![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 4N1YN
Calculation Name: 5RLS-B-Xray89
Preferred Name:
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Target Type:
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Ligand Name: n-hydroxyquinoline-2-carboxamide
ligand 3-letter code: VWG
PDB ID: 5RLS
Chain ID: B
ChEMBL ID:
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UniProt ID:
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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.
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 method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 798 |
LigandCharge | CYM=-1 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
FMO2-HF: Electronic energy | -13753516.097307 |
---|---|
FMO2-HF: Nuclear repulsion | 13505090.783769 |
FMO2-HF: Total energy | -248425.313538 |
FMO2-MP2: Total energy | -249130.926361 |
![ligand structure](./Kdata/F014161/ligand_interaction/ligand_F014161.png)
![ligand interaction](./Kdata/F014161/ligand_interaction/ligand_interaction_F014161.png)
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(B:2:VAL )
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-29.843 | -39.238 | 40.735 | -15.593 | -15.744 | -0.035 |
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 | B | 4 | ALA | 0 | 0.007 | 0.010 | 3.863 | -0.862 | 1.787 | -0.020 | -1.471 | -1.158 | 0.003 |
4 | B | 5 | CYM | -1 | -0.801 | -0.771 | 6.860 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | VAL | 0 | -0.028 | -0.019 | 9.014 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | LEU | 0 | 0.023 | -0.027 | 11.629 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | CYS | 0 | -0.044 | -0.024 | 12.225 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASN | 0 | -0.059 | -0.022 | 10.144 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | SER | 0 | 0.005 | 0.000 | 9.205 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | GLN | 0 | 0.043 | 0.011 | 3.438 | -1.347 | -0.672 | 0.037 | -0.272 | -0.440 | -0.002 |
11 | B | 12 | THR | 0 | -0.008 | -0.008 | 4.053 | 0.087 | 0.423 | 0.002 | -0.087 | -0.250 | 0.000 |
12 | B | 13 | SER | 0 | -0.029 | -0.019 | 2.255 | -4.279 | -2.193 | 5.039 | -3.538 | -3.587 | -0.014 |
13 | B | 14 | LEU | 0 | -0.037 | -0.007 | 2.988 | 4.236 | 2.074 | 0.049 | 2.657 | -0.544 | -0.002 |
14 | B | 15 | ARG | 1 | 0.920 | 0.960 | 3.582 | -9.243 | -8.633 | 0.003 | -0.281 | -0.332 | 0.002 |
15 | B | 16 | CYM | -1 | -0.837 | -0.722 | 7.233 | 0.772 | 0.772 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | GLY | 0 | 0.029 | -0.019 | 11.080 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | 0.008 | -0.006 | 12.509 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | CYS | 0 | -0.040 | -0.074 | 12.990 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | ILE | 0 | -0.009 | -0.003 | 13.711 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ARG | 1 | 0.755 | 0.857 | 12.460 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.853 | 0.951 | 8.742 | -0.987 | -0.987 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | PRO | 0 | 0.026 | 0.029 | 7.987 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | PHE | 0 | 0.034 | 0.001 | 2.063 | -1.544 | -1.857 | 5.306 | -2.038 | -2.955 | -0.014 |
24 | B | 25 | LEU | 0 | -0.006 | 0.005 | 6.732 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | CYS | 0 | -0.025 | -0.071 | 8.023 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | CYS | 0 | -0.022 | -0.023 | 9.040 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.913 | 0.945 | 10.797 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | CYS | 0 | 0.073 | 0.026 | 12.465 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | CYS | 0 | -0.072 | -0.023 | 10.191 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | TYR | 0 | 0.030 | 0.035 | 12.684 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ASP | -1 | -0.786 | -0.886 | 15.892 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | HIS | 1 | 0.779 | 0.834 | 13.951 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | VAL | 0 | -0.008 | -0.003 | 14.626 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | ILE | 0 | -0.043 | -0.013 | 17.459 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | SER | 0 | -0.033 | -0.010 | 20.279 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | THR | 0 | -0.037 | -0.014 | 19.072 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | SER | 0 | 0.028 | 0.007 | 21.477 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | HIS | 0 | -0.017 | -0.031 | 15.971 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | LYS | 1 | 0.860 | 0.930 | 17.288 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | LEU | 0 | -0.034 | 0.004 | 13.696 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | VAL | 0 | 0.019 | 0.004 | 9.596 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | LEU | 0 | -0.039 | -0.026 | 8.488 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | SER | 0 | 0.065 | 0.037 | 4.849 | 0.748 | 0.748 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | VAL | 0 | -0.041 | -0.021 | 4.053 | 0.476 | 0.689 | 0.001 | -0.027 | -0.187 | 0.000 |
45 | B | 46 | ASN | 0 | 0.010 | 0.011 | 5.714 | -0.470 | -0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PRO | 0 | -0.004 | -0.010 | 8.694 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | TYR | 0 | -0.059 | -0.042 | 8.625 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | VAL | 0 | 0.034 | 0.013 | 12.549 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | CYS | 0 | -0.076 | -0.007 | 15.961 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ASN | 0 | 0.024 | -0.003 | 15.794 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | -0.003 | 0.007 | 18.945 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | PRO | 0 | 0.015 | -0.014 | 22.753 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | GLY | 0 | 0.005 | 0.011 | 24.590 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | CYS | 0 | -0.054 | 0.003 | 22.999 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ASP | -1 | -0.857 | -0.925 | 22.300 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | VAL | 0 | 0.010 | -0.005 | 20.389 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | THR | 0 | -0.002 | -0.016 | 17.777 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ASP | -1 | -0.761 | -0.825 | 17.101 | 0.574 | 0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | VAL | 0 | 0.066 | 0.015 | 13.685 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | THR | 0 | -0.026 | -0.050 | 16.562 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLN | 0 | -0.097 | -0.031 | 19.738 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | 0.018 | 0.014 | 15.934 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | TYR | 0 | 0.000 | -0.012 | 17.861 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | LEU | 0 | 0.008 | 0.014 | 12.473 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | -0.014 | -0.017 | 16.265 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | GLY | 0 | 0.024 | 0.019 | 18.401 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | MET | 0 | -0.013 | -0.021 | 12.981 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | SER | 0 | -0.002 | 0.020 | 13.605 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | TYR | 0 | 0.018 | 0.005 | 9.885 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | TYR | 0 | 0.030 | 0.019 | 16.019 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | CYS | 0 | -0.001 | 0.012 | 19.556 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | LYS | 1 | 1.001 | 0.974 | 21.830 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | -0.024 | -0.028 | 24.795 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | HIS | 0 | 0.052 | 0.002 | 23.477 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | LYS | 1 | 0.848 | 0.958 | 22.109 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | PRO | 0 | 0.040 | 0.044 | 21.525 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | PRO | 0 | 0.001 | -0.013 | 24.490 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | ILE | 0 | 0.001 | 0.003 | 22.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | SER | 0 | 0.014 | -0.003 | 20.169 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | PHE | 0 | 0.004 | 0.024 | 14.503 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | PRO | 0 | 0.012 | 0.020 | 17.887 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | LEU | 0 | 0.000 | 0.004 | 12.853 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | CYS | 0 | -0.018 | 0.019 | 15.301 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | ALA | 0 | 0.034 | 0.015 | 17.538 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | ASN | 0 | 0.008 | 0.016 | 18.019 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | GLY | 0 | 0.039 | 0.024 | 18.848 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLN | 0 | -0.034 | -0.023 | 13.836 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | VAL | 0 | 0.037 | 0.020 | 11.435 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | PHE | 0 | 0.003 | -0.007 | 10.881 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | GLY | 0 | 0.063 | 0.022 | 7.748 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | LEU | 0 | -0.021 | -0.006 | 3.438 | -0.773 | -0.310 | 0.034 | -0.104 | -0.393 | 0.000 |
92 | B | 93 | TYR | 0 | -0.011 | -0.012 | 2.744 | -0.425 | 0.228 | 0.383 | -0.213 | -0.822 | -0.001 |
93 | B | 94 | LYS | 1 | 1.040 | 1.022 | 7.773 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | ASN | 0 | -0.018 | -0.006 | 10.769 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | THR | 0 | -0.017 | 0.000 | 9.293 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | CYS | 0 | -0.019 | -0.002 | 10.519 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | VAL | 0 | 0.028 | 0.029 | 12.602 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | GLY | 0 | 0.066 | 0.008 | 14.728 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | SER | 0 | -0.036 | -0.047 | 16.314 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | ASP | -1 | -0.869 | -0.923 | 18.978 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | ASN | 0 | -0.012 | -0.005 | 22.090 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | VAL | 0 | -0.009 | 0.016 | 16.806 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | THR | 0 | 0.021 | -0.011 | 19.937 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | ASP | -1 | -0.761 | -0.855 | 21.967 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | PHE | 0 | -0.006 | -0.012 | 13.607 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | ASN | 0 | 0.037 | 0.012 | 18.714 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | ALA | 0 | 0.033 | 0.047 | 20.195 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ILE | 0 | 0.002 | 0.008 | 18.970 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ALA | 0 | -0.028 | -0.018 | 17.138 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | -0.031 | -0.031 | 18.786 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | CYS | 0 | -0.005 | 0.041 | 21.875 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | ASP | -1 | -0.752 | -0.817 | 23.627 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | TRP | 0 | -0.005 | -0.010 | 20.935 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | THR | 0 | -0.003 | -0.022 | 26.832 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | ASN | 0 | -0.035 | -0.022 | 29.497 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 117 | ALA | 0 | 0.061 | 0.021 | 30.403 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | GLY | 0 | 0.010 | -0.009 | 30.949 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | ASP | -1 | -0.787 | -0.858 | 26.302 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 120 | TYR | 0 | -0.008 | -0.037 | 26.181 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | ILE | 0 | -0.014 | -0.001 | 27.845 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | LEU | 0 | 0.026 | 0.046 | 24.200 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 123 | ALA | 0 | -0.013 | -0.012 | 23.398 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | ASN | 0 | 0.004 | 0.000 | 23.938 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | THR | 0 | -0.029 | -0.031 | 26.574 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | CYS | 0 | -0.026 | 0.028 | 22.058 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | THR | 0 | 0.045 | 0.022 | 19.926 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | GLU | -1 | -0.694 | -0.824 | 20.466 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | ARG | 1 | 0.881 | 0.913 | 10.696 | 0.540 | 0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | LEU | 0 | 0.029 | 0.007 | 16.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LYS | 1 | 0.838 | 0.938 | 18.462 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | -0.014 | 0.001 | 16.045 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | PHE | 0 | 0.018 | 0.008 | 13.692 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | ALA | 0 | 0.027 | 0.009 | 16.010 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | ALA | 0 | 0.016 | 0.009 | 19.267 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | GLU | -1 | -0.747 | -0.843 | 12.905 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | THR | 0 | 0.008 | -0.002 | 16.626 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | LEU | 0 | -0.052 | 0.027 | 18.022 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | LYS | 1 | 0.947 | 0.982 | 19.906 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | ALA | 0 | -0.011 | -0.007 | 17.291 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | THR | 0 | 0.021 | -0.006 | 19.394 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | GLU | -1 | -0.735 | -0.806 | 22.040 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | GLU | -1 | -0.794 | -0.878 | 21.536 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | THR | 0 | -0.014 | -0.018 | 21.031 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | PHE | 0 | 0.018 | 0.012 | 23.529 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LYS | 1 | 0.786 | 0.890 | 25.851 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LEU | 0 | -0.005 | -0.003 | 23.174 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | SER | 0 | -0.079 | -0.047 | 27.690 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | TYR | 0 | -0.014 | -0.003 | 29.707 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | GLY | 0 | 0.000 | 0.003 | 32.496 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | ILE | 0 | -0.040 | -0.028 | 32.485 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | -0.004 | 0.005 | 35.954 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | THR | 0 | -0.004 | -0.013 | 39.364 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | VAL | 0 | -0.014 | -0.001 | 41.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | ARG | 1 | 0.860 | 0.925 | 44.743 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | GLU | -1 | -0.878 | -0.953 | 47.632 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | VAL | 0 | -0.018 | -0.016 | 48.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | LEU | 0 | -0.012 | -0.006 | 50.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | SER | 0 | 0.055 | 0.036 | 52.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ASP | -1 | -0.834 | -0.896 | 51.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ARG | 1 | 0.895 | 0.938 | 46.410 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | GLU | -1 | -0.905 | -0.948 | 49.649 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | LEU | 0 | 0.004 | 0.006 | 45.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | HIS | 0 | 0.055 | 0.044 | 48.907 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | LEU | 0 | -0.030 | -0.013 | 42.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | SER | 0 | -0.014 | -0.008 | 43.783 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | TRP | 0 | 0.002 | -0.019 | 37.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | GLU | -1 | -0.820 | -0.891 | 33.989 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | VAL | 0 | 0.029 | 0.012 | 38.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | GLY | 0 | 0.008 | 0.003 | 36.867 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | LYS | 1 | 0.901 | 0.981 | 29.974 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | PRO | 0 | 0.014 | 0.007 | 33.825 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ARG | 1 | 0.934 | 0.961 | 35.963 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | PRO | 0 | 0.020 | 0.027 | 34.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | PRO | 0 | -0.018 | 0.001 | 36.186 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LEU | 0 | -0.010 | 0.002 | 38.894 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ASN | 0 | 0.003 | -0.009 | 39.142 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | ARG | 1 | 0.877 | 0.901 | 39.573 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.015 | 0.009 | 36.112 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | TYR | 0 | -0.008 | -0.003 | 33.558 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | VAL | 0 | -0.004 | 0.003 | 34.046 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | PHE | 0 | -0.017 | -0.020 | 33.718 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | THR | 0 | 0.047 | 0.029 | 32.525 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | GLY | 0 | 0.004 | -0.007 | 35.024 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | TYR | 0 | -0.027 | -0.019 | 30.955 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | ARG | 1 | 1.007 | 1.028 | 37.316 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | VAL | 0 | -0.003 | -0.024 | 37.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | THR | 0 | -0.078 | -0.046 | 36.988 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LYS | 1 | 0.986 | 0.979 | 39.211 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASN | 0 | 0.030 | 0.012 | 34.669 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | SER | 0 | 0.022 | 0.013 | 32.613 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LYS | 1 | 0.899 | 0.978 | 30.723 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | VAL | 0 | 0.022 | 0.022 | 33.860 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | GLN | 0 | 0.015 | -0.001 | 30.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | ILE | 0 | -0.008 | 0.006 | 35.402 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | GLY | 0 | 0.029 | 0.016 | 36.849 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.852 | -0.932 | 32.790 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | TYR | 0 | 0.005 | -0.011 | 37.028 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | THR | 0 | -0.012 | 0.012 | 38.253 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | PHE | 0 | -0.005 | -0.008 | 39.379 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.772 | -0.843 | 42.990 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.872 | 0.932 | 45.697 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | GLY | 0 | 0.012 | 0.008 | 48.183 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | NME | 0 | -0.011 | 0.018 | 51.747 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | ACE | 0 | -0.003 | -0.013 | 50.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ALA | 0 | 0.025 | 0.004 | 49.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | VAL | 0 | -0.068 | -0.029 | 44.768 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | VAL | 0 | 0.065 | 0.043 | 47.486 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | TYR | 0 | -0.041 | -0.020 | 44.415 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | ARG | 1 | 0.898 | 0.928 | 40.671 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | GLY | 0 | -0.012 | -0.002 | 41.679 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | THR | 0 | -0.059 | -0.035 | 38.125 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | THR | 0 | 0.051 | 0.037 | 40.700 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | THR | 0 | -0.021 | -0.014 | 42.876 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | TYR | 0 | 0.023 | 0.005 | 41.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | LYS | 1 | 0.828 | 0.903 | 45.858 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | LEU | 0 | -0.036 | -0.012 | 44.230 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | ASN | 0 | -0.022 | -0.018 | 44.048 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | VAL | 0 | 0.034 | -0.010 | 45.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | GLY | 0 | -0.027 | -0.010 | 43.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | ASP | -1 | -0.787 | -0.889 | 40.980 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | TYR | 0 | -0.026 | -0.012 | 33.754 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | PHE | 0 | -0.031 | -0.012 | 36.644 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | VAL | 0 | -0.020 | -0.020 | 30.549 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | LEU | 0 | 0.012 | 0.010 | 31.028 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | THR | 0 | 0.016 | 0.014 | 27.728 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | SER | 0 | -0.017 | -0.001 | 24.643 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | HIS | 0 | 0.003 | -0.004 | 22.179 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | 0.004 | 0.001 | 16.070 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | VAL | 0 | -0.012 | 0.007 | 16.546 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | MET | 0 | 0.044 | 0.023 | 13.280 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | PRO | 0 | 0.016 | 0.010 | 9.913 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | LEU | 0 | -0.084 | -0.007 | 12.797 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | SER | 0 | -0.035 | -0.014 | 12.903 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ALA | 0 | 0.034 | 0.034 | 14.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | PRO | 0 | 0.031 | 0.027 | 17.981 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | THR | 0 | -0.027 | -0.030 | 20.423 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | LEU | 0 | -0.025 | -0.006 | 23.201 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | VAL | 0 | 0.025 | 0.029 | 23.957 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | PRO | 0 | 0.022 | 0.003 | 24.114 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | GLN | 0 | 0.009 | -0.009 | 27.058 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLU | -1 | -0.804 | -0.849 | 29.308 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | HIS | 0 | 0.019 | 0.011 | 32.839 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | TYR | 0 | -0.077 | -0.058 | 32.499 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | VAL | 0 | 0.034 | 0.015 | 38.599 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | ARG | 1 | 0.956 | 0.973 | 41.065 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | ILE | 0 | -0.002 | 0.012 | 40.985 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | THR | 0 | -0.005 | 0.010 | 35.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | GLY | 0 | -0.024 | -0.003 | 37.223 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | LEU | 0 | 0.020 | 0.026 | 37.347 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | TYR | 0 | 0.007 | -0.005 | 40.614 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | PRO | 0 | 0.017 | 0.017 | 44.236 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | THR | 0 | 0.002 | 0.021 | 46.747 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | LEU | 0 | 0.014 | 0.012 | 49.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASN | 0 | -0.036 | -0.015 | 53.368 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | ILE | 0 | 0.011 | 0.011 | 49.576 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | SER | 0 | 0.056 | 0.026 | 53.115 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | ASP | -1 | -0.860 | -0.945 | 54.026 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | GLU | -1 | -0.784 | -0.869 | 52.800 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | PHE | 0 | -0.054 | -0.015 | 47.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | SER | 0 | 0.009 | 0.012 | 50.313 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | SER | 0 | -0.006 | -0.012 | 51.696 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ASN | 0 | -0.032 | -0.003 | 46.509 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 266 | VAL | 0 | 0.062 | 0.040 | 46.946 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 267 | ALA | 0 | 0.013 | 0.011 | 47.485 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 268 | ASN | 0 | 0.016 | -0.019 | 44.138 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 269 | TYR | 0 | 0.024 | 0.002 | 42.938 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 270 | GLN | 0 | 0.016 | 0.039 | 42.591 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | LYS | 1 | 0.901 | 0.948 | 40.651 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 272 | VAL | 0 | -0.026 | 0.000 | 37.629 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.043 | 0.025 | 38.018 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | MET | 0 | -0.054 | -0.029 | 39.397 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | GLN | 0 | 0.014 | 0.001 | 36.055 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | LYS | 1 | 0.773 | 0.918 | 28.420 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | TYR | 0 | -0.002 | -0.002 | 29.789 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | SER | 0 | 0.007 | 0.012 | 32.997 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | THR | 0 | -0.010 | -0.023 | 34.251 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | LEU | 0 | 0.016 | -0.001 | 36.735 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | GLN | 0 | 0.011 | 0.007 | 39.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | GLY | 0 | 0.003 | -0.018 | 41.157 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | PRO | 0 | -0.019 | 0.013 | 43.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | -0.010 | -0.006 | 45.281 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | GLY | 0 | 0.048 | 0.023 | 46.910 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | THR | 0 | -0.016 | 0.006 | 46.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLY | 0 | 0.021 | 0.022 | 47.342 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | LYS | 1 | 0.914 | 0.960 | 40.499 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | SER | 0 | 0.061 | 0.035 | 42.344 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | HIS | 0 | -0.030 | -0.014 | 43.401 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | PHE | 0 | 0.017 | 0.007 | 40.667 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | ALA | 0 | 0.048 | 0.016 | 39.675 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ILE | 0 | -0.022 | 0.003 | 41.291 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | GLY | 0 | 0.076 | 0.028 | 43.467 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | LEU | 0 | -0.046 | -0.015 | 38.868 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ALA | 0 | -0.006 | -0.005 | 41.455 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | LEU | 0 | 0.004 | 0.015 | 42.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 298 | TYR | 0 | -0.001 | 0.002 | 44.720 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 299 | TYR | 0 | -0.024 | -0.045 | 41.621 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 300 | PRO | 0 | 0.027 | 0.034 | 42.694 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | SER | 0 | 0.015 | 0.006 | 42.498 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | ALA | 0 | -0.061 | -0.014 | 38.509 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | ARG | 1 | 0.851 | 0.924 | 30.679 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | ILE | 0 | -0.041 | -0.020 | 35.355 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | 0.020 | 0.016 | 29.989 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | TYR | 0 | -0.038 | -0.033 | 33.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | THR | 0 | -0.002 | -0.022 | 29.135 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ALA | 0 | 0.021 | 0.000 | 31.433 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 309 | CYS | 0 | -0.080 | -0.025 | 28.883 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 310 | SER | 0 | 0.023 | 0.015 | 30.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 311 | HIS | 0 | 0.105 | 0.041 | 31.056 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 312 | ALA | 0 | 0.028 | 0.023 | 35.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | ALA | 0 | 0.025 | 0.024 | 35.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 314 | VAL | 0 | 0.035 | 0.014 | 32.993 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 315 | ASP | -1 | -0.750 | -0.875 | 36.316 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | ALA | 0 | -0.018 | -0.003 | 39.544 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.043 | -0.025 | 36.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | CYS | 0 | -0.035 | -0.007 | 38.642 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | GLU | -1 | -0.806 | -0.895 | 41.371 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | LYS | 1 | 0.836 | 0.944 | 43.938 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ALA | 0 | 0.027 | 0.001 | 42.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | LEU | 0 | -0.012 | 0.004 | 44.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | LYS | 1 | 0.880 | 0.956 | 46.528 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | TYR | 0 | -0.110 | -0.080 | 47.307 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | LEU | 0 | 0.027 | 0.018 | 42.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | PRO | 0 | 0.024 | 0.017 | 45.572 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | ILE | 0 | 0.075 | 0.036 | 44.773 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ASP | -1 | -0.876 | -0.940 | 43.820 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | LYS | 1 | 0.896 | 0.950 | 41.986 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | CYS | 0 | -0.040 | 0.000 | 39.738 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | SER | 0 | -0.051 | -0.045 | 36.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | ARG | 1 | 0.831 | 0.903 | 33.520 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | ILE | 0 | -0.032 | -0.025 | 29.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | ILE | 0 | 0.006 | -0.005 | 32.386 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | PRO | 0 | -0.023 | 0.000 | 27.767 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | ALA | 0 | 0.000 | -0.006 | 28.854 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 337 | NME | 0 | 0.003 | 0.008 | 27.388 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | ACE | 0 | -0.001 | -0.013 | 34.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | VAL | 0 | -0.031 | -0.028 | 33.429 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | GLU | -1 | -0.982 | -0.965 | 36.276 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | CYS | 0 | -0.061 | -0.039 | 37.097 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | PHE | 0 | 0.002 | 0.003 | 39.021 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.833 | -0.881 | 39.894 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | LYS | 1 | 0.851 | 0.947 | 42.323 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | PHE | 0 | -0.022 | -0.008 | 39.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | LYS | 1 | 0.849 | 0.919 | 38.858 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | VAL | 0 | 0.054 | 0.036 | 35.449 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | ASN | 0 | -0.050 | -0.032 | 32.131 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | SER | 0 | -0.012 | -0.004 | 32.919 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | THR | 0 | 0.047 | -0.002 | 28.780 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LEU | 0 | -0.013 | -0.019 | 31.706 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | GLU | -1 | -0.828 | -0.854 | 34.289 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | GLN | 0 | -0.055 | -0.032 | 36.066 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | TYR | 0 | -0.014 | -0.036 | 37.315 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | VAL | 0 | -0.001 | 0.001 | 31.860 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | PHE | 0 | 0.028 | 0.010 | 34.303 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | CYS | 0 | -0.006 | -0.002 | 28.940 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | 0.022 | 0.035 | 28.887 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | VAL | 0 | 0.036 | 0.009 | 24.523 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | ASN | 0 | -0.031 | -0.014 | 23.818 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | ALA | 0 | -0.004 | 0.005 | 24.115 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LEU | 0 | -0.008 | 0.007 | 24.847 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | PRO | 0 | 0.012 | 0.011 | 24.071 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | GLU | -1 | -0.895 | -0.936 | 19.879 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | THR | 0 | -0.012 | -0.003 | 23.369 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | THR | 0 | 0.030 | 0.018 | 26.083 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | ALA | 0 | -0.004 | 0.005 | 28.473 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | ASP | -1 | -0.770 | -0.861 | 31.811 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | ILE | 0 | -0.023 | -0.033 | 34.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | VAL | 0 | 0.035 | 0.037 | 29.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | VAL | 0 | -0.017 | -0.014 | 32.344 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | PHE | 0 | 0.004 | -0.016 | 27.208 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 374 | ASP | -1 | -0.753 | -0.835 | 32.641 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | GLU | -1 | -0.783 | -0.850 | 33.953 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 376 | ILE | 0 | 0.025 | 0.011 | 30.313 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 377 | SER | 0 | 0.038 | 0.017 | 32.391 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | MET | 0 | -0.039 | 0.009 | 33.009 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 379 | ALA | 0 | -0.011 | 0.017 | 28.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | THR | 0 | -0.018 | -0.004 | 25.110 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ASN | 0 | 0.039 | -0.029 | 22.785 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | TYR | 0 | -0.033 | -0.031 | 16.938 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | ASP | -1 | -0.775 | -0.854 | 21.437 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | LEU | 0 | -0.042 | 0.002 | 24.223 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | SER | 0 | 0.019 | 0.007 | 18.590 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | VAL | 0 | 0.008 | -0.004 | 19.435 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | VAL | 0 | -0.003 | 0.000 | 21.041 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | ASN | 0 | -0.049 | -0.019 | 22.128 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | ALA | 0 | 0.004 | 0.009 | 18.032 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | ARG | 1 | 0.809 | 0.917 | 19.390 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.051 | 0.025 | 22.128 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.846 | 0.934 | 21.094 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ALA | 0 | 0.018 | -0.001 | 25.881 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | LYS | 1 | 0.769 | 0.894 | 29.511 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | HIS | 1 | 0.803 | 0.894 | 32.258 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | TYR | 0 | 0.008 | 0.003 | 25.797 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | VAL | 0 | 0.007 | 0.000 | 32.058 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | TYR | 0 | 0.001 | -0.002 | 27.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | ILE | 0 | 0.016 | 0.008 | 34.197 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | GLY | 0 | 0.050 | 0.011 | 36.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | ASP | -1 | -0.703 | -0.825 | 38.038 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | PRO | 0 | 0.025 | 0.018 | 36.886 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | ALA | 0 | -0.006 | 0.009 | 38.242 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLN | 0 | -0.059 | -0.037 | 40.050 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LEU | 0 | 0.036 | 0.023 | 38.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | PRO | 0 | 0.005 | 0.022 | 33.226 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | ALA | 0 | 0.019 | 0.007 | 30.309 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | PRO | 0 | -0.017 | -0.017 | 32.279 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | ARG | 1 | 0.811 | 0.921 | 27.899 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | THR | 0 | -0.015 | -0.015 | 29.055 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | LEU | 0 | -0.023 | -0.008 | 25.400 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | -0.077 | -0.010 | 29.976 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | THR | 0 | -0.020 | -0.015 | 32.085 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | LYS | 1 | 0.833 | 0.923 | 32.360 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 415 | GLY | 0 | 0.057 | 0.021 | 34.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 416 | THR | 0 | -0.002 | -0.006 | 36.691 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 417 | LEU | 0 | 0.008 | 0.020 | 31.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 418 | GLU | -1 | -0.880 | -0.954 | 35.057 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | PRO | 0 | 0.027 | 0.006 | 34.824 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLU | -1 | -0.870 | -0.891 | 34.449 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | TYR | 0 | 0.005 | -0.014 | 30.795 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | PHE | 0 | -0.043 | 0.014 | 30.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | ASN | 0 | 0.078 | 0.022 | 27.918 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | SER | 0 | 0.011 | -0.015 | 25.414 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | VAL | 0 | 0.007 | 0.019 | 28.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | CYS | 0 | -0.059 | -0.027 | 31.340 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | ARG | 1 | 0.864 | 0.921 | 30.008 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | LEU | 0 | -0.009 | 0.012 | 31.035 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | MET | 0 | -0.047 | -0.024 | 33.990 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | LYS | 1 | 0.898 | 0.945 | 36.403 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | THR | 0 | -0.034 | -0.017 | 35.007 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | ILE | 0 | -0.007 | 0.006 | 35.347 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | GLY | 0 | 0.038 | 0.046 | 38.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | PRO | 0 | -0.049 | -0.027 | 38.703 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | ASP | -1 | -0.749 | -0.805 | 37.250 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 436 | MET | 0 | -0.060 | -0.005 | 39.389 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 437 | PHE | 0 | 0.009 | -0.002 | 42.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 438 | LEU | 0 | -0.053 | -0.002 | 44.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLY | 0 | 0.061 | 0.010 | 46.956 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | THR | 0 | 0.003 | 0.018 | 49.904 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | CYS | 0 | -0.037 | -0.004 | 50.747 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | ARG | 1 | 0.916 | 0.925 | 52.128 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | ARG | 1 | 0.831 | 0.919 | 47.360 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | CYS | 0 | -0.048 | -0.021 | 52.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | PRO | 0 | 0.064 | 0.059 | 55.141 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | ALA | 0 | 0.050 | 0.013 | 57.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | GLU | -1 | -0.753 | -0.852 | 58.002 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ILE | 0 | 0.007 | 0.009 | 53.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | VAL | 0 | -0.031 | -0.020 | 53.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | ASP | -1 | -0.750 | -0.837 | 53.718 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | THR | 0 | -0.060 | -0.020 | 53.112 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | VAL | 0 | 0.041 | 0.010 | 49.148 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | SER | 0 | -0.042 | -0.011 | 49.670 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | ALA | 0 | -0.018 | 0.002 | 50.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | LEU | 0 | -0.071 | -0.019 | 48.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | VAL | 0 | -0.006 | -0.011 | 44.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | TYR | 0 | -0.060 | -0.050 | 44.099 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ASP | -1 | -0.794 | -0.886 | 47.371 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | ASN | 0 | -0.015 | -0.009 | 49.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.899 | 0.959 | 45.264 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.058 | -0.013 | 49.107 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | LYS | 1 | 0.866 | 0.927 | 51.443 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ALA | 0 | 0.003 | -0.003 | 54.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | HIS | 0 | 0.036 | 0.033 | 56.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | LYS | 1 | 0.809 | 0.907 | 57.002 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | ASP | -1 | -0.691 | -0.792 | 60.009 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.818 | 0.904 | 61.258 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | SER | 0 | -0.034 | -0.027 | 61.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | ALA | 0 | -0.045 | -0.014 | 63.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLN | 0 | -0.002 | 0.016 | 62.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | CYS | 0 | -0.015 | 0.017 | 59.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | PHE | 0 | 0.041 | 0.018 | 60.796 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | LYS | 1 | 0.816 | 0.915 | 59.395 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | MET | 0 | 0.006 | 0.016 | 60.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | PHE | 0 | 0.006 | 0.005 | 57.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | TYR | 0 | 0.059 | 0.014 | 59.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | LYS | 1 | 0.866 | 0.921 | 56.390 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLY | 0 | 0.022 | 0.040 | 57.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | VAL | 0 | 0.023 | 0.011 | 57.852 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | ILE | 0 | 0.018 | 0.025 | 51.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | THR | 0 | -0.039 | 0.000 | 53.625 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | HIS | 0 | 0.039 | 0.015 | 48.408 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ASP | -1 | -0.752 | -0.848 | 46.652 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | VAL | 0 | -0.008 | -0.005 | 43.318 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | SER | 0 | -0.018 | -0.002 | 40.823 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | SER | 0 | -0.025 | -0.020 | 42.621 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | ALA | 0 | 0.026 | 0.033 | 45.457 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | ILE | 0 | -0.025 | -0.019 | 48.906 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASN | 0 | -0.001 | -0.031 | 52.330 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | ARG | 1 | 0.938 | 0.949 | 55.475 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | PRO | 0 | 0.012 | 0.011 | 58.352 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | GLN | 0 | 0.032 | 0.009 | 55.281 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | ILE | 0 | -0.024 | 0.000 | 54.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLY | 0 | -0.011 | -0.010 | 59.026 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | VAL | 0 | 0.050 | 0.028 | 61.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | VAL | 0 | -0.019 | -0.006 | 58.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.918 | 0.947 | 61.779 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | GLU | -1 | -0.812 | -0.901 | 63.983 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | PHE | 0 | -0.032 | -0.006 | 63.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | LEU | 0 | 0.017 | 0.000 | 61.174 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | THR | 0 | -0.091 | -0.039 | 65.590 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | ARG | 1 | 0.951 | 0.967 | 67.968 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | ASN | 0 | -0.046 | -0.007 | 66.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | PRO | 0 | 0.048 | 0.011 | 66.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ALA | 0 | 0.007 | 0.015 | 66.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | TRP | 0 | 0.003 | -0.012 | 59.545 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ARG | 1 | 0.953 | 0.987 | 61.527 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 508 | LYS | 1 | 0.912 | 0.980 | 60.424 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 509 | ALA | 0 | -0.008 | 0.009 | 57.892 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 510 | VAL | 0 | 0.017 | 0.014 | 51.230 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 511 | PHE | 0 | 0.003 | -0.004 | 52.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 512 | ILE | 0 | -0.007 | -0.021 | 48.254 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 513 | SER | 0 | -0.004 | -0.020 | 48.929 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 514 | PRO | 0 | -0.006 | -0.002 | 45.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 515 | TYR | 0 | -0.003 | 0.014 | 44.658 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 516 | ASN | 0 | 0.035 | 0.008 | 42.866 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 517 | SER | 0 | 0.010 | -0.027 | 46.269 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 518 | GLN | 0 | 0.059 | 0.038 | 48.656 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 519 | ASN | 0 | -0.007 | -0.001 | 47.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 520 | ALA | 0 | 0.014 | 0.018 | 49.539 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 521 | VAL | 0 | -0.036 | -0.025 | 51.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 522 | ALA | 0 | 0.017 | 0.005 | 54.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 523 | SER | 0 | 0.016 | 0.020 | 53.198 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 524 | LYS | 1 | 0.883 | 0.951 | 54.098 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 525 | ILE | 0 | -0.010 | -0.002 | 57.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 526 | LEU | 0 | -0.031 | -0.001 | 57.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 527 | GLY | 0 | -0.004 | 0.016 | 58.401 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 528 | LEU | 0 | -0.043 | -0.003 | 56.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 529 | PRO | 0 | 0.012 | 0.020 | 52.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 530 | THR | 0 | -0.034 | -0.025 | 50.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 531 | GLN | 0 | 0.007 | 0.022 | 45.756 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 532 | THR | 0 | 0.004 | 0.016 | 43.275 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 533 | VAL | 0 | 0.021 | -0.002 | 44.262 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 534 | ASP | -1 | -0.761 | -0.840 | 39.386 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 535 | SER | 0 | -0.024 | -0.008 | 40.753 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 536 | SER | 0 | -0.029 | -0.007 | 42.290 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 537 | GLN | 0 | 0.038 | 0.011 | 37.963 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 538 | GLY | 0 | 0.005 | 0.010 | 42.260 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 539 | SER | 0 | -0.038 | -0.020 | 43.455 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 540 | GLU | -1 | -0.851 | -0.910 | 46.769 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 541 | TYR | 0 | 0.062 | 0.016 | 48.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 542 | ASP | -1 | -0.792 | -0.827 | 53.677 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 543 | TYR | 0 | -0.012 | -0.021 | 57.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 544 | VAL | 0 | 0.003 | 0.007 | 52.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 545 | ILE | 0 | 0.025 | 0.009 | 55.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 546 | PHE | 0 | 0.045 | 0.008 | 49.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 547 | THR | 0 | 0.013 | 0.032 | 52.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 548 | GLN | 0 | 0.093 | 0.023 | 49.865 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 549 | THR | 0 | -0.042 | -0.021 | 50.269 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 550 | THR | 0 | 0.008 | -0.007 | 48.268 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 551 | GLU | -1 | -0.743 | -0.806 | 50.532 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 552 | THR | 0 | 0.035 | 0.027 | 45.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 553 | ALA | 0 | 0.123 | 0.055 | 42.706 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 554 | HIS | 0 | -0.019 | 0.007 | 41.115 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 555 | SER | 0 | -0.029 | -0.035 | 43.209 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 556 | CYS | 0 | -0.042 | 0.021 | 46.476 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 557 | ASN | 0 | 0.007 | 0.026 | 40.329 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 558 | VAL | 0 | 0.101 | 0.033 | 43.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 559 | ASN | 0 | -0.009 | 0.002 | 39.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 560 | ARG | 1 | 0.760 | 0.858 | 39.231 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 561 | PHE | 0 | 0.047 | 0.011 | 43.811 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 562 | ASN | 0 | 0.010 | -0.022 | 44.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 563 | VAL | 0 | -0.024 | 0.021 | 42.339 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 564 | ALA | 0 | -0.020 | -0.008 | 45.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 565 | ILE | 0 | 0.016 | -0.007 | 48.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 566 | THR | 0 | -0.027 | -0.030 | 47.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 567 | ARG | 1 | 0.822 | 0.908 | 45.312 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 568 | ALA | 0 | 0.027 | 0.016 | 50.342 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 569 | LYS | 1 | 0.877 | 0.933 | 53.836 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 570 | VAL | 0 | -0.039 | -0.011 | 56.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 571 | GLY | 0 | 0.050 | 0.028 | 59.051 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 572 | ILE | 0 | -0.017 | -0.015 | 53.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 573 | LEU | 0 | 0.026 | 0.033 | 57.896 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 574 | CYS | 0 | -0.055 | -0.014 | 55.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 575 | ILE | 0 | 0.003 | 0.010 | 56.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 576 | MET | 0 | -0.044 | -0.014 | 52.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 577 | SER | 0 | 0.038 | 0.006 | 53.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 578 | ASP | -1 | -0.708 | -0.809 | 51.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 579 | ARG | 1 | 0.830 | 0.901 | 54.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 580 | ASP | -1 | -0.747 | -0.816 | 51.432 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 581 | LEU | 0 | 0.008 | -0.007 | 48.875 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 582 | TYR | 0 | -0.002 | -0.001 | 53.445 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 583 | ASP | -1 | -0.786 | -0.864 | 56.992 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 584 | LYS | 1 | 0.844 | 0.917 | 50.757 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 585 | LEU | 0 | -0.023 | 0.010 | 54.397 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 586 | GLN | 0 | -0.027 | 0.002 | 56.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 587 | PHE | 0 | -0.016 | -0.032 | 55.396 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 588 | THR | 0 | 0.020 | 0.011 | 61.234 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 589 | SER | 0 | -0.022 | -0.019 | 64.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 590 | LEU | 0 | -0.021 | -0.019 | 64.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 591 | GLU | -1 | -0.863 | -0.926 | 66.186 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 592 | ILE | 0 | -0.139 | -0.087 | 64.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 593 | PRO | -1 | -0.937 | -0.954 | 67.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 802 | HOH | 0 | -0.026 | -0.037 | 14.490 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 803 | HOH | 0 | -0.039 | -0.026 | 44.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 804 | HOH | 0 | -0.002 | -0.008 | 48.974 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 805 | HOH | 0 | -0.006 | -0.028 | 30.408 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 806 | HOH | 0 | -0.016 | -0.018 | 55.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 807 | HOH | 0 | -0.003 | -0.021 | 53.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 808 | HOH | 0 | -0.027 | -0.029 | 40.916 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 809 | HOH | 0 | -0.020 | -0.040 | 42.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 810 | HOH | 0 | -0.052 | -0.048 | 46.144 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 811 | HOH | 0 | -0.036 | -0.029 | 44.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 812 | HOH | 0 | -0.010 | -0.008 | 23.759 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 813 | HOH | 0 | -0.023 | -0.025 | 58.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 814 | HOH | 0 | -0.007 | -0.028 | 43.825 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 815 | HOH | 0 | -0.025 | -0.039 | 27.640 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 816 | HOH | 0 | 0.000 | -0.003 | 27.891 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 817 | HOH | 0 | 0.016 | 0.001 | 61.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 818 | HOH | 0 | -0.010 | -0.012 | 44.480 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 819 | HOH | 0 | 0.019 | 0.005 | 16.993 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 820 | HOH | 0 | -0.014 | -0.010 | 35.621 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 821 | HOH | 0 | -0.020 | -0.025 | 35.380 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 822 | HOH | 0 | -0.013 | -0.016 | 36.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 824 | HOH | 0 | 0.017 | -0.008 | 26.463 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 825 | HOH | 0 | -0.017 | -0.020 | 27.859 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 826 | HOH | 0 | -0.016 | -0.025 | 44.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 827 | HOH | 0 | -0.006 | -0.015 | 20.931 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 828 | HOH | 0 | 0.008 | 0.004 | 9.040 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 829 | HOH | 0 | -0.040 | -0.039 | 48.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 830 | HOH | 0 | -0.008 | -0.015 | 39.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 831 | HOH | 0 | 0.014 | -0.007 | 32.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 832 | HOH | 0 | -0.026 | -0.020 | 21.800 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 834 | HOH | 0 | -0.045 | -0.037 | 36.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 835 | HOH | 0 | -0.018 | -0.036 | 27.830 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 836 | HOH | 0 | -0.010 | -0.013 | 17.524 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 837 | HOH | 0 | -0.033 | -0.034 | 58.768 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 838 | HOH | 0 | -0.014 | -0.021 | 53.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 840 | HOH | 0 | -0.010 | -0.013 | 36.368 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 841 | HOH | 0 | -0.033 | -0.028 | 24.097 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 842 | HOH | 0 | 0.018 | 0.009 | 55.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 843 | HOH | 0 | -0.007 | -0.019 | 26.318 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 844 | HOH | 0 | 0.023 | 0.009 | 57.677 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 845 | HOH | 0 | -0.049 | -0.030 | 66.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 846 | HOH | 0 | 0.010 | 0.007 | 65.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 847 | HOH | 0 | -0.015 | -0.013 | 67.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 849 | HOH | 0 | 0.031 | 0.002 | 30.620 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 850 | HOH | 0 | -0.008 | -0.016 | 38.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 851 | HOH | 0 | -0.005 | -0.009 | 38.573 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 852 | HOH | 0 | -0.021 | -0.029 | 17.391 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 853 | HOH | 0 | -0.043 | -0.033 | 48.804 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 854 | HOH | 0 | -0.025 | -0.016 | 43.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 855 | HOH | 0 | -0.017 | -0.017 | 25.290 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 856 | HOH | 0 | 0.007 | -0.002 | 61.588 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 857 | HOH | 0 | -0.007 | -0.012 | 27.681 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 860 | HOH | 0 | -0.014 | -0.010 | 24.335 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 861 | HOH | 0 | 0.000 | -0.008 | 59.710 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 863 | HOH | 0 | 0.015 | -0.030 | 1.734 | -14.057 | -27.676 | 24.158 | -7.684 | -2.855 | 0.015 |
645 | B | 864 | HOH | 0 | -0.006 | -0.013 | 16.115 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 866 | HOH | 0 | -0.047 | -0.034 | 38.951 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 868 | HOH | 0 | -0.022 | -0.013 | 35.420 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 870 | HOH | 0 | 0.013 | -0.006 | 12.201 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 873 | HOH | 0 | 0.005 | -0.012 | 35.363 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 875 | HOH | 0 | 0.012 | 0.004 | 42.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 876 | HOH | 0 | -0.010 | -0.017 | 55.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 877 | HOH | 0 | -0.008 | -0.011 | 31.997 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 878 | HOH | 0 | 0.036 | 0.018 | 45.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 881 | HOH | 0 | -0.036 | -0.038 | 28.162 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 882 | HOH | 0 | -0.046 | -0.039 | 20.780 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 883 | HOH | 0 | 0.014 | 0.005 | 45.229 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 884 | HOH | 0 | -0.029 | -0.022 | 2.014 | -2.555 | -3.541 | 5.743 | -2.535 | -2.221 | -0.022 |
658 | B | 885 | HOH | 0 | -0.007 | -0.002 | 40.984 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 886 | HOH | 0 | -0.014 | -0.021 | 43.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 887 | HOH | 0 | -0.004 | -0.001 | 41.621 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 888 | HOH | 0 | 0.033 | 0.021 | 66.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 889 | HOH | 0 | 0.008 | -0.001 | 27.972 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 890 | HOH | 0 | 0.023 | -0.003 | 40.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 891 | HOH | 0 | -0.017 | -0.028 | 38.153 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 892 | HOH | 0 | -0.006 | -0.016 | 48.537 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 894 | HOH | 0 | -0.002 | -0.013 | 37.278 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 895 | HOH | 0 | 0.004 | -0.009 | 55.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 896 | HOH | 0 | -0.033 | -0.033 | 63.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 897 | HOH | 0 | -0.033 | -0.021 | 50.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 899 | HOH | 0 | -0.022 | -0.016 | 49.630 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 901 | HOH | 0 | -0.013 | -0.008 | 39.376 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 903 | HOH | 0 | -0.013 | -0.019 | 56.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 904 | HOH | 0 | 0.001 | -0.009 | 32.429 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 905 | HOH | 0 | -0.011 | -0.022 | 15.522 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 906 | HOH | 0 | 0.044 | 0.023 | 22.989 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 907 | HOH | 0 | -0.023 | -0.014 | 18.795 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 910 | HOH | 0 | 0.002 | -0.008 | 36.104 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 911 | HOH | 0 | -0.023 | -0.022 | 45.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 912 | HOH | 0 | -0.032 | -0.024 | 45.338 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 913 | HOH | 0 | -0.056 | -0.042 | 41.397 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 914 | HOH | 0 | -0.014 | -0.032 | 63.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 915 | HOH | 0 | -0.012 | -0.021 | 46.914 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 916 | HOH | 0 | -0.007 | -0.011 | 24.199 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 917 | HOH | 0 | -0.039 | -0.031 | 61.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 919 | HOH | 0 | -0.030 | -0.025 | 49.788 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 920 | HOH | 0 | -0.014 | -0.022 | 47.683 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 921 | HOH | 0 | -0.004 | -0.001 | 43.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 923 | HOH | 0 | -0.043 | -0.043 | 30.875 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 924 | HOH | 0 | -0.021 | -0.030 | 59.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 926 | HOH | 0 | -0.017 | -0.019 | 34.188 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 927 | HOH | 0 | -0.019 | -0.008 | 52.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 928 | HOH | 0 | -0.003 | -0.017 | 39.196 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 929 | HOH | 0 | -0.006 | -0.003 | 54.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 930 | HOH | 0 | -0.034 | -0.016 | 25.519 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 931 | HOH | 0 | 0.035 | 0.021 | 19.150 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 932 | HOH | 0 | 0.022 | 0.018 | 34.084 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 933 | HOH | 0 | -0.002 | -0.022 | 26.370 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 934 | HOH | 0 | 0.005 | -0.006 | 47.034 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 935 | HOH | 0 | 0.027 | 0.005 | 21.631 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 936 | HOH | 0 | -0.055 | -0.038 | 65.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | B | 937 | HOH | 0 | -0.031 | -0.045 | 22.917 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 938 | HOH | 0 | 0.007 | -0.003 | 28.506 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 939 | HOH | 0 | -0.031 | -0.030 | 21.605 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 940 | HOH | 0 | -0.036 | -0.024 | 20.600 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 941 | HOH | 0 | -0.014 | -0.022 | 42.656 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 942 | HOH | 0 | -0.039 | -0.043 | 49.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 943 | HOH | 0 | -0.008 | -0.016 | 49.685 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 944 | HOH | 0 | 0.019 | 0.010 | 37.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 945 | HOH | 0 | -0.013 | -0.003 | 55.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 946 | HOH | 0 | 0.028 | 0.016 | 34.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | B | 947 | HOH | 0 | -0.028 | -0.030 | 61.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | B | 948 | HOH | 0 | 0.025 | 0.003 | 41.346 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | B | 949 | HOH | 0 | 0.007 | -0.002 | 34.781 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | B | 950 | HOH | 0 | 0.006 | 0.005 | 47.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | B | 951 | HOH | 0 | -0.029 | -0.035 | 55.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | B | 952 | HOH | 0 | -0.019 | -0.031 | 57.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | B | 953 | HOH | 0 | -0.041 | -0.029 | 40.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | B | 954 | HOH | 0 | -0.014 | 0.005 | 40.987 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | B | 955 | HOH | 0 | 0.020 | 0.009 | 45.459 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | B | 956 | HOH | 0 | -0.040 | -0.040 | 25.830 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | B | 957 | HOH | 0 | 0.013 | 0.004 | 40.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | B | 959 | HOH | 0 | -0.016 | -0.015 | 33.839 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | B | 960 | HOH | 0 | -0.005 | -0.022 | 55.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | B | 961 | HOH | 0 | -0.032 | -0.038 | 63.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | B | 962 | HOH | 0 | 0.016 | 0.005 | 20.106 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | B | 963 | HOH | 0 | -0.015 | -0.034 | 59.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | B | 964 | HOH | 0 | 0.007 | -0.005 | 15.584 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | B | 966 | HOH | 0 | -0.028 | -0.028 | 48.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | B | 967 | HOH | 0 | -0.059 | -0.059 | 54.733 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | B | 968 | HOH | 0 | -0.017 | -0.008 | 39.786 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | B | 969 | HOH | 0 | -0.041 | -0.038 | 50.461 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | B | 970 | HOH | 0 | 0.026 | 0.017 | 42.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | B | 971 | HOH | 0 | -0.002 | -0.008 | 19.372 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | B | 972 | HOH | 0 | -0.029 | -0.034 | 22.449 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | B | 975 | HOH | 0 | 0.013 | -0.003 | 28.680 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | B | 976 | HOH | 0 | -0.010 | -0.012 | 58.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | B | 977 | HOH | 0 | -0.053 | -0.048 | 51.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | B | 978 | HOH | 0 | 0.008 | -0.003 | 28.083 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | B | 979 | HOH | 0 | -0.012 | -0.016 | 55.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | B | 980 | HOH | 0 | -0.040 | -0.028 | 15.286 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | B | 981 | HOH | 0 | 0.002 | -0.003 | 12.330 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | B | 982 | HOH | 0 | 0.008 | 0.004 | 42.022 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | B | 983 | HOH | 0 | -0.030 | -0.029 | 49.995 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | B | 984 | HOH | 0 | 0.001 | -0.003 | 46.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | B | 985 | HOH | 0 | -0.017 | -0.023 | 43.321 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | B | 986 | HOH | 0 | -0.004 | -0.005 | 30.246 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | B | 987 | HOH | 0 | -0.042 | -0.047 | 65.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | B | 988 | HOH | 0 | 0.003 | -0.002 | 34.425 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | B | 989 | HOH | 0 | -0.017 | -0.012 | 22.120 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | B | 991 | HOH | 0 | -0.025 | -0.018 | 45.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | B | 992 | HOH | 0 | -0.015 | -0.021 | 21.377 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | B | 993 | HOH | 0 | 0.009 | -0.002 | 37.295 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | B | 994 | HOH | 0 | -0.014 | -0.017 | 23.695 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | B | 996 | HOH | 0 | -0.016 | -0.018 | 38.542 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | B | 997 | HOH | 0 | 0.031 | 0.023 | 64.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | B | 998 | HOH | 0 | -0.011 | -0.019 | 32.248 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | B | 999 | HOH | 0 | -0.004 | -0.008 | 52.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | B | 1000 | HOH | 0 | -0.040 | -0.027 | 48.077 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | B | 1001 | HOH | 0 | 0.030 | 0.012 | 42.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | B | 1003 | HOH | 0 | 0.007 | -0.029 | 23.307 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | B | 1004 | HOH | 0 | -0.050 | -0.030 | 44.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | B | 1005 | HOH | 0 | -0.017 | -0.015 | 55.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | B | 1006 | HOH | 0 | 0.013 | 0.017 | 21.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | B | 1008 | HOH | 0 | -0.011 | -0.019 | 46.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | B | 1009 | HOH | 0 | -0.006 | -0.006 | 16.540 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | B | 1010 | HOH | 0 | -0.025 | -0.026 | 22.380 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | B | 1011 | HOH | 0 | -0.028 | -0.037 | 23.382 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | B | 1012 | HOH | 0 | 0.035 | 0.019 | 45.693 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | B | 1013 | HOH | 0 | -0.021 | -0.017 | 47.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | B | 1015 | HOH | 0 | -0.020 | -0.016 | 54.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | B | 1016 | HOH | 0 | 0.013 | 0.004 | 45.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | B | 1017 | HOH | 0 | -0.008 | -0.007 | 22.717 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | B | 1018 | HOH | 0 | -0.030 | -0.033 | 39.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | B | 1021 | HOH | 0 | 0.002 | -0.010 | 39.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | B | 1022 | HOH | 0 | 0.021 | 0.008 | 43.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | B | 1023 | HOH | 0 | -0.034 | -0.019 | 61.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | B | 1024 | HOH | 0 | -0.035 | -0.030 | 45.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | B | 1026 | HOH | 0 | 0.021 | 0.010 | 36.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | B | 1027 | HOH | 0 | 0.003 | -0.002 | 40.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | B | 1028 | HOH | 0 | -0.041 | -0.036 | 25.505 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | B | 1029 | HOH | 0 | -0.010 | -0.021 | 21.020 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | B | 1030 | HOH | 0 | 0.008 | 0.002 | 66.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | B | 1031 | HOH | 0 | 0.000 | -0.010 | 40.065 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | B | 1033 | HOH | 0 | -0.007 | -0.010 | 41.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | B | 1034 | HOH | 0 | 0.060 | 0.037 | 40.143 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | B | 1035 | HOH | 0 | -0.028 | -0.026 | 45.992 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | B | 1036 | HOH | 0 | 0.007 | -0.002 | 23.174 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | B | 1037 | HOH | 0 | 0.009 | 0.011 | 53.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | B | 1038 | HOH | 0 | 0.000 | -0.009 | 48.845 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | B | 1039 | HOH | 0 | 0.014 | 0.002 | 23.511 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | B | 1041 | HOH | 0 | -0.003 | -0.005 | 44.667 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | B | 1043 | HOH | 0 | -0.022 | -0.022 | 57.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | B | 1046 | HOH | 0 | 0.057 | 0.034 | 58.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | B | 1047 | HOH | 0 | -0.019 | -0.020 | 54.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | B | 1048 | HOH | 0 | 0.020 | 0.013 | 58.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | B | 1049 | HOH | 0 | -0.026 | -0.023 | 21.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | B | 1051 | HOH | 0 | -0.022 | -0.018 | 23.167 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | B | 1052 | HOH | 0 | 0.029 | 0.024 | 34.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |