![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: XRY48
Calculation Name: 2QXF-A-Xray32
Preferred Name:
Target Type:
Ligand Name: thymidine-5'-phosphate
ligand 3-letter code: TMP
PDB ID: 2QXF
Chain ID: A
UniProt ID: P04995
Base Structure: X-ray
Registration Date: 2018-09-07
Reference:
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | Missing residues were capped by ACE, NME. Missing atoms were corrected by Structure prepareation by MOE. |
Water | Apo structure with with a 3 angstrom solvent shell. |
Procedure | Auto-FMO protocol ver. 1.20180227 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 787 |
LigandCharge | TMP=-2,MG2=2,NA+=1 |
Software | MIZUHO/ABINIT-MP 3.0 |
Total energy (hartree)
FMO2-HF: Electronic energy | -10409393.46991 |
---|---|
FMO2-HF: Nuclear repulsion | 10205039.93585 |
FMO2-HF: Total energy | -204353.53406 |
FMO2-MP2: Total energy | -204941.021182 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F002184/ligand_interaction/ligand_F002184.png)
Ligand Interaction
![ligand interaction](./Kdata/F002184/ligand_interaction/ligand_interaction_F002184.png)
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. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:6:ACE)
Summations of interaction energy for
fragment #1(A:6:ACE)
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. |
1.989 | -0.208 | 13.209 | -6.377 | -4.635 | -0.028 |
Interaction energy analysis for fragmet #1(A:6:ACE)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 8 | GLN | 0 | 0.018 | 0.018 | 3.752 | 0.446 | 1.313 | -0.014 | -0.327 | -0.526 | -0.001 |
4 | A | 9 | SER | 0 | 0.006 | 0.006 | 4.787 | 0.066 | 0.125 | -0.001 | -0.005 | -0.053 | 0.000 |
5 | A | 10 | THR | 0 | -0.030 | -0.005 | 5.448 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 11 | PHE | 0 | -0.024 | -0.002 | 7.952 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 12 | LEU | 0 | -0.011 | 0.001 | 9.590 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 13 | PHE | 0 | 0.011 | 0.009 | 11.387 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 14 | HIS | 0 | 0.019 | 0.013 | 15.169 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 15 | ASP | -1 | -0.384 | -0.754 | 17.043 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 16 | TYR | 0 | 0.039 | 0.017 | 18.595 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 17 | GLU | -1 | -0.145 | -0.633 | 22.824 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 18 | THR | 0 | 0.007 | -0.011 | 25.966 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 19 | PHE | 0 | 0.020 | 0.010 | 28.309 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 20 | GLY | 0 | 0.074 | 0.036 | 30.968 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 21 | THR | 0 | 0.004 | 0.034 | 30.550 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 22 | HIS | 0 | 0.075 | 0.046 | 30.724 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 23 | PRO | 0 | 0.024 | 0.011 | 26.187 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 24 | ALA | 0 | -0.045 | -0.006 | 26.893 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 25 | LEU | 0 | 0.015 | -0.001 | 29.098 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 26 | ASP | -1 | -0.760 | -0.827 | 31.005 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 27 | ARG | 1 | 0.822 | 0.918 | 28.624 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 28 | PRO | 0 | 0.023 | 0.011 | 24.335 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 29 | ALA | 0 | 0.028 | 0.021 | 26.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 30 | GLN | 0 | 0.021 | -0.010 | 23.514 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 31 | PHE | 0 | -0.005 | 0.013 | 14.775 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 32 | ALA | 0 | 0.022 | 0.008 | 19.509 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 33 | ALA | 0 | 0.012 | -0.009 | 14.267 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 34 | ILE | 0 | -0.030 | -0.001 | 14.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 35 | ARG | 1 | 0.860 | 0.916 | 6.283 | -1.207 | -1.207 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 36 | THR | 0 | 0.006 | -0.006 | 11.220 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 37 | ASP | -1 | -0.694 | -0.832 | 9.839 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 38 | SER | 0 | -0.039 | -0.031 | 10.921 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 39 | GLU | -1 | -0.828 | -0.907 | 12.384 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 40 | PHE | 0 | -0.022 | -0.002 | 14.430 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 41 | ASN | 0 | 0.005 | -0.001 | 14.705 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 42 | VAL | 0 | -0.020 | -0.015 | 13.663 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 43 | ILE | 0 | -0.015 | -0.005 | 7.930 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 44 | GLY | 0 | 0.004 | 0.023 | 11.682 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 45 | GLU | -1 | -0.816 | -0.902 | 12.143 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 46 | PRO | 0 | -0.010 | -0.003 | 14.738 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 47 | GLU | -1 | -0.857 | -0.907 | 13.421 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 48 | VAL | 0 | -0.037 | -0.038 | 16.919 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 49 | PHE | 0 | -0.006 | 0.002 | 16.676 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 50 | TYR | 0 | 0.016 | -0.014 | 22.143 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 51 | CYS | 0 | -0.036 | -0.002 | 24.392 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 52 | LYS | 1 | 0.874 | 0.942 | 25.857 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 53 | PRO | 0 | 0.015 | 0.036 | 29.088 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 54 | ALA | 0 | 0.023 | 0.005 | 31.258 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 55 | ASP | -1 | -0.740 | -0.865 | 33.126 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 56 | ASP | -1 | -0.716 | -0.843 | 34.834 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 57 | TYR | 0 | -0.008 | -0.011 | 33.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 58 | LEU | 0 | 0.043 | 0.040 | 36.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 59 | PRO | 0 | -0.011 | 0.013 | 34.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 60 | GLN | 0 | 0.086 | 0.050 | 35.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 61 | PRO | 0 | 0.011 | 0.010 | 36.832 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 62 | GLY | 0 | 0.073 | 0.031 | 38.560 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 63 | ALA | 0 | 0.023 | 0.021 | 32.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 64 | VAL | 0 | -0.008 | -0.001 | 34.068 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 65 | LEU | 0 | -0.005 | 0.002 | 35.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 66 | ILE | 0 | -0.017 | 0.023 | 32.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 67 | THR | 0 | -0.055 | 0.005 | 30.300 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 68 | GLY | 0 | 0.061 | 0.042 | 32.141 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 69 | ILE | 0 | -0.056 | -0.020 | 28.242 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 70 | THR | 0 | 0.047 | 0.006 | 32.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 71 | PRO | 0 | 0.029 | 0.013 | 33.423 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 72 | GLN | 0 | -0.046 | -0.042 | 34.001 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 73 | GLU | -1 | -0.798 | -0.869 | 31.211 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 74 | ALA | 0 | 0.034 | 0.013 | 29.145 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 75 | ARG | 1 | 0.785 | 0.848 | 29.658 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 76 | ALA | 0 | -0.047 | -0.018 | 31.666 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 77 | LYS | 1 | 0.829 | 0.897 | 28.197 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 78 | GLY | 0 | 0.003 | 0.029 | 26.262 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 79 | GLU | -1 | -0.839 | -0.869 | 21.876 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 80 | ASN | 0 | 0.003 | 0.012 | 25.281 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 81 | GLU | -1 | -0.664 | -0.827 | 23.946 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 82 | ALA | 0 | 0.009 | 0.015 | 22.642 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 83 | ALA | 0 | -0.005 | 0.003 | 20.870 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 84 | PHE | 0 | 0.029 | 0.016 | 19.647 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 85 | ALA | 0 | 0.013 | -0.006 | 18.613 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 86 | ALA | 0 | -0.009 | 0.012 | 16.618 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 87 | ARG | 1 | 0.847 | 0.924 | 14.858 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 88 | ILE | 0 | 0.002 | 0.010 | 13.811 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 89 | HIS | 0 | -0.002 | 0.012 | 12.721 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 90 | SER | 0 | 0.013 | 0.027 | 10.514 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 91 | LEU | 0 | -0.019 | 0.011 | 8.901 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 92 | PHE | 0 | 0.005 | -0.024 | 8.255 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 93 | THR | 0 | 0.013 | 0.005 | 7.959 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 94 | VAL | 0 | -0.004 | 0.024 | 2.960 | 0.119 | 0.300 | 0.303 | -0.170 | -0.313 | -0.001 |
90 | A | 95 | PRO | 0 | -0.009 | 0.033 | 2.046 | 2.263 | -2.308 | 10.541 | -4.059 | -1.911 | -0.005 |
91 | A | 96 | LYS | 1 | 0.908 | 0.971 | 2.373 | -0.725 | 0.211 | 2.358 | -1.620 | -1.674 | -0.021 |
92 | A | 97 | THR | 0 | 0.018 | 0.010 | 4.973 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 98 | CYS | 0 | -0.078 | -0.019 | 6.719 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 99 | ILE | 0 | 0.009 | 0.019 | 9.602 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 100 | LEU | 0 | -0.027 | -0.025 | 12.301 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 101 | GLY | 0 | 0.039 | 0.018 | 15.723 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 102 | TYR | 0 | -0.041 | -0.039 | 18.956 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 103 | ASN | 0 | 0.027 | 0.012 | 22.643 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 104 | ASN | 0 | 0.006 | 0.004 | 18.009 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 105 | VAL | 0 | 0.017 | 0.018 | 20.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 106 | ARG | 1 | 0.844 | 0.931 | 22.024 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 107 | PHE | 0 | 0.043 | 0.049 | 24.405 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 108 | ASP | -1 | -0.520 | -0.735 | 20.356 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 109 | ASP | -1 | -0.735 | -0.875 | 18.032 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 110 | GLU | -1 | -0.786 | -0.862 | 20.090 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 111 | VAL | 0 | 0.025 | 0.028 | 22.463 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 112 | THR | 0 | -0.007 | -0.007 | 16.409 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 113 | ARG | 0 | 0.019 | 0.018 | 19.766 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 114 | ASN | 0 | 0.013 | -0.012 | 21.045 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 115 | ILE | 0 | 0.026 | 0.030 | 20.681 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 116 | PHE | 0 | -0.015 | -0.016 | 14.886 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 117 | TYR | 0 | -0.066 | -0.035 | 20.448 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 118 | ARG | 1 | 0.776 | 0.873 | 23.639 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 119 | ASN | 0 | -0.054 | -0.040 | 22.088 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 120 | PHE | 0 | 0.032 | 0.033 | 22.198 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 121 | TYR | 0 | 0.015 | 0.037 | 15.981 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 122 | ASP | -1 | -0.824 | -0.920 | 16.728 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 123 | PRO | 0 | 0.020 | 0.007 | 17.496 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 124 | TYR | 0 | -0.061 | -0.053 | 17.831 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 125 | ALA | 0 | -0.039 | -0.013 | 13.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 126 | TRP | 0 | 0.003 | -0.021 | 11.431 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 127 | SER | 0 | -0.037 | -0.007 | 10.748 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 128 | TRP | 0 | -0.050 | -0.039 | 12.246 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 129 | GLN | 0 | 0.002 | 0.014 | 10.565 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 130 | HIS | 0 | 0.035 | 0.027 | 5.846 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 131 | ASP | -1 | -0.852 | -0.927 | 6.123 | -0.943 | -0.943 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 132 | ASN | 0 | 0.033 | 0.032 | 6.374 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 133 | SER | 0 | -0.026 | -0.024 | 8.882 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 134 | ARG | 1 | 0.906 | 0.978 | 11.921 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 135 | TRP | 0 | 0.037 | -0.034 | 14.657 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 136 | ASP | -1 | -0.704 | -0.834 | 17.190 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 137 | LEU | 0 | 0.054 | 0.019 | 19.007 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 138 | LEU | 0 | -0.025 | 0.012 | 22.176 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 139 | ASP | -1 | -0.762 | -0.890 | 24.713 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 140 | VAL | 0 | -0.011 | 0.010 | 21.678 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 141 | MET | 0 | 0.009 | 0.011 | 25.055 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 142 | ARG | 1 | 0.883 | 0.948 | 27.837 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 143 | ALA | 0 | 0.033 | 0.004 | 27.631 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 144 | CYS | 0 | -0.038 | -0.005 | 27.540 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 145 | TYR | 0 | 0.024 | 0.028 | 30.410 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 146 | ALA | 0 | 0.004 | 0.004 | 33.028 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 147 | LEU | 0 | -0.059 | -0.029 | 30.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 148 | ARG | 1 | 0.807 | 0.897 | 30.963 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 149 | PRO | 0 | 0.085 | 0.068 | 32.630 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 150 | GLU | -1 | -0.889 | -0.949 | 34.856 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 151 | GLY | 0 | 0.052 | 0.018 | 33.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 152 | ILE | 0 | -0.062 | -0.014 | 29.254 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 153 | ASN | 0 | -0.032 | -0.012 | 33.606 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 154 | TRP | 0 | 0.002 | -0.019 | 30.368 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 155 | PRO | 0 | -0.028 | 0.011 | 34.852 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 156 | GLU | -1 | -0.807 | -0.908 | 37.657 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 157 | ASN | 0 | -0.025 | -0.031 | 38.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 158 | ASP | -1 | -0.888 | -0.955 | 40.453 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 159 | ASP | -1 | -0.857 | -0.910 | 42.880 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 160 | GLY | 0 | -0.015 | 0.017 | 43.683 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 161 | LEU | 0 | -0.034 | -0.018 | 40.050 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 162 | PRO | 0 | -0.018 | 0.018 | 36.400 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 163 | SER | 0 | -0.005 | -0.048 | 35.380 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 164 | PHE | 0 | -0.017 | -0.024 | 30.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 165 | ARG | 1 | 0.834 | 0.908 | 30.026 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 166 | LEU | 0 | -0.007 | -0.002 | 25.021 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 167 | GLU | -1 | -0.774 | -0.891 | 28.918 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 168 | HIS | 0 | 0.068 | 0.083 | 31.556 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 169 | LEU | 0 | 0.042 | 0.019 | 29.319 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 170 | THR | 0 | -0.009 | -0.014 | 27.922 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 171 | LYS | 1 | 1.015 | 1.025 | 30.668 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 172 | ALA | 0 | -0.011 | -0.007 | 34.347 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 173 | ASN | 0 | -0.051 | -0.033 | 31.426 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 174 | GLY | 0 | 0.016 | 0.031 | 32.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 175 | ILE | 0 | -0.018 | 0.002 | 27.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 176 | GLU | -1 | -0.894 | -0.935 | 29.117 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 177 | HIS | 0 | -0.012 | -0.006 | 27.632 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 178 | SER | 0 | 0.028 | 0.020 | 29.067 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 179 | ASN | 0 | -0.110 | -0.071 | 24.660 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 180 | ALA | 0 | 0.010 | 0.013 | 28.246 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 181 | HIS | 0 | 0.000 | -0.023 | 29.245 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 182 | ASP | -1 | -0.756 | -0.859 | 25.559 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 183 | ALA | 0 | 0.057 | 0.021 | 24.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 184 | MET | 0 | 0.082 | 0.051 | 18.197 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 185 | ALA | 0 | 0.006 | 0.025 | 22.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 186 | ASP | -1 | -0.210 | -0.705 | 24.038 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 187 | VAL | 0 | 0.018 | 0.041 | 17.865 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 188 | TYR | 0 | 0.001 | -0.010 | 18.994 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 189 | ALA | 0 | 0.073 | 0.047 | 21.861 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 190 | THR | 0 | -0.052 | -0.038 | 19.843 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 191 | ILE | 0 | -0.003 | 0.003 | 17.034 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 192 | ALA | 0 | 0.006 | 0.015 | 20.033 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 193 | MET | 0 | -0.019 | 0.000 | 23.317 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 194 | ALA | 0 | 0.026 | 0.009 | 19.303 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 195 | LYS | 1 | 0.853 | 0.909 | 19.860 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 196 | LEU | 0 | -0.016 | 0.012 | 22.589 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 197 | VAL | 0 | 0.030 | -0.003 | 24.003 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 198 | LYS | 1 | 0.877 | 0.957 | 18.281 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 199 | THR | 0 | -0.029 | -0.009 | 23.552 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 200 | ARG | 1 | 0.808 | 0.877 | 26.473 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 201 | GLN | 0 | -0.016 | 0.013 | 27.580 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 202 | PRO | 0 | 0.070 | 0.058 | 25.249 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 203 | ARG | 1 | 0.933 | 0.963 | 24.653 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 204 | LEU | 0 | 0.044 | 0.015 | 25.665 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 205 | PHE | 0 | 0.034 | 0.023 | 18.765 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 206 | ASP | -1 | -0.791 | -0.876 | 20.814 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 207 | TYR | 0 | -0.068 | -0.042 | 21.110 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 208 | LEU | 0 | 0.024 | 0.000 | 22.565 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 209 | PHE | 0 | 0.065 | 0.045 | 12.994 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 210 | THR | 0 | -0.068 | -0.028 | 17.824 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 211 | HIS | 0 | -0.031 | -0.026 | 19.038 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 212 | ARG | 1 | 0.867 | 0.939 | 12.040 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 213 | ASN | 0 | 0.015 | 0.019 | 15.807 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 214 | LYS | 1 | 1.022 | 0.987 | 18.299 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 215 | HIS | 0 | 0.034 | 0.013 | 18.804 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 216 | LYS | 1 | 0.923 | 0.976 | 20.458 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 217 | LEU | 0 | 0.001 | 0.013 | 22.340 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 218 | MET | 0 | 0.004 | -0.009 | 23.518 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 219 | ALA | 0 | -0.015 | 0.029 | 25.944 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 220 | LEU | 0 | -0.011 | 0.008 | 27.071 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 221 | ILE | 0 | 0.010 | 0.015 | 28.264 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 222 | ASP | -1 | -0.886 | -0.946 | 31.596 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 223 | VAL | 0 | 0.054 | 0.017 | 34.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 224 | PRO | 0 | 0.023 | 0.017 | 36.815 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 225 | GLN | 0 | 0.022 | 0.020 | 38.922 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 226 | MET | 0 | -0.004 | 0.030 | 38.808 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 227 | LYS | 1 | 0.899 | 0.958 | 35.382 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 228 | PRO | 0 | 0.034 | 0.030 | 36.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 229 | LEU | 0 | -0.059 | -0.025 | 31.102 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 230 | VAL | 0 | -0.008 | 0.010 | 31.771 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 231 | HIS | 0 | 0.007 | -0.006 | 28.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 232 | VAL | 0 | 0.036 | 0.025 | 29.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 233 | SER | 0 | 0.023 | 0.008 | 29.640 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 234 | GLY | 0 | 0.010 | -0.008 | 30.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 235 | MET | 0 | -0.061 | -0.031 | 32.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 236 | PHE | 0 | -0.050 | -0.016 | 34.490 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 237 | GLY | 0 | 0.049 | 0.056 | 36.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 238 | ALA | 0 | 0.027 | -0.004 | 36.870 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 239 | TRP | 0 | 0.071 | 0.032 | 37.866 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 240 | ARG | 1 | 0.815 | 0.921 | 38.880 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 241 | GLY | 0 | 0.066 | 0.019 | 36.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 242 | ASN | 0 | -0.078 | -0.026 | 33.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 243 | THR | 0 | 0.015 | -0.003 | 33.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 244 | SER | 0 | 0.029 | 0.001 | 35.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 245 | TRP | 0 | -0.057 | -0.024 | 36.135 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 246 | VAL | 0 | -0.020 | -0.016 | 33.849 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 247 | ALA | 0 | 0.045 | 0.015 | 37.067 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 248 | PRO | 0 | -0.022 | -0.002 | 34.105 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 249 | LEU | 0 | 0.040 | 0.001 | 36.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 250 | ALA | 0 | 0.057 | 0.031 | 36.754 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 251 | TRP | 0 | 0.003 | 0.001 | 27.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 252 | HIS | 0 | 0.015 | 0.019 | 31.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 253 | PRO | 0 | 0.018 | 0.003 | 33.256 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 254 | GLU | -1 | -0.890 | -0.929 | 32.916 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 255 | ASN | 0 | -0.019 | -0.009 | 27.375 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 256 | ARG | 1 | 1.030 | 0.998 | 24.866 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 257 | ASN | 0 | -0.034 | -0.009 | 22.424 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 258 | ALA | 0 | -0.018 | 0.006 | 26.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 259 | VAL | 0 | 0.022 | 0.018 | 29.225 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 260 | ILE | 0 | 0.005 | -0.002 | 31.594 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 261 | MET | 0 | -0.044 | -0.012 | 31.678 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 262 | VAL | 0 | 0.049 | 0.030 | 36.086 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 263 | ASP | -1 | -0.778 | -0.861 | 38.828 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 264 | LEU | 0 | -0.014 | -0.015 | 39.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 265 | ALA | 0 | 0.064 | 0.033 | 41.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 266 | GLY | 0 | 0.011 | 0.033 | 43.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 267 | ASP | -1 | -0.872 | -0.942 | 44.827 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 268 | ILE | 0 | -0.020 | -0.031 | 45.022 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 269 | SER | 0 | 0.067 | 0.036 | 47.622 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 270 | PRO | 0 | -0.009 | 0.001 | 48.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 271 | LEU | 0 | -0.024 | -0.007 | 43.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 272 | LEU | 0 | -0.025 | -0.018 | 47.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 273 | GLU | -1 | -0.986 | -0.994 | 50.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 274 | LEU | 0 | -0.024 | -0.004 | 50.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 275 | ASP | -1 | -0.913 | -0.944 | 50.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 276 | NME | 0 | -0.004 | 0.008 | 47.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 294 | ACE | 0 | 0.037 | -0.018 | 49.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 295 | ALA | 0 | -0.024 | -0.017 | 44.745 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 296 | VAL | 0 | 0.064 | 0.034 | 43.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 297 | PRO | 0 | -0.031 | 0.012 | 41.875 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 298 | VAL | 0 | 0.016 | -0.002 | 38.687 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 299 | LYS | 1 | 0.807 | 0.904 | 31.074 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 300 | LEU | 0 | 0.006 | 0.007 | 31.473 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 301 | VAL | 0 | -0.009 | 0.000 | 28.156 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 302 | HIS | 0 | 0.044 | 0.026 | 25.403 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 303 | ILE | 0 | 0.046 | 0.010 | 23.477 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 304 | ASN | 0 | -0.016 | -0.012 | 19.980 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 305 | LYS | 1 | 0.812 | 0.911 | 19.901 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 306 | CYS | 0 | 0.027 | 0.043 | 18.824 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 307 | PRO | 0 | -0.006 | 0.025 | 21.571 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 308 | VAL | 0 | 0.020 | 0.019 | 24.895 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 309 | LEU | 0 | -0.002 | 0.001 | 26.752 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 310 | ALA | 0 | 0.031 | 0.028 | 27.663 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 311 | GLN | 0 | 0.050 | 0.027 | 30.188 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 312 | ALA | 0 | 0.025 | 0.001 | 33.211 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 313 | ASN | 0 | -0.016 | 0.001 | 35.824 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 314 | THR | 0 | -0.019 | -0.012 | 31.123 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 315 | LEU | 0 | 0.008 | 0.034 | 34.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 316 | ARG | 1 | 0.902 | 0.954 | 35.095 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 317 | PRO | 0 | -0.011 | -0.013 | 39.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 318 | GLU | -1 | -0.731 | -0.859 | 41.000 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 319 | ASP | -1 | -0.729 | -0.830 | 38.243 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 320 | ALA | 0 | -0.012 | -0.016 | 40.461 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 321 | ASP | -1 | -0.886 | -0.923 | 41.893 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 322 | ARG | 1 | 0.798 | 0.901 | 36.996 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 323 | LEU | 0 | -0.052 | -0.018 | 37.355 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 324 | GLY | 0 | 0.069 | 0.058 | 41.897 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 325 | ILE | 0 | -0.074 | -0.019 | 39.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 326 | ASN | 0 | 0.109 | 0.062 | 43.559 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 327 | ARG | 1 | 0.912 | 0.922 | 42.081 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 328 | GLN | 0 | -0.043 | -0.033 | 45.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 329 | HIS | 0 | 0.009 | 0.018 | 46.291 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 330 | CYS | 0 | -0.042 | -0.006 | 42.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 331 | LEU | 0 | -0.056 | -0.039 | 44.206 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 332 | ASP | -1 | -0.736 | -0.839 | 46.359 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 333 | ASN | 0 | 0.117 | 0.053 | 45.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 334 | LEU | 0 | -0.081 | -0.030 | 41.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 335 | LYS | 1 | 0.894 | 0.956 | 45.127 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 336 | ILE | 0 | 0.076 | 0.055 | 48.382 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 337 | LEU | 0 | -0.002 | -0.008 | 43.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 338 | ARG | 1 | 0.866 | 0.923 | 41.346 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 339 | GLU | -1 | -0.908 | -0.948 | 46.455 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 340 | ASN | 0 | -0.076 | -0.025 | 48.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 341 | PRO | 0 | -0.010 | -0.013 | 45.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 342 | GLN | 0 | 0.075 | 0.037 | 45.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 343 | VAL | 0 | -0.019 | -0.017 | 43.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 344 | ARG | 1 | 0.795 | 0.887 | 39.904 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 345 | GLU | -1 | -0.914 | -0.958 | 41.675 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 346 | LYS | 1 | 0.793 | 0.924 | 43.765 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 347 | VAL | 0 | -0.011 | 0.013 | 39.956 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 348 | NME | 0 | -0.012 | -0.014 | 37.878 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 360 | ACE | 0 | -0.007 | -0.016 | 42.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 361 | ASP | -1 | -0.820 | -0.900 | 37.850 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 362 | ASN | 0 | -0.006 | 0.001 | 35.109 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 363 | VAL | 0 | 0.030 | 0.019 | 31.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 364 | ASP | -1 | -0.688 | -0.805 | 30.583 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 365 | ALA | 0 | -0.011 | 0.010 | 30.371 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 366 | GLN | 0 | -0.007 | 0.002 | 31.675 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 367 | LEU | 0 | 0.055 | 0.047 | 23.899 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 368 | TYR | 0 | -0.083 | -0.073 | 24.988 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 369 | ASN | 0 | 0.010 | 0.007 | 29.356 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 370 | GLY | 0 | 0.032 | 0.026 | 29.818 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 371 | PHE | 0 | -0.053 | -0.023 | 23.584 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 372 | PHE | 0 | 0.024 | 0.021 | 24.931 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 373 | SER | 0 | 0.033 | 0.003 | 26.186 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 374 | ASP | -1 | -0.861 | -0.950 | 24.524 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 375 | ALA | 0 | 0.014 | 0.018 | 25.285 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 376 | ASP | -1 | -0.660 | -0.827 | 27.446 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 377 | ARG | 1 | 0.914 | 0.965 | 20.773 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 378 | ALA | 0 | 0.011 | 0.025 | 22.925 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 379 | ALA | 0 | 0.042 | 0.029 | 24.035 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 380 | MET | 0 | -0.035 | -0.027 | 24.095 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 381 | LYS | 1 | 0.915 | 0.978 | 17.123 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 382 | ILE | 0 | 0.000 | 0.006 | 21.719 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 383 | VAL | 0 | 0.004 | 0.025 | 24.256 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 384 | LEU | 0 | -0.034 | 0.010 | 17.712 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 385 | GLU | -1 | -0.816 | -0.884 | 17.337 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 386 | THR | 0 | -0.031 | -0.009 | 21.347 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 387 | GLU | -1 | -0.859 | -0.931 | 24.764 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 388 | PRO | 0 | 0.071 | 0.030 | 25.371 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 389 | ARG | 1 | 0.894 | 0.942 | 28.143 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 390 | ASN | 0 | -0.005 | 0.002 | 28.782 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 391 | LEU | 0 | 0.035 | 0.029 | 27.739 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 392 | PRO | 0 | -0.037 | -0.002 | 30.920 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 393 | ALA | 0 | 0.023 | 0.023 | 34.356 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 394 | LEU | 0 | -0.045 | -0.002 | 28.546 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 395 | ASP | -1 | -0.841 | -0.896 | 32.708 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 396 | ILE | 0 | -0.049 | -0.040 | 28.328 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 397 | THR | 0 | -0.043 | -0.011 | 32.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 398 | PHE | 0 | 0.063 | 0.017 | 28.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 399 | VAL | 0 | -0.045 | -0.025 | 32.518 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 400 | ASP | -1 | -0.852 | -0.909 | 31.042 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 401 | LYS | 1 | 0.968 | 0.987 | 33.097 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 402 | ARG | 1 | 0.770 | 0.867 | 28.636 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 403 | ILE | 0 | 0.030 | 0.018 | 29.005 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 404 | GLU | -1 | -0.728 | -0.807 | 31.444 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 405 | LYS | 1 | 0.930 | 0.975 | 34.487 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 406 | LEU | 0 | -0.001 | 0.014 | 27.686 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 407 | LEU | 0 | 0.032 | 0.017 | 29.344 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 408 | PHE | 0 | 0.030 | 0.013 | 31.107 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 409 | ASN | 0 | 0.026 | 0.007 | 31.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 410 | TYR | 0 | -0.069 | -0.009 | 24.325 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 411 | ARG | 1 | 0.831 | 0.887 | 29.673 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 412 | ALA | 0 | 0.019 | 0.014 | 31.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 413 | ARG | 1 | 0.772 | 0.876 | 30.494 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 414 | ASN | 0 | -0.005 | 0.011 | 26.774 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 415 | PHE | 0 | 0.029 | 0.004 | 25.497 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 416 | PRO | 0 | 0.105 | 0.070 | 31.625 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 417 | GLY | 0 | -0.025 | -0.010 | 34.888 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 418 | THR | 0 | -0.083 | -0.039 | 32.279 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 419 | LEU | 0 | -0.039 | 0.000 | 35.635 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 420 | ASP | -1 | -0.786 | -0.890 | 38.121 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 421 | TYR | 0 | 0.008 | -0.020 | 41.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 422 | ALA | 0 | 0.039 | 0.014 | 44.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 423 | GLU | -1 | -0.714 | -0.814 | 37.985 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 424 | GLN | 0 | 0.005 | -0.001 | 40.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 425 | GLN | 0 | 0.059 | 0.055 | 42.172 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 426 | ARG | 1 | 0.794 | 0.881 | 38.122 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 427 | TRP | 0 | -0.030 | -0.016 | 34.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 428 | LEU | 0 | -0.007 | 0.005 | 40.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 429 | GLU | -1 | -0.836 | -0.916 | 43.820 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 430 | HIS | 0 | -0.029 | -0.003 | 36.570 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 431 | ARG | 1 | 0.849 | 0.911 | 39.786 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 432 | ARG | 1 | 0.900 | 0.963 | 41.829 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 433 | GLN | 0 | -0.046 | -0.016 | 43.218 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 434 | VAL | 0 | -0.003 | 0.035 | 38.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 435 | PHE | 0 | -0.014 | 0.009 | 39.616 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 436 | THR | 0 | 0.039 | 0.002 | 44.501 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 437 | PRO | 0 | 0.018 | -0.007 | 47.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 438 | GLU | -1 | -0.835 | -0.898 | 48.452 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 439 | PHE | 0 | 0.027 | 0.031 | 40.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 440 | LEU | 0 | 0.005 | -0.007 | 45.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 441 | GLN | 0 | -0.052 | -0.019 | 47.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 442 | GLY | 0 | 0.088 | 0.055 | 47.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 443 | TYR | 0 | -0.022 | -0.024 | 39.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 444 | ALA | 0 | 0.002 | 0.005 | 45.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 445 | ASP | -1 | -0.809 | -0.901 | 48.427 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 446 | GLU | -1 | -0.725 | -0.843 | 42.398 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 447 | LEU | 0 | -0.016 | -0.009 | 42.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 448 | GLN | 0 | -0.030 | -0.020 | 46.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 449 | MET | 0 | 0.009 | 0.017 | 46.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 450 | LEU | 0 | 0.008 | 0.009 | 42.990 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 451 | VAL | 0 | -0.029 | -0.009 | 47.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 452 | GLN | 0 | -0.021 | -0.005 | 48.700 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 453 | GLN | 0 | 0.036 | 0.037 | 46.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 454 | TYR | 0 | -0.033 | -0.036 | 43.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 455 | ALA | 0 | 0.011 | 0.023 | 47.789 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 456 | ASP | -1 | -0.902 | -0.951 | 50.469 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 457 | ASP | -1 | -0.859 | -0.910 | 43.638 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 458 | LYS | 1 | 0.995 | 0.976 | 46.036 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 459 | GLU | -1 | -0.876 | -0.927 | 40.609 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 460 | LYS | 1 | 0.911 | 0.967 | 40.349 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 461 | VAL | 0 | 0.007 | 0.020 | 42.830 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 462 | ALA | 0 | -0.020 | -0.005 | 42.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 463 | LEU | 0 | -0.021 | -0.010 | 37.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 464 | LEU | 0 | 0.029 | 0.015 | 41.055 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 465 | LYS | 1 | 0.931 | 0.979 | 43.602 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 466 | ALA | 0 | -0.020 | -0.008 | 39.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 467 | LEU | 0 | 0.035 | 0.025 | 38.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 468 | TRP | 0 | 0.011 | 0.018 | 41.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 469 | GLN | 0 | -0.010 | 0.010 | 42.285 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 470 | TYR | 0 | -0.036 | -0.037 | 35.886 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 471 | ALA | 0 | 0.036 | 0.010 | 41.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 472 | ASP | -1 | -0.904 | -0.947 | 43.182 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 473 | GLU | -1 | -0.813 | -0.829 | 40.848 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 474 | ILE | 0 | -0.078 | -0.029 | 38.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 475 | NME | 0 | 0.024 | 0.013 | 42.297 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 2000 | MG2 | 2 | 0.438 | 1.582 | 28.169 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 2001 | MG2 | 2 | 0.268 | 1.539 | 24.923 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 2002 | NA+ | 1 | -0.354 | 0.533 | 26.094 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 3000 | TMP | -2 | -1.348 | -1.737 | 26.787 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 3001 | HOH | 0 | -0.011 | -0.010 | 28.488 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 3002 | HOH | 0 | -0.004 | -0.015 | 28.334 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 3003 | HOH | 0 | -0.028 | -0.027 | 27.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 3004 | HOH | 0 | -0.029 | -0.029 | 26.720 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 3005 | HOH | 0 | -0.023 | -0.021 | 27.490 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 3007 | HOH | 0 | -0.045 | -0.040 | 32.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 3008 | HOH | 0 | -0.002 | -0.011 | 29.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 3009 | HOH | 0 | -0.022 | -0.022 | 34.805 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 3010 | HOH | 0 | 0.020 | 0.002 | 20.369 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 3011 | HOH | 0 | -0.034 | -0.021 | 30.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 3012 | HOH | 0 | 0.009 | -0.006 | 21.999 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 3013 | HOH | 0 | -0.002 | -0.014 | 22.046 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 3014 | HOH | 0 | -0.022 | -0.024 | 26.451 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 3015 | HOH | 0 | 0.002 | 0.002 | 27.393 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 3016 | HOH | 0 | -0.011 | -0.008 | 30.023 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 3017 | HOH | 0 | -0.002 | -0.011 | 15.851 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 3018 | HOH | 0 | -0.029 | -0.024 | 28.472 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 3019 | HOH | 0 | -0.025 | -0.022 | 21.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 3020 | HOH | 0 | -0.035 | -0.034 | 35.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 3021 | HOH | 0 | -0.030 | -0.031 | 28.709 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 3022 | HOH | 0 | -0.003 | -0.006 | 34.215 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 3024 | HOH | 0 | -0.005 | -0.007 | 17.505 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 3025 | HOH | 0 | 0.006 | 0.001 | 18.163 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 3026 | HOH | 0 | 0.008 | -0.003 | 22.158 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 3027 | HOH | 0 | -0.020 | -0.025 | 19.517 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 3028 | HOH | 0 | -0.025 | -0.027 | 32.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 3029 | HOH | 0 | -0.028 | -0.027 | 24.201 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 3031 | HOH | 0 | 0.009 | 0.007 | 22.535 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 3032 | HOH | 0 | -0.062 | -0.037 | 42.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 3033 | HOH | 0 | 0.008 | 0.000 | 36.110 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 3034 | HOH | 0 | -0.029 | -0.030 | 33.672 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 3036 | HOH | 0 | -0.016 | -0.007 | 35.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 3038 | HOH | 0 | 0.006 | -0.005 | 11.981 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 3039 | HOH | 0 | -0.010 | -0.009 | 20.237 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 3040 | HOH | 0 | 0.007 | -0.005 | 33.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 3041 | HOH | 0 | -0.008 | 0.009 | 34.854 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 3042 | HOH | 0 | -0.045 | -0.041 | 28.272 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 3043 | HOH | 0 | -0.047 | -0.033 | 29.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 3044 | HOH | 0 | -0.017 | -0.017 | 19.208 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 3045 | HOH | 0 | -0.032 | -0.029 | 22.122 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 3046 | HOH | 0 | -0.051 | -0.042 | 34.932 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 3047 | HOH | 0 | 0.006 | -0.003 | 35.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 3048 | HOH | 0 | 0.032 | 0.020 | 14.808 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 3049 | HOH | 0 | -0.027 | -0.012 | 3.127 | 0.152 | 0.344 | 0.018 | -0.109 | -0.102 | 0.000 |
491 | A | 3051 | HOH | 0 | 0.002 | 0.006 | 22.141 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 3052 | HOH | 0 | -0.025 | -0.029 | 37.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 3053 | HOH | 0 | 0.012 | 0.003 | 49.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 3054 | HOH | 0 | -0.025 | -0.018 | 35.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 3055 | HOH | 0 | -0.039 | -0.026 | 28.606 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 3056 | HOH | 0 | 0.033 | 0.023 | 28.116 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 3057 | HOH | 0 | -0.037 | -0.030 | 25.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 3058 | HOH | 0 | -0.029 | -0.016 | 45.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 3059 | HOH | 0 | -0.064 | -0.041 | 25.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 3060 | HOH | 0 | -0.029 | -0.026 | 24.756 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 3061 | HOH | 0 | 0.024 | 0.011 | 28.881 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 3062 | HOH | 0 | -0.036 | -0.027 | 46.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 3063 | HOH | 0 | 0.007 | -0.005 | 35.028 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 3064 | HOH | 0 | 0.016 | -0.001 | 26.342 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 3065 | HOH | 0 | -0.054 | -0.035 | 16.728 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 3066 | HOH | 0 | -0.027 | -0.018 | 38.184 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 3067 | HOH | 0 | -0.007 | -0.004 | 12.941 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 3068 | HOH | 0 | -0.042 | -0.031 | 39.511 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 3069 | HOH | 0 | -0.014 | -0.021 | 23.503 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 3070 | HOH | 0 | -0.032 | -0.041 | 20.019 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 3071 | HOH | 0 | -0.028 | -0.025 | 10.936 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 3072 | HOH | 0 | 0.021 | 0.011 | 13.485 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 3073 | HOH | 0 | 0.003 | 0.007 | 16.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 3074 | HOH | 0 | 0.022 | 0.008 | 14.626 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 3075 | HOH | 0 | -0.020 | -0.015 | 23.916 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 3076 | HOH | 0 | -0.010 | -0.004 | 23.432 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 3077 | HOH | 0 | -0.049 | -0.043 | 27.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 3078 | HOH | 0 | 0.174 | 0.030 | 25.213 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 3079 | HOH | 0 | 0.054 | -0.026 | 24.443 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 3080 | HOH | 0 | 0.053 | -0.053 | 23.573 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 3081 | HOH | 0 | -0.001 | -0.004 | 18.099 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 3083 | HOH | 0 | 0.000 | -0.001 | 24.304 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 3084 | HOH | 0 | 0.000 | -0.005 | 33.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 3085 | HOH | 0 | -0.003 | -0.016 | 39.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 3086 | HOH | 0 | -0.037 | -0.041 | 31.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 3087 | HOH | 0 | 0.005 | -0.008 | 33.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 3088 | HOH | 0 | 0.027 | 0.011 | 29.516 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 3089 | HOH | 0 | -0.025 | -0.026 | 39.765 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 3091 | HOH | 0 | -0.006 | 0.008 | 36.267 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 3092 | HOH | 0 | -0.002 | -0.004 | 35.749 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 3094 | HOH | 0 | -0.055 | -0.053 | 43.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 3096 | HOH | 0 | -0.042 | -0.022 | 43.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 3097 | HOH | 0 | 0.042 | -0.051 | 23.806 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 3098 | HOH | 0 | 0.006 | 0.009 | 33.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 3099 | HOH | 0 | -0.020 | -0.014 | 30.648 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 3100 | HOH | 0 | -0.007 | -0.004 | 34.837 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 3101 | HOH | 0 | -0.006 | -0.010 | 36.408 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 3102 | HOH | 0 | 0.035 | 0.022 | 26.111 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 3104 | HOH | 0 | -0.006 | -0.014 | 28.307 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 3105 | HOH | 0 | 0.050 | 0.011 | 29.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 3106 | HOH | 0 | 0.026 | 0.018 | 22.409 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 3107 | HOH | 0 | 0.084 | -0.018 | 23.629 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 3108 | HOH | 0 | 0.021 | -0.011 | 22.805 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 3109 | HOH | 0 | 0.028 | -0.032 | 25.104 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 3111 | HOH | 0 | 0.178 | 0.016 | 28.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 3112 | HOH | 0 | -0.032 | -0.034 | 27.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 3113 | HOH | 0 | -0.020 | -0.027 | 22.103 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 3116 | HOH | 0 | -0.023 | -0.035 | 36.282 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 3117 | HOH | 0 | -0.017 | -0.023 | 39.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 3119 | HOH | 0 | 0.022 | 0.019 | 39.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 3121 | HOH | 0 | -0.012 | -0.019 | 40.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 3124 | HOH | 0 | 0.025 | 0.018 | 27.242 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 3125 | HOH | 0 | 0.088 | 0.016 | 25.346 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 3126 | HOH | 0 | -0.042 | -0.029 | 13.222 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 3127 | HOH | 0 | 0.020 | 0.001 | 27.658 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 3128 | HOH | 0 | -0.027 | -0.034 | 35.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 3129 | HOH | 0 | -0.027 | -0.039 | 35.690 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 3130 | HOH | 0 | -0.053 | -0.041 | 18.400 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 3132 | HOH | 0 | 0.027 | 0.016 | 16.431 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 3133 | HOH | 0 | -0.017 | -0.024 | 21.272 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 3134 | HOH | 0 | -0.002 | -0.026 | 40.484 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 3135 | HOH | 0 | -0.018 | -0.006 | 42.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 3136 | HOH | 0 | -0.029 | -0.030 | 28.381 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 3137 | HOH | 0 | -0.046 | -0.029 | 22.222 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 3138 | HOH | 0 | -0.049 | -0.032 | 39.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 3139 | HOH | 0 | 0.016 | 0.017 | 34.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 3140 | HOH | 0 | -0.053 | -0.045 | 25.688 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 3141 | HOH | 0 | -0.028 | -0.026 | 30.343 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 3142 | HOH | 0 | -0.037 | -0.024 | 24.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 3143 | HOH | 0 | 0.043 | 0.022 | 39.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 3144 | HOH | 0 | 0.006 | 0.001 | 44.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 3146 | HOH | 0 | -0.003 | 0.010 | 25.972 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 3147 | HOH | 0 | -0.018 | -0.011 | 31.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 3149 | HOH | 0 | -0.011 | -0.011 | 35.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 3150 | HOH | 0 | 0.015 | 0.011 | 38.911 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 3151 | HOH | 0 | 0.007 | 0.014 | 9.391 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 3153 | HOH | 0 | 0.013 | 0.012 | 7.801 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 3155 | HOH | 0 | -0.041 | -0.031 | 35.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 3157 | HOH | 0 | -0.027 | -0.021 | 19.902 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 3159 | HOH | 0 | -0.039 | -0.025 | 44.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 3160 | HOH | 0 | -0.062 | -0.063 | 12.217 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 3161 | HOH | 0 | -0.017 | -0.019 | 31.072 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 3165 | HOH | 0 | -0.069 | -0.052 | 20.358 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 3167 | HOH | 0 | 0.007 | -0.004 | 28.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 3168 | HOH | 0 | 0.015 | 0.024 | 42.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 3169 | HOH | 0 | -0.010 | -0.015 | 45.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 3170 | HOH | 0 | -0.039 | -0.028 | 40.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 3171 | HOH | 0 | 0.017 | -0.002 | 25.690 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 3173 | HOH | 0 | 0.093 | -0.029 | 26.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 3176 | HOH | 0 | 0.015 | 0.001 | 7.994 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 3179 | HOH | 0 | -0.055 | -0.027 | 13.375 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 3180 | HOH | 0 | -0.037 | -0.025 | 11.245 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 3181 | HOH | 0 | -0.058 | -0.038 | 37.747 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 3182 | HOH | 0 | -0.042 | -0.026 | 7.725 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 3184 | HOH | 0 | -0.053 | -0.048 | 43.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 3185 | HOH | 0 | 0.012 | -0.001 | 35.873 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 3187 | HOH | 0 | -0.010 | -0.012 | 46.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 3188 | HOH | 0 | 0.001 | 0.002 | 51.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 3189 | HOH | 0 | -0.022 | -0.022 | 20.814 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 3190 | HOH | 0 | -0.015 | -0.021 | 34.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 3191 | HOH | 0 | 0.011 | 0.006 | 42.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 3192 | HOH | 0 | -0.019 | -0.016 | 38.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 3193 | HOH | 0 | -0.040 | -0.031 | 47.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 3194 | HOH | 0 | -0.035 | -0.022 | 44.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 3195 | HOH | 0 | -0.041 | -0.033 | 51.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 3200 | HOH | 0 | 0.017 | 0.001 | 15.917 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 3201 | HOH | 0 | -0.022 | -0.016 | 14.207 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 3205 | HOH | 0 | -0.031 | -0.033 | 31.994 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 3206 | HOH | 0 | 0.013 | 0.002 | 22.454 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 3208 | HOH | 0 | -0.013 | -0.005 | 18.968 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 3210 | HOH | 0 | -0.042 | -0.038 | 40.198 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 3211 | HOH | 0 | -0.041 | -0.036 | 31.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 3213 | HOH | 0 | -0.018 | -0.017 | 50.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 3214 | HOH | 0 | -0.009 | -0.016 | 37.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 3215 | HOH | 0 | -0.006 | -0.008 | 38.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 3216 | HOH | 0 | -0.030 | -0.024 | 42.143 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 3217 | HOH | 0 | -0.051 | -0.040 | 51.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 3218 | HOH | 0 | -0.016 | -0.008 | 39.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 3229 | HOH | 0 | -0.033 | -0.027 | 44.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 3230 | HOH | 0 | -0.014 | -0.009 | 28.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 3233 | HOH | 0 | 0.007 | 0.006 | 18.896 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 3235 | HOH | 0 | -0.023 | -0.016 | 36.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 3236 | HOH | 0 | 0.013 | 0.010 | 18.437 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 3238 | HOH | 0 | 0.067 | 0.037 | 34.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 3240 | HOH | 0 | -0.031 | -0.020 | 36.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 3241 | HOH | 0 | 0.016 | 0.010 | 36.955 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 3242 | HOH | 0 | -0.013 | -0.020 | 23.615 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 3243 | HOH | 0 | -0.042 | -0.023 | 45.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 3244 | HOH | 0 | -0.026 | -0.020 | 39.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 3245 | HOH | 0 | -0.066 | -0.038 | 40.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 3247 | HOH | 0 | 0.009 | 0.004 | 8.746 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 3250 | HOH | 0 | -0.011 | -0.008 | 20.250 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 3251 | HOH | 0 | 0.124 | 0.012 | 28.815 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 3255 | HOH | 0 | 0.131 | 0.014 | 29.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 3256 | HOH | 0 | -0.022 | -0.032 | 31.340 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 3257 | HOH | 0 | 0.008 | 0.001 | 30.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 3258 | HOH | 0 | -0.047 | -0.028 | 12.050 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 3259 | HOH | 0 | 0.010 | -0.005 | 23.939 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 3261 | HOH | 0 | -0.034 | -0.022 | 27.003 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 3263 | HOH | 0 | -0.010 | -0.007 | 33.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 3265 | HOH | 0 | -0.013 | -0.009 | 13.123 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 3266 | HOH | 0 | -0.033 | -0.016 | 46.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 3267 | HOH | 0 | -0.031 | -0.018 | 32.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 3268 | HOH | 0 | 0.040 | 0.032 | 11.988 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 3269 | HOH | 0 | -0.005 | 0.004 | 17.560 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 3270 | HOH | 0 | -0.007 | 0.001 | 14.797 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 3272 | HOH | 0 | -0.009 | 0.002 | 18.221 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 3275 | HOH | 0 | 0.003 | -0.005 | 36.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 3279 | HOH | 0 | 0.007 | 0.002 | 32.646 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 3280 | HOH | 0 | -0.037 | -0.039 | 32.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 3281 | HOH | 0 | -0.014 | -0.013 | 37.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 3283 | HOH | 0 | -0.037 | -0.032 | 46.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 3285 | HOH | 0 | 0.024 | 0.021 | 38.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 3288 | HOH | 0 | -0.005 | 0.002 | 35.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 3289 | HOH | 0 | -0.030 | -0.018 | 37.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 3290 | HOH | 0 | 0.027 | -0.004 | 30.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 3295 | HOH | 0 | -0.008 | -0.014 | 13.616 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 3297 | HOH | 0 | 0.009 | -0.004 | 5.841 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 3298 | HOH | 0 | -0.045 | -0.030 | 33.579 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 3300 | HOH | 0 | 0.023 | 0.015 | 30.261 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 3301 | HOH | 0 | 0.011 | 0.030 | 50.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 3302 | HOH | 0 | -0.029 | -0.028 | 23.015 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 3303 | HOH | 0 | -0.004 | -0.013 | 22.310 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 3305 | HOH | 0 | 0.031 | 0.031 | 45.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 3306 | HOH | 0 | -0.021 | -0.010 | 51.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 3307 | HOH | 0 | -0.020 | -0.011 | 51.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 3308 | HOH | 0 | -0.004 | 0.016 | 35.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 3309 | HOH | 0 | -0.036 | -0.037 | 15.765 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 3310 | HOH | 0 | -0.041 | -0.034 | 22.225 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 3314 | HOH | 0 | -0.023 | -0.018 | 24.218 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 3315 | HOH | 0 | 0.032 | 0.023 | 16.528 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 3319 | HOH | 0 | -0.035 | -0.022 | 30.396 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 3329 | HOH | 0 | -0.021 | -0.024 | 42.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 3332 | HOH | 0 | -0.035 | -0.022 | 13.706 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 3338 | HOH | 0 | 0.012 | 0.005 | 18.040 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 3340 | HOH | 0 | 0.022 | 0.021 | 28.400 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 3341 | HOH | 0 | -0.037 | -0.028 | 26.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 3344 | HOH | 0 | -0.041 | -0.025 | 50.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 3346 | HOH | 0 | -0.034 | -0.031 | 51.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 3347 | HOH | 0 | -0.039 | -0.023 | 32.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 3348 | HOH | 0 | -0.033 | -0.022 | 38.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 3349 | HOH | 0 | -0.035 | -0.027 | 22.700 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 3352 | HOH | 0 | -0.072 | -0.041 | 36.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 3354 | HOH | 0 | -0.005 | 0.002 | 45.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 3357 | HOH | 0 | 0.028 | 0.020 | 37.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 3359 | HOH | 0 | -0.011 | -0.008 | 41.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 3360 | HOH | 0 | -0.057 | -0.049 | 42.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 3362 | HOH | 0 | -0.037 | -0.025 | 42.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 3364 | HOH | 0 | -0.029 | -0.021 | 6.220 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 3366 | HOH | 0 | -0.068 | -0.050 | 14.403 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 3375 | HOH | 0 | 0.013 | 0.004 | 40.127 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 3380 | HOH | 0 | 0.021 | 0.012 | 39.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 3381 | HOH | 0 | -0.048 | -0.037 | 41.621 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 3383 | HOH | 0 | -0.027 | -0.020 | 18.001 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 3385 | HOH | 0 | -0.025 | -0.025 | 24.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 3386 | HOH | 0 | -0.037 | -0.035 | 51.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 3390 | HOH | 0 | -0.035 | -0.032 | 51.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 3391 | HOH | 0 | 0.023 | 0.013 | 18.902 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 3392 | HOH | 0 | -0.013 | -0.022 | 33.944 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 3393 | HOH | 0 | 0.044 | 0.022 | 41.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 3394 | HOH | 0 | -0.015 | -0.011 | 34.666 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 3396 | HOH | 0 | -0.047 | -0.048 | 22.019 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 3397 | HOH | 0 | -0.011 | -0.010 | 51.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 3399 | HOH | 0 | 0.037 | 0.019 | 40.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 3400 | HOH | 0 | -0.032 | -0.025 | 36.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 3402 | HOH | 0 | 0.029 | 0.020 | 17.657 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 3403 | HOH | 0 | -0.065 | -0.040 | 49.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 3404 | HOH | 0 | -0.001 | -0.007 | 30.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 3406 | HOH | 0 | -0.021 | -0.015 | 47.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 3407 | HOH | 0 | -0.002 | -0.003 | 39.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 3408 | HOH | 0 | -0.016 | -0.017 | 9.875 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 3409 | HOH | 0 | 0.032 | 0.016 | 3.858 | -0.383 | -0.244 | 0.004 | -0.087 | -0.056 | 0.000 |
713 | A | 3410 | HOH | 0 | -0.037 | -0.031 | 38.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 3411 | HOH | 0 | -0.065 | -0.047 | 25.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 3412 | HOH | 0 | 0.027 | 0.016 | 27.450 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 3413 | HOH | 0 | -0.031 | -0.019 | 43.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 3414 | HOH | 0 | -0.020 | -0.022 | 26.963 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 3415 | HOH | 0 | -0.043 | -0.028 | 30.361 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 3416 | HOH | 0 | -0.001 | 0.008 | 35.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 3418 | HOH | 0 | -0.014 | -0.011 | 44.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 3419 | HOH | 0 | -0.022 | -0.001 | 42.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 3420 | HOH | 0 | -0.036 | -0.025 | 14.776 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 3421 | HOH | 0 | -0.018 | -0.015 | 47.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 3423 | HOH | 0 | -0.017 | -0.014 | 31.799 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 3424 | HOH | 0 | -0.044 | -0.035 | 39.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 3425 | HOH | 0 | -0.003 | -0.011 | 38.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 3426 | HOH | 0 | 0.010 | 0.010 | 26.861 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 3427 | HOH | 0 | -0.056 | -0.042 | 47.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 3428 | HOH | 0 | -0.027 | -0.019 | 39.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 3429 | HOH | 0 | -0.007 | -0.010 | 38.334 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 3431 | HOH | 0 | -0.047 | -0.033 | 29.621 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 3432 | HOH | 0 | -0.035 | -0.022 | 25.645 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 3433 | HOH | 0 | -0.056 | -0.042 | 50.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 3434 | HOH | 0 | -0.030 | -0.020 | 29.584 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 3435 | HOH | 0 | -0.018 | -0.006 | 24.485 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 3436 | HOH | 0 | -0.031 | -0.029 | 41.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 3437 | HOH | 0 | 0.037 | 0.020 | 11.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 3441 | HOH | 0 | -0.019 | -0.019 | 47.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 3442 | HOH | 0 | -0.041 | -0.027 | 45.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 3443 | HOH | 0 | 0.000 | -0.003 | 32.447 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 3446 | HOH | 0 | 0.025 | 0.019 | 37.328 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 3448 | HOH | 0 | -0.023 | -0.016 | 35.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 3449 | HOH | 0 | 0.044 | 0.034 | 28.575 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 3450 | HOH | 0 | -0.026 | -0.016 | 46.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 3452 | HOH | 0 | 0.032 | 0.021 | 45.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 3455 | HOH | 0 | -0.033 | -0.027 | 31.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 3456 | HOH | 0 | -0.027 | -0.020 | 48.725 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 3458 | HOH | 0 | -0.044 | -0.037 | 9.034 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 3459 | HOH | 0 | 0.016 | 0.027 | 50.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 3460 | HOH | 0 | -0.055 | -0.032 | 53.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 3462 | HOH | 0 | -0.018 | -0.027 | 32.645 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 3463 | HOH | 0 | -0.034 | -0.026 | 32.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 3464 | HOH | 0 | -0.035 | -0.021 | 16.557 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 3466 | HOH | 0 | 0.036 | 0.022 | 28.067 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 3467 | HOH | 0 | 0.016 | 0.015 | 39.396 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 3469 | HOH | 0 | -0.016 | -0.010 | 41.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 3471 | HOH | 0 | -0.031 | -0.031 | 45.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 3472 | HOH | 0 | 0.005 | 0.010 | 33.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 3475 | HOH | 0 | -0.007 | -0.010 | 15.103 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 3476 | HOH | 0 | -0.051 | -0.028 | 11.462 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 3480 | HOH | 0 | 0.002 | -0.006 | 46.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 3482 | HOH | 0 | -0.042 | -0.019 | 10.361 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 3483 | HOH | 0 | -0.028 | -0.020 | 44.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 3495 | HOH | 0 | -0.036 | -0.025 | 45.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 3496 | HOH | 0 | -0.009 | -0.009 | 49.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 3499 | HOH | 0 | -0.044 | -0.047 | 52.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 3500 | HOH | 0 | -0.038 | -0.019 | 40.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 3502 | HOH | 0 | -0.039 | -0.021 | 42.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 3503 | HOH | 0 | -0.031 | -0.025 | 36.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 3504 | HOH | 0 | -0.052 | -0.035 | 41.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 3507 | HOH | 0 | -0.021 | -0.026 | 36.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 3508 | HOH | 0 | 0.044 | 0.032 | 25.772 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 3509 | HOH | 0 | -0.046 | -0.027 | 5.656 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 3510 | HOH | 0 | -0.009 | -0.012 | 37.718 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 3511 | HOH | 0 | -0.068 | -0.054 | 18.838 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 3515 | HOH | 0 | -0.065 | -0.042 | 45.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 3517 | HOH | 0 | -0.024 | -0.023 | 44.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 3518 | HOH | 0 | -0.032 | -0.025 | 53.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 3519 | HOH | 0 | -0.017 | -0.026 | 48.436 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 3521 | HOH | 0 | 0.035 | 0.027 | 22.457 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 3522 | HOH | 0 | -0.010 | -0.006 | 24.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 3524 | HOH | 0 | -0.051 | -0.028 | 43.028 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 3534 | HOH | 0 | -0.052 | -0.028 | 40.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 3535 | HOH | 0 | 0.033 | 0.018 | 38.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 3536 | HOH | 0 | 0.005 | -0.008 | 9.026 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 3537 | HOH | 0 | -0.032 | -0.023 | 14.505 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 3541 | HOH | 0 | -0.036 | -0.023 | 36.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |