FMODB ID: KGQV3
Calculation Name: 4PEQ-B-Xray372
Preferred Name: Ribonuclease pancreatic
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 4PEQ
Chain ID: B
ChEMBL ID: CHEMBL6091
UniProt ID: P61823
Base Structure: X-ray
Registration Date: 2023-09-23
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 | 456 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7630324.169863 |
---|---|
FMO2-HF: Nuclear repulsion | 7453716.105377 |
FMO2-HF: Total energy | -176608.064486 |
FMO2-MP2: Total energy | -177105.110327 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(B:1:MET)
Summations of interaction energy for
fragment #1(B:1:MET)
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. |
-3.339 | 3.353 | 5.696 | -4.562 | -7.824 | -0.032 |
Interaction energy analysis for fragmet #1(B:1:MET)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | B | 3 | LEU | 0 | -0.021 | -0.004 | 3.807 | -0.189 | 2.286 | -0.032 | -1.254 | -1.188 | 0.000 |
4 | B | 4 | ASP | -1 | -0.917 | -0.964 | 6.445 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 5 | ILE | 0 | -0.003 | 0.005 | 9.860 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 6 | GLN | 0 | -0.039 | -0.042 | 13.006 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 7 | CYS | 0 | -0.035 | -0.009 | 16.408 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 8 | GLU | -1 | -0.933 | -0.971 | 15.934 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 9 | GLN | 0 | 0.020 | 0.011 | 18.556 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 10 | LEU | 0 | -0.002 | 0.008 | 15.169 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 11 | SER | 0 | 0.003 | -0.003 | 19.046 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 12 | ASP | -1 | -0.805 | -0.911 | 19.431 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 13 | ALA | 0 | -0.040 | -0.022 | 19.575 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 14 | ARG | 1 | 0.990 | 0.994 | 15.253 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 15 | TRP | 0 | 0.021 | 0.004 | 14.700 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 16 | THR | 0 | -0.008 | -0.017 | 15.174 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 17 | GLU | -1 | -0.985 | -0.995 | 13.693 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 18 | LEU | 0 | 0.003 | 0.006 | 9.716 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 19 | LEU | 0 | 0.006 | 0.017 | 10.314 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 20 | PRO | 0 | 0.007 | 0.002 | 10.287 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 21 | LEU | 0 | -0.016 | -0.010 | 5.832 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 22 | ILE | 0 | 0.003 | 0.007 | 6.915 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 23 | GLN | 0 | -0.052 | -0.023 | 9.453 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 24 | GLN | 0 | -0.053 | -0.019 | 5.965 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 25 | TYR | 0 | -0.049 | -0.023 | 2.885 | -2.924 | -1.039 | 0.980 | -0.830 | -2.036 | -0.009 |
26 | B | 26 | GLU | -1 | -0.881 | -0.928 | 2.831 | 0.022 | 1.786 | 4.748 | -2.325 | -4.186 | -0.023 |
27 | B | 27 | VAL | 0 | -0.013 | 0.002 | 3.781 | -0.046 | 0.466 | 0.001 | -0.147 | -0.366 | 0.000 |
28 | B | 28 | VAL | 0 | 0.011 | -0.003 | 5.763 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 29 | ARG | 1 | 0.795 | 0.887 | 8.774 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 30 | LEU | 0 | -0.012 | -0.010 | 11.473 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 31 | ASP | -1 | -0.746 | -0.857 | 14.049 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 32 | ASP | -1 | -0.855 | -0.938 | 17.083 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 33 | CYS | 0 | -0.084 | -0.025 | 16.351 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 34 | GLY | 0 | 0.017 | 0.011 | 19.030 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 35 | LEU | 0 | -0.072 | -0.038 | 16.257 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 36 | THR | 0 | 0.048 | 0.012 | 20.887 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 37 | GLU | -1 | -0.863 | -0.947 | 22.670 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 38 | VAL | 0 | -0.054 | -0.031 | 24.116 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 39 | ARG | 1 | 0.860 | 0.922 | 18.996 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 40 | CYS | 0 | -0.013 | 0.018 | 19.278 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 41 | LYS | 1 | 0.940 | 0.981 | 20.082 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 42 | ASP | -1 | -0.877 | -0.942 | 17.672 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 43 | ILE | 0 | -0.003 | -0.001 | 14.664 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 44 | GLY | 0 | 0.061 | 0.037 | 15.719 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 45 | SER | 0 | -0.037 | -0.030 | 17.674 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 46 | ALA | 0 | -0.016 | -0.006 | 12.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 47 | LEU | 0 | -0.004 | -0.018 | 11.964 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 48 | GLN | 0 | -0.025 | 0.007 | 14.031 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 49 | ALA | 0 | -0.081 | -0.038 | 14.021 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 50 | ASN | 0 | -0.024 | -0.009 | 7.304 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 51 | ALA | 0 | -0.009 | -0.006 | 10.790 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 52 | SER | 0 | -0.071 | -0.049 | 5.640 | -0.066 | -0.010 | -0.001 | -0.006 | -0.048 | 0.000 |
53 | B | 53 | LEU | 0 | -0.043 | -0.007 | 7.043 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 54 | THR | 0 | -0.028 | -0.017 | 6.654 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 55 | GLU | -1 | -0.837 | -0.899 | 7.946 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 56 | LEU | 0 | -0.002 | -0.004 | 9.140 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 57 | SER | 0 | -0.072 | -0.050 | 11.890 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 58 | LEU | 0 | 0.002 | -0.010 | 13.995 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 59 | ARG | 1 | 0.967 | 1.010 | 16.945 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 60 | THR | 0 | -0.002 | -0.005 | 19.299 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 61 | ASN | 0 | 0.019 | 0.014 | 18.290 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 62 | GLU | -1 | -0.922 | -0.950 | 22.515 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 63 | LEU | 0 | -0.057 | -0.035 | 20.058 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 64 | GLY | 0 | 0.048 | 0.024 | 24.295 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 65 | ASP | -1 | -0.749 | -0.880 | 26.461 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 66 | GLY | 0 | -0.011 | 0.004 | 27.661 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 67 | GLY | 0 | 0.061 | 0.001 | 24.240 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 68 | VAL | 0 | 0.018 | 0.010 | 22.608 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 69 | LEU | 0 | -0.022 | 0.005 | 22.844 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 70 | LEU | 0 | -0.038 | -0.032 | 22.574 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 71 | VAL | 0 | 0.017 | 0.005 | 17.506 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 72 | LEU | 0 | -0.002 | -0.013 | 18.971 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 73 | GLN | 0 | -0.078 | -0.046 | 20.941 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 74 | GLY | 0 | 0.015 | 0.008 | 18.290 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 75 | LEU | 0 | -0.019 | -0.004 | 14.965 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 76 | GLN | 0 | -0.032 | -0.019 | 17.783 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 77 | SER | 0 | 0.044 | 0.021 | 17.093 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 78 | PRO | 0 | -0.048 | -0.022 | 18.421 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 79 | THR | 0 | -0.026 | -0.025 | 14.427 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 80 | CYS | 0 | -0.025 | 0.028 | 13.768 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 81 | LYS | 1 | 0.955 | 0.984 | 8.160 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 82 | ILE | 0 | 0.009 | 0.005 | 11.761 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 83 | GLN | 0 | -0.048 | -0.028 | 10.918 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 84 | LYS | 1 | 0.933 | 0.977 | 10.266 | 0.568 | 0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 85 | LEU | 0 | 0.048 | 0.024 | 12.849 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 86 | SER | 0 | 0.002 | 0.006 | 15.388 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 87 | LEU | 0 | 0.035 | -0.007 | 17.135 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 88 | GLN | 0 | -0.043 | -0.008 | 19.797 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 89 | ASN | 0 | 0.009 | 0.005 | 21.745 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 90 | CYS | 0 | -0.021 | -0.016 | 21.652 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 91 | CYS | 0 | -0.040 | -0.012 | 24.452 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 92 | LEU | 0 | -0.022 | 0.007 | 25.172 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 93 | THR | 0 | 0.004 | -0.033 | 28.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 94 | GLU | -1 | -0.905 | -0.972 | 31.019 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 95 | ALA | 0 | -0.061 | -0.022 | 33.121 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 96 | GLY | 0 | -0.005 | 0.008 | 29.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 97 | CYS | 0 | -0.067 | -0.032 | 28.590 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 98 | GLY | 0 | 0.001 | 0.004 | 29.744 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 99 | VAL | 0 | 0.009 | -0.007 | 25.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 100 | LEU | 0 | 0.013 | 0.016 | 24.428 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 101 | PRO | 0 | 0.018 | 0.010 | 25.942 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 102 | GLY | 0 | 0.008 | 0.004 | 27.430 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 103 | VAL | 0 | 0.062 | 0.029 | 21.380 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 104 | LEU | 0 | -0.027 | -0.019 | 22.085 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 105 | ARG | 1 | 0.820 | 0.897 | 23.550 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 106 | SER | 0 | -0.069 | -0.029 | 22.060 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 107 | LEU | 0 | -0.023 | -0.006 | 17.321 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 108 | PRO | 0 | 0.089 | 0.022 | 19.942 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 109 | THR | 0 | -0.055 | -0.044 | 14.997 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 110 | LEU | 0 | -0.041 | -0.004 | 16.055 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 111 | ARG | 1 | 0.873 | 0.918 | 15.734 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 112 | GLU | -1 | -0.899 | -0.949 | 15.315 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 113 | LEU | 0 | -0.008 | -0.006 | 16.964 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 114 | HIS | 0 | 0.046 | 0.026 | 17.320 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 115 | LEU | 0 | -0.002 | -0.028 | 20.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 116 | SER | 0 | 0.054 | 0.033 | 23.347 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 117 | ASP | -1 | -0.840 | -0.921 | 24.707 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 118 | ASN | 0 | -0.047 | -0.024 | 23.889 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 119 | PRO | 0 | -0.015 | 0.009 | 28.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 120 | LEU | 0 | 0.001 | -0.007 | 27.257 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 121 | GLY | 0 | 0.089 | 0.040 | 31.361 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 122 | ASP | -1 | -0.751 | -0.822 | 34.013 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 123 | ALA | 0 | -0.041 | -0.015 | 35.799 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 124 | GLY | 0 | 0.094 | 0.026 | 32.173 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 125 | LEU | 0 | -0.038 | 0.001 | 30.389 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 126 | ARG | 1 | 0.943 | 0.951 | 31.753 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 127 | LEU | 0 | 0.026 | 0.026 | 31.506 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 128 | LEU | 0 | 0.036 | 0.020 | 25.501 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 129 | CYS | 0 | -0.041 | -0.028 | 28.683 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 130 | GLU | -1 | -0.980 | -0.984 | 30.954 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 131 | GLY | 0 | -0.045 | -0.027 | 27.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 132 | LEU | 0 | -0.043 | -0.022 | 24.948 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 133 | LEU | 0 | -0.026 | 0.006 | 28.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 134 | ASP | -1 | -0.895 | -0.940 | 29.271 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 135 | PRO | 0 | -0.074 | -0.057 | 30.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 136 | ARG | 1 | 0.825 | 0.908 | 20.665 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 137 | CYM | -1 | -0.868 | -0.795 | 23.085 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 138 | ARG | 1 | 0.914 | 0.911 | 21.971 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 139 | LEU | 0 | -0.050 | -0.023 | 20.044 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 140 | GLU | -1 | -0.950 | -0.977 | 18.755 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 141 | LYS | 1 | 0.948 | 0.982 | 17.692 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 142 | LEU | 0 | 0.009 | 0.009 | 20.846 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 143 | GLN | 0 | -0.049 | -0.041 | 20.601 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 144 | LEU | 0 | -0.015 | -0.032 | 23.897 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 145 | GLU | -1 | -0.840 | -0.925 | 26.190 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 146 | TYR | 0 | 0.041 | 0.029 | 27.990 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 147 | CYS | 0 | -0.045 | -0.012 | 28.058 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 148 | SER | 0 | -0.058 | -0.032 | 30.737 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 149 | LEU | 0 | -0.054 | -0.011 | 31.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 150 | THR | 0 | 0.035 | -0.042 | 35.383 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 151 | ALA | 0 | 0.035 | -0.002 | 38.056 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 152 | ALA | 0 | -0.062 | -0.016 | 40.069 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 153 | SER | 0 | 0.003 | -0.037 | 34.751 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 154 | CYS | 0 | -0.033 | -0.002 | 35.612 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 155 | GLU | -1 | -0.907 | -0.948 | 37.257 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 156 | PRO | 0 | -0.068 | -0.036 | 34.965 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 157 | LEU | 0 | 0.091 | 0.036 | 30.118 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 158 | ALA | 0 | -0.006 | 0.016 | 33.501 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 159 | ALA | 0 | -0.071 | -0.041 | 35.958 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 160 | VAL | 0 | 0.018 | 0.008 | 29.271 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 161 | LEU | 0 | 0.000 | -0.003 | 30.535 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 162 | ARG | 1 | 0.873 | 0.957 | 32.783 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 163 | ALA | 0 | -0.051 | -0.011 | 32.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 164 | THR | 0 | 0.001 | 0.015 | 27.634 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 165 | ARG | 1 | 0.953 | 0.954 | 28.895 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 166 | ASP | -1 | -0.924 | -0.970 | 23.845 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 167 | LEU | 0 | -0.023 | 0.000 | 24.263 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 168 | LYS | 1 | 0.897 | 0.947 | 22.033 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 169 | GLU | -1 | -0.861 | -0.916 | 21.926 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 170 | LEU | 0 | -0.010 | -0.001 | 24.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 171 | VAL | 0 | 0.018 | 0.009 | 24.902 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 172 | VAL | 0 | -0.003 | -0.013 | 27.274 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 173 | SER | 0 | 0.072 | 0.041 | 29.526 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 174 | ASN | 0 | 0.005 | 0.020 | 30.395 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 175 | ASN | 0 | -0.042 | -0.041 | 30.758 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 176 | ASP | -1 | -0.911 | -0.936 | 34.820 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 177 | ILE | 0 | -0.035 | -0.031 | 35.145 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 178 | GLY | 0 | 0.049 | 0.023 | 38.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 179 | GLU | -1 | -0.883 | -0.897 | 41.217 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 180 | ALA | 0 | 0.005 | -0.012 | 43.295 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 181 | GLY | 0 | 0.062 | 0.025 | 39.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 182 | VAL | 0 | 0.056 | 0.016 | 37.673 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 183 | GLN | 0 | 0.038 | 0.037 | 39.426 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 184 | ALA | 0 | -0.042 | -0.024 | 40.290 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 185 | LEU | 0 | -0.015 | -0.013 | 34.113 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 186 | CYS | 0 | -0.028 | -0.010 | 36.953 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 187 | ARG | 1 | 0.901 | 0.938 | 38.848 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 188 | GLY | 0 | 0.012 | 0.008 | 37.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 189 | LEU | 0 | 0.011 | -0.006 | 32.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 190 | ALA | 0 | -0.034 | -0.013 | 35.947 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 191 | GLU | -1 | -0.967 | -0.977 | 39.088 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 192 | SER | 0 | -0.008 | -0.008 | 33.217 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 193 | ALA | 0 | -0.041 | -0.023 | 33.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 194 | CYS | 0 | -0.111 | -0.037 | 29.112 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 195 | GLN | 0 | -0.007 | -0.007 | 28.317 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 196 | LEU | 0 | 0.012 | 0.007 | 27.503 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 197 | GLU | -1 | -0.941 | -0.969 | 23.466 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 198 | THR | 0 | -0.022 | -0.014 | 24.926 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 199 | LEU | 0 | -0.014 | -0.002 | 27.104 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 200 | LYS | 1 | 0.939 | 0.970 | 25.357 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 201 | LEU | 0 | -0.008 | -0.023 | 30.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 202 | GLU | -1 | -0.870 | -0.927 | 30.964 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 203 | ASN | 0 | -0.005 | -0.018 | 33.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 204 | CYS | 0 | -0.048 | -0.009 | 34.605 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 205 | GLY | 0 | 0.022 | 0.013 | 37.089 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 206 | LEU | 0 | -0.071 | -0.030 | 37.597 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 207 | THR | 0 | -0.033 | -0.064 | 41.401 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 208 | ALA | 0 | 0.032 | -0.008 | 44.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 209 | ALA | 0 | -0.033 | -0.014 | 46.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 210 | ASN | 0 | 0.034 | 0.019 | 41.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 211 | CYS | 0 | -0.011 | 0.021 | 42.374 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 212 | LYS | 1 | 0.894 | 0.948 | 43.536 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 213 | ASP | -1 | -0.887 | -0.947 | 42.088 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 214 | LEU | 0 | 0.021 | -0.009 | 37.205 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 215 | CYS | 0 | -0.085 | -0.007 | 39.856 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 216 | GLY | 0 | 0.010 | -0.002 | 41.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 217 | ILE | 0 | -0.022 | -0.003 | 35.810 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 218 | VAL | 0 | 0.034 | 0.009 | 36.523 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 219 | ALA | 0 | -0.037 | -0.010 | 37.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 220 | SER | 0 | -0.075 | -0.024 | 38.504 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 221 | GLN | 0 | 0.057 | 0.044 | 32.361 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 222 | ALA | 0 | 0.008 | 0.000 | 34.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 223 | SER | 0 | -0.066 | -0.044 | 29.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 224 | LEU | 0 | -0.015 | 0.002 | 29.458 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 225 | LYS | 1 | 0.826 | 0.905 | 27.252 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 226 | ASP | -1 | -0.839 | -0.916 | 26.716 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 227 | LEU | 0 | 0.001 | 0.004 | 29.279 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 228 | ASP | -1 | -0.832 | -0.932 | 30.345 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 229 | LEU | 0 | -0.031 | -0.026 | 32.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 230 | GLY | 0 | 0.051 | 0.041 | 34.518 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 231 | SER | 0 | 0.020 | 0.010 | 36.067 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 232 | ASN | 0 | -0.013 | -0.023 | 36.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 233 | ARG | 1 | 0.945 | 0.995 | 40.600 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 234 | LEU | 0 | -0.035 | -0.020 | 40.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 235 | GLY | 0 | 0.041 | 0.018 | 44.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 236 | ASP | -1 | -0.783 | -0.896 | 46.760 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 237 | ALA | 0 | -0.057 | -0.028 | 48.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 238 | GLY | 0 | 0.065 | 0.022 | 46.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 239 | LEU | 0 | 0.014 | 0.010 | 42.446 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 240 | ALA | 0 | -0.008 | -0.013 | 45.206 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 241 | GLU | -1 | -0.927 | -0.969 | 47.178 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 242 | LEU | 0 | 0.017 | 0.021 | 39.482 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 243 | CYS | 0 | -0.020 | -0.021 | 43.082 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 244 | PRO | 0 | -0.042 | -0.020 | 44.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 245 | GLY | 0 | 0.072 | 0.030 | 42.387 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 246 | LEU | 0 | -0.024 | -0.018 | 38.217 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 247 | LEU | 0 | -0.022 | -0.009 | 40.918 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 248 | SER | 0 | -0.017 | 0.015 | 41.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 249 | PRO | 0 | -0.014 | -0.021 | 41.115 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 250 | SER | 0 | -0.046 | -0.037 | 38.588 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 251 | SER | 0 | 0.033 | 0.034 | 36.879 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 252 | GLN | 0 | -0.032 | -0.030 | 33.798 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 253 | LEU | 0 | 0.028 | 0.019 | 32.329 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 254 | ARG | 1 | 0.929 | 0.974 | 27.683 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 255 | THR | 0 | 0.024 | 0.005 | 29.072 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 256 | LEU | 0 | -0.039 | -0.010 | 31.466 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 257 | TRP | 0 | -0.012 | -0.004 | 28.137 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 258 | LEU | 0 | -0.020 | -0.027 | 34.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 259 | TRP | 0 | 0.025 | 0.018 | 33.169 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 260 | GLU | -1 | -0.905 | -0.954 | 38.149 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 261 | CYS | 0 | -0.056 | -0.022 | 39.441 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 262 | ASP | -1 | -0.890 | -0.957 | 42.168 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 263 | LEU | 0 | -0.069 | -0.026 | 42.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 264 | THR | 0 | -0.026 | -0.050 | 46.479 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 265 | VAL | 0 | 0.016 | -0.003 | 48.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 266 | SER | 0 | -0.050 | -0.019 | 50.391 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 267 | GLY | 0 | 0.065 | 0.034 | 47.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 268 | CYS | 0 | -0.014 | 0.008 | 45.925 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 269 | ARG | 1 | 0.953 | 0.973 | 46.956 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 270 | GLU | -1 | -0.930 | -0.964 | 47.974 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 271 | LEU | 0 | 0.037 | 0.011 | 40.840 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 272 | CYS | 0 | -0.048 | -0.025 | 44.184 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 273 | ARG | 1 | 0.866 | 0.941 | 46.174 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 274 | VAL | 0 | -0.008 | -0.008 | 40.661 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 275 | LEU | 0 | 0.019 | 0.001 | 39.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 276 | GLN | 0 | -0.053 | -0.030 | 42.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 277 | ALA | 0 | -0.020 | -0.001 | 44.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 278 | LYS | 1 | 0.787 | 0.902 | 39.103 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 279 | GLU | -1 | -0.872 | -0.938 | 38.376 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 280 | ALA | 0 | -0.066 | -0.035 | 33.839 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 281 | LEU | 0 | -0.010 | 0.006 | 33.563 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 282 | LYS | 1 | 0.863 | 0.934 | 31.119 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 283 | GLU | -1 | -0.876 | -0.929 | 28.357 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 284 | LEU | 0 | 0.008 | 0.007 | 32.881 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 285 | SER | 0 | 0.009 | 0.018 | 34.383 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 286 | LEU | 0 | -0.013 | -0.023 | 36.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 287 | ALA | 0 | 0.022 | 0.017 | 37.369 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 288 | GLY | 0 | 0.058 | 0.032 | 39.337 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 289 | ASN | 0 | -0.029 | -0.010 | 41.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 290 | SER | 0 | 0.003 | -0.007 | 44.283 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 291 | LEU | 0 | -0.022 | -0.008 | 43.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 292 | GLY | 0 | 0.037 | 0.022 | 48.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 293 | ASP | -1 | -0.763 | -0.891 | 49.619 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 294 | GLU | -1 | -0.903 | -0.962 | 51.516 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 295 | GLY | 0 | 0.017 | 0.009 | 48.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 296 | ALA | 0 | 0.017 | 0.009 | 46.787 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 297 | GLN | 0 | -0.021 | -0.004 | 47.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 298 | LEU | 0 | -0.019 | -0.008 | 49.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 299 | LEU | 0 | 0.032 | 0.003 | 43.045 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 300 | CYS | 0 | -0.060 | -0.028 | 45.396 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 301 | GLU | -1 | -0.918 | -0.963 | 46.965 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 302 | SER | 0 | -0.006 | -0.017 | 45.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 303 | LEU | 0 | 0.006 | 0.005 | 40.558 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 304 | LEU | 0 | -0.040 | -0.002 | 44.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 305 | GLN | 0 | -0.063 | -0.018 | 46.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 306 | PRO | 0 | -0.026 | -0.014 | 44.739 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 307 | GLY | 0 | 0.018 | 0.013 | 43.151 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 308 | CYS | 0 | -0.051 | 0.004 | 41.215 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 309 | GLN | 0 | -0.048 | -0.030 | 36.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 310 | LEU | 0 | -0.025 | -0.012 | 35.917 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 311 | GLU | -1 | -0.933 | -0.979 | 31.125 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 312 | SER | 0 | -0.008 | 0.005 | 31.655 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 313 | LEU | 0 | 0.011 | 0.005 | 34.122 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 314 | TRP | 0 | -0.011 | -0.012 | 29.427 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 315 | VAL | 0 | -0.008 | -0.023 | 36.548 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 316 | LYS | 1 | 1.047 | 1.025 | 35.979 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 317 | SER | 0 | -0.003 | -0.005 | 39.778 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 318 | CYS | 0 | -0.026 | 0.011 | 42.690 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 319 | GLY | 0 | -0.016 | -0.006 | 44.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 320 | PHE | 0 | -0.029 | -0.024 | 43.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 321 | THR | 0 | 0.026 | -0.019 | 48.390 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 322 | ALA | 0 | 0.056 | 0.006 | 50.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 323 | ALA | 0 | -0.059 | -0.016 | 51.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 324 | CYS | 0 | -0.041 | -0.003 | 48.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 325 | CYS | 0 | 0.001 | 0.008 | 48.641 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 326 | GLN | 0 | -0.024 | -0.001 | 49.377 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 327 | HIS | 0 | 0.031 | 0.012 | 50.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 328 | PHE | 0 | 0.092 | 0.029 | 43.403 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 329 | SER | 0 | -0.019 | -0.003 | 46.193 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 330 | SER | 0 | 0.005 | -0.015 | 47.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 331 | MET | 0 | -0.008 | 0.013 | 42.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 332 | LEU | 0 | 0.017 | -0.005 | 41.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 333 | THR | 0 | -0.059 | -0.017 | 43.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 334 | GLN | 0 | -0.095 | -0.052 | 46.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 335 | ASN | 0 | 0.000 | 0.008 | 40.470 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 336 | LYS | 1 | 0.826 | 0.908 | 40.288 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 337 | HIS | 0 | 0.011 | -0.002 | 36.987 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 338 | LEU | 0 | 0.015 | 0.005 | 35.740 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 339 | LEU | 0 | -0.042 | -0.020 | 31.480 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 340 | GLU | -1 | -0.810 | -0.900 | 30.746 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 341 | LEU | 0 | -0.013 | -0.002 | 34.592 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 342 | GLN | 0 | -0.011 | -0.006 | 33.722 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 343 | LEU | 0 | -0.001 | -0.020 | 37.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 344 | SER | 0 | 0.042 | 0.021 | 37.336 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 345 | SER | 0 | -0.037 | -0.037 | 40.027 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 346 | ASN | 0 | -0.068 | -0.037 | 42.528 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 347 | PRO | 0 | 0.052 | 0.044 | 45.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 348 | LEU | 0 | -0.036 | -0.038 | 44.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 349 | GLY | 0 | 0.057 | 0.026 | 48.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 350 | ASP | -1 | -0.761 | -0.879 | 48.968 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 351 | ALA | 0 | -0.055 | -0.030 | 50.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 352 | GLY | 0 | 0.069 | 0.016 | 49.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 353 | VAL | 0 | 0.056 | 0.024 | 44.611 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 354 | HIS | 0 | -0.013 | 0.008 | 46.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 355 | VAL | 0 | -0.028 | -0.021 | 49.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 356 | LEU | 0 | -0.004 | -0.005 | 43.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 357 | CYS | 0 | -0.030 | -0.010 | 45.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 358 | GLN | 0 | -0.048 | -0.025 | 46.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 359 | ALA | 0 | 0.003 | 0.016 | 45.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 360 | LEU | 0 | 0.023 | 0.005 | 40.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 361 | GLY | 0 | 0.005 | 0.012 | 43.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 362 | GLN | 0 | -0.086 | -0.042 | 45.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 363 | PRO | 0 | 0.037 | 0.018 | 44.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 364 | GLY | 0 | -0.022 | -0.022 | 42.795 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 365 | THR | 0 | -0.033 | -0.007 | 41.911 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 366 | VAL | 0 | 0.020 | -0.003 | 37.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 367 | LEU | 0 | -0.028 | 0.003 | 36.287 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 368 | ARG | 1 | 0.972 | 0.992 | 29.082 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 369 | VAL | 0 | 0.079 | 0.051 | 30.655 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 370 | LEU | 0 | 0.004 | 0.001 | 33.906 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 371 | TRP | 0 | -0.033 | -0.012 | 30.866 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 372 | VAL | 0 | -0.018 | -0.027 | 37.019 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 373 | GLY | 0 | 0.066 | 0.035 | 38.479 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 374 | ASP | -1 | -0.828 | -0.908 | 39.449 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 375 | CYS | 0 | -0.090 | -0.017 | 42.159 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 376 | GLU | -1 | -0.916 | -0.963 | 44.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 377 | LEU | 0 | -0.055 | -0.017 | 43.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 378 | THR | 0 | -0.025 | -0.040 | 46.807 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 379 | ASN | 0 | 0.067 | 0.005 | 47.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 380 | SER | 0 | -0.060 | -0.027 | 48.636 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 381 | SER | 0 | -0.027 | 0.004 | 46.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 382 | CYS | 0 | -0.006 | 0.001 | 44.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 383 | GLY | 0 | 0.034 | 0.044 | 46.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 384 | GLY | 0 | -0.016 | -0.017 | 47.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 385 | LEU | 0 | 0.039 | 0.014 | 42.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 386 | ALA | 0 | 0.058 | 0.030 | 42.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 387 | SER | 0 | -0.047 | -0.004 | 43.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 388 | LEU | 0 | 0.015 | -0.002 | 41.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 389 | LEU | 0 | -0.026 | -0.017 | 37.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 390 | LEU | 0 | -0.081 | -0.030 | 40.028 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 391 | ALA | 0 | -0.039 | -0.016 | 42.637 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 392 | SER | 0 | 0.003 | 0.022 | 39.667 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 393 | PRO | 0 | -0.036 | -0.005 | 39.834 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 394 | SER | 0 | -0.075 | -0.056 | 36.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 395 | LEU | 0 | -0.023 | -0.006 | 34.954 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 396 | ARG | 1 | 0.857 | 0.933 | 30.682 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 397 | GLU | -1 | -0.893 | -0.937 | 27.767 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 398 | LEU | 0 | -0.013 | -0.013 | 32.388 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 399 | ASP | -1 | -0.817 | -0.888 | 33.901 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 400 | LEU | 0 | -0.008 | -0.021 | 35.507 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 401 | SER | 0 | 0.016 | 0.003 | 34.945 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 402 | ASN | 0 | -0.050 | -0.028 | 37.327 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 403 | ASN | 0 | 0.002 | 0.007 | 40.124 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 404 | GLY | 0 | 0.031 | 0.024 | 43.144 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 405 | LEU | 0 | -0.076 | -0.041 | 41.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 406 | GLY | 0 | 0.059 | 0.015 | 44.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 407 | ASP | -1 | -0.783 | -0.864 | 44.971 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 408 | PRO | 0 | -0.050 | -0.030 | 45.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 409 | GLY | 0 | 0.027 | 0.000 | 45.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 410 | VAL | 0 | 0.086 | 0.036 | 40.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 411 | LEU | 0 | -0.015 | -0.013 | 42.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 412 | GLN | 0 | -0.054 | -0.032 | 44.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 413 | LEU | 0 | -0.016 | -0.001 | 39.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 414 | LEU | 0 | 0.017 | -0.004 | 38.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 415 | GLY | 0 | -0.004 | 0.019 | 41.057 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 416 | SER | 0 | -0.040 | -0.065 | 41.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 417 | LEU | 0 | 0.002 | 0.001 | 35.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 418 | GLU | -1 | -0.849 | -0.919 | 37.300 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 419 | GLN | 0 | -0.082 | -0.028 | 39.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 420 | PRO | 0 | -0.002 | -0.008 | 37.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 421 | ALA | 0 | -0.038 | -0.027 | 37.809 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 422 | CYS | 0 | -0.033 | 0.028 | 37.529 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 423 | SER | 0 | -0.032 | -0.033 | 33.595 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 424 | LEU | 0 | -0.009 | 0.000 | 32.912 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 425 | GLU | -1 | -0.901 | -0.953 | 27.693 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 426 | GLN | 0 | -0.005 | -0.007 | 25.598 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 427 | LEU | 0 | 0.005 | 0.006 | 30.416 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 428 | VAL | 0 | -0.031 | -0.009 | 31.065 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 429 | LEU | 0 | -0.020 | -0.023 | 33.295 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 430 | TYR | 0 | 0.065 | 0.018 | 28.013 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 431 | ASP | -1 | -0.892 | -0.951 | 34.845 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 432 | ILE | 0 | -0.066 | -0.007 | 37.826 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 433 | TYR | 0 | -0.034 | -0.024 | 39.338 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 434 | TRP | 0 | -0.053 | -0.040 | 35.471 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 435 | THR | 0 | -0.093 | -0.099 | 41.639 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 436 | GLU | -1 | -0.866 | -0.949 | 40.554 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 437 | ALA | 0 | -0.049 | -0.023 | 41.858 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 438 | VAL | 0 | -0.039 | -0.023 | 41.041 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 439 | ASP | -1 | -0.803 | -0.884 | 36.750 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 440 | GLU | -1 | -0.866 | -0.926 | 37.683 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 441 | ARG | 1 | 0.767 | 0.874 | 38.492 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 442 | LEU | 0 | -0.007 | -0.002 | 34.661 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 443 | ARG | 1 | 0.990 | 0.990 | 30.737 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 444 | ALA | 0 | -0.042 | -0.011 | 34.029 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 445 | VAL | 0 | -0.036 | -0.021 | 35.290 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 446 | GLU | -1 | -0.951 | -0.974 | 29.584 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 447 | GLU | -1 | -0.981 | -0.991 | 29.544 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 448 | SER | 0 | -0.103 | -0.035 | 31.531 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 449 | LYS | 1 | 0.823 | 0.914 | 32.011 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 450 | PRO | 0 | 0.069 | 0.031 | 26.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 451 | GLY | 0 | -0.096 | -0.046 | 26.670 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 452 | LEU | 0 | -0.019 | 0.002 | 28.224 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 453 | ARG | 1 | 0.931 | 0.968 | 24.132 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 454 | ILE | 0 | 0.044 | 0.014 | 28.738 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 455 | ILE | 0 | -0.031 | -0.011 | 27.295 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 456 | SER | 0 | 0.028 | 0.026 | 30.352 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |