FMODB ID: 591GZ
Calculation Name: 5RLC-B-Xray89
Preferred Name:
Target Type:
Ligand Name: 4-amino-n-phenylbenzene-1-sulfonamide
ligand 3-letter code: VVM
PDB ID: 5RLC
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 | 734 |
LigandCharge | VVM=-1,CYM=-1 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -13442958.26446 |
---|---|
FMO2-HF: Nuclear repulsion | 13198358.863371 |
FMO2-HF: Total energy | -244599.401089 |
FMO2-MP2: Total energy | -245295.461829 |
3D Structure
Ligand structure
VVM
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. |
-34.456 | -38.733 | 22.856 | -10.100 | -8.482 | -0.010 |
Interactive mode: IFIE and PIEDA for fragment #701(B:963:HOH )
Summations of interaction energy for
fragment #701(B:963: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. |
-34.456 | -38.733 | 22.856 | -10.1 | -8.482 | 0.01 |
Interaction energy analysis for fragmet #701(B:963: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 | -0.038 | -0.043 | 41.546 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
2 | B | 3 | GLY | 0 | -0.012 | 0.004 | 38.457 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
3 | B | 4 | ALA | 0 | 0.025 | 0.017 | 36.265 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
4 | B | 5 | CYM | -1 | -0.829 | -0.796 | 35.197 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | VAL | 0 | 0.009 | -0.006 | 29.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | LEU | 0 | -0.014 | -0.028 | 29.084 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | CYS | 0 | -0.047 | -0.006 | 31.916 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASN | 0 | 0.007 | 0.001 | 35.425 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | SER | 0 | 0.025 | -0.012 | 36.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | GLN | 0 | 0.043 | 0.021 | 39.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | THR | 0 | -0.021 | -0.006 | 39.132 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | SER | 0 | -0.008 | -0.011 | 41.200 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | LEU | 0 | 0.006 | 0.031 | 39.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | ARG | 1 | 0.907 | 0.967 | 35.003 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | CYM | -1 | -0.805 | -0.764 | 31.921 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | GLY | 0 | -0.008 | -0.031 | 33.061 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | 0.000 | -0.007 | 30.910 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | CYS | 0 | 0.018 | -0.015 | 27.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | ILE | 0 | -0.033 | -0.007 | 23.625 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ARG | 1 | 0.755 | 0.861 | 25.594 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.863 | 0.955 | 28.719 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | PRO | 0 | 0.025 | 0.029 | 29.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | PHE | 0 | 0.014 | -0.020 | 31.660 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | LEU | 0 | -0.005 | -0.003 | 31.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | CYS | 0 | -0.041 | -0.077 | 35.433 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | CYS | 0 | -0.023 | -0.024 | 38.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.850 | 0.901 | 38.062 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | CYS | 0 | 0.051 | 0.021 | 34.037 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | CYS | 0 | -0.040 | -0.014 | 34.584 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | TYR | 0 | 0.038 | 0.029 | 35.698 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ASP | -1 | -0.801 | -0.899 | 34.055 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | HIS | 1 | 0.785 | 0.877 | 28.771 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | VAL | 0 | 0.007 | 0.011 | 32.232 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | ILE | 0 | -0.071 | -0.030 | 34.706 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | SER | 0 | -0.031 | -0.038 | 31.247 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | THR | 0 | -0.026 | -0.006 | 28.147 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | SER | 0 | 0.016 | -0.002 | 28.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | HIS | 0 | 0.006 | -0.022 | 27.655 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | LYS | 1 | 0.902 | 0.958 | 32.090 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | LEU | 0 | 0.017 | 0.028 | 35.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | VAL | 0 | 0.007 | 0.000 | 35.801 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | LEU | 0 | -0.025 | -0.018 | 36.091 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | SER | 0 | -0.027 | -0.037 | 39.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | VAL | 0 | -0.011 | -0.010 | 42.242 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 46 | ASN | 0 | 0.013 | 0.017 | 44.776 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PRO | 0 | 0.007 | 0.000 | 40.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | TYR | 0 | -0.089 | -0.069 | 41.738 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | VAL | 0 | 0.014 | 0.003 | 42.136 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | CYS | 0 | -0.046 | 0.012 | 44.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ASN | 0 | 0.003 | -0.003 | 47.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | 0.007 | 0.006 | 49.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | PRO | 0 | -0.001 | -0.017 | 50.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | GLY | 0 | 0.001 | 0.019 | 49.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | CYS | 0 | -0.065 | -0.043 | 48.203 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ASP | -1 | -0.877 | -0.930 | 42.916 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | VAL | 0 | -0.003 | -0.012 | 42.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | THR | 0 | 0.029 | -0.009 | 39.114 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ASP | -1 | -0.819 | -0.886 | 38.808 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | VAL | 0 | 0.063 | 0.019 | 38.773 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | THR | 0 | -0.025 | -0.041 | 39.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLN | 0 | -0.075 | -0.027 | 42.146 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | -0.040 | -0.012 | 42.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | TYR | 0 | -0.016 | -0.022 | 46.240 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | LEU | 0 | 0.021 | 0.035 | 49.290 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | 0.016 | -0.012 | 50.983 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | GLY | 0 | 0.005 | 0.019 | 54.518 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | MET | 0 | -0.041 | -0.033 | 53.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | SER | 0 | 0.017 | 0.021 | 51.159 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | TYR | 0 | -0.002 | -0.013 | 47.293 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | TYR | 0 | 0.023 | 0.007 | 49.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | CYS | 0 | 0.020 | 0.032 | 47.358 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | LYS | 1 | 1.003 | 0.979 | 48.723 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | -0.011 | -0.020 | 50.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | HIS | 0 | 0.068 | 0.015 | 50.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | LYS | 1 | 0.822 | 0.927 | 52.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | PRO | 0 | 0.047 | 0.041 | 54.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | PRO | 0 | -0.005 | -0.013 | 57.076 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | ILE | 0 | 0.002 | 0.009 | 58.566 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | SER | 0 | 0.057 | 0.016 | 53.379 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | PHE | 0 | -0.018 | 0.012 | 49.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | PRO | 0 | -0.008 | 0.008 | 47.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | LEU | 0 | -0.021 | -0.011 | 44.503 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | CYS | 0 | -0.038 | -0.003 | 41.870 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | ALA | 0 | 0.042 | 0.005 | 44.181 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | ASN | 0 | -0.015 | -0.004 | 45.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | GLY | 0 | 0.020 | 0.013 | 41.715 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLN | 0 | -0.010 | -0.006 | 41.051 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | VAL | 0 | 0.029 | 0.016 | 39.235 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | PHE | 0 | 0.066 | 0.029 | 42.359 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | GLY | 0 | 0.076 | 0.042 | 44.332 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | LEU | 0 | -0.031 | -0.021 | 45.325 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 93 | TYR | 0 | 0.027 | 0.010 | 44.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 94 | LYS | 1 | 0.932 | 0.973 | 45.204 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | ASN | 0 | -0.012 | -0.005 | 46.006 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | THR | 0 | -0.028 | -0.005 | 45.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | CYS | 0 | -0.038 | -0.016 | 41.632 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | VAL | 0 | 0.039 | 0.023 | 39.469 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | GLY | 0 | 0.037 | 0.011 | 37.358 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | SER | 0 | -0.058 | -0.047 | 32.572 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | ASP | -1 | -0.863 | -0.909 | 32.272 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | ASN | 0 | 0.027 | -0.003 | 28.193 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | VAL | 0 | 0.008 | 0.019 | 28.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | THR | 0 | -0.028 | -0.036 | 24.932 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | ASP | -1 | -0.802 | -0.876 | 23.261 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | PHE | 0 | 0.010 | -0.007 | 23.373 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | ASN | 0 | 0.035 | 0.011 | 25.447 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | ALA | 0 | 0.060 | 0.055 | 20.596 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ILE | 0 | 0.011 | 0.011 | 20.321 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ALA | 0 | -0.052 | -0.026 | 21.611 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | -0.024 | -0.025 | 23.399 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | CYS | 0 | -0.050 | 0.027 | 17.709 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | ASP | -1 | -0.820 | -0.865 | 16.380 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | TRP | 0 | -0.011 | -0.021 | 14.897 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | THR | 0 | 0.005 | -0.011 | 12.687 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | ASN | 0 | -0.009 | -0.013 | 10.673 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 117 | ALA | 0 | 0.036 | 0.014 | 7.307 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | GLY | 0 | 0.005 | -0.002 | 9.419 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | ASP | -1 | -0.760 | -0.859 | 12.661 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 120 | TYR | 0 | -0.011 | -0.036 | 11.130 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | ILE | 0 | -0.005 | 0.001 | 10.365 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | LEU | 0 | 0.012 | 0.047 | 13.664 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 123 | ALA | 0 | 0.013 | 0.002 | 16.057 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | ASN | 0 | -0.006 | 0.002 | 15.175 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | THR | 0 | -0.080 | -0.062 | 16.800 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | CYS | 0 | -0.017 | 0.031 | 19.273 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | THR | 0 | 0.050 | 0.020 | 22.135 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | GLU | -1 | -0.693 | -0.817 | 24.476 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | ARG | 1 | 0.901 | 0.950 | 25.422 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | LEU | 0 | 0.029 | 0.010 | 23.873 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LYS | 1 | 0.854 | 0.956 | 19.779 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | 0.006 | 0.011 | 21.847 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | PHE | 0 | 0.010 | 0.008 | 24.094 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | ALA | 0 | 0.050 | 0.023 | 19.415 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | ALA | 0 | -0.026 | -0.006 | 19.616 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | GLU | -1 | -0.752 | -0.886 | 20.683 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | THR | 0 | -0.006 | -0.005 | 21.749 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | LEU | 0 | -0.041 | 0.017 | 15.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | LYS | 1 | 0.931 | 0.975 | 19.172 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | ALA | 0 | -0.018 | -0.012 | 20.637 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | THR | 0 | 0.016 | 0.007 | 19.444 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | GLU | -1 | -0.725 | -0.791 | 15.523 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | GLU | -1 | -0.744 | -0.868 | 19.319 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | THR | 0 | -0.008 | -0.002 | 22.767 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | PHE | 0 | 0.023 | 0.007 | 16.943 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LYS | 1 | 0.800 | 0.920 | 20.775 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LEU | 0 | 0.018 | 0.008 | 22.527 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | SER | 0 | -0.062 | -0.036 | 22.199 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | TYR | 0 | -0.023 | -0.009 | 17.806 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | GLY | 0 | -0.044 | -0.018 | 24.615 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | ILE | 0 | -0.018 | -0.021 | 27.049 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | -0.019 | 0.000 | 27.864 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | THR | 0 | 0.003 | -0.008 | 29.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | VAL | 0 | -0.008 | 0.009 | 33.555 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | ARG | 1 | 0.881 | 0.940 | 34.982 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | GLU | -1 | -0.882 | -0.948 | 36.377 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | VAL | 0 | -0.019 | -0.020 | 36.081 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | LEU | 0 | 0.015 | 0.000 | 33.826 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | SER | 0 | 0.015 | 0.016 | 35.495 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ASP | -1 | -0.825 | -0.891 | 35.933 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ARG | 1 | 0.813 | 0.875 | 31.180 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | GLU | -1 | -0.914 | -0.965 | 30.485 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | LEU | 0 | -0.031 | -0.002 | 30.726 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | HIS | 0 | 0.020 | 0.021 | 31.435 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | LEU | 0 | -0.013 | -0.001 | 27.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | SER | 0 | -0.015 | -0.015 | 31.591 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | TRP | 0 | -0.029 | -0.035 | 25.005 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | GLU | -1 | -0.825 | -0.904 | 30.112 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | VAL | 0 | 0.005 | -0.001 | 30.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | GLY | 0 | 0.007 | 0.001 | 30.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | LYS | 1 | 0.843 | 0.940 | 27.166 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | PRO | 0 | 0.005 | 0.020 | 22.110 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ARG | 1 | 0.978 | 0.987 | 23.192 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | PRO | 0 | 0.014 | 0.027 | 20.025 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | PRO | 0 | -0.009 | -0.012 | 15.505 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LEU | 0 | -0.044 | 0.003 | 18.112 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ASN | 0 | 0.033 | -0.005 | 14.462 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | ARG | 1 | 0.839 | 0.897 | 17.102 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.009 | 0.009 | 11.977 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | TYR | 0 | 0.008 | 0.007 | 14.749 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | VAL | 0 | 0.036 | 0.036 | 19.287 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | PHE | 0 | -0.030 | -0.034 | 22.457 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | THR | 0 | 0.024 | 0.038 | 25.775 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | GLY | 0 | 0.037 | 0.016 | 29.297 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | TYR | 0 | -0.011 | -0.014 | 31.262 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | ARG | 1 | 0.893 | 0.943 | 35.608 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | VAL | 0 | 0.017 | -0.010 | 39.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | THR | 0 | -0.075 | -0.040 | 41.388 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LYS | 1 | 0.987 | 0.976 | 44.292 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASN | 0 | 0.021 | 0.004 | 46.617 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | SER | 0 | 0.024 | 0.020 | 41.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LYS | 1 | 0.944 | 0.996 | 36.553 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | VAL | 0 | 0.004 | 0.012 | 39.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | GLN | 0 | 0.012 | 0.003 | 32.314 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | ILE | 0 | 0.001 | 0.012 | 34.249 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | GLY | 0 | 0.032 | 0.025 | 32.669 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.898 | -0.956 | 26.641 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | TYR | 0 | -0.041 | -0.018 | 27.002 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | THR | 0 | -0.023 | 0.015 | 21.822 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | PHE | 0 | 0.026 | -0.011 | 22.693 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.766 | -0.827 | 20.166 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.972 | 0.989 | 22.078 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | GLY | 0 | 0.086 | 0.052 | 23.938 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | NME | 0 | -0.074 | -0.030 | 25.055 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | ACE | 0 | -0.014 | -0.018 | 29.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ALA | 0 | 0.016 | 0.000 | 29.286 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | VAL | 0 | -0.093 | -0.041 | 26.185 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | VAL | 0 | 0.071 | 0.038 | 25.942 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | TYR | 0 | -0.015 | -0.002 | 26.042 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | ARG | 1 | 0.852 | 0.913 | 22.249 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | GLY | 0 | 0.030 | 0.001 | 26.814 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | THR | 0 | -0.073 | -0.042 | 27.451 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | THR | 0 | 0.057 | 0.026 | 29.881 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | THR | 0 | -0.026 | -0.005 | 33.251 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | TYR | 0 | 0.083 | 0.013 | 35.974 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | LYS | 1 | 0.917 | 0.997 | 37.134 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | LEU | 0 | 0.001 | 0.000 | 33.226 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | ASN | 0 | -0.027 | -0.020 | 37.671 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | VAL | 0 | 0.054 | 0.009 | 38.523 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | GLY | 0 | -0.038 | -0.007 | 38.149 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | ASP | -1 | -0.810 | -0.898 | 35.549 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | TYR | 0 | -0.031 | -0.015 | 32.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | PHE | 0 | -0.041 | -0.022 | 28.315 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | VAL | 0 | 0.008 | -0.003 | 27.561 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | LEU | 0 | -0.003 | 0.018 | 21.027 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | THR | 0 | 0.005 | -0.020 | 24.927 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | SER | 0 | -0.087 | -0.054 | 25.041 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | HIS | 0 | 0.007 | -0.006 | 25.261 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | 0.007 | -0.007 | 26.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | VAL | 0 | 0.000 | 0.018 | 24.045 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | MET | 0 | 0.027 | 0.020 | 27.201 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | PRO | 0 | 0.015 | 0.005 | 27.993 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | LEU | 0 | -0.043 | 0.017 | 24.002 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | SER | 0 | -0.056 | -0.044 | 28.674 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ALA | 0 | 0.019 | 0.017 | 29.575 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | PRO | 0 | 0.050 | 0.048 | 27.381 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | THR | 0 | -0.050 | -0.047 | 21.730 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | LEU | 0 | -0.036 | -0.015 | 22.812 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | VAL | 0 | 0.032 | 0.022 | 26.302 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | PRO | 0 | 0.017 | 0.002 | 29.322 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | GLN | 0 | 0.032 | 0.002 | 28.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLU | -1 | -0.864 | -0.906 | 31.394 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | HIS | 0 | -0.014 | 0.001 | 31.048 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | TYR | 0 | -0.064 | -0.051 | 35.875 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | VAL | 0 | 0.011 | 0.003 | 39.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | ARG | 1 | 0.919 | 0.949 | 41.865 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | ILE | 0 | 0.005 | 0.012 | 39.178 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | THR | 0 | 0.021 | 0.027 | 39.621 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | GLY | 0 | -0.031 | -0.011 | 39.910 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | LEU | 0 | 0.028 | 0.023 | 36.791 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | TYR | 0 | -0.001 | -0.002 | 41.528 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | PRO | 0 | -0.003 | 0.001 | 41.701 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | THR | 0 | -0.006 | 0.000 | 42.174 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | LEU | 0 | -0.021 | -0.013 | 44.521 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASN | 0 | -0.045 | -0.015 | 46.417 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | ILE | 0 | -0.004 | 0.004 | 39.168 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | SER | 0 | 0.040 | 0.021 | 40.538 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | ASP | -1 | -0.875 | -0.953 | 40.110 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | GLU | -1 | -0.776 | -0.855 | 36.954 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | PHE | 0 | -0.045 | -0.016 | 33.930 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | SER | 0 | 0.004 | 0.021 | 36.169 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | SER | 0 | 0.047 | 0.026 | 33.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ASN | 0 | -0.007 | 0.015 | 30.979 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 266 | VAL | 0 | 0.076 | 0.048 | 33.568 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 267 | ALA | 0 | 0.052 | 0.033 | 34.797 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 268 | ASN | 0 | 0.019 | 0.005 | 29.866 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 269 | TYR | 0 | 0.025 | -0.007 | 31.886 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 270 | GLN | 0 | 0.012 | 0.030 | 34.613 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | LYS | 1 | 0.900 | 0.943 | 29.666 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 272 | VAL | 0 | -0.016 | 0.004 | 30.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.041 | 0.020 | 33.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | MET | 0 | -0.046 | -0.024 | 35.769 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | GLN | 0 | -0.031 | -0.024 | 29.360 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | LYS | 1 | 0.848 | 0.969 | 32.291 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | TYR | 0 | 0.006 | -0.006 | 25.819 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | SER | 0 | -0.011 | 0.002 | 27.659 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | THR | 0 | 0.018 | 0.001 | 22.309 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | LEU | 0 | 0.017 | 0.000 | 23.590 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | GLN | 0 | -0.006 | -0.021 | 16.721 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | GLY | 0 | 0.018 | -0.012 | 20.422 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | PRO | 0 | 0.009 | 0.030 | 18.411 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | -0.014 | 0.007 | 16.976 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | GLY | 0 | 0.053 | 0.031 | 19.778 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | THR | 0 | -0.031 | -0.027 | 22.348 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLY | 0 | 0.031 | 0.028 | 24.860 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | LYS | 1 | 0.873 | 0.950 | 19.892 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | SER | 0 | 0.084 | 0.032 | 25.246 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | HIS | 0 | -0.046 | -0.023 | 27.579 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | PHE | 0 | 0.038 | 0.007 | 27.932 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | ALA | 0 | 0.031 | 0.016 | 27.947 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ILE | 0 | -0.012 | 0.007 | 29.996 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | GLY | 0 | 0.085 | 0.027 | 33.081 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | LEU | 0 | -0.052 | -0.016 | 31.535 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ALA | 0 | -0.001 | -0.001 | 34.712 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | LEU | 0 | -0.010 | 0.007 | 37.136 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 298 | TYR | 0 | -0.005 | 0.004 | 37.618 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 299 | TYR | 0 | -0.002 | -0.026 | 36.192 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 300 | PRO | 0 | 0.055 | 0.054 | 40.336 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | SER | 0 | 0.005 | 0.013 | 42.420 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | ALA | 0 | -0.062 | -0.019 | 38.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | ARG | 1 | 0.852 | 0.914 | 38.361 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | ILE | 0 | -0.044 | -0.026 | 33.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | 0.009 | 0.013 | 31.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | TYR | 0 | -0.011 | -0.024 | 29.586 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | THR | 0 | -0.028 | -0.034 | 26.020 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ALA | 0 | 0.017 | 0.001 | 22.533 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 309 | CYS | 0 | -0.018 | 0.015 | 19.783 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 310 | SER | 0 | 0.021 | 0.014 | 20.375 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 311 | HIS | 0 | 0.133 | 0.055 | 22.381 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 312 | ALA | 0 | 0.013 | 0.030 | 22.386 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | ALA | 0 | 0.026 | 0.024 | 21.569 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 314 | VAL | 0 | 0.038 | 0.018 | 23.609 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 315 | ASP | -1 | -0.732 | -0.863 | 27.052 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | ALA | 0 | 0.015 | 0.021 | 25.641 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.041 | -0.014 | 26.234 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | CYS | 0 | -0.035 | -0.002 | 29.164 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | GLU | -1 | -0.801 | -0.885 | 30.468 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | LYS | 1 | 0.814 | 0.923 | 30.282 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ALA | 0 | 0.037 | 0.003 | 32.404 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | LEU | 0 | -0.045 | -0.007 | 34.825 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | LYS | 1 | 0.871 | 0.952 | 35.305 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | TYR | 0 | -0.102 | -0.087 | 34.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | LEU | 0 | 0.015 | 0.018 | 35.951 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | PRO | 0 | 0.014 | 0.007 | 39.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | ILE | 0 | 0.089 | 0.051 | 40.547 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ASP | -1 | -0.878 | -0.935 | 41.889 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | LYS | 1 | 0.882 | 0.926 | 41.992 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | CYS | 0 | -0.049 | -0.008 | 37.544 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | SER | 0 | -0.050 | -0.032 | 37.678 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | ARG | 1 | 0.807 | 0.883 | 28.980 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | ILE | 0 | -0.020 | -0.025 | 33.326 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | ILE | 0 | 0.018 | -0.001 | 32.728 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | PRO | 0 | -0.020 | 0.006 | 31.287 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | ALA | 0 | 0.021 | 0.006 | 34.499 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 337 | NME | 0 | 0.008 | 0.008 | 35.253 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | ACE | 0 | 0.009 | -0.006 | 32.305 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | VAL | 0 | -0.042 | -0.039 | 27.384 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | GLU | -1 | -0.967 | -0.958 | 30.408 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | CYS | 0 | -0.049 | -0.023 | 29.930 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | PHE | 0 | 0.007 | -0.007 | 31.216 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.896 | -0.906 | 33.211 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | LYS | 1 | 0.877 | 0.932 | 35.078 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | PHE | 0 | -0.038 | -0.015 | 34.721 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | LYS | 1 | 0.880 | 0.943 | 39.350 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | VAL | 0 | 0.054 | 0.028 | 37.578 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | ASN | 0 | -0.065 | -0.030 | 37.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | SER | 0 | 0.009 | -0.005 | 39.115 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | THR | 0 | 0.048 | -0.004 | 38.381 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LEU | 0 | -0.021 | -0.009 | 39.685 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | GLU | -1 | -0.803 | -0.857 | 40.044 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | GLN | 0 | -0.090 | -0.054 | 40.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | TYR | 0 | 0.000 | -0.029 | 36.309 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | VAL | 0 | 0.000 | 0.005 | 34.235 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | PHE | 0 | 0.032 | 0.019 | 31.044 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | CYS | 0 | -0.009 | -0.001 | 30.177 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | 0.010 | 0.028 | 25.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | VAL | 0 | 0.046 | 0.014 | 23.487 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | ASN | 0 | -0.034 | -0.009 | 25.544 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | ALA | 0 | 0.012 | 0.011 | 27.332 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LEU | 0 | -0.021 | -0.005 | 28.526 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | PRO | 0 | 0.007 | 0.001 | 31.761 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | GLU | -1 | -0.865 | -0.915 | 34.601 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | THR | 0 | -0.033 | -0.019 | 35.807 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | THR | 0 | -0.001 | 0.005 | 36.777 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | ALA | 0 | 0.023 | 0.013 | 35.296 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | ASP | -1 | -0.787 | -0.865 | 37.235 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | ILE | 0 | -0.016 | -0.027 | 32.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | VAL | 0 | 0.031 | 0.029 | 28.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | VAL | 0 | -0.019 | -0.003 | 27.176 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | PHE | 0 | 0.027 | 0.003 | 21.673 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 374 | ASP | -1 | -0.727 | -0.818 | 22.788 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | GLU | -1 | -0.772 | -0.837 | 17.346 | 0.566 | 0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 376 | ILE | 0 | 0.026 | 0.006 | 18.147 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 377 | SER | 0 | 0.004 | -0.003 | 13.035 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | MET | 0 | -0.024 | 0.018 | 13.568 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 379 | ALA | 0 | -0.008 | 0.008 | 15.247 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | THR | 0 | -0.022 | -0.009 | 15.514 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ASN | 0 | 0.022 | -0.032 | 17.392 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | TYR | 0 | 0.004 | -0.008 | 19.780 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | ASP | -1 | -0.759 | -0.834 | 19.527 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | LEU | 0 | -0.058 | -0.010 | 19.886 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | SER | 0 | 0.027 | 0.019 | 23.165 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | VAL | 0 | 0.011 | -0.005 | 25.368 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | VAL | 0 | -0.013 | -0.011 | 25.564 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | ASN | 0 | -0.047 | -0.011 | 27.013 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | ALA | 0 | -0.049 | -0.014 | 29.688 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | ARG | 1 | 0.780 | 0.894 | 31.006 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.032 | 0.007 | 30.462 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.984 | 1.018 | 32.977 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ALA | 0 | -0.013 | -0.020 | 33.351 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | LYS | 1 | 0.751 | 0.876 | 35.401 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | HIS | 1 | 0.826 | 0.905 | 33.157 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | TYR | 0 | 0.016 | 0.004 | 28.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | VAL | 0 | 0.001 | 0.003 | 26.809 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | TYR | 0 | 0.008 | 0.000 | 22.330 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | ILE | 0 | 0.004 | -0.001 | 22.757 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | GLY | 0 | 0.058 | 0.019 | 18.663 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | ASP | -1 | -0.691 | -0.817 | 16.019 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | PRO | 0 | 0.022 | 0.016 | 13.502 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | ALA | 0 | 0.007 | 0.019 | 11.632 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLN | 0 | -0.069 | -0.033 | 11.388 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LEU | 0 | 0.028 | 0.020 | 7.792 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | PRO | 0 | 0.003 | 0.018 | 8.023 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | ALA | 0 | 0.039 | 0.023 | 10.966 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | PRO | 0 | -0.025 | -0.021 | 10.262 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | ARG | 1 | 0.811 | 0.920 | 9.696 | -1.060 | -1.060 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | THR | 0 | -0.041 | -0.032 | 10.836 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | LEU | 0 | 0.023 | 0.016 | 13.202 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | -0.082 | -0.016 | 6.776 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | THR | 0 | -0.030 | -0.023 | 8.916 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | LYS | 1 | 0.845 | 0.923 | 8.416 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 415 | GLY | 0 | 0.043 | 0.018 | 6.508 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 416 | THR | 0 | 0.009 | 0.002 | 1.891 | -11.231 | -12.690 | 6.953 | -2.924 | -2.570 | -0.028 |
413 | B | 417 | LEU | 0 | 0.017 | 0.031 | 3.769 | 0.262 | 0.496 | 0.001 | -0.131 | -0.105 | -0.001 |
414 | B | 418 | GLU | -1 | -0.808 | -0.900 | 6.092 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | PRO | 0 | 0.020 | -0.003 | 7.777 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLU | -1 | -0.851 | -0.880 | 10.416 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | TYR | 0 | -0.017 | -0.032 | 10.145 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | PHE | 0 | -0.018 | 0.017 | 7.731 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | ASN | 0 | 0.065 | 0.028 | 12.444 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | SER | 0 | 0.064 | 0.015 | 16.260 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | VAL | 0 | 0.016 | 0.023 | 19.355 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | CYS | 0 | -0.066 | -0.041 | 14.434 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | ARG | 1 | 0.880 | 0.933 | 15.059 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | LEU | 0 | -0.004 | 0.019 | 17.051 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | MET | 0 | -0.058 | -0.025 | 17.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | LYS | 1 | 0.853 | 0.927 | 13.397 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | THR | 0 | -0.070 | -0.036 | 16.926 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | ILE | 0 | -0.017 | -0.008 | 19.448 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | GLY | 0 | 0.034 | 0.039 | 21.084 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | PRO | 0 | -0.064 | -0.037 | 20.626 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | ASP | -1 | -0.777 | -0.824 | 22.913 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 436 | MET | 0 | -0.050 | 0.002 | 25.429 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 437 | PHE | 0 | 0.016 | 0.013 | 20.051 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 438 | LEU | 0 | -0.053 | -0.011 | 23.986 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLY | 0 | 0.065 | 0.021 | 23.887 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | THR | 0 | 0.002 | -0.001 | 25.705 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | CYS | 0 | -0.036 | 0.001 | 22.331 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | ARG | 1 | 0.944 | 0.956 | 24.849 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | ARG | 1 | 0.770 | 0.887 | 20.296 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | CYS | 0 | -0.049 | -0.007 | 21.535 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | PRO | 0 | 0.061 | 0.049 | 23.429 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | ALA | 0 | 0.053 | 0.009 | 23.839 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | GLU | -1 | -0.706 | -0.834 | 23.100 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ILE | 0 | -0.020 | 0.004 | 18.520 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | VAL | 0 | -0.042 | -0.023 | 19.285 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | ASP | -1 | -0.793 | -0.899 | 20.538 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | THR | 0 | -0.035 | -0.023 | 15.978 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | VAL | 0 | 0.022 | 0.005 | 14.844 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | SER | 0 | -0.054 | -0.041 | 16.558 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | ALA | 0 | -0.010 | 0.000 | 18.436 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | LEU | 0 | -0.113 | -0.032 | 10.930 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | VAL | 0 | 0.014 | -0.006 | 11.185 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | TYR | 0 | -0.036 | -0.039 | 14.161 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ASP | -1 | -0.776 | -0.877 | 17.642 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | ASN | 0 | -0.014 | -0.010 | 19.689 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.905 | 0.964 | 19.952 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.070 | -0.018 | 19.772 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | LYS | 1 | 0.899 | 0.953 | 22.860 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ALA | 0 | 0.011 | 0.004 | 25.823 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | HIS | 0 | 0.017 | 0.017 | 26.827 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | LYS | 1 | 0.782 | 0.884 | 27.515 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | ASP | -1 | -0.763 | -0.847 | 29.186 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.857 | 0.926 | 26.435 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | SER | 0 | -0.041 | -0.025 | 26.699 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | ALA | 0 | -0.049 | -0.015 | 28.482 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLN | 0 | -0.004 | 0.012 | 27.683 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | CYS | 0 | -0.021 | 0.011 | 22.552 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | PHE | 0 | 0.033 | 0.014 | 23.052 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | LYS | 1 | 0.811 | 0.909 | 19.102 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | MET | 0 | -0.017 | -0.003 | 19.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | PHE | 0 | -0.014 | 0.002 | 16.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | TYR | 0 | 0.039 | 0.004 | 18.522 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | LYS | 1 | 0.852 | 0.917 | 15.131 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLY | 0 | 0.022 | 0.033 | 17.728 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | VAL | 0 | 0.004 | -0.007 | 20.085 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | ILE | 0 | 0.000 | 0.025 | 13.788 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | THR | 0 | -0.042 | -0.014 | 17.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | HIS | 0 | 0.057 | 0.023 | 13.681 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ASP | -1 | -0.836 | -0.891 | 17.768 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | VAL | 0 | -0.006 | -0.004 | 18.019 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | SER | 0 | 0.012 | 0.006 | 15.230 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | SER | 0 | -0.016 | -0.009 | 13.766 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | ALA | 0 | 0.045 | 0.032 | 13.048 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | ILE | 0 | -0.041 | -0.029 | 14.866 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASN | 0 | -0.006 | -0.034 | 16.057 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | ARG | 1 | 0.959 | 0.960 | 18.540 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | PRO | 0 | 0.010 | 0.010 | 21.305 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | GLN | 0 | 0.043 | 0.019 | 15.342 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | ILE | 0 | -0.020 | 0.005 | 20.410 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLY | 0 | -0.021 | -0.013 | 22.540 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | VAL | 0 | 0.052 | 0.027 | 22.901 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | VAL | 0 | -0.013 | -0.002 | 21.488 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.940 | 0.961 | 24.579 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | GLU | -1 | -0.813 | -0.896 | 27.827 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | PHE | 0 | -0.001 | 0.006 | 26.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | LEU | 0 | 0.026 | 0.006 | 26.663 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | THR | 0 | -0.101 | -0.039 | 29.772 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | ARG | 1 | 0.947 | 0.962 | 29.120 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | ASN | 0 | -0.058 | -0.015 | 30.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | PRO | 0 | 0.049 | 0.012 | 31.259 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ALA | 0 | 0.027 | 0.018 | 32.570 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | TRP | 0 | -0.010 | -0.012 | 23.893 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ARG | 1 | 0.909 | 0.954 | 27.879 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 508 | LYS | 1 | 0.880 | 0.961 | 29.123 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 509 | ALA | 0 | -0.012 | 0.006 | 24.225 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 510 | VAL | 0 | 0.003 | 0.010 | 20.833 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 511 | PHE | 0 | 0.000 | -0.009 | 18.089 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 512 | ILE | 0 | 0.008 | -0.015 | 14.569 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 513 | SER | 0 | 0.006 | -0.010 | 13.940 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 514 | PRO | 0 | -0.019 | -0.011 | 8.776 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 515 | TYR | 0 | -0.004 | 0.007 | 9.304 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 516 | ASN | 0 | 0.025 | -0.007 | 13.344 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 517 | SER | 0 | -0.029 | -0.031 | 16.520 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 518 | GLN | 0 | 0.061 | 0.037 | 15.891 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 519 | ASN | 0 | -0.016 | -0.010 | 16.979 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 520 | ALA | 0 | -0.005 | 0.008 | 19.229 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 521 | VAL | 0 | -0.033 | -0.026 | 21.413 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 522 | ALA | 0 | 0.025 | 0.007 | 20.839 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 523 | SER | 0 | -0.011 | 0.003 | 22.840 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 524 | LYS | 1 | 0.932 | 0.971 | 25.084 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 525 | ILE | 0 | -0.033 | -0.016 | 25.274 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 526 | LEU | 0 | -0.068 | -0.029 | 23.452 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 527 | GLY | 0 | 0.012 | 0.021 | 27.504 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 528 | LEU | 0 | -0.044 | -0.004 | 24.068 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 529 | PRO | 0 | 0.046 | 0.034 | 24.777 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 530 | THR | 0 | -0.023 | -0.010 | 20.197 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 531 | GLN | 0 | 0.010 | 0.031 | 17.996 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 532 | THR | 0 | -0.019 | -0.004 | 13.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 533 | VAL | 0 | 0.043 | 0.013 | 10.761 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 534 | ASP | -1 | -0.746 | -0.822 | 9.609 | 1.762 | 1.762 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 535 | SER | 0 | -0.052 | -0.034 | 12.668 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 536 | SER | 0 | -0.026 | -0.010 | 15.147 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 537 | GLN | 0 | 0.026 | -0.003 | 13.434 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 538 | GLY | 0 | -0.009 | -0.005 | 16.349 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 539 | SER | 0 | -0.033 | -0.004 | 19.643 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 540 | GLU | -1 | -0.827 | -0.890 | 20.692 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 541 | TYR | 0 | 0.075 | 0.022 | 20.085 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 542 | ASP | -1 | -0.767 | -0.833 | 24.291 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 543 | TYR | 0 | -0.009 | -0.021 | 24.928 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 544 | VAL | 0 | 0.008 | 0.013 | 18.353 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 545 | ILE | 0 | 0.027 | 0.009 | 20.682 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 546 | PHE | 0 | 0.026 | 0.001 | 10.888 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 547 | THR | 0 | 0.022 | 0.031 | 15.909 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 548 | GLN | 0 | 0.105 | 0.035 | 8.827 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 549 | THR | 0 | -0.055 | -0.028 | 11.441 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 550 | THR | 0 | 0.043 | 0.020 | 9.136 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 551 | GLU | -1 | -0.716 | -0.788 | 9.133 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 552 | THR | 0 | 0.023 | 0.019 | 6.642 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 553 | ALA | 0 | 0.109 | 0.044 | 2.532 | -0.059 | 0.607 | 0.342 | -0.496 | -0.512 | 0.004 |
550 | B | 554 | HIS | 0 | -0.021 | -0.009 | 2.307 | -4.156 | -2.560 | 1.677 | -1.890 | -1.384 | -0.025 |
551 | B | 555 | SER | 0 | -0.012 | -0.032 | 4.119 | 0.573 | 0.609 | -0.001 | 0.000 | -0.035 | 0.000 |
552 | B | 556 | CYS | 0 | -0.037 | 0.016 | 5.026 | 0.663 | 0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 557 | ASN | 0 | -0.002 | 0.013 | 1.901 | -9.102 | -12.302 | 8.313 | -2.763 | -2.350 | 0.035 |
554 | B | 558 | VAL | 0 | 0.079 | 0.022 | 3.965 | 0.024 | 0.117 | 0.003 | -0.045 | -0.051 | 0.000 |
555 | B | 559 | ASN | 0 | 0.011 | 0.008 | 6.724 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 560 | ARG | 1 | 0.782 | 0.870 | 4.425 | -4.500 | -4.447 | -0.001 | -0.014 | -0.038 | 0.000 |
557 | B | 561 | PHE | 0 | 0.077 | 0.023 | 7.984 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 562 | ASN | 0 | 0.004 | -0.019 | 9.995 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 563 | VAL | 0 | -0.013 | 0.026 | 11.582 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 564 | ALA | 0 | -0.034 | -0.007 | 11.954 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 565 | ILE | 0 | 0.017 | -0.009 | 13.769 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 566 | THR | 0 | -0.005 | -0.021 | 15.699 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 567 | ARG | 1 | 0.818 | 0.905 | 16.643 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 568 | ALA | 0 | 0.015 | 0.016 | 19.472 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 569 | LYS | 1 | 0.816 | 0.900 | 22.085 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 570 | VAL | 0 | -0.037 | -0.016 | 25.589 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 571 | GLY | 0 | 0.054 | 0.026 | 25.237 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 572 | ILE | 0 | -0.032 | -0.029 | 17.530 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 573 | LEU | 0 | 0.007 | 0.023 | 21.439 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 574 | CYS | 0 | -0.046 | -0.010 | 16.544 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 575 | ILE | 0 | 0.002 | 0.002 | 17.732 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 576 | MET | 0 | -0.044 | -0.010 | 11.944 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 577 | SER | 0 | 0.032 | -0.015 | 12.273 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 578 | ASP | -1 | -0.744 | -0.839 | 10.159 | -0.797 | -0.797 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 579 | ARG | 1 | 0.830 | 0.899 | 12.384 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 580 | ASP | -1 | -0.734 | -0.805 | 10.838 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 581 | LEU | 0 | 0.008 | -0.012 | 8.137 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 582 | TYR | 0 | -0.031 | -0.027 | 12.541 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 583 | ASP | -1 | -0.783 | -0.862 | 15.860 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 584 | LYS | 1 | 0.816 | 0.893 | 11.798 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 585 | LEU | 0 | -0.057 | -0.006 | 15.609 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 586 | GLN | 0 | -0.009 | 0.011 | 17.864 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 587 | PHE | 0 | -0.008 | -0.026 | 18.434 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 588 | THR | 0 | 0.040 | 0.023 | 22.605 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 589 | SER | 0 | 0.013 | 0.008 | 23.631 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 590 | LEU | 0 | -0.054 | -0.029 | 24.365 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 591 | GLU | -1 | -0.825 | -0.901 | 25.217 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 592 | ILE | 0 | -0.108 | -0.069 | 23.801 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 593 | PRO | -1 | -0.918 | -0.953 | 26.993 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 804 | HOH | 0 | -0.003 | -0.014 | 28.300 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 806 | HOH | 0 | 0.002 | -0.004 | 4.744 | 1.321 | 1.339 | 0.000 | -0.001 | -0.018 | 0.000 |
592 | B | 808 | HOH | 0 | -0.023 | -0.043 | 10.663 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 810 | HOH | 0 | 0.014 | 0.005 | 21.867 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 811 | HOH | 0 | -0.031 | -0.027 | 21.402 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 812 | HOH | 0 | -0.037 | -0.047 | 20.387 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 813 | HOH | 0 | 0.011 | -0.005 | 28.111 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 815 | HOH | 0 | -0.040 | -0.035 | 27.419 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 818 | HOH | 0 | 0.015 | -0.001 | 28.396 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 820 | HOH | 0 | 0.031 | 0.027 | 34.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 822 | HOH | 0 | -0.012 | -0.015 | 23.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 823 | HOH | 0 | -0.027 | -0.022 | 17.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 824 | HOH | 0 | -0.013 | -0.026 | 17.984 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 826 | HOH | 0 | 0.002 | -0.005 | 21.080 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 827 | HOH | 0 | 0.017 | 0.001 | 15.008 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 828 | HOH | 0 | -0.036 | -0.050 | 8.746 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 829 | HOH | 0 | -0.034 | -0.039 | 20.902 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 830 | HOH | 0 | -0.008 | -0.011 | 30.589 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 831 | HOH | 0 | -0.058 | -0.045 | 14.360 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 832 | HOH | 0 | -0.025 | -0.031 | 9.337 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 833 | HOH | 0 | 0.008 | -0.011 | 20.589 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 834 | HOH | 0 | -0.013 | -0.020 | 44.044 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 836 | HOH | 0 | -0.008 | -0.010 | 18.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 837 | HOH | 0 | -0.047 | -0.034 | 24.090 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 838 | HOH | 0 | -0.047 | -0.036 | 20.493 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 839 | HOH | 0 | -0.022 | -0.026 | 26.337 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 840 | HOH | 0 | -0.009 | -0.003 | 28.465 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 841 | HOH | 0 | -0.021 | -0.014 | 11.371 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 843 | HOH | 0 | -0.017 | -0.032 | 13.603 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 844 | HOH | 0 | -0.020 | -0.023 | 37.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 845 | HOH | 0 | -0.035 | -0.038 | 23.312 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 847 | HOH | 0 | -0.019 | -0.035 | 17.980 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 849 | HOH | 0 | 0.001 | 0.001 | 26.049 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 850 | HOH | 0 | 0.017 | -0.006 | 29.282 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 851 | HOH | 0 | -0.008 | -0.020 | 11.161 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 854 | HOH | 0 | -0.019 | -0.015 | 14.887 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 855 | HOH | 0 | -0.024 | -0.025 | 24.663 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 856 | HOH | 0 | -0.055 | -0.046 | 29.145 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 858 | HOH | 0 | -0.013 | -0.019 | 27.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 859 | HOH | 0 | -0.004 | -0.026 | 13.187 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 860 | HOH | 0 | -0.018 | -0.029 | 24.847 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 861 | HOH | 0 | -0.026 | -0.020 | 36.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 863 | HOH | 0 | -0.030 | -0.022 | 19.163 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 864 | HOH | 0 | -0.052 | -0.036 | 6.857 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 865 | HOH | 0 | 0.001 | -0.011 | 7.414 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 866 | HOH | 0 | -0.019 | -0.014 | 24.877 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 867 | HOH | 0 | -0.046 | -0.037 | 29.606 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 868 | HOH | 0 | -0.001 | -0.025 | 27.444 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 873 | HOH | 0 | -0.033 | -0.034 | 33.486 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 875 | HOH | 0 | -0.069 | -0.057 | 34.605 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 876 | HOH | 0 | -0.005 | -0.018 | 15.196 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 877 | HOH | 0 | -0.021 | -0.014 | 31.499 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 879 | HOH | 0 | -0.014 | -0.009 | 26.053 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 880 | HOH | 0 | -0.006 | -0.018 | 32.707 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 881 | HOH | 0 | -0.012 | -0.016 | 15.024 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 882 | HOH | 0 | -0.052 | -0.042 | 6.842 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 883 | HOH | 0 | -0.019 | -0.024 | 39.576 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 884 | HOH | 0 | -0.055 | -0.044 | 9.532 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 886 | HOH | 0 | -0.020 | -0.030 | 44.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 887 | HOH | 0 | -0.043 | -0.024 | 15.212 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 888 | HOH | 0 | -0.020 | -0.031 | 22.333 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 889 | HOH | 0 | 0.020 | -0.002 | 41.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 892 | HOH | 0 | -0.010 | -0.016 | 18.093 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 893 | HOH | 0 | -0.038 | -0.028 | 18.521 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 894 | HOH | 0 | -0.006 | -0.020 | 24.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 896 | HOH | 0 | -0.032 | -0.036 | 15.337 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 897 | HOH | 0 | 0.017 | 0.009 | 19.996 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 898 | HOH | 0 | -0.032 | -0.029 | 28.924 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 901 | HOH | 0 | 0.011 | 0.000 | 27.376 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 902 | HOH | 0 | 0.021 | 0.001 | 19.418 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 906 | HOH | 0 | 0.019 | 0.009 | 5.071 | 1.088 | 1.099 | 0.000 | 0.000 | -0.011 | 0.000 |
661 | B | 907 | HOH | 0 | 0.006 | -0.013 | 15.982 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 909 | HOH | 0 | 0.008 | -0.003 | 34.233 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 911 | HOH | 0 | -0.009 | -0.012 | 25.520 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 912 | HOH | 0 | 0.008 | -0.011 | 16.922 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 913 | HOH | 0 | -0.014 | -0.026 | 20.307 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 914 | HOH | 0 | -0.015 | -0.025 | 25.464 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 916 | HOH | 0 | -0.028 | -0.033 | 5.352 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 917 | HOH | 0 | -0.004 | -0.012 | 42.155 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 918 | HOH | 0 | -0.014 | -0.020 | 36.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 919 | HOH | 0 | 0.009 | 0.001 | 21.613 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 920 | HOH | 0 | -0.045 | -0.034 | 42.279 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 921 | HOH | 0 | -0.027 | -0.029 | 30.219 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 923 | HOH | 0 | 0.011 | 0.004 | 27.903 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 924 | HOH | 0 | -0.026 | -0.028 | 13.743 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 925 | HOH | 0 | -0.002 | -0.013 | 23.053 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 927 | HOH | 0 | -0.001 | -0.003 | 16.849 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 928 | HOH | 0 | 0.004 | -0.018 | 17.305 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 930 | HOH | 0 | -0.005 | -0.016 | 15.900 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 931 | HOH | 0 | 0.004 | -0.003 | 33.301 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 932 | HOH | 0 | 0.006 | 0.001 | 9.817 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 933 | HOH | 0 | 0.024 | 0.001 | 28.806 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 935 | HOH | 0 | 0.018 | -0.004 | 11.860 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 937 | HOH | 0 | -0.035 | -0.048 | 24.169 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 938 | HOH | 0 | -0.049 | -0.049 | 17.224 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 940 | HOH | 0 | -0.010 | -0.010 | 4.220 | -0.206 | -0.157 | 0.000 | -0.024 | -0.025 | 0.000 |
686 | B | 943 | HOH | 0 | -0.020 | -0.019 | 28.884 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 944 | HOH | 0 | -0.032 | -0.036 | 19.766 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 946 | HOH | 0 | -0.008 | -0.014 | 23.463 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 947 | HOH | 0 | -0.023 | -0.011 | 28.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 948 | HOH | 0 | -0.031 | -0.029 | 54.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 949 | HOH | 0 | -0.039 | -0.044 | 31.768 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 950 | HOH | 0 | 0.021 | 0.006 | 23.148 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 951 | HOH | 0 | -0.009 | -0.007 | 44.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 952 | HOH | 0 | -0.013 | -0.016 | 14.390 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 955 | HOH | 0 | -0.011 | -0.024 | 14.387 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 956 | HOH | 0 | -0.017 | -0.028 | 26.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 958 | HOH | 0 | 0.036 | 0.017 | 5.591 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 959 | HOH | 0 | -0.015 | -0.014 | 25.087 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 960 | HOH | 0 | -0.041 | -0.025 | 21.551 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 961 | HOH | 0 | -0.021 | -0.024 | 28.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 964 | HOH | 0 | 0.025 | 0.015 | 20.698 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 965 | HOH | 0 | 0.003 | -0.006 | 26.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 968 | HOH | 0 | -0.024 | -0.025 | 24.880 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 972 | HOH | 0 | -0.001 | -0.008 | 13.158 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 976 | HOH | 0 | -0.017 | -0.028 | 29.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 977 | HOH | 0 | -0.027 | -0.026 | 40.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 978 | HOH | 0 | 0.011 | 0.003 | 25.827 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 979 | HOH | 0 | -0.009 | -0.011 | 43.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 982 | HOH | 0 | -0.020 | -0.027 | 27.161 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | B | 984 | HOH | 0 | -0.008 | -0.015 | 1.927 | -7.924 | -10.298 | 5.569 | -1.812 | -1.383 | 0.025 |
712 | B | 985 | HOH | 0 | -0.004 | -0.018 | 28.085 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | B | 986 | HOH | 0 | 0.029 | 0.016 | 32.692 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | B | 989 | HOH | 0 | -0.037 | -0.024 | 35.881 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | B | 990 | HOH | 0 | 0.028 | 0.014 | 21.850 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | B | 992 | HOH | 0 | -0.028 | -0.016 | 36.705 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | B | 1004 | HOH | 0 | 0.009 | -0.007 | 16.891 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | B | 1005 | HOH | 0 | -0.016 | -0.039 | 34.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | B | 1009 | HOH | 0 | 0.053 | 0.033 | 46.994 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | B | 1012 | HOH | 0 | -0.004 | -0.014 | 22.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | B | 1015 | HOH | 0 | -0.001 | 0.001 | 11.887 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | B | 1020 | HOH | 0 | 0.013 | 0.003 | 15.957 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | B | 1022 | HOH | 0 | -0.012 | -0.018 | 27.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | B | 1023 | HOH | 0 | 0.000 | -0.002 | 35.289 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | B | 1024 | HOH | 0 | 0.015 | 0.006 | 17.084 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | B | 1025 | HOH | 0 | -0.051 | -0.037 | 18.160 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | B | 1031 | HOH | 0 | 0.011 | 0.001 | 6.138 | -0.469 | -0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | B | 1036 | HOH | 0 | -0.001 | -0.004 | 21.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | B | 1037 | HOH | 0 | -0.001 | -0.014 | 18.010 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | B | 1041 | HOH | 0 | 0.039 | 0.028 | 23.287 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | B | 1043 | HOH | 0 | -0.011 | -0.013 | 17.640 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | B | 1044 | HOH | 0 | 0.024 | 0.020 | 19.486 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | B | 1046 | HOH | 0 | -0.037 | -0.023 | 6.142 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | B | 701 | VVM | -1 | -0.921 | -0.958 | 28.390 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |