FMODB ID: 4N7RN
Calculation Name: 7CHB-HLR-Xray232
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 7CHB
Chain ID: HLR
Base Structure: X-ray
Registration Date: 2021-05-23
Reference: C. Watanabe, T. Honma et. al., Interaction energy analysis between SARS-CoV-2 spike protein and antibodiy, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | All crystal waters in PDB. |
Procedure | Auto-FMO protocol ver. 2.20210516 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 804 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -13603838.845534 |
---|---|
FMO2-HF: Nuclear repulsion | 13352583.091547 |
FMO2-HF: Total energy | -251255.753987 |
FMO2-MP2: Total energy | -251983.129179 |
3D Structure
Ligand structure
Ligand Interaction
SARS-CoV-2 spike protein and antibody binding energy (frag 426-615 : frag 1-425)
"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. |
-559.2922 | -527.8343 | 245.6781 | -117.0018 | -160.1342 | 0.0182 |
Interactive mode: IFIE and PIEDA for fragment #1(H:1:GLU )
Summations of interaction energy for
fragment #1(H:1:GLU )
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. |
-156.381 | -172.911 | 36.902 | -10.071 | -10.298 | 0.138 |
Interaction energy analysis for fragmet #1(H:1:GLU )
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 | H | 3 | GLN | 0 | -0.098 | -0.031 | 2.885 | -19.376 | -17.192 | 0.105 | -0.887 | -1.402 | 0.003 |
4 | H | 4 | LEU | 0 | -0.013 | -0.014 | 5.908 | 2.152 | 2.152 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | H | 5 | VAL | 0 | 0.044 | 0.025 | 8.256 | -2.101 | -2.101 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | H | 6 | GLU | -1 | -0.777 | -0.883 | 11.044 | 18.677 | 18.677 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | H | 7 | SER | 0 | -0.025 | -0.016 | 14.847 | -1.022 | -1.022 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | H | 8 | GLY | 0 | 0.035 | 0.012 | 17.802 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | H | 9 | GLY | 0 | 0.038 | 0.026 | 20.982 | -0.634 | -0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | H | 10 | GLY | 0 | 0.000 | -0.003 | 22.817 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | H | 11 | LEU | 0 | -0.014 | 0.007 | 25.865 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | H | 12 | ILE | 0 | -0.039 | -0.005 | 29.598 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | H | 13 | GLN | 0 | 0.049 | 0.037 | 31.869 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | H | 14 | PRO | 0 | 0.033 | 0.013 | 34.977 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | H | 15 | GLY | 0 | -0.019 | 0.003 | 36.456 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | H | 16 | GLY | 0 | 0.012 | 0.019 | 34.216 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | H | 17 | SER | 0 | 0.007 | -0.028 | 30.112 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | H | 18 | LEU | 0 | -0.043 | -0.006 | 25.328 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | H | 19 | ARG | 1 | 0.915 | 0.958 | 19.149 | -15.411 | -15.411 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | H | 20 | LEU | 0 | 0.011 | 0.044 | 19.844 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | H | 21 | SER | 0 | -0.010 | -0.025 | 16.192 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | H | 95 | CYS | 0 | -0.057 | -0.010 | 13.076 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | H | 23 | ALA | 0 | 0.013 | 0.032 | 10.098 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | H | 24 | ALA | 0 | 0.008 | -0.001 | 7.634 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | H | 25 | SER | 0 | -0.030 | -0.034 | 1.527 | -21.433 | -35.773 | 26.948 | -9.542 | -3.064 | 0.069 |
26 | H | 26 | GLY | 0 | 0.045 | 0.036 | 2.191 | -10.935 | -11.179 | 9.472 | -4.431 | -4.797 | 0.049 |
27 | H | 27 | ILE | 0 | -0.051 | -0.024 | 2.958 | -14.060 | -18.190 | 0.377 | 4.789 | -1.035 | 0.017 |
28 | H | 28 | THR | 0 | -0.006 | 0.006 | 6.822 | 1.916 | 1.916 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | H | 29 | VAL | 0 | 0.028 | 0.023 | 9.612 | -3.092 | -3.092 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | H | 30 | SER | 0 | -0.032 | -0.039 | 11.951 | -1.482 | -1.482 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | H | 31 | SER | 0 | -0.021 | -0.002 | 12.679 | -2.119 | -2.119 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | H | 32 | ASN | 0 | -0.014 | -0.010 | 10.970 | -0.751 | -0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | H | 33 | TYR | 0 | -0.047 | -0.026 | 14.845 | -1.099 | -1.099 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | H | 34 | MET | 0 | -0.052 | -0.011 | 12.086 | 1.935 | 1.935 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | H | 35 | SER | 0 | 0.014 | -0.014 | 16.622 | -1.503 | -1.503 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | H | 36 | TRP | 0 | 0.002 | 0.002 | 17.552 | 1.075 | 1.075 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | H | 37 | VAL | 0 | -0.014 | -0.010 | 20.050 | -0.820 | -0.820 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | H | 38 | ARG | 1 | 0.762 | 0.871 | 21.253 | -10.788 | -10.788 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | H | 39 | GLN | 0 | -0.016 | -0.006 | 22.443 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | H | 40 | ALA | 0 | 0.042 | 0.029 | 24.876 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | H | 41 | PRO | 0 | 0.010 | -0.013 | 27.836 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | H | 42 | GLY | 0 | 0.032 | 0.036 | 28.201 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | H | 43 | LYS | 1 | 0.854 | 0.931 | 28.421 | -9.651 | -9.651 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | H | 44 | GLY | 0 | 0.115 | 0.065 | 26.658 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | H | 45 | LEU | 0 | -0.022 | 0.002 | 21.630 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | H | 46 | GLU | -1 | -0.762 | -0.844 | 25.175 | 10.539 | 10.539 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | H | 47 | TRP | 0 | 0.032 | 0.006 | 22.618 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | H | 48 | VAL | 0 | 0.014 | 0.001 | 23.915 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | H | 49 | SER | 0 | -0.015 | -0.024 | 23.217 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | H | 50 | VAL | 0 | -0.021 | 0.008 | 20.354 | 0.669 | 0.669 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | H | 51 | ILE | 0 | -0.013 | -0.002 | 18.227 | -0.727 | -0.727 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | H | 52 | TYR | 0 | 0.014 | 0.007 | 19.208 | 0.881 | 0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | H | 53 | SER | 0 | 0.014 | 0.009 | 17.705 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | H | 54 | GLY | 0 | 0.044 | 0.023 | 18.909 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | H | 55 | GLY | 0 | 0.001 | 0.006 | 21.811 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | H | 56 | SER | 0 | -0.005 | -0.021 | 22.786 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | H | 57 | THR | 0 | -0.050 | -0.009 | 23.228 | 0.582 | 0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | H | 58 | ASP | -1 | -0.826 | -0.900 | 25.235 | 10.545 | 10.545 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | H | 59 | TYR | 0 | -0.067 | -0.039 | 25.775 | 0.706 | 0.706 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | H | 60 | ALA | 0 | 0.051 | 0.036 | 28.014 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | H | 61 | ASP | -1 | -0.762 | -0.862 | 29.922 | 9.633 | 9.633 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | H | 62 | SER | 0 | -0.069 | -0.034 | 32.357 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | H | 63 | VAL | 0 | 0.000 | -0.009 | 27.809 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | H | 64 | LYS | 1 | 0.866 | 0.930 | 31.041 | -10.057 | -10.057 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | H | 65 | GLY | 0 | 0.014 | 0.018 | 32.340 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | H | 66 | ARG | 1 | 0.722 | 0.852 | 31.846 | -10.134 | -10.134 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | H | 67 | PHE | 0 | -0.013 | -0.003 | 26.397 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | H | 68 | THR | 0 | 0.014 | 0.007 | 25.814 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | H | 69 | ILE | 0 | 0.002 | 0.017 | 19.582 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | H | 70 | SER | 0 | -0.011 | -0.022 | 20.670 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | H | 71 | ARG | 1 | 0.832 | 0.910 | 16.102 | -16.537 | -16.537 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | H | 72 | ASP | -1 | -0.730 | -0.801 | 15.582 | 17.363 | 17.363 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | H | 73 | LYS | 1 | 0.941 | 0.960 | 13.973 | -18.941 | -18.941 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | H | 74 | SER | 0 | -0.084 | -0.056 | 13.518 | 1.022 | 1.022 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | H | 75 | LYS | 1 | 0.859 | 0.909 | 12.499 | -17.639 | -17.639 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | H | 76 | ASN | 0 | 0.000 | 0.029 | 6.984 | -2.661 | -2.661 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | H | 77 | THR | 0 | 0.008 | -0.006 | 9.920 | 2.150 | 2.150 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | H | 78 | LEU | 0 | -0.008 | 0.006 | 12.645 | -1.283 | -1.283 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | H | 79 | TYR | 0 | -0.062 | -0.062 | 15.287 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | H | 80 | LEU | 0 | 0.024 | 0.010 | 18.680 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | H | 81 | GLN | 0 | -0.015 | 0.000 | 21.859 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | H | 82 | MET | 0 | -0.028 | -0.009 | 25.074 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | H | 83 | ASN | 0 | 0.065 | 0.050 | 27.797 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | H | 84 | SER | 0 | 0.007 | -0.015 | 31.522 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | H | 85 | LEU | 0 | -0.014 | 0.016 | 29.076 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | H | 86 | ARG | 1 | 0.904 | 0.940 | 33.248 | -9.358 | -9.358 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | H | 87 | ALA | 0 | 0.055 | 0.028 | 33.351 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | H | 88 | GLU | -1 | -0.775 | -0.866 | 33.213 | 9.061 | 9.061 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | H | 89 | ASP | -1 | -0.759 | -0.821 | 29.617 | 10.491 | 10.491 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | H | 90 | THR | 0 | -0.015 | 0.001 | 28.449 | 0.506 | 0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | H | 91 | ALA | 0 | 0.010 | 0.001 | 25.474 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | H | 92 | VAL | 0 | -0.024 | 0.008 | 19.838 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | H | 93 | TYR | 0 | -0.037 | -0.041 | 21.111 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | H | 94 | TYR | 0 | 0.017 | -0.008 | 15.673 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | H | 96 | ALA | 0 | 0.029 | -0.006 | 14.377 | 0.835 | 0.835 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | H | 97 | ARG | 1 | 0.770 | 0.853 | 9.996 | -29.999 | -29.999 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | H | 98 | ASP | -1 | -0.790 | -0.888 | 13.668 | 15.999 | 15.999 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | H | 99 | LEU | 0 | 0.008 | 0.025 | 13.632 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | H | 100 | GLY | 0 | 0.022 | 0.014 | 17.420 | -0.808 | -0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | H | 101 | GLU | -1 | -0.765 | -0.874 | 21.068 | 13.519 | 13.519 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | H | 102 | ALA | 0 | 0.033 | 0.042 | 18.730 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | H | 103 | GLY | 0 | 0.012 | -0.007 | 17.369 | 0.955 | 0.955 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | H | 104 | GLY | 0 | 0.022 | 0.015 | 17.176 | -1.169 | -1.169 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | H | 105 | MET | 0 | -0.044 | -0.015 | 16.625 | 0.737 | 0.737 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | H | 106 | ASP | -1 | -0.696 | -0.799 | 11.955 | 26.897 | 26.897 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | H | 107 | VAL | 0 | -0.009 | 0.019 | 8.352 | 0.713 | 0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | H | 108 | TRP | 0 | 0.016 | -0.013 | 10.884 | -1.595 | -1.595 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | H | 109 | GLY | 0 | 0.052 | 0.039 | 10.536 | 2.180 | 2.180 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | H | 110 | GLN | 0 | -0.009 | -0.009 | 11.487 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | H | 111 | GLY | 0 | 0.040 | 0.031 | 13.014 | -1.250 | -1.250 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | H | 112 | THR | 0 | -0.072 | -0.042 | 16.703 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | H | 113 | THR | 0 | 0.025 | 0.016 | 19.199 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | H | 114 | VAL | 0 | -0.017 | 0.013 | 22.747 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | H | 115 | THR | 0 | 0.002 | -0.005 | 25.894 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | H | 116 | VAL | 0 | 0.020 | 0.013 | 29.438 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | H | 117 | SER | 0 | -0.008 | -0.014 | 32.504 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | H | 118 | SER | 0 | 0.024 | 0.011 | 35.790 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | H | 119 | ALA | 0 | -0.040 | -0.003 | 37.351 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | H | 120 | SER | 0 | 0.011 | -0.002 | 37.429 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | H | 121 | THR | 0 | -0.023 | -0.021 | 35.099 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | H | 122 | LYS | 1 | 0.823 | 0.913 | 37.401 | -7.431 | -7.431 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | H | 123 | GLY | 0 | 0.057 | 0.037 | 38.096 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | H | 124 | PRO | 0 | -0.059 | -0.022 | 37.443 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | H | 125 | SER | 0 | 0.013 | 0.012 | 40.163 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | H | 126 | VAL | 0 | 0.000 | -0.004 | 41.262 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | H | 127 | PHE | 0 | 0.008 | -0.007 | 43.923 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | H | 128 | PRO | 0 | 0.003 | 0.015 | 45.779 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | H | 129 | LEU | 0 | -0.046 | -0.020 | 44.005 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | H | 130 | ALA | 0 | 0.036 | 0.008 | 47.804 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | H | 131 | PRO | 0 | 0.015 | 0.016 | 49.995 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | H | 132 | SER | 0 | -0.033 | -0.024 | 51.367 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | H | 133 | SER | 0 | 0.007 | 0.009 | 54.099 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | H | 134 | LYS | 1 | 0.886 | 0.932 | 56.867 | -5.147 | -5.147 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | H | 135 | SER | 0 | 0.036 | 0.026 | 53.431 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | H | 136 | THR | 0 | -0.005 | -0.006 | 56.040 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | H | 137 | SER | 0 | 0.061 | 0.033 | 56.379 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | H | 138 | GLY | 0 | 0.028 | 0.024 | 55.849 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | H | 139 | GLY | 0 | 0.017 | 0.022 | 52.944 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | H | 140 | THR | 0 | -0.013 | 0.000 | 47.124 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | H | 141 | ALA | 0 | 0.004 | 0.017 | 49.389 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | H | 142 | ALA | 0 | 0.009 | 0.002 | 45.898 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | H | 143 | LEU | 0 | -0.008 | 0.003 | 44.927 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | H | 144 | GLY | 0 | 0.040 | -0.001 | 43.380 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | H | 201 | CYS | 0 | -0.062 | 0.016 | 40.339 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | H | 146 | LEU | 0 | 0.034 | 0.039 | 41.418 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | H | 147 | VAL | 0 | -0.035 | -0.025 | 37.860 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | H | 148 | LYS | 1 | 0.834 | 0.891 | 39.476 | -6.672 | -6.672 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | H | 149 | ASP | -1 | -0.773 | -0.866 | 41.250 | 6.964 | 6.964 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | H | 150 | TYR | 0 | 0.024 | 0.027 | 33.673 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | H | 151 | PHE | 0 | 0.034 | 0.019 | 33.798 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | H | 152 | PRO | 0 | 0.047 | 0.036 | 30.898 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | H | 153 | GLU | -1 | -0.717 | -0.800 | 29.518 | 9.560 | 9.560 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | H | 154 | PRO | 0 | -0.002 | 0.002 | 26.781 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | H | 155 | VAL | 0 | 0.001 | -0.004 | 29.764 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | H | 156 | THR | 0 | -0.063 | -0.023 | 29.052 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | H | 157 | VAL | 0 | 0.022 | -0.006 | 32.015 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | H | 158 | SER | 0 | -0.017 | 0.006 | 33.899 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | H | 159 | TRP | 0 | 0.019 | 0.000 | 35.823 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | H | 160 | ASN | 0 | -0.011 | -0.016 | 38.881 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | H | 161 | SER | 0 | 0.014 | 0.003 | 38.298 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | H | 162 | GLY | 0 | 0.005 | 0.011 | 35.573 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | H | 163 | ALA | 0 | -0.027 | -0.009 | 36.233 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | H | 164 | LEU | 0 | -0.011 | 0.009 | 38.681 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | H | 165 | THR | 0 | 0.030 | 0.008 | 33.987 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | H | 166 | SER | 0 | 0.010 | 0.002 | 36.594 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | H | 167 | GLY | 0 | 0.039 | 0.018 | 38.492 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | H | 168 | VAL | 0 | -0.048 | -0.014 | 36.328 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | H | 169 | HIS | 0 | -0.030 | -0.008 | 35.824 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | H | 170 | THR | 0 | -0.010 | -0.025 | 33.555 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | H | 171 | PHE | 0 | -0.044 | 0.001 | 33.654 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | H | 172 | PRO | 0 | 0.045 | 0.033 | 30.681 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | H | 173 | ALA | 0 | 0.000 | 0.010 | 32.313 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | H | 174 | VAL | 0 | -0.026 | -0.003 | 34.105 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | H | 175 | LEU | 0 | -0.022 | -0.004 | 35.061 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | H | 176 | GLN | 0 | -0.040 | -0.027 | 37.208 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | H | 177 | SER | 0 | 0.014 | -0.003 | 40.770 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | H | 178 | SER | 0 | -0.006 | -0.002 | 42.970 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | H | 179 | GLY | 0 | 0.042 | 0.027 | 39.362 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | H | 180 | LEU | 0 | -0.021 | 0.008 | 38.161 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | H | 181 | TYR | 0 | 0.006 | -0.007 | 31.553 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | H | 182 | SER | 0 | -0.019 | -0.011 | 37.246 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | H | 183 | LEU | 0 | 0.016 | 0.019 | 33.959 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | H | 184 | SER | 0 | 0.033 | 0.003 | 37.785 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | H | 185 | SER | 0 | -0.013 | -0.001 | 36.927 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | H | 186 | VAL | 0 | 0.021 | -0.009 | 38.818 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | H | 187 | VAL | 0 | 0.026 | 0.016 | 39.906 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | H | 188 | THR | 0 | 0.000 | 0.012 | 42.122 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | H | 189 | VAL | 0 | -0.002 | 0.004 | 44.052 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | H | 190 | PRO | 0 | 0.042 | 0.016 | 46.782 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | H | 191 | SER | 0 | 0.025 | -0.015 | 50.094 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | H | 192 | SER | 0 | 0.002 | -0.010 | 53.146 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | H | 193 | SER | 0 | 0.019 | 0.004 | 49.726 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | H | 194 | LEU | 0 | -0.013 | 0.004 | 50.360 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | H | 195 | GLY | 0 | -0.005 | 0.011 | 52.613 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | H | 196 | THR | 0 | -0.035 | -0.013 | 53.389 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 197 | GLN | 0 | -0.046 | -0.015 | 47.008 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 198 | THR | 0 | 0.010 | 0.019 | 47.626 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 199 | TYR | 0 | 0.022 | 0.007 | 44.787 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 200 | ILE | 0 | 0.030 | 0.005 | 43.030 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 202 | ASN | 0 | 0.012 | -0.011 | 37.469 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 203 | VAL | 0 | 0.018 | 0.015 | 36.876 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 204 | ASN | 0 | -0.027 | -0.015 | 32.038 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 205 | HIS | 0 | 0.023 | 0.012 | 33.235 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 206 | LYS | 1 | 1.003 | 0.988 | 26.441 | -10.624 | -10.624 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 207 | PRO | 0 | -0.014 | -0.001 | 30.072 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 208 | SER | 0 | 0.003 | -0.017 | 32.181 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 209 | ASN | 0 | -0.058 | -0.023 | 34.409 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 210 | THR | 0 | 0.024 | 0.025 | 35.754 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 211 | LYS | 1 | 0.900 | 0.928 | 35.154 | -8.047 | -8.047 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 212 | VAL | 0 | -0.003 | 0.003 | 38.824 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 213 | ASP | -1 | -0.820 | -0.877 | 41.023 | 7.335 | 7.335 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 214 | LYS | 1 | 0.817 | 0.874 | 42.837 | -6.447 | -6.447 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 215 | LYS | 1 | 0.875 | 0.922 | 45.181 | -5.795 | -5.795 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 216 | VAL | 0 | -0.018 | 0.001 | 45.588 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 217 | GLU | -1 | -0.868 | -0.905 | 48.585 | 5.660 | 5.660 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | H | 218 | PRO | 0 | 0.030 | 0.026 | 51.938 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | L | 2 | ILE | 0 | -0.033 | -0.023 | 32.875 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | L | 3 | GLN | 0 | 0.053 | 0.049 | 34.298 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | L | 4 | LEU | 0 | -0.042 | -0.011 | 29.285 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | L | 5 | THR | 0 | 0.021 | 0.004 | 33.102 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | L | 6 | GLN | 0 | -0.017 | -0.023 | 27.901 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | L | 7 | SER | 0 | -0.016 | 0.013 | 32.968 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | L | 8 | PRO | 0 | 0.031 | 0.016 | 33.612 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | L | 9 | SER | 0 | 0.058 | 0.009 | 33.195 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | L | 10 | SER | 0 | -0.068 | -0.032 | 32.214 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | L | 11 | LEU | 0 | 0.016 | 0.011 | 31.401 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | L | 12 | SER | 0 | -0.006 | 0.004 | 32.634 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | L | 13 | ALA | 0 | -0.022 | -0.013 | 31.591 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | L | 14 | SER | 0 | 0.006 | -0.039 | 32.831 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | L | 15 | VAL | 0 | -0.017 | -0.012 | 28.820 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | L | 16 | GLY | 0 | 0.030 | 0.019 | 30.560 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | L | 17 | ASP | -1 | -0.769 | -0.843 | 32.311 | 8.258 | 8.258 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | L | 18 | ARG | 1 | 0.893 | 0.952 | 31.636 | -8.608 | -8.608 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | L | 19 | VAL | 0 | 0.019 | 0.017 | 29.556 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | L | 20 | THR | 0 | -0.052 | -0.045 | 31.186 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | L | 21 | ILE | 0 | 0.005 | 0.017 | 28.000 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | L | 22 | THR | 0 | 0.005 | 0.005 | 31.445 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | L | 88 | CYS | 0 | -0.047 | -0.010 | 24.221 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | L | 24 | ARG | 1 | 0.911 | 0.971 | 32.439 | -8.297 | -8.297 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | L | 25 | ALA | 0 | 0.052 | 0.038 | 34.386 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | L | 26 | SER | 0 | -0.030 | -0.041 | 35.825 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | L | 27 | GLN | 0 | 0.005 | 0.027 | 38.039 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | L | 28 | GLY | 0 | 0.078 | 0.044 | 37.038 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | L | 29 | ILE | 0 | -0.026 | -0.004 | 30.640 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | L | 30 | SER | 0 | -0.019 | 0.008 | 31.836 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | L | 31 | SER | 0 | 0.082 | 0.040 | 29.328 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | L | 32 | TYR | 0 | -0.017 | -0.003 | 26.866 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | L | 33 | LEU | 0 | -0.032 | -0.007 | 26.998 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | L | 34 | ALA | 0 | 0.012 | 0.011 | 21.934 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | L | 35 | TRP | 0 | 0.003 | -0.014 | 22.582 | -0.558 | -0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | L | 36 | TYR | 0 | 0.005 | -0.012 | 17.677 | 0.992 | 0.992 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | L | 37 | GLN | 0 | 0.006 | -0.002 | 18.863 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | L | 38 | GLN | 0 | 0.013 | 0.020 | 18.415 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | L | 39 | LYS | 1 | 0.878 | 0.944 | 18.200 | -14.884 | -14.884 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | L | 40 | PRO | 0 | 0.028 | 0.000 | 19.906 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | L | 41 | GLY | 0 | 0.005 | 0.005 | 20.015 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | L | 42 | LYS | 1 | 0.865 | 0.954 | 15.160 | -13.957 | -13.957 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | L | 43 | ALA | 0 | 0.125 | 0.071 | 13.745 | -0.759 | -0.759 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | L | 44 | PRO | 0 | -0.051 | -0.020 | 15.871 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | L | 45 | LYS | 1 | 0.891 | 0.967 | 13.226 | -17.905 | -17.905 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | L | 46 | LEU | 0 | 0.002 | 0.007 | 15.179 | -1.180 | -1.180 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | L | 47 | LEU | 0 | -0.051 | -0.019 | 16.415 | 0.601 | 0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | L | 48 | ILE | 0 | 0.010 | 0.004 | 19.163 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | L | 49 | TYR | 0 | 0.061 | 0.039 | 18.123 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | L | 50 | ALA | 0 | 0.029 | 0.022 | 22.660 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | L | 51 | ALA | 0 | 0.017 | 0.019 | 25.343 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | L | 52 | SER | 0 | 0.012 | 0.023 | 26.539 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | L | 53 | THR | 0 | 0.023 | 0.031 | 20.922 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | L | 54 | LEU | 0 | -0.023 | -0.004 | 19.946 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | L | 55 | GLN | 0 | 0.031 | 0.023 | 13.178 | -0.622 | -0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | L | 56 | SER | 0 | 0.003 | -0.001 | 13.228 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | L | 57 | GLY | 0 | 0.040 | 0.027 | 13.316 | 1.548 | 1.548 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | L | 58 | VAL | 0 | -0.040 | -0.015 | 14.358 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | L | 59 | PRO | 0 | 0.023 | 0.010 | 17.399 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | L | 60 | SER | 0 | 0.061 | 0.029 | 20.372 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | L | 61 | ARG | 1 | 0.776 | 0.850 | 21.644 | -12.695 | -12.695 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | L | 62 | PHE | 0 | -0.014 | 0.009 | 21.198 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | L | 63 | SER | 0 | 0.051 | 0.033 | 24.429 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | L | 64 | GLY | 0 | -0.011 | 0.007 | 26.455 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | L | 65 | SER | 0 | 0.018 | 0.004 | 27.690 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | L | 66 | GLY | 0 | 0.046 | 0.030 | 31.101 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | L | 67 | SER | 0 | -0.021 | -0.030 | 32.314 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | L | 68 | GLY | 0 | -0.012 | 0.010 | 34.415 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | L | 69 | THR | 0 | 0.011 | -0.027 | 35.625 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | L | 70 | ASP | -1 | -0.855 | -0.895 | 36.062 | 8.365 | 8.365 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | L | 71 | PHE | 0 | -0.012 | 0.017 | 30.705 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | L | 72 | THR | 0 | -0.013 | -0.024 | 31.586 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | L | 73 | LEU | 0 | -0.007 | 0.030 | 24.721 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | L | 74 | THR | 0 | -0.033 | -0.030 | 28.193 | -0.565 | -0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | L | 75 | ILE | 0 | 0.017 | 0.006 | 25.482 | 0.459 | 0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | L | 76 | SER | 0 | -0.026 | -0.016 | 27.965 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | L | 77 | SER | 0 | -0.016 | -0.018 | 28.806 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | L | 78 | LEU | 0 | -0.031 | 0.007 | 26.868 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | L | 79 | GLN | 0 | 0.016 | -0.011 | 24.178 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | L | 80 | PRO | 0 | 0.043 | 0.011 | 24.733 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | L | 81 | GLU | -1 | -0.791 | -0.854 | 19.446 | 12.711 | 12.711 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | L | 82 | ASP | -1 | -0.741 | -0.798 | 21.219 | 12.936 | 12.936 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | L | 83 | PHE | 0 | -0.021 | 0.013 | 23.593 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | L | 84 | ALA | 0 | -0.012 | -0.007 | 22.130 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | L | 85 | THR | 0 | 0.003 | 0.009 | 23.480 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | L | 86 | TYR | 0 | -0.025 | -0.024 | 22.668 | 0.871 | 0.871 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | L | 87 | TYR | 0 | -0.006 | -0.009 | 22.863 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | L | 89 | GLN | 0 | 0.030 | 0.017 | 21.846 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | L | 90 | GLN | 0 | 0.065 | 0.046 | 25.692 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | L | 91 | LEU | 0 | -0.032 | 0.000 | 22.250 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | L | 92 | ASN | 0 | 0.013 | 0.005 | 24.976 | -0.446 | -0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | L | 93 | SER | 0 | -0.053 | -0.041 | 26.535 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | L | 94 | TYR | 0 | -0.033 | -0.026 | 21.042 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | L | 95 | PRO | 0 | 0.058 | 0.027 | 27.814 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | L | 96 | PRO | 0 | -0.047 | 0.021 | 24.661 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | L | 97 | ALA | 0 | 0.025 | 0.012 | 27.870 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | L | 98 | PHE | 0 | 0.020 | -0.005 | 22.034 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | L | 99 | GLY | 0 | 0.014 | 0.009 | 27.692 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | L | 100 | GLY | 0 | -0.027 | -0.005 | 28.719 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | L | 101 | GLY | 0 | 0.022 | 0.011 | 28.111 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | L | 102 | THR | 0 | -0.027 | -0.025 | 28.075 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | L | 103 | LYS | 1 | 0.776 | 0.909 | 27.878 | -9.172 | -9.172 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | L | 104 | VAL | 0 | 0.002 | 0.003 | 27.185 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | L | 105 | GLU | -1 | -0.799 | -0.858 | 28.282 | 9.231 | 9.231 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | L | 106 | ILE | 0 | 0.034 | 0.012 | 29.310 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | L | 107 | LYS | 1 | 0.863 | 0.936 | 32.424 | -8.177 | -8.177 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | L | 108 | ARG | 1 | 0.805 | 0.888 | 35.900 | -7.407 | -7.407 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | L | 109 | THR | 0 | 0.018 | 0.005 | 38.675 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | L | 110 | VAL | 0 | 0.008 | 0.015 | 41.809 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | L | 111 | ALA | 0 | -0.018 | -0.008 | 42.572 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | L | 112 | ALA | 0 | 0.036 | 0.021 | 44.313 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | L | 113 | PRO | 0 | -0.003 | 0.013 | 44.552 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | L | 114 | SER | 0 | -0.003 | -0.006 | 45.703 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | L | 115 | VAL | 0 | 0.009 | 0.008 | 46.698 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | L | 116 | PHE | 0 | -0.026 | -0.009 | 46.985 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | L | 117 | ILE | 0 | -0.027 | -0.012 | 48.716 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | L | 118 | PHE | 0 | 0.028 | 0.023 | 46.205 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | L | 119 | PRO | 0 | 0.021 | 0.017 | 50.895 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | L | 120 | PRO | 0 | 0.003 | 0.021 | 51.000 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | L | 121 | SER | 0 | 0.047 | 0.017 | 50.194 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | L | 122 | ASP | -1 | -0.771 | -0.902 | 52.469 | 5.317 | 5.317 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | L | 123 | GLU | -1 | -0.799 | -0.856 | 50.304 | 6.068 | 6.068 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | L | 124 | GLN | 0 | 0.036 | 0.036 | 48.054 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | L | 125 | LEU | 0 | 0.016 | 0.031 | 51.654 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | L | 126 | LYS | 1 | 0.786 | 0.874 | 54.787 | -5.444 | -5.444 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | L | 127 | SER | 0 | -0.037 | -0.029 | 51.251 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | L | 128 | GLY | 0 | 0.010 | 0.011 | 53.258 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | L | 129 | THR | 0 | -0.023 | -0.004 | 48.720 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | L | 130 | ALA | 0 | -0.022 | -0.019 | 51.968 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | L | 131 | SER | 0 | 0.014 | -0.002 | 46.696 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | L | 132 | VAL | 0 | -0.030 | 0.001 | 49.106 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | L | 133 | VAL | 0 | 0.041 | 0.028 | 44.648 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | L | 194 | CYS | 0 | -0.073 | -0.030 | 46.314 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | L | 135 | LEU | 0 | -0.023 | 0.001 | 42.004 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | L | 136 | LEU | 0 | 0.029 | 0.013 | 43.276 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | L | 137 | ASN | 0 | -0.029 | -0.038 | 41.298 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | L | 138 | ASN | 0 | 0.033 | 0.019 | 39.568 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | L | 139 | PHE | 0 | -0.004 | 0.014 | 40.155 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | L | 140 | TYR | 0 | 0.029 | -0.005 | 36.062 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | L | 141 | PRO | 0 | 0.018 | 0.022 | 39.303 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | L | 142 | ARG | 1 | 0.937 | 0.948 | 36.206 | -7.973 | -7.973 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | L | 143 | GLU | -1 | -0.873 | -0.953 | 38.817 | 7.461 | 7.461 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | L | 144 | ALA | 0 | 0.005 | 0.010 | 41.871 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | L | 145 | LYS | 1 | 0.846 | 0.920 | 43.624 | -6.218 | -6.218 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | L | 146 | VAL | 0 | 0.081 | 0.038 | 44.847 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | L | 147 | GLN | 0 | -0.054 | -0.029 | 47.556 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | L | 148 | TRP | 0 | 0.039 | 0.024 | 47.146 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | L | 149 | LYS | 1 | 0.848 | 0.914 | 52.046 | -5.493 | -5.493 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | L | 150 | VAL | 0 | -0.002 | 0.003 | 55.509 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | L | 151 | ASP | -1 | -0.756 | -0.867 | 58.160 | 4.959 | 4.959 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | L | 152 | ASN | 0 | 0.013 | -0.003 | 60.080 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | L | 153 | ALA | 0 | 0.025 | 0.040 | 59.766 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | L | 154 | LEU | 0 | 0.003 | -0.001 | 54.931 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | L | 155 | GLN | 0 | -0.031 | -0.003 | 52.693 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | L | 156 | SER | 0 | -0.004 | -0.008 | 50.225 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | L | 157 | GLY | 0 | 0.060 | 0.049 | 47.673 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | L | 158 | ASN | 0 | 0.019 | -0.004 | 47.502 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | L | 159 | SER | 0 | -0.025 | -0.029 | 46.692 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | L | 160 | GLN | 0 | 0.015 | 0.030 | 39.888 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | L | 161 | GLU | -1 | -0.877 | -0.921 | 40.344 | 7.076 | 7.076 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | L | 162 | SER | 0 | 0.015 | 0.008 | 35.481 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | L | 163 | VAL | 0 | 0.006 | -0.001 | 35.166 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | L | 164 | THR | 0 | 0.009 | 0.004 | 32.996 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | L | 165 | GLU | -1 | -0.740 | -0.801 | 27.743 | 9.992 | 9.992 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | L | 166 | GLN | 0 | -0.007 | -0.015 | 30.986 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | L | 167 | ASP | -1 | -0.745 | -0.842 | 30.931 | 8.634 | 8.634 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | L | 168 | SER | 0 | -0.072 | -0.059 | 29.343 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | L | 169 | LYS | 1 | 0.849 | 0.926 | 30.905 | -8.483 | -8.483 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | L | 170 | ASP | -1 | -0.763 | -0.850 | 34.052 | 7.505 | 7.505 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | L | 171 | SER | 0 | -0.046 | -0.003 | 32.909 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | L | 172 | THR | 0 | -0.058 | -0.039 | 34.656 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | L | 173 | TYR | 0 | -0.065 | -0.057 | 33.541 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | L | 174 | SER | 0 | 0.056 | 0.028 | 36.797 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | L | 175 | LEU | 0 | -0.053 | -0.011 | 37.548 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | L | 176 | SER | 0 | -0.001 | 0.006 | 39.396 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | L | 177 | SER | 0 | 0.052 | 0.018 | 41.235 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | L | 178 | THR | 0 | 0.007 | -0.009 | 43.207 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | L | 179 | LEU | 0 | -0.007 | 0.007 | 45.553 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | L | 180 | THR | 0 | -0.008 | -0.018 | 46.491 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | L | 181 | LEU | 0 | -0.032 | -0.006 | 49.251 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | L | 182 | SER | 0 | 0.031 | -0.014 | 52.375 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | L | 183 | LYS | 1 | 0.897 | 0.926 | 54.665 | -5.374 | -5.374 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | L | 184 | ALA | 0 | 0.035 | 0.025 | 56.996 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | L | 185 | ASP | -1 | -0.816 | -0.873 | 56.660 | 5.405 | 5.405 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | L | 186 | TYR | 0 | 0.015 | 0.002 | 56.040 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | L | 187 | GLU | -1 | -0.877 | -0.964 | 58.146 | 5.047 | 5.047 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | L | 188 | LYS | 1 | 0.822 | 0.918 | 61.494 | -5.069 | -5.069 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | L | 189 | HIS | 1 | 0.846 | 0.933 | 59.554 | -5.176 | -5.176 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | L | 190 | LYS | 1 | 0.943 | 0.967 | 62.147 | -4.706 | -4.706 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | L | 191 | VAL | 0 | -0.015 | -0.009 | 60.448 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | L | 192 | TYR | 0 | -0.001 | 0.015 | 55.189 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | L | 193 | ALA | 0 | 0.020 | -0.013 | 55.400 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | L | 195 | GLU | -1 | -0.822 | -0.882 | 52.279 | 5.618 | 5.618 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | L | 196 | VAL | 0 | 0.011 | 0.001 | 47.471 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | L | 197 | THR | 0 | 0.015 | -0.003 | 49.085 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | L | 198 | HIS | 0 | 0.019 | -0.007 | 42.734 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | L | 199 | GLN | 0 | 0.048 | 0.022 | 44.674 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 200 | GLY | 0 | -0.010 | -0.010 | 46.973 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 201 | LEU | 0 | -0.075 | -0.034 | 48.312 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 202 | SER | 0 | 0.009 | 0.000 | 51.455 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 203 | SER | 0 | 0.007 | 0.004 | 54.643 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 204 | PRO | 0 | 0.018 | 0.014 | 53.095 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 205 | VAL | 0 | 0.023 | 0.047 | 51.904 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 206 | THR | 0 | -0.021 | -0.033 | 52.876 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 207 | LYS | 1 | 0.847 | 0.931 | 52.084 | -5.821 | -5.821 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 208 | SER | 0 | -0.007 | -0.018 | 54.574 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 209 | PHE | 0 | 0.019 | 0.015 | 53.735 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 210 | ASN | 0 | 0.024 | 0.011 | 58.440 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 211 | ARG | 1 | 0.878 | 0.946 | 59.613 | -4.961 | -4.961 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 212 | GLY | 0 | 0.001 | 0.011 | 60.962 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | R | 333 | THR | 0 | 0.015 | -0.012 | 65.019 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | R | 334 | ASN | 0 | -0.002 | 0.011 | 61.487 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | R | 335 | LEU | 0 | 0.055 | 0.029 | 60.461 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | R | 361 | CYS | 0 | -0.099 | -0.019 | 55.448 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | R | 337 | PRO | 0 | 0.010 | 0.017 | 53.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | R | 338 | PHE | 0 | 0.037 | -0.008 | 51.531 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | R | 339 | GLY | 0 | 0.015 | 0.007 | 51.902 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | R | 340 | GLU | -1 | -0.809 | -0.900 | 50.501 | 6.488 | 6.488 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | R | 341 | VAL | 0 | -0.024 | -0.008 | 46.499 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | R | 342 | PHE | 0 | 0.002 | -0.007 | 47.369 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | R | 343 | ASN | 0 | 0.004 | -0.006 | 48.804 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | R | 344 | ALA | 0 | -0.010 | 0.024 | 46.610 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | R | 345 | THR | 0 | 0.028 | 0.000 | 47.302 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | R | 346 | ARG | 1 | 0.921 | 0.970 | 41.699 | -7.450 | -7.450 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | R | 347 | PHE | 0 | 0.037 | 0.021 | 40.906 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | R | 348 | ALA | 0 | -0.016 | 0.002 | 37.621 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | R | 349 | SER | 0 | 0.008 | -0.013 | 33.018 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | R | 350 | VAL | 0 | -0.027 | -0.006 | 31.701 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | R | 351 | TYR | 0 | 0.014 | 0.013 | 29.304 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | R | 352 | ALA | 0 | -0.034 | -0.006 | 31.297 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | R | 353 | TRP | 0 | -0.077 | -0.016 | 34.179 | -0.480 | -0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | R | 354 | ASN | 0 | -0.008 | 0.012 | 36.974 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | R | 355 | ARG | 1 | 0.827 | 0.883 | 40.496 | -7.857 | -7.857 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | R | 356 | LYS | 1 | 0.819 | 0.913 | 42.856 | -6.538 | -6.538 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | R | 357 | ARG | 1 | 0.853 | 0.918 | 46.609 | -6.564 | -6.564 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | R | 358 | ILE | 0 | -0.030 | -0.017 | 48.806 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | R | 359 | SER | 0 | 0.042 | 0.002 | 52.197 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | R | 360 | ASN | 0 | -0.010 | -0.019 | 55.161 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | R | 362 | VAL | 0 | 0.036 | 0.024 | 59.655 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | R | 363 | ALA | 0 | -0.010 | -0.034 | 56.628 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | R | 364 | ASP | -1 | -0.782 | -0.876 | 58.592 | 5.374 | 5.374 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | R | 365 | TYR | 0 | 0.029 | -0.006 | 53.154 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | R | 366 | SER | 0 | -0.003 | -0.005 | 56.688 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | R | 367 | VAL | 0 | 0.008 | 0.010 | 58.532 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | R | 368 | LEU | 0 | -0.013 | 0.001 | 52.474 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | R | 369 | TYR | 0 | -0.017 | -0.007 | 53.498 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | R | 370 | ASN | 0 | -0.069 | -0.052 | 55.581 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | R | 371 | SER | 0 | -0.014 | -0.003 | 54.736 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | R | 372 | ALA | 0 | -0.033 | -0.019 | 55.660 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | R | 373 | SER | 0 | -0.029 | -0.006 | 53.183 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | R | 374 | PHE | 0 | -0.012 | -0.005 | 48.749 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | R | 375 | SER | 0 | 0.008 | 0.002 | 45.367 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | R | 376 | THR | 0 | -0.085 | -0.046 | 43.852 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | R | 377 | PHE | 0 | 0.064 | 0.010 | 46.911 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | R | 378 | LYN | 0 | -0.004 | 0.026 | 45.775 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | R | 432 | CYS | 0 | -0.104 | -0.037 | 47.389 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | R | 380 | TYR | 0 | 0.001 | -0.016 | 43.238 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | R | 381 | GLY | 0 | 0.035 | 0.016 | 48.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | R | 382 | VAL | 0 | -0.019 | -0.012 | 50.854 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | R | 383 | SER | 0 | 0.001 | 0.003 | 52.831 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | R | 384 | PRO | 0 | 0.076 | 0.015 | 53.324 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | R | 385 | THR | 0 | -0.030 | -0.022 | 55.520 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | R | 386 | LYS | 1 | 0.956 | 0.982 | 58.077 | -5.512 | -5.512 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | R | 387 | LEU | 0 | -0.011 | 0.007 | 53.083 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | R | 388 | ASN | 0 | 0.009 | -0.006 | 57.430 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | R | 389 | ASP | -1 | -0.955 | -0.962 | 60.158 | 5.142 | 5.142 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | R | 390 | LEU | 0 | -0.043 | -0.013 | 56.070 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | R | 525 | CYS | 0 | -0.003 | -0.005 | 57.727 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | R | 392 | PHE | 0 | 0.032 | 0.009 | 53.584 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | R | 393 | THR | 0 | -0.024 | -0.005 | 52.686 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | R | 394 | ASN | 0 | 0.010 | 0.020 | 50.818 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | R | 395 | VAL | 0 | 0.023 | 0.011 | 50.296 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | R | 396 | TYR | 0 | -0.060 | -0.049 | 45.307 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | R | 397 | ALA | 0 | 0.028 | 0.013 | 46.609 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | R | 398 | ASP | -1 | -0.723 | -0.791 | 40.895 | 7.915 | 7.915 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | R | 399 | SER | 0 | 0.011 | 0.006 | 41.609 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | R | 400 | PHE | 0 | -0.006 | -0.009 | 37.061 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | R | 401 | VAL | 0 | 0.022 | 0.023 | 37.219 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | R | 402 | ILE | 0 | 0.002 | 0.008 | 34.069 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | R | 403 | ARG | 1 | 0.820 | 0.900 | 29.733 | -10.650 | -10.650 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | R | 404 | GLY | 0 | 0.072 | 0.044 | 35.852 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | R | 405 | ASP | -1 | -0.831 | -0.912 | 34.356 | 9.268 | 9.268 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | R | 406 | GLU | -1 | -0.862 | -0.930 | 30.633 | 10.721 | 10.721 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | R | 407 | VAL | 0 | 0.029 | 0.021 | 34.953 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | R | 408 | ARG | 1 | 0.839 | 0.899 | 32.434 | -9.719 | -9.719 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | R | 409 | GLN | 0 | 0.005 | 0.006 | 31.056 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | R | 410 | ILE | 0 | -0.043 | -0.010 | 35.511 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | R | 411 | ALA | 0 | 0.061 | 0.024 | 37.902 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | R | 412 | PRO | 0 | 0.033 | 0.041 | 37.996 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | R | 413 | GLY | 0 | 0.017 | 0.014 | 36.590 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | R | 414 | GLN | 0 | -0.113 | -0.015 | 34.821 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | R | 415 | THR | 0 | -0.008 | -0.004 | 29.220 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | R | 416 | GLY | 0 | 0.033 | 0.007 | 28.437 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | R | 417 | LYS | 1 | 0.851 | 0.921 | 24.192 | -12.929 | -12.929 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | R | 418 | ILE | 0 | -0.026 | -0.001 | 27.541 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | R | 419 | ALA | 0 | 0.054 | 0.042 | 30.835 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | R | 420 | ASP | -1 | -0.718 | -0.795 | 26.427 | 11.947 | 11.947 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | R | 421 | TYR | 0 | -0.036 | -0.032 | 22.923 | 0.552 | 0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | R | 422 | ASN | 0 | -0.037 | -0.004 | 27.353 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | R | 423 | TYR | 0 | 0.046 | -0.014 | 30.515 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | R | 424 | LYS | 1 | 0.841 | 0.952 | 32.661 | -9.859 | -9.859 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | R | 425 | LEU | 0 | 0.004 | 0.018 | 34.683 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | R | 426 | PRO | 0 | 0.010 | 0.005 | 37.212 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | R | 427 | ASP | -1 | -0.798 | -0.889 | 37.149 | 8.884 | 8.884 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | R | 428 | ASP | -1 | -0.921 | -0.952 | 40.060 | 7.653 | 7.653 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | R | 429 | PHE | 0 | -0.074 | -0.029 | 42.011 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | R | 430 | THR | 0 | -0.003 | -0.002 | 43.944 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | R | 431 | GLY | 0 | 0.063 | 0.026 | 46.835 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | R | 433 | VAL | 0 | 0.009 | 0.003 | 42.071 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | R | 434 | ILE | 0 | -0.020 | 0.000 | 45.097 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | R | 435 | ALA | 0 | 0.007 | -0.005 | 42.869 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | R | 436 | TRP | 0 | 0.019 | 0.004 | 44.600 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | R | 437 | ASN | 0 | 0.007 | 0.009 | 43.526 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | R | 438 | SER | 0 | 0.012 | -0.025 | 42.488 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | R | 439 | ASN | 0 | 0.007 | -0.005 | 41.603 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | R | 440 | ASN | 0 | -0.011 | 0.001 | 43.335 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | R | 441 | LEU | 0 | -0.042 | -0.004 | 44.986 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | R | 442 | ASP | -1 | -0.735 | -0.788 | 40.082 | 7.798 | 7.798 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | R | 443 | SER | 0 | -0.024 | -0.018 | 39.526 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | R | 444 | LYS | 1 | 0.868 | 0.927 | 38.402 | -8.563 | -8.563 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | R | 445 | VAL | 0 | 0.064 | 0.023 | 39.758 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | R | 446 | GLY | 0 | -0.004 | 0.003 | 37.381 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | R | 447 | GLY | 0 | 0.003 | 0.022 | 35.468 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | R | 448 | ASN | 0 | -0.082 | -0.056 | 36.536 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | R | 449 | TYR | 0 | 0.021 | -0.006 | 31.470 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | R | 450 | ASN | 0 | -0.012 | 0.002 | 33.028 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | R | 451 | TYR | 0 | -0.052 | -0.034 | 34.368 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | R | 452 | LEU | 0 | 0.006 | 0.003 | 29.059 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | R | 453 | TYR | 0 | -0.012 | -0.058 | 25.827 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | R | 454 | ARG | 1 | 0.763 | 0.843 | 24.065 | -12.267 | -12.267 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | R | 455 | LEU | 0 | -0.034 | 0.011 | 20.872 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | R | 456 | PHE | 0 | 0.013 | 0.017 | 17.327 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | R | 457 | ARG | 1 | 0.742 | 0.859 | 20.511 | -12.961 | -12.961 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | R | 458 | LYS | 1 | 0.875 | 0.939 | 17.526 | -16.687 | -16.687 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | R | 459 | SER | 0 | -0.003 | 0.012 | 19.981 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | R | 460 | ASN | 0 | 0.087 | 0.041 | 23.280 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | R | 461 | LEU | 0 | -0.068 | 0.009 | 26.612 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | R | 462 | LYS | 1 | 0.893 | 0.935 | 29.705 | -10.817 | -10.817 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | R | 463 | PRO | 0 | 0.038 | 0.003 | 32.821 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | R | 464 | PHE | 0 | -0.017 | -0.010 | 36.214 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | R | 465 | GLU | -1 | -0.751 | -0.831 | 29.655 | 10.964 | 10.964 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | R | 466 | ARG | 1 | 0.880 | 0.929 | 32.904 | -8.886 | -8.886 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | R | 467 | ASP | -1 | -0.778 | -0.839 | 26.617 | 12.271 | 12.271 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | R | 468 | ILE | 0 | 0.033 | 0.011 | 29.587 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | R | 469 | SER | 0 | -0.047 | -0.036 | 25.459 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | R | 470 | THR | 0 | 0.036 | 0.001 | 24.790 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | R | 471 | GLU | -1 | -0.787 | -0.825 | 19.910 | 16.734 | 16.734 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | R | 472 | ILE | 0 | 0.045 | 0.038 | 16.397 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | R | 473 | TYR | 0 | -0.040 | -0.029 | 15.374 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | R | 474 | GLN | 0 | -0.013 | -0.015 | 12.047 | 1.567 | 1.567 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | R | 475 | ALA | 0 | 0.006 | 0.024 | 11.633 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | R | 476 | GLY | 0 | 0.061 | 0.027 | 7.789 | 2.465 | 2.465 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | R | 477 | SER | 0 | 0.001 | 0.006 | 5.401 | -4.321 | -4.321 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | R | 478 | THR | 0 | 0.007 | 0.010 | 6.983 | -1.105 | -1.105 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | R | 479 | PRO | 0 | 0.019 | 0.002 | 9.409 | -1.004 | -1.004 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | R | 488 | CYS | 0 | 0.008 | 0.030 | 10.458 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | R | 481 | ASN | 0 | -0.046 | -0.025 | 14.462 | -1.221 | -1.221 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | R | 482 | GLY | 0 | 0.006 | 0.015 | 17.585 | -0.788 | -0.788 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | R | 483 | VAL | 0 | -0.016 | -0.004 | 16.422 | -0.848 | -0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | R | 484 | GLU | -1 | -0.817 | -0.905 | 16.315 | 16.846 | 16.846 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | R | 485 | GLY | 0 | 0.000 | -0.003 | 13.661 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | R | 486 | PHE | 0 | -0.007 | -0.005 | 5.891 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | R | 487 | ASN | 0 | -0.041 | -0.029 | 6.212 | -2.077 | -2.077 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | R | 489 | TYR | 0 | 0.058 | 0.039 | 12.476 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | R | 490 | PHE | 0 | 0.045 | 0.014 | 16.975 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | R | 491 | PRO | 0 | -0.057 | -0.012 | 20.680 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | R | 492 | LEU | 0 | -0.025 | -0.008 | 21.621 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | R | 493 | GLN | 0 | 0.016 | 0.015 | 22.289 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | R | 494 | SER | 0 | 0.024 | -0.004 | 25.616 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | R | 495 | TYR | 0 | -0.047 | -0.040 | 28.916 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | R | 496 | GLY | 0 | 0.073 | 0.051 | 31.504 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | R | 497 | PHE | 0 | -0.006 | 0.013 | 32.840 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | R | 498 | GLN | 0 | 0.005 | 0.013 | 35.582 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | R | 499 | PRO | 0 | 0.029 | 0.023 | 38.560 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | R | 500 | THR | 0 | 0.016 | 0.002 | 39.422 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | R | 501 | ASN | 0 | -0.049 | -0.024 | 35.029 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | R | 502 | GLY | 0 | 0.037 | 0.023 | 37.761 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | R | 503 | VAL | 0 | 0.027 | -0.010 | 38.740 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | R | 504 | GLY | 0 | 0.023 | 0.023 | 37.494 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | R | 505 | TYR | 0 | 0.026 | -0.010 | 31.848 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | R | 506 | GLN | 0 | 0.006 | 0.032 | 35.919 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | R | 507 | PRO | 0 | -0.011 | 0.009 | 38.166 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | R | 508 | TYR | 0 | -0.006 | -0.013 | 39.101 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | R | 509 | ARG | 1 | 0.770 | 0.867 | 40.029 | -7.158 | -7.158 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | R | 510 | VAL | 0 | -0.008 | -0.009 | 39.515 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | R | 511 | VAL | 0 | 0.002 | -0.012 | 42.370 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | R | 512 | VAL | 0 | -0.025 | -0.006 | 40.910 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | R | 513 | LEU | 0 | -0.029 | 0.008 | 44.212 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | R | 514 | SER | 0 | 0.042 | 0.001 | 44.162 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | R | 515 | PHE | 0 | 0.023 | 0.003 | 46.731 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | R | 516 | GLU | -1 | -0.804 | -0.859 | 48.900 | 6.717 | 6.717 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | R | 517 | LEU | 0 | 0.044 | 0.012 | 50.668 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | R | 518 | LEU | 0 | 0.014 | 0.014 | 53.614 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | R | 519 | HIS | 0 | -0.011 | -0.006 | 51.847 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | R | 520 | ALA | 0 | 0.007 | -0.004 | 57.301 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | R | 521 | PRO | 0 | -0.026 | 0.002 | 56.945 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | R | 522 | ALA | 0 | 0.014 | -0.014 | 57.979 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | R | 523 | THR | 0 | -0.095 | -0.053 | 56.100 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | R | 524 | VAL | 0 | 0.002 | 0.005 | 54.589 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | R | 526 | GLY | 0 | 0.030 | 0.039 | 60.074 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | H | 301 | HOH | 0 | -0.032 | -0.035 | 36.358 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | H | 302 | HOH | 0 | 0.007 | 0.001 | 12.675 | -0.671 | -0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | H | 303 | HOH | 0 | 0.001 | -0.007 | 15.738 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | H | 304 | HOH | 0 | -0.037 | -0.032 | 37.637 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | H | 305 | HOH | 0 | -0.033 | -0.025 | 51.230 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | H | 306 | HOH | 0 | 0.010 | 0.001 | 28.858 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | H | 307 | HOH | 0 | -0.011 | -0.001 | 17.836 | 0.452 | 0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | H | 308 | HOH | 0 | 0.000 | -0.005 | 20.760 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | H | 309 | HOH | 0 | -0.015 | -0.002 | 33.061 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | H | 310 | HOH | 0 | -0.021 | -0.023 | 41.752 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | H | 311 | HOH | 0 | 0.026 | 0.017 | 36.104 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | H | 312 | HOH | 0 | -0.012 | -0.005 | 23.672 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | H | 313 | HOH | 0 | -0.002 | -0.009 | 33.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | H | 314 | HOH | 0 | -0.025 | -0.017 | 30.785 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | H | 315 | HOH | 0 | 0.001 | 0.002 | 49.298 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | H | 316 | HOH | 0 | -0.022 | -0.027 | 8.297 | 1.175 | 1.175 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | H | 317 | HOH | 0 | -0.013 | -0.007 | 13.948 | -0.775 | -0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | H | 318 | HOH | 0 | -0.021 | -0.026 | 29.120 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | H | 319 | HOH | 0 | 0.006 | -0.018 | 49.874 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | H | 320 | HOH | 0 | -0.020 | -0.023 | 39.208 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | H | 321 | HOH | 0 | -0.032 | -0.020 | 16.302 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | H | 322 | HOH | 0 | -0.006 | -0.008 | 27.630 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | H | 323 | HOH | 0 | -0.030 | -0.021 | 26.206 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | H | 324 | HOH | 0 | -0.011 | -0.016 | 33.041 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | H | 325 | HOH | 0 | -0.045 | -0.036 | 32.197 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | H | 326 | HOH | 0 | -0.037 | -0.028 | 22.020 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | H | 327 | HOH | 0 | -0.013 | -0.019 | 29.556 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | H | 328 | HOH | 0 | -0.018 | -0.038 | 31.414 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | H | 329 | HOH | 0 | 0.000 | -0.012 | 14.519 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | H | 330 | HOH | 0 | -0.012 | -0.018 | 35.683 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | H | 331 | HOH | 0 | -0.014 | -0.015 | 24.358 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | H | 332 | HOH | 0 | -0.002 | -0.011 | 11.096 | -0.894 | -0.894 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | H | 333 | HOH | 0 | -0.013 | -0.009 | 30.769 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | H | 334 | HOH | 0 | -0.018 | -0.021 | 18.491 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | H | 335 | HOH | 0 | -0.010 | -0.011 | 27.453 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | H | 336 | HOH | 0 | 0.025 | 0.002 | 26.521 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | H | 337 | HOH | 0 | -0.010 | -0.001 | 22.667 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | H | 338 | HOH | 0 | -0.009 | -0.007 | 31.966 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | H | 339 | HOH | 0 | -0.032 | -0.035 | 12.495 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | H | 340 | HOH | 0 | -0.008 | -0.002 | 25.639 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | H | 341 | HOH | 0 | 0.013 | -0.007 | 15.021 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | H | 342 | HOH | 0 | -0.023 | -0.023 | 12.405 | -0.738 | -0.738 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | H | 343 | HOH | 0 | -0.023 | -0.030 | 33.645 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | H | 344 | HOH | 0 | 0.003 | -0.013 | 51.508 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | H | 345 | HOH | 0 | -0.033 | -0.039 | 28.881 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | H | 346 | HOH | 0 | 0.004 | -0.006 | 39.541 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | H | 347 | HOH | 0 | -0.035 | -0.031 | 39.617 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | H | 348 | HOH | 0 | 0.036 | 0.022 | 33.606 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | H | 349 | HOH | 0 | 0.000 | -0.008 | 32.835 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | H | 350 | HOH | 0 | -0.010 | -0.005 | 34.749 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | H | 351 | HOH | 0 | 0.008 | 0.002 | 16.982 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | H | 352 | HOH | 0 | 0.021 | 0.003 | 16.393 | 0.639 | 0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | H | 353 | HOH | 0 | -0.016 | -0.017 | 22.594 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | H | 354 | HOH | 0 | -0.024 | -0.025 | 29.762 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | H | 355 | HOH | 0 | -0.016 | -0.013 | 8.425 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | H | 356 | HOH | 0 | -0.006 | -0.006 | 36.307 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | H | 357 | HOH | 0 | -0.030 | -0.023 | 31.677 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | H | 358 | HOH | 0 | -0.005 | -0.004 | 21.386 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | H | 359 | HOH | 0 | -0.017 | -0.022 | 44.839 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | H | 360 | HOH | 0 | 0.013 | 0.005 | 40.300 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | H | 361 | HOH | 0 | -0.012 | -0.008 | 42.908 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | H | 362 | HOH | 0 | -0.007 | -0.016 | 35.408 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | H | 363 | HOH | 0 | -0.011 | -0.009 | 23.392 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | H | 364 | HOH | 0 | 0.012 | 0.006 | 28.069 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | H | 365 | HOH | 0 | -0.032 | -0.025 | 28.564 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | H | 366 | HOH | 0 | -0.022 | -0.019 | 53.276 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | H | 367 | HOH | 0 | -0.033 | -0.034 | 34.426 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | H | 368 | HOH | 0 | -0.030 | -0.042 | 17.208 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | H | 369 | HOH | 0 | 0.001 | 0.003 | 19.436 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | H | 370 | HOH | 0 | -0.016 | -0.009 | 28.674 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | H | 371 | HOH | 0 | 0.007 | -0.004 | 21.602 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | H | 372 | HOH | 0 | -0.004 | -0.001 | 41.813 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | H | 373 | HOH | 0 | -0.046 | -0.042 | 26.805 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | H | 374 | HOH | 0 | -0.019 | -0.016 | 23.755 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | H | 375 | HOH | 0 | -0.001 | -0.005 | 31.377 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | L | 301 | HOH | 0 | -0.002 | 0.005 | 50.099 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | L | 302 | HOH | 0 | 0.037 | 0.025 | 16.960 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | L | 303 | HOH | 0 | -0.030 | -0.042 | 49.169 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | L | 304 | HOH | 0 | 0.017 | 0.006 | 44.607 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | L | 305 | HOH | 0 | -0.053 | -0.055 | 36.369 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | L | 306 | HOH | 0 | 0.000 | -0.004 | 56.868 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | L | 307 | HOH | 0 | 0.002 | -0.008 | 41.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | L | 308 | HOH | 0 | -0.005 | -0.007 | 26.667 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | L | 309 | HOH | 0 | -0.002 | -0.002 | 30.155 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | L | 310 | HOH | 0 | -0.015 | -0.016 | 31.051 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | L | 311 | HOH | 0 | -0.036 | -0.030 | 30.788 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | L | 312 | HOH | 0 | 0.001 | -0.010 | 49.401 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | L | 313 | HOH | 0 | -0.040 | -0.028 | 41.340 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | L | 314 | HOH | 0 | -0.025 | -0.024 | 46.343 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | L | 315 | HOH | 0 | -0.012 | 0.005 | 45.636 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | L | 316 | HOH | 0 | -0.012 | -0.016 | 27.184 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | L | 317 | HOH | 0 | 0.008 | -0.001 | 59.905 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | L | 318 | HOH | 0 | 0.019 | 0.004 | 33.110 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | L | 319 | HOH | 0 | -0.026 | -0.030 | 25.548 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | L | 320 | HOH | 0 | -0.009 | -0.018 | 21.707 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | L | 321 | HOH | 0 | 0.013 | 0.009 | 28.220 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | L | 322 | HOH | 0 | -0.011 | -0.015 | 31.657 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | L | 323 | HOH | 0 | 0.005 | -0.006 | 33.480 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | L | 324 | HOH | 0 | -0.003 | -0.032 | 20.329 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | L | 325 | HOH | 0 | -0.018 | -0.022 | 27.304 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | L | 326 | HOH | 0 | -0.018 | -0.011 | 32.445 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | L | 327 | HOH | 0 | -0.042 | -0.041 | 28.556 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | L | 328 | HOH | 0 | 0.009 | -0.004 | 40.202 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | L | 329 | HOH | 0 | -0.030 | -0.034 | 28.119 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | L | 330 | HOH | 0 | -0.055 | -0.054 | 31.533 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | L | 331 | HOH | 0 | -0.012 | -0.017 | 15.679 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | L | 332 | HOH | 0 | -0.006 | -0.013 | 36.200 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | L | 333 | HOH | 0 | 0.004 | -0.007 | 29.434 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | L | 334 | HOH | 0 | -0.044 | -0.037 | 58.047 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | L | 335 | HOH | 0 | -0.005 | -0.003 | 23.533 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | L | 336 | HOH | 0 | -0.041 | -0.036 | 51.113 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | L | 337 | HOH | 0 | -0.029 | -0.037 | 51.153 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | L | 338 | HOH | 0 | -0.015 | -0.013 | 25.640 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | L | 339 | HOH | 0 | -0.017 | -0.022 | 25.497 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | L | 340 | HOH | 0 | -0.013 | -0.025 | 16.481 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | L | 341 | HOH | 0 | 0.000 | 0.007 | 34.483 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | L | 342 | HOH | 0 | -0.010 | 0.006 | 35.507 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | L | 343 | HOH | 0 | -0.005 | -0.005 | 29.446 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | L | 344 | HOH | 0 | -0.006 | -0.015 | 37.312 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | L | 345 | HOH | 0 | 0.005 | -0.008 | 37.809 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | L | 346 | HOH | 0 | 0.010 | 0.004 | 23.044 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | L | 347 | HOH | 0 | -0.013 | -0.016 | 27.514 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | L | 348 | HOH | 0 | -0.053 | -0.045 | 13.408 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | L | 349 | HOH | 0 | -0.025 | -0.025 | 21.115 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | L | 350 | HOH | 0 | -0.001 | -0.005 | 57.250 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | L | 351 | HOH | 0 | -0.012 | -0.018 | 39.220 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | L | 352 | HOH | 0 | 0.019 | 0.013 | 31.050 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | L | 353 | HOH | 0 | -0.004 | -0.018 | 43.158 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | L | 354 | HOH | 0 | -0.036 | -0.028 | 27.445 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | L | 355 | HOH | 0 | -0.018 | -0.016 | 24.383 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | L | 356 | HOH | 0 | -0.008 | -0.018 | 32.166 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | L | 357 | HOH | 0 | -0.035 | -0.026 | 17.178 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | L | 358 | HOH | 0 | -0.046 | -0.038 | 32.490 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | L | 359 | HOH | 0 | -0.013 | -0.014 | 34.683 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | L | 360 | HOH | 0 | -0.018 | -0.020 | 52.074 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | L | 361 | HOH | 0 | -0.009 | -0.016 | 23.334 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | L | 362 | HOH | 0 | -0.020 | -0.014 | 64.779 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | L | 363 | HOH | 0 | 0.002 | -0.008 | 56.604 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | L | 364 | HOH | 0 | -0.008 | -0.007 | 28.669 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | L | 365 | HOH | 0 | -0.005 | 0.000 | 19.518 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | L | 366 | HOH | 0 | 0.012 | 0.004 | 11.344 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | L | 367 | HOH | 0 | 0.005 | -0.010 | 24.777 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | L | 368 | HOH | 0 | -0.026 | -0.025 | 17.936 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | L | 369 | HOH | 0 | 0.007 | -0.006 | 26.889 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | L | 370 | HOH | 0 | 0.001 | 0.012 | 45.227 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | L | 371 | HOH | 0 | -0.027 | -0.026 | 28.378 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | R | 701 | HOH | 0 | -0.033 | -0.030 | 23.945 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | R | 702 | HOH | 0 | -0.027 | -0.030 | 30.127 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | R | 703 | HOH | 0 | -0.053 | -0.055 | 36.423 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | R | 704 | HOH | 0 | -0.020 | -0.032 | 28.451 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | R | 705 | HOH | 0 | 0.010 | -0.016 | 36.649 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | R | 706 | HOH | 0 | 0.019 | 0.000 | 35.246 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | R | 707 | HOH | 0 | -0.029 | -0.031 | 43.034 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | R | 708 | HOH | 0 | 0.040 | 0.023 | 21.376 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | R | 709 | HOH | 0 | -0.021 | -0.027 | 31.194 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | R | 710 | HOH | 0 | -0.023 | -0.028 | 30.431 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | R | 711 | HOH | 0 | -0.020 | -0.017 | 33.320 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | R | 712 | HOH | 0 | -0.046 | -0.048 | 17.830 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | R | 713 | HOH | 0 | -0.005 | -0.010 | 42.158 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | R | 714 | HOH | 0 | -0.035 | -0.032 | 11.289 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | R | 715 | HOH | 0 | -0.002 | -0.009 | 38.022 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | R | 716 | HOH | 0 | -0.012 | -0.021 | 10.450 | 0.824 | 0.824 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | R | 717 | HOH | 0 | -0.003 | -0.022 | 21.945 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | R | 718 | HOH | 0 | -0.007 | -0.030 | 42.302 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | R | 719 | HOH | 0 | -0.024 | -0.019 | 20.699 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | R | 720 | HOH | 0 | -0.018 | -0.019 | 46.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | R | 721 | HOH | 0 | 0.012 | -0.003 | 33.317 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | R | 722 | HOH | 0 | -0.020 | -0.031 | 32.653 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | R | 723 | HOH | 0 | -0.010 | -0.024 | 24.729 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | R | 724 | HOH | 0 | -0.013 | -0.010 | 25.901 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | R | 725 | HOH | 0 | -0.029 | -0.018 | 13.289 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | R | 726 | HOH | 0 | -0.002 | -0.007 | 44.430 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | R | 727 | HOH | 0 | -0.037 | -0.031 | 37.458 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | R | 728 | HOH | 0 | 0.009 | 0.001 | 41.941 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | R | 729 | HOH | 0 | 0.036 | 0.029 | 45.055 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | R | 730 | HOH | 0 | 0.025 | 0.005 | 32.093 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | R | 731 | HOH | 0 | -0.007 | -0.010 | 44.664 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | R | 732 | HOH | 0 | 0.038 | 0.025 | 16.029 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | R | 733 | HOH | 0 | -0.051 | -0.054 | 28.372 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | R | 734 | HOH | 0 | 0.001 | 0.004 | 33.575 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | R | 735 | HOH | 0 | -0.065 | -0.069 | 17.132 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | R | 736 | HOH | 0 | -0.050 | -0.033 | 49.026 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | R | 737 | HOH | 0 | -0.002 | -0.007 | 44.053 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | R | 738 | HOH | 0 | -0.016 | -0.015 | 49.018 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | R | 739 | HOH | 0 | -0.036 | -0.050 | 19.884 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | R | 740 | HOH | 0 | -0.007 | -0.029 | 37.235 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | R | 741 | HOH | 0 | -0.013 | -0.020 | 15.216 | -0.569 | -0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | R | 742 | HOH | 0 | 0.024 | 0.020 | 44.559 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | R | 743 | HOH | 0 | -0.007 | -0.010 | 12.373 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |