 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | ARG | 1 | 0.942 | 0.960 | 12.069 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.040 | -0.012 | 12.135 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | TYR | 0 | -0.024 | -0.002 | 13.721 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | VAL | 0 | 0.019 | 0.015 | 12.888 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | PHE | 0 | -0.027 | -0.031 | 16.138 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | THR | 0 | 0.027 | 0.016 | 19.075 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | GLY | 0 | 0.013 | -0.008 | 21.206 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | TYR | 0 | 0.001 | -0.012 | 23.310 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | ARG | 1 | 0.878 | 0.939 | 27.710 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | VAL | 0 | 0.006 | -0.015 | 31.346 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | THR | 0 | -0.072 | -0.047 | 32.938 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LYS | 1 | 0.986 | 0.977 | 35.676 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASN | 0 | 0.025 | 0.003 | 37.898 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | SER | 0 | 0.022 | 0.020 | 32.675 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LYS | 1 | 0.955 | 1.016 | 28.893 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | VAL | 0 | 0.012 | 0.016 | 28.679 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | GLN | 0 | 0.010 | -0.003 | 21.583 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | ILE | 0 | -0.016 | 0.007 | 24.843 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | GLY | 0 | 0.031 | 0.013 | 21.110 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.844 | -0.915 | 15.017 | 0.764 | 0.764 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | TYR | 0 | -0.008 | -0.011 | 18.852 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | THR | 0 | -0.010 | 0.017 | 15.546 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | PHE | 0 | 0.003 | -0.004 | 18.953 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.806 | -0.868 | 20.473 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.846 | 0.910 | 23.107 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | GLY | 0 | 0.075 | 0.051 | 26.640 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | NME | 0 | -0.033 | -0.007 | 29.160 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | ACE | 0 | -0.004 | -0.015 | 31.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ALA | 0 | -0.006 | -0.008 | 30.703 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | VAL | 0 | -0.078 | -0.037 | 26.035 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | VAL | 0 | 0.069 | 0.042 | 24.593 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | TYR | 0 | -0.016 | -0.004 | 23.289 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | ARG | 1 | 0.840 | 0.898 | 18.701 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | GLY | 0 | 0.003 | -0.015 | 19.344 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | THR | 0 | -0.003 | 0.001 | 16.012 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | THR | 0 | 0.026 | 0.035 | 18.542 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | THR | 0 | -0.015 | -0.007 | 21.840 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | TYR | 0 | 0.054 | 0.012 | 25.282 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | LYS | 1 | 0.846 | 0.921 | 28.134 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | LEU | 0 | 0.017 | 0.021 | 26.828 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | ASN | 0 | -0.028 | -0.022 | 30.653 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | VAL | 0 | 0.066 | 0.013 | 33.041 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | GLY | 0 | -0.038 | 0.000 | 34.530 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | ASP | -1 | -0.812 | -0.894 | 29.370 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | TYR | 0 | -0.033 | -0.022 | 27.844 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | PHE | 0 | -0.041 | -0.015 | 23.767 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | VAL | 0 | 0.011 | -0.003 | 23.043 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | LEU | 0 | -0.014 | -0.005 | 18.109 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | THR | 0 | 0.003 | -0.007 | 16.600 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | SER | 0 | -0.037 | -0.010 | 17.264 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | HIS | 0 | -0.019 | -0.011 | 15.258 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | 0.016 | -0.001 | 18.428 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | VAL | 0 | -0.007 | 0.015 | 17.023 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | MET | 0 | 0.041 | 0.022 | 18.030 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | PRO | 0 | 0.004 | -0.008 | 19.176 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | LEU | 0 | -0.051 | 0.013 | 15.556 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | SER | 0 | -0.046 | -0.028 | 19.460 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ALA | 0 | 0.002 | 0.013 | 17.802 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | PRO | 0 | 0.060 | 0.048 | 18.438 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | THR | 0 | -0.035 | -0.036 | 14.686 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | LEU | 0 | -0.021 | -0.002 | 14.499 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | VAL | 0 | 0.019 | 0.025 | 17.089 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | PRO | 0 | 0.025 | 0.001 | 19.798 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | GLN | 0 | 0.013 | -0.007 | 19.959 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLU | -1 | -0.876 | -0.912 | 22.844 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | HIS | 0 | -0.013 | 0.005 | 23.476 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | TYR | 0 | -0.059 | -0.041 | 23.983 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | VAL | 0 | 0.007 | 0.002 | 28.719 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | ARG | 1 | 0.917 | 0.947 | 30.543 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | ILE | 0 | 0.011 | 0.016 | 25.598 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | THR | 0 | 0.024 | 0.028 | 26.255 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | GLY | 0 | -0.024 | -0.004 | 25.378 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | LEU | 0 | 0.036 | 0.026 | 21.579 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | TYR | 0 | 0.015 | 0.010 | 25.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | PRO | 0 | 0.012 | 0.019 | 26.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | THR | 0 | 0.014 | 0.006 | 26.901 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | LEU | 0 | 0.000 | -0.001 | 28.804 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASN | 0 | -0.025 | -0.004 | 31.146 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | ILE | 0 | -0.021 | -0.010 | 24.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | SER | 0 | 0.020 | 0.002 | 25.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | ASP | -1 | -0.863 | -0.948 | 26.671 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | GLU | -1 | -0.788 | -0.861 | 23.083 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | PHE | 0 | -0.033 | -0.002 | 18.776 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | SER | 0 | 0.015 | 0.021 | 23.064 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | SER | 0 | 0.009 | -0.003 | 21.912 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ASN | 0 | -0.010 | 0.012 | 19.035 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 266 | VAL | 0 | 0.065 | 0.049 | 21.957 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 267 | ALA | 0 | 0.039 | 0.029 | 24.718 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 268 | ASN | 0 | 0.017 | 0.005 | 19.487 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 269 | TYR | 0 | 0.027 | 0.001 | 17.802 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 270 | GLN | 0 | 0.025 | 0.043 | 21.440 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | LYS | 1 | 0.927 | 0.950 | 21.563 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 272 | VAL | 0 | -0.017 | 0.002 | 17.653 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.032 | 0.013 | 20.341 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | MET | 0 | -0.052 | -0.027 | 23.280 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | GLN | 0 | -0.018 | -0.013 | 20.347 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | LYS | 1 | 0.892 | 0.984 | 20.237 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | TYR | 0 | 0.011 | -0.001 | 16.135 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | SER | 0 | 0.003 | 0.014 | 16.321 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | THR | 0 | -0.004 | -0.009 | 13.952 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | LEU | 0 | 0.005 | -0.010 | 13.054 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | GLN | 0 | 0.017 | 0.006 | 12.490 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | GLY | 0 | 0.022 | -0.008 | 12.469 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | PRO | 0 | -0.017 | 0.017 | 12.109 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | -0.019 | 0.007 | 12.476 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | GLY | 0 | 0.034 | 0.025 | 13.085 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | THR | 0 | -0.015 | -0.026 | 14.474 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLY | 0 | 0.001 | 0.006 | 14.375 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | LYS | 1 | 0.898 | 0.951 | 8.528 | 1.581 | 1.581 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | SER | 0 | 0.081 | 0.031 | 10.526 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | HIS | 0 | -0.009 | -0.004 | 12.047 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | PHE | 0 | 0.002 | 0.001 | 14.149 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | ALA | 0 | 0.039 | 0.008 | 11.628 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ILE | 0 | -0.015 | 0.006 | 13.545 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | GLY | 0 | 0.079 | 0.025 | 16.041 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | LEU | 0 | -0.049 | -0.016 | 15.915 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ALA | 0 | 0.000 | -0.001 | 18.090 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | LEU | 0 | -0.019 | -0.002 | 19.752 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 298 | TYR | 0 | -0.021 | -0.012 | 21.967 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 299 | TYR | 0 | -0.017 | -0.036 | 20.963 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 300 | PRO | 0 | 0.030 | 0.040 | 23.018 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | SER | 0 | -0.012 | -0.011 | 24.683 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | ALA | 0 | -0.065 | -0.020 | 21.209 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | ARG | 1 | 0.864 | 0.922 | 19.461 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | ILE | 0 | -0.038 | -0.023 | 14.497 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | 0.003 | 0.009 | 12.208 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | TYR | 0 | -0.022 | -0.030 | 10.139 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | THR | 0 | -0.029 | -0.037 | 7.720 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ALA | 0 | 0.033 | 0.011 | 2.529 | -1.664 | -0.916 | 0.322 | -0.542 | -0.528 | 0.004 |
306 | B | 309 | CYS | 0 | -0.042 | -0.008 | 2.285 | 0.053 | 1.652 | 0.821 | -1.214 | -1.207 | 0.007 |
307 | B | 310 | SER | 0 | 0.019 | 0.018 | 1.842 | -13.212 | -18.515 | 12.465 | -4.086 | -3.076 | 0.034 |
308 | B | 311 | HIS | 0 | 0.124 | 0.053 | 3.811 | -1.127 | -1.028 | 0.006 | 0.026 | -0.131 | 0.001 |
309 | B | 312 | ALA | 0 | 0.024 | 0.026 | 5.640 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | ALA | 0 | 0.025 | 0.026 | 2.437 | -1.850 | -1.537 | 1.484 | -0.849 | -0.947 | 0.006 |
311 | B | 314 | VAL | 0 | 0.039 | 0.015 | 4.483 | -1.421 | -1.353 | 0.000 | -0.020 | -0.047 | 0.000 |
312 | B | 315 | ASP | -1 | -0.726 | -0.850 | 7.077 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | ALA | 0 | 0.017 | 0.018 | 7.676 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.061 | -0.026 | 7.326 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | CYS | 0 | -0.025 | -0.001 | 10.515 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | GLU | -1 | -0.817 | -0.907 | 12.623 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | LYS | 1 | 0.806 | 0.909 | 13.397 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ALA | 0 | 0.036 | 0.006 | 14.629 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | LEU | 0 | -0.030 | 0.001 | 16.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | LYS | 1 | 0.887 | 0.963 | 18.405 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | TYR | 0 | -0.113 | -0.099 | 18.507 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | LEU | 0 | -0.008 | 0.002 | 17.420 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | PRO | 0 | 0.034 | 0.015 | 21.245 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | ILE | 0 | 0.085 | 0.042 | 21.107 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ASP | -1 | -0.891 | -0.930 | 21.942 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | LYS | 1 | 0.849 | 0.904 | 22.596 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | CYS | 0 | -0.047 | -0.005 | 17.611 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | SER | 0 | -0.051 | -0.039 | 17.458 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | ARG | 1 | 0.798 | 0.888 | 9.666 | -1.109 | -1.109 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | ILE | 0 | -0.018 | -0.026 | 13.706 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | ILE | 0 | 0.013 | -0.006 | 13.102 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | PRO | 0 | -0.023 | 0.002 | 13.082 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | ALA | 0 | 0.017 | 0.006 | 16.056 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 337 | NME | 0 | 0.011 | 0.007 | 18.133 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | ACE | 0 | 0.019 | -0.001 | 17.015 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | VAL | 0 | -0.070 | -0.050 | 11.197 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | GLU | -1 | -0.951 | -0.953 | 14.563 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | CYS | 0 | -0.078 | -0.042 | 11.477 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | PHE | 0 | -0.001 | -0.016 | 12.543 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.870 | -0.895 | 14.399 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | LYS | 1 | 0.902 | 0.964 | 17.462 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | PHE | 0 | -0.030 | -0.013 | 15.004 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | LYS | 1 | 0.870 | 0.937 | 19.417 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | VAL | 0 | 0.052 | 0.024 | 17.960 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | ASN | 0 | -0.044 | -0.018 | 17.682 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | SER | 0 | 0.013 | 0.019 | 19.415 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | THR | 0 | 0.049 | -0.005 | 18.955 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LEU | 0 | -0.011 | -0.005 | 20.042 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | GLU | -1 | -0.832 | -0.886 | 20.124 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | GLN | 0 | -0.046 | -0.035 | 20.263 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | TYR | 0 | -0.001 | -0.027 | 16.767 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | VAL | 0 | -0.007 | 0.003 | 14.377 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | PHE | 0 | 0.031 | 0.013 | 11.240 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | CYS | 0 | 0.005 | 0.011 | 10.112 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | 0.004 | 0.033 | 6.256 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | VAL | 0 | 0.035 | 0.008 | 6.239 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | ASN | 0 | -0.024 | -0.008 | 8.659 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | ALA | 0 | 0.000 | 0.003 | 10.948 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LEU | 0 | -0.011 | -0.001 | 10.419 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | PRO | 0 | -0.004 | -0.002 | 13.545 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | GLU | -1 | -0.865 | -0.903 | 16.895 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | THR | 0 | -0.040 | -0.012 | 17.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | THR | 0 | 0.033 | 0.022 | 19.294 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | ALA | 0 | 0.000 | 0.001 | 17.544 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | ASP | -1 | -0.774 | -0.856 | 19.548 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | ILE | 0 | -0.021 | -0.032 | 15.544 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | VAL | 0 | 0.020 | 0.024 | 11.924 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | VAL | 0 | -0.014 | 0.001 | 9.744 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | PHE | 0 | 0.026 | 0.002 | 4.564 | 0.251 | 0.286 | -0.001 | -0.002 | -0.033 | 0.000 |
370 | B | 374 | ASP | -1 | -0.763 | -0.839 | 5.583 | -2.434 | -2.434 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | GLU | -1 | -0.780 | -0.826 | 1.625 | -23.206 | -31.974 | 19.272 | -7.411 | -3.092 | -0.060 |
372 | B | 376 | ILE | 0 | 0.035 | 0.010 | 3.772 | -1.950 | -1.612 | 0.001 | -0.221 | -0.118 | -0.001 |
373 | B | 377 | SER | 0 | 0.021 | 0.008 | 6.459 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | MET | 0 | -0.020 | 0.016 | 3.406 | 0.492 | 0.835 | 0.015 | -0.149 | -0.209 | 0.000 |
375 | B | 379 | ALA | 0 | -0.010 | 0.012 | 5.500 | 1.132 | 1.132 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | THR | 0 | -0.027 | -0.010 | 6.540 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ASN | 0 | 0.029 | -0.028 | 10.068 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | TYR | 0 | -0.002 | -0.012 | 12.168 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | ASP | -1 | -0.769 | -0.864 | 7.826 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | LEU | 0 | -0.061 | -0.011 | 9.406 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | SER | 0 | 0.013 | 0.009 | 11.364 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | VAL | 0 | 0.017 | 0.004 | 11.895 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | VAL | 0 | 0.015 | 0.004 | 9.309 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | ASN | 0 | -0.040 | -0.007 | 12.530 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | ALA | 0 | -0.055 | -0.023 | 15.850 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | ARG | 1 | 0.825 | 0.918 | 14.707 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.053 | 0.028 | 12.555 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.814 | 0.923 | 16.685 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ALA | 0 | 0.033 | 0.013 | 17.416 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | LYS | 1 | 0.788 | 0.889 | 19.360 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | HIS | 1 | 0.816 | 0.905 | 18.822 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | TYR | 0 | 0.009 | 0.000 | 14.051 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | VAL | 0 | 0.001 | 0.000 | 13.136 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | TYR | 0 | -0.008 | -0.008 | 9.775 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | ILE | 0 | 0.011 | -0.002 | 9.008 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | GLY | 0 | 0.054 | 0.016 | 7.558 | -0.765 | -0.765 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | ASP | -1 | -0.690 | -0.816 | 8.829 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | PRO | 0 | 0.027 | 0.017 | 10.648 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | ALA | 0 | -0.004 | 0.012 | 12.695 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLN | 0 | -0.079 | -0.045 | 9.302 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LEU | 0 | 0.000 | 0.008 | 8.939 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | PRO | 0 | -0.011 | 0.021 | 7.894 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | ALA | 0 | 0.064 | 0.026 | 7.439 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | PRO | 0 | -0.050 | -0.020 | 8.626 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | ARG | 1 | 0.837 | 0.924 | 10.728 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | THR | 0 | -0.021 | -0.014 | 14.559 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | LEU | 0 | 0.001 | 0.003 | 16.735 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | -0.074 | -0.003 | 17.401 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | THR | 0 | -0.027 | -0.027 | 19.726 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | LYS | 1 | 0.840 | 0.926 | 22.547 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 415 | GLY | 0 | 0.043 | 0.020 | 23.823 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 416 | THR | 0 | -0.022 | -0.022 | 19.146 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 417 | LEU | 0 | 0.009 | 0.016 | 14.359 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 418 | GLU | -1 | -0.787 | -0.879 | 17.064 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | PRO | 0 | 0.040 | 0.002 | 14.725 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLU | -1 | -0.853 | -0.877 | 14.879 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | TYR | 0 | -0.016 | -0.032 | 16.811 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | PHE | 0 | -0.036 | 0.015 | 11.084 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | ASN | 0 | 0.066 | 0.025 | 8.958 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | SER | 0 | 0.060 | 0.006 | 12.833 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | VAL | 0 | 0.007 | 0.015 | 11.160 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | CYS | 0 | -0.070 | -0.039 | 10.847 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | ARG | 1 | 0.882 | 0.933 | 13.608 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | LEU | 0 | -0.003 | 0.018 | 16.794 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | MET | 0 | -0.043 | -0.021 | 11.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | LYS | 1 | 0.883 | 0.945 | 16.525 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | THR | 0 | -0.072 | -0.033 | 19.022 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | ILE | 0 | 0.000 | 0.001 | 20.616 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | GLY | 0 | 0.032 | 0.038 | 20.331 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | PRO | 0 | -0.059 | -0.033 | 16.523 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | ASP | -1 | -0.770 | -0.819 | 18.021 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 436 | MET | 0 | -0.059 | -0.002 | 16.545 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 437 | PHE | 0 | 0.039 | 0.022 | 17.199 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 438 | LEU | 0 | -0.044 | 0.002 | 14.600 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLY | 0 | 0.066 | 0.015 | 18.159 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | THR | 0 | -0.006 | 0.002 | 20.521 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | CYS | 0 | -0.050 | -0.013 | 17.534 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | ARG | 1 | 1.007 | 0.993 | 19.056 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | ARG | 1 | 0.795 | 0.899 | 12.472 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | CYS | 0 | -0.047 | -0.010 | 18.732 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | PRO | 0 | 0.072 | 0.047 | 21.123 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | ALA | 0 | 0.050 | 0.024 | 24.161 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | GLU | -1 | -0.681 | -0.810 | 26.007 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ILE | 0 | -0.008 | 0.001 | 20.308 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | VAL | 0 | -0.025 | -0.019 | 21.164 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | ASP | -1 | -0.875 | -0.940 | 22.584 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | THR | 0 | -0.057 | -0.026 | 23.038 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | VAL | 0 | 0.037 | 0.004 | 18.592 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | SER | 0 | -0.032 | -0.024 | 20.976 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | ALA | 0 | 0.004 | 0.008 | 22.575 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | LEU | 0 | -0.092 | -0.025 | 19.923 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | VAL | 0 | -0.015 | -0.021 | 17.313 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | TYR | 0 | -0.043 | -0.040 | 14.352 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ASP | -1 | -0.749 | -0.850 | 20.712 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | ASN | 0 | -0.016 | 0.005 | 24.312 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.857 | 0.923 | 21.154 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.068 | -0.019 | 18.429 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | LYS | 1 | 0.899 | 0.950 | 22.089 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ALA | 0 | 0.003 | 0.001 | 22.967 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | HIS | 0 | -0.001 | 0.007 | 23.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | LYS | 1 | 0.776 | 0.899 | 22.422 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | ASP | -1 | -0.803 | -0.876 | 26.482 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.872 | 0.947 | 28.108 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | SER | 0 | -0.042 | -0.025 | 27.246 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | ALA | 0 | -0.031 | -0.003 | 29.539 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLN | 0 | 0.003 | 0.015 | 28.870 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | CYS | 0 | -0.029 | 0.009 | 26.504 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | PHE | 0 | 0.039 | 0.018 | 28.130 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | LYS | 1 | 0.807 | 0.908 | 28.069 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | MET | 0 | 0.016 | 0.018 | 29.800 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | PHE | 0 | 0.002 | 0.011 | 30.591 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | TYR | 0 | 0.076 | 0.029 | 31.745 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | LYS | 1 | 0.878 | 0.932 | 31.497 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLY | 0 | 0.028 | 0.043 | 32.227 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | VAL | 0 | 0.013 | -0.003 | 33.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | ILE | 0 | -0.008 | 0.016 | 28.901 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | THR | 0 | -0.032 | -0.004 | 30.692 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | HIS | 0 | 0.047 | 0.016 | 28.856 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ASP | -1 | -0.739 | -0.836 | 26.689 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | VAL | 0 | -0.004 | 0.000 | 26.107 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | SER | 0 | -0.017 | -0.016 | 22.837 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | SER | 0 | -0.065 | -0.055 | 21.839 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | ALA | 0 | 0.035 | 0.028 | 24.026 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | ILE | 0 | -0.034 | -0.021 | 25.260 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASN | 0 | -0.002 | -0.034 | 27.824 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | ARG | 1 | 0.978 | 0.975 | 29.685 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | PRO | 0 | 0.015 | 0.019 | 31.872 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | GLN | 0 | 0.036 | 0.016 | 27.566 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | ILE | 0 | -0.024 | 0.005 | 27.245 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLY | 0 | -0.017 | -0.017 | 30.087 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | VAL | 0 | 0.031 | 0.012 | 32.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | VAL | 0 | -0.006 | 0.000 | 27.677 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.905 | 0.941 | 30.964 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | GLU | -1 | -0.805 | -0.905 | 33.353 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | PHE | 0 | -0.028 | -0.003 | 30.329 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | LEU | 0 | 0.030 | 0.006 | 29.094 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | THR | 0 | -0.083 | -0.033 | 33.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | ARG | 1 | 0.967 | 0.990 | 36.688 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | ASN | 0 | -0.081 | -0.024 | 33.169 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | PRO | 0 | 0.050 | 0.006 | 32.813 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ALA | 0 | 0.028 | 0.022 | 31.758 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | TRP | 0 | -0.013 | -0.022 | 26.226 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ARG | 1 | 0.909 | 0.959 | 27.946 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 508 | LYS | 1 | 0.899 | 0.975 | 26.108 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 509 | ALA | 0 | -0.020 | 0.007 | 23.908 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 510 | VAL | 0 | -0.002 | 0.001 | 17.795 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 511 | PHE | 0 | -0.010 | -0.005 | 21.234 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 512 | ILE | 0 | 0.012 | -0.011 | 16.107 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 513 | SER | 0 | 0.008 | -0.010 | 18.838 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 514 | PRO | 0 | -0.017 | -0.013 | 17.774 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 515 | TYR | 0 | 0.018 | 0.018 | 18.526 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 516 | ASN | 0 | 0.009 | -0.014 | 18.201 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 517 | SER | 0 | -0.010 | -0.028 | 20.143 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 518 | GLN | 0 | 0.063 | 0.038 | 23.063 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 519 | ASN | 0 | -0.037 | -0.010 | 18.181 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 520 | ALA | 0 | 0.030 | 0.023 | 22.452 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 521 | VAL | 0 | 0.026 | -0.001 | 24.588 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 522 | ALA | 0 | 0.043 | 0.015 | 24.738 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 523 | SER | 0 | -0.076 | -0.045 | 24.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 524 | LYS | 1 | 0.840 | 0.930 | 25.795 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 525 | ILE | 0 | -0.027 | -0.014 | 29.578 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 526 | LEU | 0 | -0.054 | -0.024 | 26.912 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 527 | GLY | 0 | 0.014 | 0.020 | 27.998 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 528 | LEU | 0 | -0.029 | 0.000 | 24.323 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 529 | PRO | 0 | 0.009 | 0.034 | 20.258 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 530 | THR | 0 | 0.007 | -0.004 | 20.008 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 531 | GLN | 0 | 0.035 | 0.036 | 13.859 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 532 | THR | 0 | -0.038 | -0.014 | 14.152 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 533 | VAL | 0 | 0.047 | 0.021 | 13.374 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 534 | ASP | -1 | -0.765 | -0.832 | 10.708 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 535 | SER | 0 | -0.027 | -0.030 | 9.278 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 536 | SER | 0 | -0.036 | -0.019 | 10.664 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 537 | GLN | 0 | 0.021 | -0.002 | 5.115 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 538 | GLY | 0 | 0.012 | 0.002 | 7.601 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 539 | SER | 0 | -0.017 | 0.001 | 8.658 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 540 | GLU | -1 | -0.845 | -0.914 | 11.932 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 541 | TYR | 0 | 0.070 | 0.014 | 14.354 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 542 | ASP | -1 | -0.771 | -0.850 | 18.901 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 543 | TYR | 0 | -0.031 | -0.033 | 22.455 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 544 | VAL | 0 | 0.008 | 0.014 | 18.906 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 545 | ILE | 0 | 0.025 | 0.003 | 21.898 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 546 | PHE | 0 | 0.022 | -0.004 | 19.259 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 547 | THR | 0 | 0.031 | 0.033 | 22.748 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 548 | GLN | 0 | 0.081 | 0.030 | 22.991 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 549 | THR | 0 | -0.047 | -0.023 | 23.797 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 550 | THR | 0 | 0.019 | 0.004 | 24.730 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 551 | GLU | -1 | -0.738 | -0.805 | 25.803 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 552 | THR | 0 | -0.018 | -0.006 | 23.532 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 553 | ALA | 0 | 0.086 | 0.038 | 22.712 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 554 | HIS | 0 | -0.003 | 0.007 | 16.651 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 555 | SER | 0 | -0.003 | -0.016 | 19.188 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 556 | CYS | 0 | -0.042 | 0.013 | 21.337 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 557 | ASN | 0 | 0.038 | 0.049 | 16.280 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 558 | VAL | 0 | 0.042 | 0.010 | 18.377 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 559 | ASN | 0 | 0.028 | 0.016 | 13.091 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 560 | ARG | 1 | 0.724 | 0.837 | 13.650 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 561 | PHE | 0 | 0.063 | 0.017 | 15.261 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 562 | ASN | 0 | 0.001 | -0.029 | 14.387 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 563 | VAL | 0 | -0.015 | 0.020 | 10.959 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 564 | ALA | 0 | -0.044 | -0.007 | 13.801 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 565 | ILE | 0 | 0.038 | -0.003 | 16.508 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 566 | THR | 0 | -0.020 | -0.023 | 15.078 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 567 | ARG | 1 | 0.806 | 0.909 | 10.955 | 0.599 | 0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 568 | ALA | 0 | 0.028 | 0.020 | 16.061 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 569 | LYS | 1 | 0.864 | 0.930 | 19.125 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 570 | VAL | 0 | -0.024 | -0.007 | 21.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 571 | GLY | 0 | 0.062 | 0.026 | 24.579 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 572 | ILE | 0 | -0.042 | -0.027 | 20.986 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 573 | LEU | 0 | 0.019 | 0.025 | 24.665 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 574 | CYS | 0 | -0.042 | -0.004 | 23.811 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 575 | ILE | 0 | 0.002 | 0.000 | 25.945 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 576 | MET | 0 | -0.040 | -0.009 | 24.410 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 577 | SER | 0 | 0.015 | -0.025 | 27.393 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 578 | ASP | -1 | -0.743 | -0.857 | 26.702 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 579 | ARG | 1 | 0.874 | 0.925 | 28.725 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 580 | ASP | -1 | -0.745 | -0.821 | 27.308 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 581 | LEU | 0 | 0.002 | -0.012 | 22.572 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 582 | TYR | 0 | 0.000 | -0.008 | 26.414 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 583 | ASP | -1 | -0.781 | -0.855 | 28.869 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 584 | LYS | 1 | 0.825 | 0.909 | 25.683 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 585 | LEU | 0 | -0.030 | 0.006 | 23.958 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 586 | GLN | 0 | -0.034 | -0.002 | 27.193 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 587 | PHE | 0 | 0.000 | -0.025 | 23.499 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 588 | THR | 0 | 0.068 | 0.043 | 29.836 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 589 | SER | 0 | -0.007 | -0.006 | 32.314 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 590 | LEU | 0 | -0.062 | -0.034 | 32.744 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 591 | GLU | -1 | -0.840 | -0.910 | 35.696 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 592 | ILE | 0 | -0.132 | -0.086 | 36.068 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 593 | PRO | -1 | -0.924 | -0.954 | 37.366 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 801 | HOH | 0 | -0.012 | -0.016 | 18.612 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 803 | HOH | 0 | 0.007 | -0.006 | 17.110 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 804 | HOH | 0 | -0.022 | -0.034 | 41.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 805 | HOH | 0 | -0.036 | -0.043 | 27.275 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 806 | HOH | 0 | -0.050 | -0.050 | 32.149 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 808 | HOH | 0 | 0.001 | -0.005 | 17.558 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 809 | HOH | 0 | -0.034 | -0.047 | 14.734 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 812 | HOH | 0 | -0.013 | -0.024 | 2.342 | 1.430 | 2.903 | 0.356 | -1.126 | -0.702 | -0.007 |
598 | B | 813 | HOH | 0 | -0.030 | -0.024 | 31.470 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 814 | HOH | 0 | -0.032 | -0.039 | 21.194 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 817 | HOH | 0 | -0.027 | -0.023 | 23.837 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 819 | HOH | 0 | 0.003 | 0.000 | 19.757 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 820 | HOH | 0 | -0.011 | -0.014 | 28.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 821 | HOH | 0 | -0.020 | -0.037 | 16.167 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 822 | HOH | 0 | 0.034 | 0.018 | 21.215 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 823 | HOH | 0 | -0.025 | -0.031 | 22.335 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 824 | HOH | 0 | -0.008 | -0.007 | 24.333 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 825 | HOH | 0 | 0.004 | -0.001 | 25.283 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 826 | HOH | 0 | -0.001 | -0.001 | 30.292 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 828 | HOH | 0 | -0.010 | -0.007 | 32.129 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 829 | HOH | 0 | -0.017 | -0.028 | 20.086 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 830 | HOH | 0 | -0.018 | -0.016 | 12.704 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 832 | HOH | 0 | -0.010 | -0.030 | 8.992 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 833 | HOH | 0 | -0.020 | -0.025 | 28.750 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 834 | HOH | 0 | -0.033 | -0.044 | 25.939 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 835 | HOH | 0 | -0.050 | -0.040 | 19.109 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 836 | HOH | 0 | -0.027 | -0.022 | 25.385 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 838 | HOH | 0 | -0.036 | -0.033 | 24.826 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 839 | HOH | 0 | 0.014 | 0.003 | 24.353 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 840 | HOH | 0 | -0.018 | -0.027 | 21.261 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 841 | HOH | 0 | 0.005 | -0.005 | 11.646 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 842 | HOH | 0 | 0.009 | -0.018 | 15.252 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 844 | HOH | 0 | -0.055 | -0.041 | 6.316 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 845 | HOH | 0 | -0.015 | -0.018 | 17.583 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 846 | HOH | 0 | -0.010 | -0.005 | 29.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 847 | HOH | 0 | -0.020 | -0.027 | 26.667 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 849 | HOH | 0 | -0.028 | -0.025 | 6.540 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 853 | HOH | 0 | -0.023 | -0.021 | 19.861 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 855 | HOH | 0 | -0.034 | -0.044 | 6.466 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 856 | HOH | 0 | -0.020 | -0.024 | 23.464 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 857 | HOH | 0 | -0.011 | -0.016 | 30.411 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 858 | HOH | 0 | -0.026 | -0.018 | 18.969 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 859 | HOH | 0 | -0.014 | -0.005 | 11.736 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 861 | HOH | 0 | -0.030 | -0.019 | 17.608 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 863 | HOH | 0 | -0.028 | -0.020 | 25.568 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 864 | HOH | 0 | -0.028 | -0.027 | 30.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 865 | HOH | 0 | -0.011 | -0.005 | 8.459 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 867 | HOH | 0 | 0.011 | 0.004 | 13.734 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 869 | HOH | 0 | -0.042 | -0.038 | 13.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 871 | HOH | 0 | 0.022 | -0.009 | 10.242 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 872 | HOH | 0 | -0.037 | -0.029 | 24.782 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 873 | HOH | 0 | 0.015 | -0.004 | 1.800 | -9.247 | -13.423 | 9.777 | -3.687 | -1.915 | -0.048 |
642 | B | 875 | HOH | 0 | -0.047 | -0.042 | 24.626 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 876 | HOH | 0 | 0.023 | 0.000 | 22.419 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 880 | HOH | 0 | 0.016 | 0.008 | 31.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 882 | HOH | 0 | 0.005 | -0.007 | 6.895 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 883 | HOH | 0 | -0.008 | -0.009 | 16.615 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 885 | HOH | 0 | -0.035 | -0.037 | 27.832 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 887 | HOH | 0 | -0.034 | -0.020 | 21.195 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 888 | HOH | 0 | -0.010 | -0.021 | 55.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 891 | HOH | 0 | -0.009 | -0.020 | 23.224 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 893 | HOH | 0 | -0.016 | -0.023 | 17.439 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 895 | HOH | 0 | 0.042 | 0.033 | 18.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 896 | HOH | 0 | -0.047 | -0.041 | 23.115 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 897 | HOH | 0 | -0.070 | -0.058 | 17.356 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 900 | HOH | 0 | 0.001 | -0.013 | 14.357 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 901 | HOH | 0 | -0.008 | -0.025 | 32.186 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 903 | HOH | 0 | -0.042 | -0.038 | 22.949 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 904 | HOH | 0 | -0.002 | -0.017 | 12.700 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 906 | HOH | 0 | -0.013 | -0.033 | 14.103 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 907 | HOH | 0 | 0.003 | 0.001 | 11.627 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 908 | HOH | 0 | 0.007 | 0.006 | 33.555 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 910 | HOH | 0 | -0.004 | -0.016 | 29.558 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 911 | HOH | 0 | 0.025 | 0.003 | 15.862 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 912 | HOH | 0 | -0.005 | -0.023 | 12.501 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 913 | HOH | 0 | 0.002 | -0.006 | 20.184 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 914 | HOH | 0 | -0.053 | -0.040 | 17.043 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 915 | HOH | 0 | -0.011 | -0.017 | 21.562 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 916 | HOH | 0 | -0.051 | -0.044 | 35.492 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 918 | HOH | 0 | -0.007 | -0.024 | 22.774 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 921 | HOH | 0 | 0.000 | -0.007 | 21.325 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 922 | HOH | 0 | 0.005 | -0.008 | 23.196 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 923 | HOH | 0 | -0.013 | -0.015 | 6.644 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 924 | HOH | 0 | -0.028 | -0.013 | 13.327 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 925 | HOH | 0 | -0.022 | -0.023 | 14.252 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 926 | HOH | 0 | 0.032 | 0.011 | 6.970 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 927 | HOH | 0 | -0.018 | -0.024 | 25.067 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 928 | HOH | 0 | 0.011 | -0.003 | 23.141 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 929 | HOH | 0 | 0.023 | 0.012 | 16.427 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 930 | HOH | 0 | -0.023 | -0.031 | 28.335 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 932 | HOH | 0 | 0.022 | 0.009 | 6.434 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 933 | HOH | 0 | -0.009 | -0.040 | 16.882 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 934 | HOH | 0 | 0.032 | 0.018 | 25.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 936 | HOH | 0 | -0.032 | -0.028 | 21.002 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 938 | HOH | 0 | -0.011 | -0.027 | 20.519 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 939 | HOH | 0 | 0.000 | -0.007 | 23.444 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 940 | HOH | 0 | 0.038 | 0.018 | 35.034 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 941 | HOH | 0 | 0.006 | 0.001 | 35.814 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 942 | HOH | 0 | -0.033 | -0.022 | 29.217 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 944 | HOH | 0 | -0.019 | -0.024 | 22.495 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 945 | HOH | 0 | -0.011 | -0.009 | 14.734 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 946 | HOH | 0 | 0.013 | 0.006 | 20.058 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 948 | HOH | 0 | -0.003 | 0.000 | 26.727 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 949 | HOH | 0 | -0.032 | -0.030 | 22.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 950 | HOH | 0 | 0.004 | -0.012 | 21.279 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 951 | HOH | 0 | -0.008 | -0.014 | 16.913 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 952 | HOH | 0 | -0.002 | -0.007 | 5.256 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 953 | HOH | 0 | -0.056 | -0.047 | 30.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 954 | HOH | 0 | 0.008 | -0.005 | 15.889 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 955 | HOH | 0 | 0.008 | 0.001 | 26.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 956 | HOH | 0 | -0.040 | -0.037 | 29.326 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 959 | HOH | 0 | -0.004 | -0.018 | 29.212 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 960 | HOH | 0 | -0.023 | -0.027 | 18.588 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 961 | HOH | 0 | -0.007 | -0.019 | 24.507 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 962 | HOH | 0 | 0.008 | 0.012 | 17.141 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 963 | HOH | 0 | 0.030 | 0.017 | 27.418 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 972 | HOH | 0 | -0.022 | -0.019 | 22.354 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 975 | HOH | 0 | 0.002 | -0.007 | 47.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 976 | HOH | 0 | -0.005 | -0.010 | 21.175 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 977 | HOH | 0 | -0.023 | -0.025 | 35.862 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | B | 978 | HOH | 0 | -0.010 | -0.014 | 31.226 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | B | 979 | HOH | 0 | 0.011 | 0.009 | 10.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | B | 980 | HOH | 0 | 0.029 | 0.015 | 26.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | B | 981 | HOH | 0 | -0.007 | -0.008 | 13.131 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | B | 982 | HOH | 0 | 0.006 | 0.004 | 14.843 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | B | 983 | HOH | 0 | -0.012 | -0.023 | 25.830 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | B | 984 | HOH | 0 | -0.042 | -0.028 | 25.699 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | B | 985 | HOH | 0 | -0.020 | -0.016 | 21.115 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | B | 987 | HOH | 0 | 0.022 | 0.016 | 19.893 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | B | 988 | HOH | 0 | 0.001 | -0.005 | 37.500 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | B | 996 | HOH | 0 | -0.039 | -0.028 | 19.817 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | B | 998 | HOH | 0 | -0.016 | -0.020 | 29.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | B | 999 | HOH | 0 | 0.006 | -0.029 | 13.990 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | B | 1002 | HOH | 0 | 0.016 | 0.004 | 27.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | B | 1003 | HOH | 0 | -0.001 | -0.003 | 32.642 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | B | 1004 | HOH | 0 | -0.023 | -0.025 | 20.189 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | B | 1008 | HOH | 0 | -0.006 | -0.014 | 25.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | B | 1010 | HOH | 0 | -0.014 | 0.000 | 34.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | B | 1012 | HOH | 0 | 0.030 | 0.021 | 20.079 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | B | 1013 | HOH | 0 | 0.052 | 0.032 | 36.860 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | B | 1014 | HOH | 0 | -0.053 | -0.041 | 1.797 | -5.089 | -11.649 | 11.698 | -3.508 | -1.630 | 0.037 |
732 | B | 1017 | HOH | 0 | -0.037 | -0.042 | 32.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | B | 1019 | HOH | 0 | -0.014 | -0.019 | 10.661 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | B | 1028 | HOH | 0 | -0.010 | -0.030 | 6.402 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | B | 1029 | HOH | 0 | 0.002 | 0.005 | 6.427 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | B | 1030 | HOH | 0 | 0.038 | 0.028 | 34.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | B | 1031 | HOH | 0 | 0.015 | 0.006 | 16.412 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | B | 1033 | HOH | 0 | -0.022 | -0.022 | 33.446 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | B | 1034 | HOH | 0 | 0.000 | 0.000 | 5.577 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | B | 1035 | HOH | 0 | 0.013 | 0.009 | 19.896 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | B | 1036 | HOH | 0 | 0.006 | 0.002 | 24.477 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | B | 1037 | HOH | 0 | -0.022 | -0.017 | 8.583 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | B | 1039 | HOH | 0 | 0.007 | 0.005 | 27.587 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | B | 1040 | HOH | 0 | -0.003 | 0.002 | 21.282 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | B | 1043 | HOH | 0 | 0.010 | 0.002 | 6.277 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | B | 701 | VWJ | 1 | 0.970 | 0.986 | 26.194 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |