![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: RY978
Calculation Name: 5M2N-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5M2N
Chain ID: A
UniProt ID: P42935
Base Structure: X-ray
Registration Date: 2023-09-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 711 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -18201812.647766 |
---|---|
FMO2-HF: Nuclear repulsion | 17916545.802374 |
FMO2-HF: Total energy | -285266.845392 |
FMO2-MP2: Total energy | -286101.36253 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F040177/ligand_interaction/ligand_F040177.png)
Ligand Interaction
![ligand interaction](./Kdata/F040177/ligand_interaction/ligand_interaction_F040177.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:3:GLU)
Summations of interaction energy for
fragment #1(A:3: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. |
27.717 | 33.529 | 5.02 | -4.473 | -6.359 | -0.004 |
Interaction energy analysis for fragmet #1(A:3: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 | A | 5 | ILE | 0 | 0.026 | -0.001 | 3.454 | -5.004 | -3.318 | 0.002 | -0.700 | -0.988 | 0.005 |
4 | A | 6 | THR | 0 | -0.028 | -0.005 | 6.346 | -1.179 | -1.179 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 7 | PRO | 0 | 0.047 | 0.015 | 9.810 | -0.478 | -0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | GLU | -1 | -0.878 | -0.938 | 11.845 | 19.965 | 19.965 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | ALA | 0 | -0.026 | -0.010 | 14.346 | -0.966 | -0.966 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | ILE | 0 | 0.020 | 0.017 | 17.385 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | PHE | 0 | -0.026 | -0.001 | 19.952 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | ILE | 0 | 0.021 | -0.006 | 23.181 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | GLY | 0 | -0.035 | 0.015 | 25.706 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | ALA | 0 | -0.056 | -0.039 | 29.478 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | ASN | 0 | 0.030 | 0.015 | 31.879 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | LYS | 1 | 0.881 | 0.944 | 34.198 | -8.046 | -8.046 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | GLN | 0 | 0.040 | 0.019 | 37.559 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | THR | 0 | 0.000 | -0.006 | 39.116 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | GLN | 0 | -0.060 | -0.025 | 40.089 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | VAL | 0 | 0.005 | 0.012 | 34.695 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | SER | 0 | -0.021 | -0.026 | 34.383 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | ASP | -1 | -0.792 | -0.899 | 34.279 | 8.229 | 8.229 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | ILE | 0 | -0.041 | -0.018 | 32.754 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | HIS | 0 | 0.028 | 0.028 | 31.480 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | LYS | 1 | 1.003 | 0.995 | 33.467 | -8.068 | -8.068 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | VAL | 0 | -0.026 | -0.013 | 32.569 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | LYS | 1 | 0.852 | 0.930 | 27.150 | -11.096 | -11.096 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | LYS | 1 | 0.893 | 0.969 | 29.756 | -8.652 | -8.652 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | ILE | 0 | 0.023 | 0.020 | 25.843 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | VAL | 0 | -0.008 | -0.006 | 29.162 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | ALA | 0 | 0.018 | 0.014 | 28.814 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | PHE | 0 | -0.002 | -0.022 | 27.742 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | GLY | 0 | 0.024 | 0.025 | 29.841 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | ALA | 0 | 0.007 | -0.004 | 27.414 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | GLY | 0 | 0.095 | 0.045 | 28.022 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | LYS | 1 | 0.886 | 0.957 | 26.614 | -11.188 | -11.188 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | THR | 0 | -0.087 | -0.042 | 24.102 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | ILE | 0 | 0.036 | 0.017 | 26.702 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | ALA | 0 | -0.003 | 0.011 | 25.113 | 0.576 | 0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | LEU | 0 | 0.007 | 0.008 | 23.420 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | TRP | 0 | 0.017 | -0.020 | 24.427 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | ASP | -1 | -0.843 | -0.925 | 24.615 | 11.310 | 11.310 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | PRO | 0 | -0.043 | -0.020 | 26.368 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | ILE | 0 | -0.021 | -0.019 | 28.531 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | GLU | -1 | -0.801 | -0.880 | 21.424 | 13.411 | 13.411 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | PRO | 0 | 0.003 | -0.003 | 23.666 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | ASN | 0 | -0.031 | -0.020 | 21.214 | -0.487 | -0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | ASN | 0 | -0.048 | -0.029 | 23.667 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | LYS | 1 | 0.893 | 0.933 | 16.775 | -16.396 | -16.396 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | GLY | 0 | 0.024 | 0.011 | 22.450 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | VAL | 0 | -0.012 | -0.013 | 22.086 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | TYR | 0 | -0.068 | -0.046 | 19.296 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | ALA | 0 | 0.017 | 0.008 | 18.876 | 0.919 | 0.919 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | THR | 0 | -0.004 | 0.007 | 20.730 | -0.512 | -0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | LEU | 0 | 0.003 | 0.015 | 22.039 | 0.518 | 0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | LYS | 1 | 0.845 | 0.910 | 18.910 | -15.861 | -15.861 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | GLY | 0 | 0.050 | 0.008 | 24.748 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | HIS | 0 | -0.040 | -0.013 | 27.511 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | GLU | -1 | -0.969 | -0.981 | 29.225 | 9.895 | 9.895 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | ALA | 0 | -0.011 | -0.013 | 31.306 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | GLU | -1 | -0.922 | -0.950 | 32.543 | 8.858 | 8.858 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | VAL | 0 | -0.012 | -0.008 | 30.618 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | THR | 0 | -0.043 | -0.023 | 33.664 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | CYS | 0 | -0.084 | -0.032 | 36.615 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | VAL | 0 | 0.019 | 0.004 | 32.383 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | ARG | 1 | 0.895 | 0.955 | 35.518 | -8.018 | -8.018 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | PHE | 0 | 0.004 | -0.002 | 30.103 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | VAL | 0 | -0.035 | -0.009 | 35.528 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | PRO | 0 | -0.035 | -0.008 | 36.829 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | ASP | -1 | -0.975 | -0.991 | 37.850 | 7.961 | 7.961 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | SER | 0 | 0.012 | 0.001 | 35.846 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | ASP | -1 | -0.926 | -0.958 | 30.413 | 10.240 | 10.240 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | PHE | 0 | 0.009 | -0.008 | 31.104 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | MET | 0 | -0.038 | -0.017 | 29.510 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | VAL | 0 | 0.002 | 0.011 | 33.326 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | SER | 0 | 0.011 | 0.012 | 32.771 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | ALA | 0 | 0.020 | 0.005 | 34.790 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | SER | 0 | 0.018 | 0.000 | 33.991 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | GLU | -1 | -0.933 | -0.979 | 36.138 | 7.861 | 7.861 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | ASP | -1 | -0.785 | -0.891 | 33.855 | 8.940 | 8.940 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | HIS | 0 | -0.038 | -0.016 | 36.904 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | HIS | 0 | 0.002 | 0.005 | 34.349 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | VAL | 0 | -0.028 | -0.022 | 36.919 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | LYS | 1 | 0.839 | 0.923 | 29.446 | -10.468 | -10.468 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | ILE | 0 | -0.005 | 0.005 | 33.642 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | TRP | 0 | -0.005 | -0.020 | 25.840 | 0.515 | 0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | LYS | 1 | 0.915 | 0.953 | 28.896 | -10.451 | -10.451 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | PHE | 0 | -0.025 | -0.015 | 25.799 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | THR | 0 | -0.002 | 0.007 | 21.723 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | ASP | -1 | -0.831 | -0.923 | 20.599 | 15.126 | 15.126 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | TYR | 0 | -0.027 | -0.019 | 22.710 | -0.619 | -0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | SER | 0 | 0.012 | -0.002 | 21.282 | -0.772 | -0.772 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | HIS | 0 | -0.021 | -0.003 | 18.463 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | LEU | 0 | 0.010 | -0.002 | 22.690 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | GLN | 0 | 0.004 | 0.009 | 23.839 | 0.965 | 0.965 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | CYM | -1 | -0.861 | -0.910 | 25.703 | 10.100 | 10.100 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | ILE | 0 | -0.055 | -0.032 | 28.428 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | GLN | 0 | 0.079 | 0.046 | 31.005 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | THR | 0 | -0.013 | -0.017 | 32.540 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | ILE | 0 | -0.043 | -0.016 | 34.870 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | GLN | 0 | -0.008 | -0.014 | 36.621 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | HIS | 0 | -0.042 | -0.020 | 39.847 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | TYR | 0 | 0.025 | -0.005 | 42.247 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | SER | 0 | 0.017 | 0.008 | 42.864 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | LYS | 1 | 0.906 | 0.948 | 44.131 | -6.543 | -6.543 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | THR | 0 | 0.062 | 0.035 | 40.445 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | ILE | 0 | 0.000 | 0.003 | 40.118 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | VAL | 0 | -0.024 | -0.022 | 41.223 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | ALA | 0 | 0.004 | 0.006 | 43.009 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | LEU | 0 | 0.020 | -0.001 | 38.315 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | SER | 0 | -0.006 | 0.001 | 42.392 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | ALA | 0 | -0.006 | 0.012 | 40.064 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | LEU | 0 | -0.025 | -0.026 | 42.050 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | PRO | 0 | 0.040 | 0.027 | 41.041 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | SER | 0 | -0.017 | -0.004 | 40.907 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | LEU | 0 | -0.039 | -0.038 | 42.334 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | ILE | 0 | 0.025 | 0.016 | 38.837 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | SER | 0 | -0.038 | -0.013 | 43.118 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | VAL | 0 | 0.031 | 0.004 | 42.258 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | GLY | 0 | 0.039 | 0.020 | 44.606 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | CYS | 0 | -0.038 | 0.019 | 44.615 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | ALA | 0 | 0.043 | 0.002 | 45.658 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | ASP | -1 | -0.906 | -0.969 | 47.407 | 6.443 | 6.443 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | GLY | 0 | -0.014 | -0.010 | 49.864 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | THR | 0 | -0.074 | -0.030 | 48.753 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | ILE | 0 | -0.015 | -0.006 | 49.020 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | SER | 0 | -0.002 | 0.001 | 46.522 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | ILE | 0 | -0.026 | -0.002 | 47.386 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | TRP | 0 | 0.010 | -0.003 | 42.506 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | ARG | 1 | 0.865 | 0.926 | 44.111 | -6.681 | -6.681 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | GLN | 0 | -0.030 | 0.008 | 37.539 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | ASN | 0 | -0.070 | -0.038 | 41.519 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | ILE | 0 | 0.032 | 0.019 | 41.517 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | GLN | 0 | -0.046 | -0.023 | 41.145 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | ASN | 0 | 0.011 | 0.001 | 36.852 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | ASP | -1 | -0.814 | -0.918 | 33.987 | 9.191 | 9.191 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | GLU | -1 | -0.943 | -0.966 | 35.454 | 9.023 | 9.023 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | PHE | 0 | 0.023 | -0.017 | 37.388 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | GLY | 0 | 0.015 | 0.020 | 40.749 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | LEU | 0 | -0.037 | -0.021 | 43.963 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | ALA | 0 | -0.031 | -0.012 | 46.512 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | HIS | 0 | -0.003 | -0.024 | 49.490 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | GLU | -1 | -0.837 | -0.904 | 48.934 | 6.672 | 6.672 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | PHE | 0 | -0.057 | -0.018 | 51.829 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | THR | 0 | 0.033 | 0.000 | 53.394 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | ILE | 0 | 0.020 | 0.027 | 55.486 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | LYS | 1 | 0.928 | 0.966 | 57.736 | -5.469 | -5.469 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | LYS | 1 | 0.928 | 0.955 | 59.460 | -5.156 | -5.156 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | GLY | 0 | 0.017 | 0.017 | 59.873 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | PHE | 0 | -0.047 | -0.032 | 55.633 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | PHE | 0 | -0.011 | -0.003 | 53.720 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | TYR | 0 | 0.028 | 0.020 | 48.412 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | PRO | 0 | -0.061 | -0.012 | 48.300 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | LEU | 0 | -0.013 | -0.026 | 47.362 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | CYS | 0 | -0.057 | -0.005 | 46.352 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | LEU | 0 | 0.019 | 0.002 | 45.905 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | SER | 0 | 0.006 | 0.009 | 46.554 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | LEU | 0 | 0.011 | 0.005 | 45.640 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | SER | 0 | 0.008 | 0.005 | 48.292 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | LYS | 1 | 0.983 | 0.994 | 48.395 | -6.581 | -6.581 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | VAL | 0 | -0.051 | -0.006 | 50.942 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | GLU | -1 | -0.809 | -0.928 | 54.567 | 5.433 | 5.433 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | GLU | -1 | -0.954 | -0.980 | 51.439 | 6.316 | 6.316 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | LYS | 1 | 0.930 | 0.968 | 50.657 | -6.360 | -6.360 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | LYS | 1 | 0.931 | 0.982 | 53.372 | -5.470 | -5.470 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | TYR | 0 | 0.020 | 0.007 | 47.719 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | LEU | 0 | -0.007 | -0.013 | 52.695 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | LEU | 0 | -0.016 | -0.012 | 49.452 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | ALA | 0 | -0.027 | 0.005 | 51.494 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | ILE | 0 | 0.004 | -0.015 | 51.142 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | GLY | 0 | 0.053 | 0.018 | 51.325 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | GLY | 0 | 0.084 | 0.021 | 50.878 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | THR | 0 | 0.003 | 0.035 | 52.238 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | ASN | 0 | -0.055 | -0.057 | 54.529 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | VAL | 0 | 0.039 | 0.042 | 56.883 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | ASN | 0 | -0.024 | -0.011 | 59.399 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | VAL | 0 | -0.009 | -0.009 | 55.230 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | PHE | 0 | -0.042 | -0.014 | 56.336 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | ILE | 0 | 0.009 | 0.009 | 55.810 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | ALA | 0 | 0.010 | 0.002 | 55.058 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | SER | 0 | 0.003 | -0.010 | 55.911 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | PHE | 0 | -0.019 | -0.002 | 49.920 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | ILE | 0 | 0.029 | 0.019 | 55.409 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | LEU | 0 | -0.056 | -0.037 | 48.639 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | SER | 0 | 0.019 | 0.012 | 52.947 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | ASP | -1 | -0.852 | -0.928 | 52.008 | 6.206 | 6.206 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | SER | 0 | -0.098 | -0.047 | 49.427 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | GLY | 0 | 0.065 | 0.033 | 50.424 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | ILE | 0 | -0.002 | -0.007 | 51.025 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | GLU | -1 | -0.909 | -0.946 | 53.691 | 5.502 | 5.502 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | LYS | 1 | 0.951 | 0.955 | 57.376 | -5.188 | -5.188 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | CYS | 0 | 0.020 | 0.022 | 55.378 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | ARG | 1 | 0.795 | 0.916 | 57.591 | -5.239 | -5.239 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | VAL | 0 | 0.022 | 0.000 | 58.107 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | VAL | 0 | -0.059 | -0.025 | 59.778 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | ALA | 0 | -0.020 | -0.013 | 61.088 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | GLU | -1 | -0.907 | -0.961 | 60.729 | 5.183 | 5.183 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | LEU | 0 | -0.048 | -0.016 | 58.176 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | GLU | -1 | -0.889 | -0.931 | 60.711 | 4.873 | 4.873 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | GLY | 0 | -0.029 | -0.042 | 62.646 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | HIS | 0 | -0.072 | -0.007 | 56.278 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | GLU | -1 | -0.939 | -0.965 | 59.928 | 4.933 | 4.933 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | ASP | -1 | -0.849 | -0.926 | 56.528 | 5.561 | 5.561 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | TRP | 0 | -0.051 | -0.034 | 51.627 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | VAL | 0 | 0.003 | 0.003 | 52.149 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | LYS | 1 | 0.834 | 0.918 | 47.646 | -6.385 | -6.385 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | SER | 0 | 0.045 | 0.012 | 47.058 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | LEU | 0 | -0.021 | -0.015 | 48.044 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | ALA | 0 | 0.033 | 0.020 | 47.100 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | PHE | 0 | 0.004 | -0.005 | 48.637 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | ARG | 1 | 0.832 | 0.940 | 48.497 | -6.042 | -6.042 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | HIS | 0 | 0.047 | 0.010 | 45.298 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | GLN | 0 | -0.052 | -0.028 | 49.924 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | GLU | -1 | -0.867 | -0.928 | 51.672 | 6.019 | 6.019 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | THR | 0 | 0.005 | 0.004 | 52.883 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | PRO | 0 | -0.048 | -0.035 | 56.156 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | GLY | 0 | 0.045 | 0.016 | 56.817 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | ASP | -1 | -0.888 | -0.946 | 57.701 | 5.208 | 5.208 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | TYR | 0 | -0.001 | 0.004 | 53.427 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | LEU | 0 | 0.026 | 0.011 | 54.112 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | LEU | 0 | -0.043 | -0.016 | 52.185 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | CYS | 0 | -0.042 | 0.007 | 50.278 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | SER | 0 | 0.011 | -0.028 | 51.914 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | GLY | 0 | 0.058 | 0.018 | 51.256 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | SER | 0 | -0.022 | 0.009 | 51.939 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | GLN | 0 | 0.019 | 0.000 | 51.267 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | ASP | -1 | -0.747 | -0.881 | 53.678 | 5.479 | 5.479 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | ARG | 1 | 0.870 | 0.940 | 54.192 | -5.472 | -5.472 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | TYR | 0 | -0.017 | 0.010 | 55.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | ILE | 0 | 0.000 | -0.002 | 51.490 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | ARG | 1 | 0.883 | 0.962 | 55.320 | -5.313 | -5.313 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | LEU | 0 | 0.017 | 0.019 | 54.787 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | TRP | 0 | -0.044 | -0.040 | 56.484 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | ARG | 1 | 0.906 | 0.963 | 57.603 | -5.038 | -5.038 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | ILE | 0 | -0.051 | -0.029 | 55.679 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | ARG | 1 | 0.984 | 1.001 | 59.429 | -4.948 | -4.948 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | ILE | 0 | 0.042 | 0.019 | 58.549 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | ASN | 0 | 0.014 | 0.014 | 62.261 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | ASP | -1 | -0.920 | -0.968 | 63.879 | 4.943 | 4.943 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | LEU | 0 | -0.049 | -0.010 | 65.358 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | ILE | 0 | -0.060 | -0.037 | 67.218 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 255 | SER | 0 | 0.001 | -0.015 | 71.596 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 256 | ASN | 0 | 0.019 | 0.015 | 70.337 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 257 | LYS | 1 | 0.968 | 0.980 | 67.983 | -4.722 | -4.722 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 258 | GLN | 0 | -0.033 | -0.040 | 66.183 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 259 | TYR | 0 | -0.007 | 0.004 | 63.836 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 260 | LYS | 1 | 0.913 | 0.967 | 64.524 | -4.612 | -4.612 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 261 | PHE | 0 | 0.024 | 0.014 | 59.542 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 262 | GLN | 0 | -0.032 | -0.008 | 64.629 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 263 | ILE | 0 | 0.012 | 0.006 | 57.884 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 264 | ASP | -1 | -0.790 | -0.920 | 61.309 | 5.289 | 5.289 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 265 | ASP | -1 | -0.995 | -0.998 | 63.830 | 4.860 | 4.860 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 266 | GLU | -1 | -0.947 | -0.959 | 62.909 | 5.069 | 5.069 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 267 | LEU | 0 | -0.038 | 0.000 | 58.614 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 268 | ARG | 1 | 0.927 | 0.956 | 63.175 | -4.698 | -4.698 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 269 | VAL | 0 | 0.033 | 0.024 | 59.710 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 270 | GLY | 0 | -0.044 | -0.039 | 62.734 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 271 | ILE | 0 | 0.024 | 0.032 | 58.905 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 272 | ASN | 0 | -0.058 | -0.038 | 62.334 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 273 | PHE | 0 | 0.003 | 0.012 | 61.437 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 274 | GLU | -1 | -0.913 | -0.965 | 60.169 | 5.234 | 5.234 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 275 | ALA | 0 | 0.023 | 0.015 | 59.377 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 276 | LEU | 0 | -0.039 | -0.021 | 59.538 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 277 | ILE | 0 | 0.011 | 0.010 | 55.193 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 278 | MET | 0 | -0.010 | -0.013 | 51.247 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 279 | GLY | 0 | 0.063 | 0.027 | 56.179 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 280 | HIS | 0 | -0.103 | -0.057 | 56.395 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 281 | ASP | -1 | -0.782 | -0.891 | 51.538 | 5.857 | 5.857 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 282 | ASP | -1 | -0.875 | -0.935 | 50.570 | 6.172 | 6.172 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 283 | TRP | 0 | -0.048 | -0.054 | 48.783 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 284 | ILE | 0 | -0.005 | 0.006 | 49.207 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 285 | SER | 0 | -0.102 | -0.054 | 44.260 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 286 | SER | 0 | 0.000 | -0.017 | 43.021 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 287 | LEU | 0 | -0.019 | -0.013 | 45.071 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 288 | GLN | 0 | -0.025 | -0.005 | 40.629 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 289 | TRP | 0 | 0.019 | -0.005 | 44.847 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 290 | HIS | 0 | 0.003 | 0.009 | 44.075 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 291 | GLU | -1 | -0.980 | -0.965 | 42.822 | 7.131 | 7.131 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 292 | SER | 0 | 0.000 | -0.022 | 43.845 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 293 | ARG | 1 | 0.946 | 0.957 | 47.230 | -6.254 | -6.254 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 294 | LEU | 0 | 0.006 | 0.007 | 49.067 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 295 | GLN | 0 | 0.017 | 0.007 | 48.512 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 296 | LEU | 0 | -0.026 | -0.014 | 48.425 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 297 | LEU | 0 | -0.001 | 0.020 | 42.364 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 298 | ALA | 0 | 0.018 | -0.005 | 46.811 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 299 | ALA | 0 | -0.020 | -0.002 | 43.483 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 300 | THR | 0 | 0.002 | -0.024 | 45.544 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 301 | ALA | 0 | 0.028 | 0.010 | 45.658 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 302 | ASP | -1 | -0.763 | -0.857 | 47.215 | 6.247 | 6.247 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 303 | THR | 0 | -0.117 | -0.054 | 42.930 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 304 | SER | 0 | 0.100 | 0.061 | 45.370 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 305 | LEU | 0 | -0.056 | -0.038 | 41.740 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 306 | MET | 0 | -0.039 | -0.020 | 45.818 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 307 | VAL | 0 | 0.030 | 0.022 | 46.739 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 308 | TRP | 0 | -0.013 | -0.004 | 49.395 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 309 | GLU | -1 | -0.761 | -0.900 | 52.141 | 6.121 | 6.121 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 310 | PRO | 0 | -0.024 | -0.010 | 54.180 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 311 | ASP | -1 | -0.793 | -0.900 | 57.562 | 5.191 | 5.191 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 312 | GLU | -1 | -0.961 | -0.975 | 58.682 | 5.344 | 5.344 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 313 | THR | 0 | -0.093 | -0.041 | 60.388 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 314 | SER | 0 | -0.067 | -0.058 | 63.917 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 315 | GLY | 0 | 0.002 | 0.012 | 61.617 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 316 | ILE | 0 | -0.042 | -0.019 | 61.365 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 317 | TRP | 0 | 0.005 | 0.007 | 53.306 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 318 | VAL | 0 | -0.002 | -0.013 | 57.188 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 319 | CYS | 0 | -0.069 | -0.023 | 53.040 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 320 | SER | 0 | -0.016 | -0.008 | 51.791 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 321 | LEU | 0 | 0.007 | -0.002 | 45.816 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 322 | ARG | 1 | 0.892 | 0.943 | 48.912 | -6.061 | -6.061 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 323 | LEU | 0 | -0.025 | -0.011 | 42.897 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 324 | GLY | 0 | -0.029 | -0.018 | 43.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 325 | GLU | -1 | -0.969 | -0.980 | 44.531 | 6.132 | 6.132 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 339 | GLY | 0 | -0.041 | -0.040 | 42.798 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 340 | GLY | 0 | 0.035 | 0.033 | 43.606 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 341 | PHE | 0 | -0.078 | -0.039 | 39.975 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 342 | TRP | 0 | 0.007 | 0.020 | 39.306 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 343 | SER | 0 | 0.031 | 0.007 | 37.666 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 344 | CYS | 0 | -0.029 | -0.007 | 39.531 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 345 | LEU | 0 | -0.016 | 0.008 | 34.922 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 346 | TRP | 0 | 0.053 | 0.013 | 38.874 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 347 | PHE | 0 | -0.024 | 0.002 | 33.780 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 348 | THR | 0 | 0.065 | 0.033 | 38.229 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 349 | HIS | 0 | -0.035 | -0.026 | 32.453 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 350 | GLU | -1 | -0.906 | -0.961 | 35.009 | 8.721 | 8.721 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 351 | ARG | 1 | 0.879 | 0.932 | 38.029 | -7.530 | -7.530 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 352 | MET | 0 | 0.012 | 0.034 | 37.009 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 353 | ASP | -1 | -0.904 | -0.949 | 40.112 | 7.308 | 7.308 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 354 | PHE | 0 | 0.010 | -0.010 | 35.094 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 355 | PHE | 0 | 0.030 | 0.011 | 38.725 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 356 | LEU | 0 | -0.016 | -0.018 | 33.817 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 357 | THR | 0 | 0.006 | -0.015 | 36.932 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 358 | ASN | 0 | 0.082 | 0.073 | 34.919 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 359 | GLY | 0 | 0.028 | 0.012 | 36.254 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 360 | LYS | 1 | 0.944 | 0.969 | 36.938 | -7.056 | -7.056 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 361 | THR | 0 | -0.059 | -0.046 | 34.282 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 362 | GLY | 0 | 0.048 | 0.041 | 32.524 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 363 | SER | 0 | -0.048 | -0.022 | 31.599 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 364 | TRP | 0 | -0.017 | -0.002 | 30.513 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 365 | ARG | 1 | 0.896 | 0.944 | 33.187 | -7.746 | -7.746 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 366 | MET | 0 | 0.009 | 0.007 | 32.545 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 367 | TRP | 0 | 0.009 | 0.007 | 36.385 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 368 | ALA | 0 | 0.012 | 0.015 | 37.647 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 369 | THR | 0 | 0.002 | -0.008 | 39.741 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 370 | LYS | 1 | 0.865 | 0.947 | 42.994 | -6.309 | -6.309 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 371 | ASP | -1 | -0.854 | -0.949 | 44.484 | 6.354 | 6.354 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 372 | ASN | 0 | -0.020 | 0.006 | 47.068 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 373 | ILE | 0 | -0.048 | -0.015 | 48.949 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 374 | ILE | 0 | -0.026 | -0.023 | 45.065 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 375 | CYS | 0 | 0.000 | -0.014 | 43.152 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 376 | ASP | -1 | -0.877 | -0.927 | 38.499 | 7.890 | 7.890 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 377 | GLN | 0 | -0.035 | -0.020 | 36.870 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 378 | ARG | 1 | 0.906 | 0.950 | 33.637 | -8.427 | -8.427 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 379 | LEU | 0 | -0.023 | -0.018 | 27.909 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 380 | GLY | 0 | 0.035 | 0.028 | 30.990 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 381 | ILE | 0 | -0.064 | -0.011 | 26.460 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 382 | SER | 0 | -0.039 | -0.066 | 27.252 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 383 | GLY | 0 | 0.027 | 0.002 | 26.573 | 0.483 | 0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 384 | ALA | 0 | -0.013 | 0.010 | 27.166 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 385 | THR | 0 | 0.005 | -0.004 | 29.127 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 386 | LYS | 1 | 0.955 | 0.970 | 31.217 | -8.265 | -8.265 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 387 | ASP | -1 | -0.818 | -0.905 | 28.310 | 10.070 | 10.070 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 388 | VAL | 0 | -0.020 | -0.009 | 23.774 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 389 | THR | 0 | -0.077 | -0.041 | 25.976 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 390 | ASP | -1 | -0.817 | -0.918 | 24.649 | 11.133 | 11.133 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 391 | ILE | 0 | -0.037 | -0.019 | 18.556 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 392 | ALA | 0 | -0.022 | -0.017 | 21.958 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 393 | TRP | 0 | 0.008 | -0.006 | 15.418 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 394 | SER | 0 | 0.011 | 0.034 | 21.096 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 395 | PRO | 0 | 0.004 | 0.000 | 21.680 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 396 | SER | 0 | 0.003 | -0.008 | 21.582 | 0.471 | 0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 397 | GLY | 0 | -0.029 | -0.018 | 18.487 | 0.619 | 0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 398 | GLU | -1 | -0.917 | -0.956 | 18.256 | 12.528 | 12.528 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 399 | TYR | 0 | -0.069 | -0.066 | 20.649 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 400 | LEU | 0 | -0.046 | -0.014 | 18.384 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 401 | LEU | 0 | 0.000 | 0.004 | 21.648 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 402 | ALA | 0 | 0.036 | 0.007 | 23.384 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 403 | THR | 0 | 0.016 | 0.022 | 25.323 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 404 | SER | 0 | 0.028 | 0.008 | 27.680 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 405 | LEU | 0 | 0.034 | 0.017 | 29.931 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 406 | ASP | -1 | -0.909 | -0.959 | 32.056 | 8.908 | 8.908 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 407 | GLN | 0 | -0.035 | -0.008 | 33.981 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 408 | THR | 0 | -0.072 | -0.042 | 31.367 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 409 | THR | 0 | 0.013 | -0.016 | 29.024 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 410 | ARG | 1 | 0.812 | 0.921 | 27.015 | -9.892 | -9.892 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 411 | LEU | 0 | 0.033 | 0.024 | 25.122 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 412 | PHE | 0 | -0.008 | -0.017 | 21.677 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 413 | ALA | 0 | 0.030 | 0.011 | 21.092 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 414 | PRO | 0 | -0.023 | -0.004 | 18.363 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 415 | TRP | 0 | 0.019 | -0.014 | 20.534 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 416 | ILE | 0 | -0.071 | -0.030 | 19.470 | 0.487 | 0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 417 | TYR | 0 | -0.013 | 0.005 | 21.839 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 418 | ASP | -1 | -0.764 | -0.893 | 25.180 | 10.202 | 10.202 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 419 | ALA | 0 | 0.024 | -0.006 | 28.181 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 420 | SER | 0 | -0.114 | -0.056 | 30.424 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 421 | GLY | 0 | 0.032 | 0.019 | 28.813 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 422 | ARG | 1 | 0.938 | 0.983 | 24.998 | -10.997 | -10.997 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 423 | LYS | 1 | 0.920 | 0.965 | 18.859 | -14.114 | -14.114 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 424 | ARG | 1 | 0.878 | 0.933 | 22.103 | -11.626 | -11.626 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 425 | GLU | -1 | -0.949 | -0.964 | 19.294 | 14.245 | 14.245 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 426 | ILE | 0 | 0.023 | 0.010 | 16.783 | 0.974 | 0.974 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 427 | ALA | 0 | -0.060 | -0.021 | 17.417 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 428 | THR | 0 | 0.018 | 0.012 | 18.108 | 0.474 | 0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 429 | TRP | 0 | 0.026 | 0.013 | 15.640 | -0.611 | -0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 430 | HIS | 1 | 0.836 | 0.913 | 20.855 | -11.987 | -11.987 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 431 | GLU | -1 | -0.705 | -0.803 | 24.388 | 10.061 | 10.061 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 432 | PHE | 0 | 0.007 | -0.022 | 24.156 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 433 | SER | 0 | -0.021 | -0.019 | 28.309 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 434 | ARG | 1 | 0.805 | 0.877 | 29.566 | -8.748 | -8.748 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 435 | PRO | 0 | -0.042 | -0.010 | 30.345 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 436 | GLN | 0 | 0.063 | 0.021 | 33.222 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 437 | ILE | 0 | -0.020 | -0.006 | 34.074 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 438 | HIS | 0 | 0.001 | -0.001 | 36.600 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 439 | GLY | 0 | 0.008 | -0.001 | 36.604 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 440 | TYR | 0 | -0.019 | -0.013 | 36.894 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 441 | ASP | -1 | -0.888 | -0.954 | 35.518 | 8.210 | 8.210 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 442 | MET | 0 | -0.016 | 0.021 | 32.592 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 443 | ILE | 0 | 0.007 | 0.005 | 30.608 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 444 | CYS | 0 | -0.092 | -0.029 | 28.603 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 445 | VAL | 0 | -0.036 | -0.021 | 26.948 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 446 | GLU | -1 | -0.790 | -0.870 | 25.073 | 11.512 | 11.512 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 447 | THR | 0 | -0.042 | -0.044 | 24.406 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 448 | VAL | 0 | 0.003 | 0.013 | 27.459 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 449 | THR | 0 | 0.013 | -0.009 | 28.817 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 450 | ASP | -1 | -0.786 | -0.902 | 25.416 | 11.040 | 11.040 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 451 | THR | 0 | -0.079 | -0.028 | 27.892 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 452 | ARG | 1 | 0.919 | 0.947 | 30.715 | -8.152 | -8.152 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 453 | PHE | 0 | -0.050 | -0.007 | 29.398 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 454 | VAL | 0 | 0.020 | 0.012 | 30.899 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 455 | SER | 0 | 0.006 | -0.011 | 31.141 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 456 | GLY | 0 | 0.053 | 0.017 | 32.951 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 457 | GLY | 0 | 0.006 | -0.006 | 33.690 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 458 | ASP | -1 | -0.790 | -0.882 | 35.762 | 7.740 | 7.740 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 459 | GLU | -1 | -0.867 | -0.927 | 38.834 | 7.165 | 7.165 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 460 | LYS | 1 | 0.829 | 0.935 | 40.226 | -6.833 | -6.833 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 461 | ILE | 0 | -0.048 | -0.026 | 40.442 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 462 | LEU | 0 | -0.024 | -0.007 | 34.977 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 463 | ARG | 1 | 0.834 | 0.911 | 36.997 | -7.398 | -7.398 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 464 | SER | 0 | 0.013 | 0.017 | 35.064 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 465 | PHE | 0 | -0.026 | -0.016 | 34.328 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 466 | ASP | -1 | -0.747 | -0.858 | 34.395 | 8.073 | 8.073 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 467 | LEU | 0 | -0.016 | 0.002 | 30.119 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 468 | PRO | 0 | -0.019 | -0.003 | 33.954 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 469 | LYS | 1 | 0.998 | 0.977 | 35.462 | -7.243 | -7.243 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 470 | GLY | 0 | -0.019 | -0.014 | 36.351 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 471 | VAL | 0 | 0.068 | 0.021 | 30.940 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 472 | ALA | 0 | 0.032 | 0.030 | 31.585 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 473 | GLY | 0 | -0.001 | -0.002 | 31.640 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 474 | MET | 0 | -0.051 | -0.014 | 30.646 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 475 | LEU | 0 | 0.040 | 0.007 | 26.181 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 476 | GLN | 0 | 0.014 | 0.014 | 27.223 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 477 | LYS | 1 | 0.844 | 0.940 | 28.703 | -8.498 | -8.498 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 478 | PHE | 0 | -0.012 | -0.013 | 26.833 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 479 | VAL | 0 | -0.015 | -0.008 | 22.375 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 480 | GLY | 0 | -0.013 | -0.003 | 23.253 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 481 | ILE | 0 | -0.007 | 0.014 | 24.077 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 482 | GLN | 0 | -0.012 | -0.008 | 26.297 | -0.669 | -0.669 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 483 | PHE | 0 | -0.003 | 0.006 | 28.724 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 533 | LEU | 0 | -0.031 | -0.029 | 34.176 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 534 | GLU | -1 | -0.881 | -0.951 | 33.813 | 8.391 | 8.391 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 535 | CYS | 0 | -0.047 | -0.017 | 30.351 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 536 | PRO | 0 | -0.050 | -0.016 | 26.976 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 537 | PRO | 0 | 0.012 | 0.021 | 29.563 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 538 | MET | 0 | 0.073 | 0.041 | 31.726 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 539 | GLU | -1 | -0.716 | -0.845 | 33.328 | 8.715 | 8.715 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 540 | ASP | -1 | -0.921 | -0.966 | 35.117 | 7.254 | 7.254 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 541 | GLN | 0 | 0.029 | 0.003 | 35.817 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 542 | LEU | 0 | 0.010 | 0.001 | 30.901 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 543 | GLN | 0 | -0.076 | -0.044 | 34.821 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 544 | ARG | 1 | 0.874 | 0.936 | 37.618 | -7.246 | -7.246 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 545 | HIS | 0 | -0.006 | 0.007 | 38.342 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 546 | LEU | 0 | -0.065 | -0.024 | 32.741 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 547 | LEU | 0 | 0.037 | 0.028 | 34.624 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 548 | TRP | 0 | -0.020 | -0.016 | 29.635 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 549 | PRO | 0 | -0.027 | -0.003 | 36.418 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 550 | GLU | -1 | -0.793 | -0.905 | 38.811 | 7.091 | 7.091 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 551 | VAL | 0 | -0.040 | -0.015 | 38.412 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 552 | GLU | -1 | -0.892 | -0.946 | 39.690 | 6.763 | 6.763 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 553 | LYS | 1 | 0.803 | 0.889 | 40.520 | -6.602 | -6.602 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 554 | LEU | 0 | 0.021 | 0.021 | 38.905 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 555 | TYR | 0 | 0.026 | 0.007 | 41.770 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 556 | GLY | 0 | 0.020 | 0.011 | 42.165 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 557 | HIS | 0 | 0.010 | -0.030 | 42.930 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 558 | GLY | 0 | 0.005 | 0.002 | 45.434 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 559 | PHE | 0 | -0.071 | -0.025 | 41.784 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 560 | GLU | -1 | -0.838 | -0.903 | 38.677 | 7.424 | 7.424 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 561 | ILE | 0 | 0.003 | 0.002 | 34.064 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 562 | THR | 0 | -0.060 | -0.040 | 32.750 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 563 | CYS | 0 | -0.044 | -0.010 | 28.912 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 564 | LEU | 0 | 0.041 | -0.002 | 29.393 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 565 | ASP | -1 | -0.827 | -0.904 | 26.182 | 11.044 | 11.044 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 566 | ILE | 0 | -0.006 | 0.000 | 27.782 | -0.444 | -0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 567 | SER | 0 | -0.061 | -0.051 | 27.973 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 568 | PRO | 0 | 0.058 | 0.018 | 26.298 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 569 | ASP | -1 | -0.837 | -0.879 | 27.799 | 8.851 | 8.851 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 570 | GLN | 0 | -0.019 | -0.023 | 27.462 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 571 | LYS | 1 | 0.838 | 0.914 | 31.337 | -8.121 | -8.121 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 572 | LEU | 0 | -0.021 | -0.007 | 33.411 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 573 | ILE | 0 | 0.000 | 0.004 | 32.786 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 574 | ALA | 0 | 0.027 | 0.009 | 32.105 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 575 | SER | 0 | -0.003 | -0.003 | 32.748 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 576 | ALA | 0 | 0.044 | 0.020 | 33.137 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 577 | CYS | 0 | -0.043 | -0.017 | 35.077 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 578 | ARG | 1 | 0.807 | 0.887 | 35.659 | -7.854 | -7.854 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 579 | SER | 0 | -0.053 | -0.078 | 38.670 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 580 | ASN | 0 | 0.055 | 0.030 | 41.936 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 581 | ASN | 0 | -0.046 | -0.036 | 44.167 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 582 | VAL | 0 | -0.021 | 0.004 | 45.796 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 583 | GLN | 0 | -0.010 | 0.001 | 46.137 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 584 | ASN | 0 | -0.018 | 0.026 | 42.173 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 585 | ALA | 0 | -0.004 | -0.008 | 37.900 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 586 | VAL | 0 | -0.039 | -0.018 | 39.247 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 587 | ILE | 0 | -0.009 | 0.004 | 34.459 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 588 | ARG | 1 | 0.857 | 0.954 | 37.847 | -7.109 | -7.109 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 589 | ILE | 0 | 0.051 | 0.037 | 35.960 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 590 | PHE | 0 | 0.014 | 0.007 | 37.560 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 591 | SER | 0 | 0.043 | 0.029 | 37.537 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 592 | THR | 0 | -0.016 | -0.017 | 34.137 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 593 | GLU | -1 | -0.897 | -0.921 | 37.573 | 7.282 | 7.282 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 594 | ASN | 0 | -0.003 | -0.024 | 40.441 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 595 | TRP | 0 | 0.021 | 0.018 | 35.974 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 596 | LEU | 0 | -0.038 | -0.007 | 41.864 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 597 | GLU | -1 | -0.971 | -1.002 | 42.271 | 6.884 | 6.884 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 598 | ILE | 0 | -0.005 | -0.010 | 40.274 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 599 | LYS | 1 | 0.934 | 0.964 | 42.985 | -6.223 | -6.223 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 600 | PRO | 0 | 0.000 | 0.004 | 43.403 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 601 | ALA | 0 | 0.016 | 0.023 | 42.165 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 602 | LEU | 0 | 0.015 | 0.010 | 37.030 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 603 | PRO | 0 | 0.016 | 0.003 | 40.594 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 604 | PHE | 0 | 0.029 | 0.004 | 35.609 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 605 | HIS | 0 | -0.057 | -0.023 | 40.729 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 606 | SER | 0 | 0.002 | -0.013 | 37.320 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 607 | LEU | 0 | 0.040 | 0.022 | 38.784 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 608 | THR | 0 | 0.004 | -0.014 | 33.601 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 609 | ILE | 0 | 0.042 | 0.026 | 31.692 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 610 | THR | 0 | -0.082 | -0.071 | 28.590 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 611 | ARG | 1 | 0.907 | 0.934 | 23.764 | -10.903 | -10.903 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 612 | LEU | 0 | 0.007 | 0.014 | 28.033 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 613 | LYS | 1 | 0.928 | 0.959 | 21.206 | -11.927 | -11.927 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 614 | PHE | 0 | 0.016 | 0.026 | 26.705 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 615 | SER | 0 | -0.049 | -0.021 | 25.665 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 616 | LYS | 1 | 0.971 | 0.974 | 18.749 | -13.793 | -13.793 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 617 | ASP | -1 | -0.833 | -0.911 | 24.760 | 9.946 | 9.946 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 618 | GLY | 0 | -0.016 | -0.008 | 28.124 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 619 | LYS | 1 | 0.921 | 0.965 | 30.127 | -9.439 | -9.439 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 620 | PHE | 0 | 0.027 | 0.010 | 29.995 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 621 | LEU | 0 | 0.002 | 0.012 | 30.166 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 622 | LEU | 0 | -0.007 | -0.016 | 25.478 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 623 | SER | 0 | -0.001 | 0.002 | 29.408 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 624 | VAL | 0 | 0.021 | 0.014 | 26.896 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 625 | CYS | 0 | 0.026 | 0.027 | 30.123 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 626 | ARG | 1 | 1.011 | 0.983 | 31.798 | -8.581 | -8.581 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 627 | ASP | -1 | -0.879 | -0.939 | 33.358 | 8.244 | 8.244 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 628 | ARG | 1 | 0.855 | 0.920 | 31.815 | -8.473 | -8.473 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 629 | LYS | 1 | 0.929 | 0.987 | 32.195 | -7.565 | -7.565 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 630 | TRP | 0 | 0.038 | 0.011 | 28.963 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 631 | ALA | 0 | -0.037 | -0.026 | 31.618 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 632 | LEU | 0 | -0.009 | 0.001 | 28.900 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 633 | TRP | 0 | -0.011 | -0.015 | 32.838 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 634 | GLU | -1 | -0.896 | -0.955 | 34.336 | 8.144 | 8.144 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 635 | ARG | 1 | 0.851 | 0.927 | 33.109 | -8.597 | -8.597 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 636 | ASN | 0 | 0.034 | 0.017 | 36.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 637 | MET | 0 | -0.061 | -0.052 | 34.136 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 638 | GLU | -1 | -0.963 | -0.964 | 38.590 | 6.810 | 6.810 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 639 | ASP | -1 | -0.923 | -0.969 | 42.214 | 6.509 | 6.509 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 640 | ASN | 0 | -0.005 | 0.015 | 38.147 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 641 | THR | 0 | 0.000 | 0.007 | 40.066 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 642 | PHE | 0 | -0.010 | -0.025 | 34.495 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 643 | GLU | -1 | -0.910 | -0.941 | 39.065 | 6.731 | 6.731 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 644 | LEU | 0 | -0.093 | -0.036 | 37.046 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 645 | ARG | 1 | 0.890 | 0.944 | 36.151 | -8.073 | -8.073 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 646 | PHE | 0 | -0.024 | -0.002 | 33.321 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 647 | LYS | 1 | 0.968 | 0.980 | 34.501 | -7.357 | -7.357 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 648 | ASN | 0 | 0.068 | 0.040 | 31.424 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 649 | GLU | -1 | -0.891 | -0.956 | 34.034 | 7.716 | 7.716 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 650 | LYS | 1 | 0.814 | 0.901 | 34.291 | -8.713 | -8.713 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 651 | PRO | 0 | 0.000 | 0.046 | 29.129 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 652 | HIS | 0 | 0.057 | 0.038 | 24.538 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 653 | THR | 0 | -0.063 | -0.042 | 29.776 | -0.495 | -0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 654 | ARG | 1 | 0.873 | 0.916 | 29.840 | -9.572 | -9.572 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 655 | ILE | 0 | 0.045 | 0.031 | 29.113 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 656 | ILE | 0 | -0.002 | 0.050 | 26.123 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 657 | TRP | 0 | -0.076 | -0.033 | 24.674 | -0.548 | -0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 658 | ASP | -1 | -0.742 | -0.856 | 20.887 | 12.616 | 12.616 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 659 | ALA | 0 | -0.041 | -0.034 | 22.340 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 660 | ASP | -1 | -0.791 | -0.890 | 18.067 | 14.114 | 14.114 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 661 | TRP | 0 | -0.025 | -0.008 | 20.864 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 662 | ALA | 0 | 0.008 | 0.009 | 17.625 | 0.609 | 0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 663 | PRO | 0 | -0.008 | -0.016 | 15.866 | -0.809 | -0.809 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 664 | LEU | 0 | 0.049 | 0.012 | 19.145 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 665 | GLU | -1 | -0.975 | -0.974 | 18.414 | 14.764 | 14.764 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 666 | PHE | 0 | 0.001 | -0.002 | 16.195 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 667 | GLY | 0 | -0.021 | -0.015 | 19.306 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 668 | ASN | 0 | -0.009 | 0.012 | 22.785 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 669 | VAL | 0 | 0.030 | 0.002 | 20.049 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 670 | PHE | 0 | -0.002 | 0.010 | 21.804 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 671 | VAL | 0 | -0.005 | -0.002 | 17.846 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 672 | THR | 0 | -0.006 | -0.021 | 21.115 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 673 | ALA | 0 | 0.061 | 0.033 | 20.497 | 0.459 | 0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 674 | SER | 0 | 0.048 | 0.016 | 22.490 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 675 | ARG | 1 | 0.959 | 0.958 | 24.744 | -9.277 | -9.277 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 676 | ASP | -1 | -0.905 | -0.948 | 26.252 | 10.927 | 10.927 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 677 | LYS | 1 | 0.909 | 0.957 | 23.607 | -11.180 | -11.180 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 678 | THR | 0 | -0.081 | -0.047 | 21.979 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 679 | VAL | 0 | 0.039 | 0.025 | 17.479 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 680 | LYS | 1 | 0.855 | 0.939 | 20.479 | -11.290 | -11.290 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 681 | VAL | 0 | 0.042 | 0.029 | 18.345 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 682 | TRP | 0 | 0.024 | -0.006 | 21.543 | -0.590 | -0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 683 | ARG | 1 | 0.883 | 0.922 | 20.478 | -12.666 | -12.666 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 684 | HIS | 0 | -0.090 | -0.042 | 25.345 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 685 | GLN | 0 | 0.029 | 0.019 | 28.431 | 0.481 | 0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 686 | LYS | 1 | 0.957 | 0.963 | 30.969 | -9.008 | -9.008 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 687 | GLU | -1 | -0.934 | -0.958 | 31.679 | 9.183 | 9.183 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 688 | PRO | 0 | -0.040 | 0.011 | 35.414 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 689 | ALA | 0 | -0.036 | -0.044 | 36.273 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 690 | ASP | -1 | -0.790 | -0.892 | 35.020 | 8.581 | 8.581 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 691 | ASP | -1 | -0.849 | -0.949 | 33.531 | 8.645 | 8.645 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 692 | TYR | 0 | -0.090 | -0.042 | 26.947 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 693 | VAL | 0 | 0.008 | 0.016 | 28.229 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 694 | LEU | 0 | -0.073 | -0.046 | 24.772 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 695 | GLU | -1 | -0.776 | -0.831 | 21.188 | 13.179 | 13.179 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 696 | ALA | 0 | 0.023 | 0.006 | 19.997 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 697 | SER | 0 | -0.009 | -0.024 | 21.348 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 698 | ILE | 0 | 0.003 | 0.028 | 15.517 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 699 | LYS | 1 | 0.916 | 0.958 | 19.755 | -11.788 | -11.788 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 700 | HIS | 0 | 0.063 | 0.052 | 16.683 | 1.265 | 1.265 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 701 | THR | 0 | 0.064 | 0.022 | 20.526 | -0.770 | -0.770 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 702 | LYS | 1 | 0.942 | 0.969 | 21.890 | -12.450 | -12.450 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 703 | ALA | 0 | -0.042 | -0.022 | 22.846 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 704 | VAL | 0 | 0.041 | 0.029 | 19.110 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 705 | THR | 0 | -0.104 | -0.088 | 21.205 | -0.551 | -0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 706 | ALA | 0 | 0.015 | 0.018 | 18.834 | -0.440 | -0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 707 | ILE | 0 | -0.039 | -0.029 | 16.379 | 0.636 | 0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 708 | SER | 0 | -0.003 | 0.019 | 14.672 | -0.456 | -0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 709 | ILE | 0 | -0.025 | -0.029 | 13.894 | 1.341 | 1.341 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 710 | HIS | 0 | 0.009 | 0.011 | 10.536 | -0.781 | -0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 711 | ASP | -1 | -0.834 | -0.916 | 13.236 | 14.236 | 14.236 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 712 | SER | 0 | -0.026 | -0.018 | 12.998 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 713 | MET | 0 | 0.019 | 0.017 | 12.577 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 714 | ILE | 0 | -0.036 | -0.028 | 6.426 | 0.613 | 0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 715 | ARG | 1 | 0.951 | 0.965 | 2.721 | -59.034 | -57.287 | 0.161 | -0.846 | -1.062 | 0.005 |
639 | A | 716 | GLU | -1 | -0.872 | -0.931 | 9.658 | 18.840 | 18.840 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 717 | LYS | 1 | 0.877 | 0.957 | 9.269 | -28.107 | -28.107 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 718 | ILE | 0 | 0.010 | 0.021 | 11.721 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 719 | LEU | 0 | -0.010 | -0.005 | 6.586 | 1.321 | 1.321 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 720 | ILE | 0 | 0.000 | -0.009 | 9.982 | -1.651 | -1.651 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 721 | SER | 0 | 0.005 | 0.020 | 10.833 | 1.225 | 1.225 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 722 | VAL | 0 | 0.002 | -0.015 | 12.159 | -1.494 | -1.494 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 723 | GLY | 0 | 0.048 | 0.024 | 14.833 | 0.769 | 0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 724 | LEU | 0 | -0.020 | -0.025 | 17.363 | -0.820 | -0.820 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 725 | GLU | -1 | -0.998 | -1.029 | 20.005 | 11.225 | 11.225 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 726 | ASN | 0 | 0.020 | 0.016 | 20.726 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 727 | GLY | 0 | 0.075 | 0.046 | 20.072 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 728 | GLU | -1 | -0.896 | -0.959 | 16.438 | 16.435 | 16.435 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 729 | ILE | 0 | 0.017 | -0.008 | 11.634 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 730 | TYR | 0 | -0.060 | -0.025 | 11.178 | 1.292 | 1.292 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 731 | LEU | 0 | 0.009 | 0.008 | 5.797 | -1.133 | -1.133 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 732 | TYR | 0 | -0.013 | -0.026 | 8.164 | 1.983 | 1.983 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 733 | SER | 0 | -0.019 | -0.011 | 7.351 | 0.668 | 0.668 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 734 | TYR | 0 | -0.011 | -0.051 | 9.267 | -0.483 | -0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 735 | THR | 0 | 0.042 | 0.006 | 13.012 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 736 | LEU | 0 | 0.017 | 0.010 | 15.257 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 737 | GLY | 0 | 0.015 | 0.011 | 19.019 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 738 | LYS | 1 | 0.812 | 0.889 | 14.538 | -20.179 | -20.179 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 739 | PHE | 0 | -0.010 | -0.005 | 13.771 | 0.604 | 0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 740 | GLU | -1 | -0.880 | -0.921 | 9.727 | 23.842 | 23.842 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 741 | LEU | 0 | -0.031 | 0.003 | 9.003 | 0.851 | 0.851 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 742 | ILE | 0 | -0.012 | -0.004 | 3.380 | 0.908 | 1.544 | 0.069 | -0.251 | -0.453 | 0.001 |
666 | A | 743 | THR | 0 | 0.010 | -0.023 | 5.351 | 2.024 | 2.119 | -0.001 | -0.006 | -0.088 | 0.000 |
667 | A | 744 | GLN | 0 | 0.010 | 0.017 | 7.687 | -1.453 | -1.453 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 745 | LEU | 0 | -0.043 | -0.019 | 8.863 | 0.823 | 0.823 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 746 | ASN | 0 | 0.063 | 0.021 | 10.838 | -2.307 | -2.307 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 747 | GLU | -1 | -0.878 | -0.934 | 13.127 | 14.789 | 14.789 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 748 | ASP | -1 | -0.876 | -0.926 | 16.295 | 16.150 | 16.150 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 749 | ILE | 0 | -0.073 | -0.037 | 11.122 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 750 | THR | 0 | -0.054 | 0.009 | 14.147 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 751 | PRO | 0 | -0.033 | -0.017 | 16.352 | -0.575 | -0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 752 | ALA | 0 | 0.027 | 0.001 | 19.639 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 753 | ASP | -1 | -0.824 | -0.908 | 22.373 | 10.474 | 10.474 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 754 | LYS | 1 | 0.924 | 0.958 | 22.176 | -10.452 | -10.452 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 755 | ILE | 0 | -0.038 | 0.012 | 17.601 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 756 | THR | 0 | -0.106 | -0.058 | 21.006 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 757 | ARG | 1 | 0.916 | 0.961 | 20.840 | -12.110 | -12.110 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 758 | LEU | 0 | -0.013 | 0.010 | 14.080 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 759 | ARG | 1 | 0.825 | 0.890 | 16.113 | -12.911 | -12.911 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 760 | TRP | 0 | 0.026 | 0.018 | 7.477 | 0.971 | 0.971 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 761 | SER | 0 | -0.009 | 0.009 | 13.445 | -1.111 | -1.111 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 762 | HIS | 0 | -0.012 | -0.004 | 14.155 | 0.765 | 0.765 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 763 | LEU | 0 | -0.015 | 0.012 | 15.828 | 0.439 | 0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 764 | LYS | 1 | 0.872 | 0.938 | 11.505 | -19.015 | -19.015 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 765 | ARG | 1 | 0.964 | 0.980 | 12.491 | -17.271 | -17.271 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 766 | ASN | 0 | -0.034 | -0.025 | 11.898 | 0.689 | 0.689 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 767 | GLY | 0 | 0.028 | 0.019 | 9.590 | 1.040 | 1.040 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 768 | LYS | 1 | 0.887 | 0.942 | 7.600 | -20.682 | -20.682 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 769 | LEU | 0 | -0.018 | -0.005 | 6.913 | -2.225 | -2.225 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 770 | PHE | 0 | 0.038 | -0.002 | 8.923 | 0.864 | 0.864 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 771 | LEU | 0 | -0.024 | -0.005 | 10.534 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 772 | GLY | 0 | 0.018 | 0.010 | 12.258 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 773 | VAL | 0 | -0.013 | -0.025 | 14.655 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 774 | GLY | 0 | 0.064 | 0.041 | 17.412 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 775 | SER | 0 | 0.008 | 0.001 | 21.005 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 776 | SER | 0 | 0.059 | 0.012 | 22.803 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 777 | ASP | -1 | -0.869 | -0.921 | 22.333 | 12.661 | 12.661 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 778 | LEU | 0 | -0.016 | 0.032 | 24.912 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 779 | SER | 0 | -0.051 | -0.032 | 21.758 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 780 | THR | 0 | -0.002 | -0.014 | 20.389 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 781 | ARG | 1 | 0.845 | 0.914 | 16.469 | -14.979 | -14.979 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 782 | ILE | 0 | -0.019 | -0.006 | 13.722 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 783 | TYR | 0 | -0.025 | -0.054 | 9.806 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 784 | SER | 0 | -0.056 | -0.025 | 8.766 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 785 | LEU | 0 | 0.017 | 0.000 | 2.340 | -0.011 | 0.425 | 1.718 | -0.832 | -1.322 | 0.006 |
709 | A | 786 | ALA | 0 | -0.006 | 0.006 | 3.377 | -3.936 | -3.298 | 0.012 | -0.149 | -0.501 | 0.000 |
710 | A | 787 | TYR | 0 | -0.015 | -0.014 | 2.302 | 4.671 | 5.110 | 3.060 | -1.683 | -1.816 | -0.021 |
711 | A | 788 | GLU | -1 | -0.950 | -0.962 | 4.658 | 28.396 | 28.531 | -0.001 | -0.006 | -0.129 | 0.000 |