FMODB ID: 5JG5Z
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 | OptAll |
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 | -7654385.495324 |
---|---|
FMO2-HF: Nuclear repulsion | 7477775.165613 |
FMO2-HF: Total energy | -176610.329711 |
FMO2-MP2: Total energy | -177107.49746 |
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. |
-13.482 | -9.487 | 10.096 | -4.989 | -9.104 | -0.042 |
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 | -0.015 | 0.008 | 3.878 | 0.669 | 2.278 | -0.015 | -0.737 | -0.858 | 0.000 |
4 | B | 4 | ASP | -1 | -0.818 | -0.904 | 5.952 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 5 | ILE | 0 | -0.006 | 0.004 | 9.394 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 6 | GLN | 0 | -0.039 | -0.038 | 12.548 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 7 | CYS | 0 | -0.057 | -0.032 | 16.070 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 8 | GLU | -1 | -0.940 | -0.970 | 15.820 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 9 | GLN | 0 | 0.017 | 0.003 | 18.190 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 10 | LEU | 0 | -0.002 | 0.009 | 14.352 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 11 | SER | 0 | 0.036 | 0.014 | 18.434 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 12 | ASP | -1 | -0.810 | -0.909 | 18.875 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 13 | ALA | 0 | -0.035 | -0.004 | 19.158 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 14 | ARG | 1 | 0.872 | 0.924 | 14.074 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 15 | TRP | 0 | -0.022 | -0.037 | 14.216 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 16 | THR | 0 | -0.027 | -0.032 | 14.576 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 17 | GLU | -1 | -0.885 | -0.930 | 12.969 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 18 | LEU | 0 | 0.019 | 0.011 | 9.089 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 19 | LEU | 0 | 0.001 | 0.018 | 9.880 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 20 | PRO | 0 | -0.006 | -0.010 | 10.070 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 21 | LEU | 0 | -0.013 | 0.004 | 5.244 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 22 | ILE | 0 | 0.015 | 0.001 | 6.685 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 23 | GLN | 0 | -0.035 | -0.012 | 9.145 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 24 | GLN | 0 | -0.055 | -0.013 | 5.861 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 25 | TYR | 0 | -0.014 | 0.001 | 2.288 | -2.426 | -3.577 | 7.770 | -2.130 | -4.490 | -0.016 |
26 | B | 26 | GLU | -1 | -0.801 | -0.899 | 2.383 | -11.965 | -8.795 | 2.341 | -2.034 | -3.476 | -0.026 |
27 | B | 27 | VAL | 0 | -0.022 | -0.002 | 4.393 | -0.232 | 0.135 | 0.000 | -0.088 | -0.280 | 0.000 |
28 | B | 28 | VAL | 0 | 0.008 | -0.004 | 5.853 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 29 | ARG | 1 | 0.785 | 0.885 | 8.674 | 0.540 | 0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 30 | LEU | 0 | 0.006 | -0.006 | 10.893 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 31 | ASP | -1 | -0.701 | -0.807 | 13.677 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 32 | ASP | -1 | -0.815 | -0.901 | 16.780 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 33 | CYS | 0 | -0.072 | -0.028 | 16.101 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 34 | GLY | 0 | 0.011 | 0.012 | 18.634 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 35 | LEU | 0 | -0.079 | -0.037 | 15.706 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 36 | THR | 0 | 0.049 | 0.007 | 20.410 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 37 | GLU | -1 | -0.868 | -0.948 | 22.286 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 38 | VAL | 0 | -0.091 | -0.045 | 23.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 39 | ARG | 1 | 0.875 | 0.925 | 18.796 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 40 | CYS | 0 | -0.047 | 0.012 | 18.998 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 41 | LYS | 1 | 0.953 | 0.989 | 19.898 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 42 | ASP | -1 | -0.797 | -0.879 | 17.410 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 43 | ILE | 0 | 0.003 | 0.004 | 14.476 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 44 | GLY | 0 | 0.036 | 0.019 | 15.576 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 45 | SER | 0 | -0.056 | -0.056 | 17.550 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 46 | ALA | 0 | -0.040 | -0.021 | 12.470 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 47 | LEU | 0 | 0.000 | -0.010 | 11.945 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 48 | GLN | 0 | -0.074 | -0.030 | 13.993 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 49 | ALA | 0 | -0.045 | -0.023 | 13.581 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 50 | ASN | 0 | -0.030 | -0.017 | 7.376 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 51 | ALA | 0 | -0.008 | -0.012 | 10.335 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 52 | SER | 0 | -0.059 | -0.038 | 5.361 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 53 | LEU | 0 | -0.046 | -0.008 | 6.410 | -0.578 | -0.578 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 54 | THR | 0 | -0.030 | -0.018 | 6.327 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 55 | GLU | -1 | -0.765 | -0.859 | 8.265 | -0.840 | -0.840 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 56 | LEU | 0 | 0.010 | 0.001 | 9.301 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 57 | SER | 0 | -0.065 | -0.062 | 12.103 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 58 | LEU | 0 | 0.022 | 0.004 | 14.094 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 59 | ARG | 1 | 0.922 | 0.983 | 16.840 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 60 | THR | 0 | 0.009 | 0.001 | 19.642 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 61 | ASN | 0 | -0.008 | -0.014 | 17.833 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 62 | GLU | -1 | -0.875 | -0.919 | 22.172 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 63 | LEU | 0 | -0.062 | -0.050 | 19.835 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 64 | GLY | 0 | 0.055 | 0.030 | 23.803 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 65 | ASP | -1 | -0.770 | -0.873 | 26.133 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 66 | GLY | 0 | 0.008 | 0.008 | 27.412 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 67 | GLY | 0 | 0.062 | -0.004 | 23.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 68 | VAL | 0 | 0.006 | 0.005 | 22.381 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 69 | LEU | 0 | -0.018 | 0.003 | 22.675 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 70 | LEU | 0 | -0.023 | -0.017 | 22.227 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 71 | VAL | 0 | 0.014 | 0.001 | 17.196 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 72 | LEU | 0 | -0.017 | -0.013 | 18.636 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 73 | GLN | 0 | -0.037 | -0.036 | 20.808 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 74 | GLY | 0 | 0.022 | 0.017 | 18.092 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 75 | LEU | 0 | -0.018 | 0.008 | 14.874 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 76 | GLN | 0 | -0.009 | -0.005 | 17.547 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 77 | SER | 0 | 0.040 | 0.017 | 17.277 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 78 | PRO | 0 | -0.028 | -0.023 | 17.803 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 79 | THR | 0 | -0.053 | -0.014 | 13.656 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 80 | CYS | 0 | -0.044 | 0.001 | 12.948 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 81 | LYS | 1 | 0.852 | 0.932 | 5.706 | 2.067 | 2.067 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 82 | ILE | 0 | 0.002 | 0.007 | 11.477 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 83 | GLN | 0 | -0.036 | -0.015 | 9.708 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 84 | LYS | 1 | 0.867 | 0.937 | 11.170 | 1.065 | 1.065 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 85 | LEU | 0 | 0.012 | 0.003 | 13.337 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 86 | SER | 0 | -0.031 | -0.007 | 15.672 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 87 | LEU | 0 | 0.037 | -0.009 | 17.406 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 88 | GLN | 0 | 0.004 | 0.012 | 20.339 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 89 | ASN | 0 | -0.027 | -0.014 | 22.356 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 90 | CYS | 0 | -0.032 | -0.017 | 21.834 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 91 | CYS | 0 | -0.041 | -0.026 | 24.462 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 92 | LEU | 0 | -0.032 | 0.006 | 25.122 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 93 | THR | 0 | 0.012 | -0.037 | 28.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 94 | GLU | -1 | -0.904 | -0.968 | 31.031 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 95 | ALA | 0 | -0.060 | -0.021 | 33.246 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 96 | GLY | 0 | 0.014 | 0.006 | 29.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 97 | CYS | 0 | -0.083 | -0.029 | 28.556 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 98 | GLY | 0 | -0.001 | 0.010 | 29.668 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 99 | VAL | 0 | 0.015 | 0.000 | 25.868 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 100 | LEU | 0 | 0.021 | 0.031 | 24.622 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 101 | PRO | 0 | 0.022 | 0.008 | 26.247 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 102 | GLY | 0 | -0.017 | 0.000 | 27.308 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 103 | VAL | 0 | 0.044 | 0.009 | 21.371 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 104 | LEU | 0 | 0.002 | -0.005 | 21.993 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 105 | ARG | 1 | 0.749 | 0.861 | 22.803 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 106 | SER | 0 | -0.067 | -0.025 | 21.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 107 | LEU | 0 | -0.026 | 0.000 | 16.883 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 108 | PRO | 0 | 0.048 | 0.005 | 18.886 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 109 | THR | 0 | -0.006 | -0.027 | 13.914 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 110 | LEU | 0 | -0.034 | 0.007 | 15.488 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 111 | ARG | 1 | 0.801 | 0.886 | 14.826 | 0.584 | 0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 112 | GLU | -1 | -0.863 | -0.947 | 15.257 | -0.580 | -0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 113 | LEU | 0 | -0.019 | -0.013 | 17.434 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 114 | HIS | 0 | 0.026 | 0.015 | 17.340 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 115 | LEU | 0 | 0.014 | -0.016 | 20.734 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 116 | SER | 0 | 0.035 | 0.026 | 23.563 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 117 | ASP | -1 | -0.819 | -0.906 | 25.516 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 118 | ASN | 0 | -0.026 | -0.012 | 24.472 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 119 | PRO | 0 | 0.003 | 0.014 | 28.783 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 120 | LEU | 0 | -0.001 | -0.017 | 27.427 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 121 | GLY | 0 | 0.087 | 0.043 | 31.627 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 122 | ASP | -1 | -0.780 | -0.849 | 34.239 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 123 | ALA | 0 | -0.033 | -0.004 | 36.264 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 124 | GLY | 0 | 0.080 | 0.009 | 32.300 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 125 | LEU | 0 | -0.029 | 0.008 | 30.629 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 126 | ARG | 1 | 0.973 | 0.973 | 32.154 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 127 | LEU | 0 | 0.012 | 0.019 | 31.582 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 128 | LEU | 0 | 0.019 | 0.010 | 25.688 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 129 | CYS | 0 | -0.042 | -0.020 | 28.892 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 130 | GLU | -1 | -0.958 | -0.988 | 31.247 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 131 | GLY | 0 | -0.021 | -0.016 | 28.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 132 | LEU | 0 | -0.038 | -0.019 | 24.818 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 133 | LEU | 0 | -0.033 | -0.010 | 28.012 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 134 | ASP | -1 | -0.901 | -0.961 | 29.052 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 135 | PRO | 0 | -0.045 | -0.009 | 29.265 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 136 | ARG | 1 | 0.885 | 0.928 | 20.071 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 137 | CYM | -1 | -0.848 | -0.704 | 21.836 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 138 | ARG | 1 | 0.756 | 0.725 | 21.692 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 139 | LEU | 0 | -0.003 | 0.005 | 19.982 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 140 | GLU | -1 | -0.835 | -0.893 | 18.676 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 141 | LYS | 1 | 0.872 | 0.924 | 18.831 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 142 | LEU | 0 | -0.002 | 0.000 | 21.392 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 143 | GLN | 0 | -0.029 | -0.017 | 20.913 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 144 | LEU | 0 | 0.016 | -0.022 | 24.302 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 145 | GLU | -1 | -0.781 | -0.897 | 26.928 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 146 | TYR | 0 | 0.039 | 0.007 | 28.759 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 147 | CYS | 0 | -0.082 | -0.005 | 28.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 148 | SER | 0 | -0.041 | -0.022 | 31.087 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 149 | LEU | 0 | -0.053 | -0.009 | 31.276 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 150 | THR | 0 | 0.032 | -0.026 | 35.585 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 151 | ALA | 0 | 0.052 | 0.006 | 38.362 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 152 | ALA | 0 | -0.075 | -0.027 | 40.479 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 153 | SER | 0 | 0.024 | -0.037 | 34.919 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 154 | CYS | 0 | -0.076 | 0.006 | 35.936 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 155 | GLU | -1 | -0.757 | -0.873 | 37.485 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 156 | PRO | 0 | -0.062 | -0.032 | 35.509 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 157 | LEU | 0 | 0.086 | 0.037 | 30.622 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 158 | ALA | 0 | 0.013 | 0.019 | 33.675 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 159 | ALA | 0 | -0.092 | -0.035 | 36.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 160 | VAL | 0 | 0.009 | 0.002 | 29.255 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 161 | LEU | 0 | -0.024 | -0.012 | 31.047 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 162 | ARG | 1 | 0.818 | 0.900 | 32.953 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 163 | ALA | 0 | -0.052 | -0.011 | 32.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 164 | THR | 0 | -0.012 | 0.002 | 27.229 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 165 | ARG | 1 | 0.944 | 0.958 | 28.096 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 166 | ASP | -1 | -0.859 | -0.952 | 23.051 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 167 | LEU | 0 | -0.036 | 0.005 | 23.876 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 168 | LYS | 1 | 0.807 | 0.893 | 21.604 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 169 | GLU | -1 | -0.814 | -0.895 | 22.283 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 170 | LEU | 0 | -0.007 | -0.003 | 24.983 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 171 | VAL | 0 | 0.014 | 0.012 | 25.181 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 172 | VAL | 0 | 0.007 | -0.014 | 27.715 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 173 | SER | 0 | 0.036 | 0.022 | 30.389 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 174 | ASN | 0 | -0.044 | -0.018 | 30.962 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 175 | ASN | 0 | -0.036 | -0.034 | 31.289 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 176 | ASP | -1 | -0.915 | -0.943 | 35.400 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 177 | ILE | 0 | -0.032 | -0.035 | 35.460 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 178 | GLY | 0 | 0.059 | 0.029 | 38.966 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 179 | GLU | -1 | -0.866 | -0.898 | 41.623 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 180 | ALA | 0 | -0.005 | -0.012 | 43.558 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 181 | GLY | 0 | 0.054 | 0.013 | 40.290 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 182 | VAL | 0 | 0.055 | 0.018 | 38.185 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 183 | GLN | 0 | 0.042 | 0.036 | 39.715 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 184 | ALA | 0 | -0.037 | -0.014 | 40.419 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 185 | LEU | 0 | -0.009 | -0.007 | 34.352 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 186 | CYS | 0 | -0.047 | -0.021 | 37.020 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 187 | ARG | 1 | 0.793 | 0.878 | 39.053 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 188 | GLY | 0 | 0.032 | 0.014 | 37.250 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 189 | LEU | 0 | -0.012 | -0.012 | 32.716 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 190 | ALA | 0 | -0.029 | -0.017 | 35.900 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 191 | GLU | -1 | -0.928 | -0.954 | 38.978 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 192 | SER | 0 | -0.003 | 0.008 | 33.018 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 193 | ALA | 0 | -0.037 | -0.020 | 33.143 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 194 | CYS | 0 | -0.117 | -0.045 | 28.798 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 195 | GLN | 0 | -0.032 | -0.015 | 28.310 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 196 | LEU | 0 | 0.017 | 0.016 | 27.545 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 197 | GLU | -1 | -0.889 | -0.944 | 23.331 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 198 | THR | 0 | -0.064 | -0.038 | 25.642 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 199 | LEU | 0 | -0.006 | 0.004 | 27.726 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 200 | LYS | 1 | 0.821 | 0.907 | 26.894 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 201 | LEU | 0 | 0.014 | -0.005 | 30.779 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 202 | GLU | -1 | -0.817 | -0.898 | 32.473 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 203 | ASN | 0 | 0.023 | 0.005 | 34.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 204 | CYS | 0 | -0.054 | -0.013 | 35.085 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 205 | GLY | 0 | 0.010 | 0.007 | 37.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 206 | LEU | 0 | -0.053 | -0.019 | 37.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 207 | THR | 0 | -0.041 | -0.063 | 41.934 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 208 | ALA | 0 | 0.047 | 0.002 | 44.887 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 209 | ALA | 0 | -0.043 | -0.012 | 47.233 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 210 | ASN | 0 | 0.016 | -0.014 | 41.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 211 | CYS | 0 | -0.042 | 0.021 | 42.710 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 212 | LYS | 1 | 0.775 | 0.868 | 44.081 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 213 | ASP | -1 | -0.835 | -0.920 | 42.186 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 214 | LEU | 0 | 0.033 | -0.002 | 37.434 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 215 | CYS | 0 | -0.089 | -0.012 | 40.250 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 216 | GLY | 0 | 0.017 | 0.008 | 42.179 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 217 | ILE | 0 | -0.011 | 0.017 | 35.903 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 218 | VAL | 0 | 0.010 | 0.011 | 37.244 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 219 | ALA | 0 | 0.006 | 0.017 | 38.226 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 220 | SER | 0 | -0.065 | -0.033 | 38.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 221 | GLN | 0 | 0.042 | 0.018 | 32.103 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 222 | ALA | 0 | 0.015 | 0.012 | 33.861 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 223 | SER | 0 | -0.029 | -0.029 | 28.890 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 224 | LEU | 0 | -0.028 | 0.001 | 29.301 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 225 | LYS | 1 | 0.765 | 0.864 | 27.665 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 226 | ASP | -1 | -0.769 | -0.889 | 27.667 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 227 | LEU | 0 | 0.006 | 0.005 | 29.853 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 228 | ASP | -1 | -0.826 | -0.929 | 30.687 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 229 | LEU | 0 | 0.010 | -0.008 | 32.996 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 230 | GLY | 0 | 0.068 | 0.052 | 35.441 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 231 | SER | 0 | 0.026 | 0.017 | 37.013 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 232 | ASN | 0 | -0.006 | -0.011 | 37.406 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 233 | ARG | 1 | 0.828 | 0.917 | 41.248 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 234 | LEU | 0 | -0.010 | -0.015 | 40.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 235 | GLY | 0 | 0.048 | 0.016 | 45.012 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 236 | ASP | -1 | -0.776 | -0.866 | 47.312 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 237 | ALA | 0 | -0.049 | -0.026 | 49.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 238 | GLY | 0 | 0.081 | 0.024 | 46.504 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 239 | LEU | 0 | 0.014 | 0.009 | 43.123 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 240 | ALA | 0 | 0.001 | -0.003 | 45.802 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 241 | GLU | -1 | -0.806 | -0.891 | 47.636 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 242 | LEU | 0 | 0.023 | 0.019 | 39.999 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 243 | CYS | 0 | -0.040 | -0.016 | 43.668 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 244 | PRO | 0 | -0.036 | -0.029 | 45.055 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 245 | GLY | 0 | 0.056 | 0.025 | 42.764 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 246 | LEU | 0 | 0.010 | -0.008 | 38.849 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 247 | LEU | 0 | -0.017 | -0.013 | 41.416 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 248 | SER | 0 | -0.010 | 0.008 | 41.902 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 249 | PRO | 0 | -0.032 | -0.034 | 41.476 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 250 | SER | 0 | -0.056 | -0.038 | 38.797 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 251 | SER | 0 | 0.014 | 0.022 | 37.200 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 252 | GLN | 0 | -0.034 | -0.040 | 34.421 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 253 | LEU | 0 | -0.004 | 0.023 | 32.640 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 254 | ARG | 1 | 0.761 | 0.860 | 28.470 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 255 | THR | 0 | 0.010 | -0.025 | 29.451 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 256 | LEU | 0 | -0.023 | -0.008 | 32.073 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 257 | TRP | 0 | -0.044 | -0.023 | 29.076 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 258 | LEU | 0 | 0.003 | -0.014 | 35.255 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 259 | TRP | 0 | 0.033 | 0.020 | 33.832 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 260 | GLU | -1 | -0.903 | -0.949 | 39.055 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 261 | CYS | 0 | -0.065 | -0.023 | 40.223 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 262 | ASP | -1 | -0.837 | -0.921 | 42.984 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 263 | LEU | 0 | -0.066 | -0.011 | 43.033 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 264 | THR | 0 | -0.038 | -0.063 | 47.092 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 265 | VAL | 0 | 0.047 | 0.013 | 49.306 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 266 | SER | 0 | -0.054 | -0.039 | 51.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 267 | GLY | 0 | 0.031 | 0.020 | 48.252 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 268 | CYS | 0 | -0.016 | -0.004 | 46.504 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 269 | ARG | 1 | 0.834 | 0.903 | 47.576 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 270 | GLU | -1 | -0.856 | -0.914 | 48.678 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 271 | LEU | 0 | 0.043 | 0.018 | 41.400 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 272 | CYS | 0 | -0.044 | -0.018 | 44.671 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 273 | ARG | 1 | 0.822 | 0.894 | 46.629 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 274 | VAL | 0 | -0.022 | -0.005 | 41.271 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 275 | LEU | 0 | 0.035 | 0.005 | 40.491 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 276 | GLN | 0 | -0.046 | -0.020 | 42.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 277 | ALA | 0 | -0.032 | -0.009 | 44.606 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 278 | LYS | 1 | 0.771 | 0.900 | 39.769 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 279 | GLU | -1 | -0.820 | -0.904 | 39.147 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 280 | ALA | 0 | -0.024 | -0.006 | 34.621 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 281 | LEU | 0 | -0.011 | 0.009 | 34.302 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 282 | LYS | 1 | 0.764 | 0.892 | 32.205 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 283 | GLU | -1 | -0.761 | -0.847 | 29.069 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 284 | LEU | 0 | -0.001 | 0.002 | 33.539 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 285 | SER | 0 | 0.003 | 0.012 | 34.715 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 286 | LEU | 0 | 0.016 | -0.013 | 36.734 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 287 | ALA | 0 | 0.026 | 0.019 | 38.267 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 288 | GLY | 0 | 0.053 | 0.030 | 40.265 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 289 | ASN | 0 | -0.028 | -0.018 | 41.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 290 | SER | 0 | 0.003 | 0.002 | 45.215 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 291 | LEU | 0 | -0.022 | -0.014 | 44.560 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 292 | GLY | 0 | 0.033 | 0.019 | 48.895 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 293 | ASP | -1 | -0.739 | -0.864 | 50.251 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 294 | GLU | -1 | -0.839 | -0.898 | 52.022 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 295 | GLY | 0 | 0.040 | 0.020 | 49.233 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 296 | ALA | 0 | 0.012 | 0.007 | 47.362 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 297 | GLN | 0 | -0.055 | -0.036 | 48.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 298 | LEU | 0 | -0.012 | -0.002 | 49.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 299 | LEU | 0 | 0.039 | 0.024 | 43.466 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 300 | CYS | 0 | -0.057 | -0.022 | 45.894 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 301 | GLU | -1 | -0.868 | -0.939 | 47.634 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 302 | SER | 0 | -0.022 | -0.021 | 45.808 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 303 | LEU | 0 | 0.013 | 0.000 | 41.161 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 304 | LEU | 0 | -0.041 | -0.002 | 44.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 305 | GLN | 0 | -0.071 | -0.031 | 47.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 306 | PRO | 0 | -0.030 | -0.023 | 45.657 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 307 | GLY | 0 | 0.027 | 0.023 | 43.480 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 308 | CYS | 0 | -0.045 | -0.012 | 42.096 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 309 | GLN | 0 | -0.112 | -0.071 | 37.710 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 310 | LEU | 0 | 0.014 | 0.007 | 36.831 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 311 | GLU | -1 | -0.827 | -0.906 | 31.130 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 312 | SER | 0 | -0.058 | -0.061 | 32.798 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 313 | LEU | 0 | 0.008 | 0.005 | 34.858 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 314 | TRP | 0 | 0.000 | -0.011 | 30.355 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 315 | VAL | 0 | -0.001 | -0.027 | 37.185 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 316 | LYS | 1 | 1.004 | 1.000 | 37.321 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 317 | SER | 0 | -0.027 | -0.025 | 40.415 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 318 | CYS | 0 | -0.042 | 0.022 | 43.418 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 319 | GLY | 0 | -0.003 | 0.000 | 45.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 320 | PHE | 0 | -0.040 | -0.030 | 44.485 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 321 | THR | 0 | 0.013 | -0.037 | 48.773 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 322 | ALA | 0 | 0.054 | -0.001 | 50.541 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 323 | ALA | 0 | -0.066 | -0.017 | 52.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 324 | CYS | 0 | -0.018 | 0.006 | 49.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 325 | CYS | 0 | -0.007 | 0.018 | 48.854 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 326 | GLN | 0 | -0.008 | -0.003 | 49.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 327 | HIS | 0 | -0.002 | 0.005 | 50.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 328 | PHE | 0 | 0.098 | 0.025 | 43.887 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 329 | SER | 0 | -0.010 | 0.001 | 46.517 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 330 | SER | 0 | -0.043 | -0.024 | 48.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 331 | MET | 0 | -0.008 | 0.018 | 42.574 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 332 | LEU | 0 | 0.028 | -0.001 | 41.575 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 333 | THR | 0 | -0.047 | -0.015 | 44.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 334 | GLN | 0 | -0.050 | -0.021 | 46.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 335 | ASN | 0 | 0.009 | -0.001 | 41.279 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 336 | LYS | 1 | 0.763 | 0.853 | 41.037 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 337 | HIS | 0 | -0.014 | 0.012 | 37.716 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 338 | LEU | 0 | 0.021 | 0.010 | 36.456 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 339 | LEU | 0 | -0.023 | -0.014 | 31.815 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 340 | GLU | -1 | -0.758 | -0.839 | 32.003 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 341 | LEU | 0 | -0.017 | -0.007 | 34.955 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 342 | GLN | 0 | -0.023 | -0.003 | 33.565 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 343 | LEU | 0 | -0.006 | -0.018 | 37.418 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 344 | SER | 0 | 0.006 | 0.005 | 37.610 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 345 | SER | 0 | -0.026 | -0.043 | 40.220 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 346 | ASN | 0 | -0.022 | -0.028 | 42.510 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 347 | PRO | 0 | 0.034 | 0.035 | 45.561 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 348 | LEU | 0 | -0.028 | -0.033 | 44.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 349 | GLY | 0 | 0.055 | 0.028 | 48.580 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 350 | ASP | -1 | -0.763 | -0.849 | 49.137 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 351 | ALA | 0 | -0.038 | -0.022 | 50.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 352 | GLY | 0 | 0.057 | 0.015 | 49.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 353 | VAL | 0 | 0.054 | 0.021 | 44.327 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 354 | HIS | 0 | 0.009 | 0.018 | 46.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 355 | VAL | 0 | -0.025 | -0.012 | 49.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 356 | LEU | 0 | 0.014 | 0.007 | 44.029 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 357 | CYS | 0 | -0.033 | -0.012 | 45.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 358 | GLN | 0 | -0.072 | -0.039 | 46.359 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 359 | ALA | 0 | -0.009 | 0.015 | 46.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 360 | LEU | 0 | 0.047 | 0.008 | 41.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 361 | GLY | 0 | 0.030 | 0.021 | 43.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 362 | GLN | 0 | -0.071 | -0.022 | 45.558 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 363 | PRO | 0 | 0.013 | 0.005 | 44.923 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 364 | GLY | 0 | -0.012 | -0.014 | 43.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 365 | THR | 0 | -0.011 | 0.000 | 42.156 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 366 | VAL | 0 | -0.005 | -0.011 | 37.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 367 | LEU | 0 | -0.009 | 0.009 | 36.848 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 368 | ARG | 1 | 0.943 | 0.980 | 30.573 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 369 | VAL | 0 | 0.066 | 0.048 | 30.822 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 370 | LEU | 0 | -0.008 | -0.006 | 34.037 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 371 | TRP | 0 | -0.071 | -0.039 | 30.758 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 372 | VAL | 0 | 0.017 | -0.010 | 37.348 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 373 | GLY | 0 | 0.075 | 0.050 | 38.915 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 374 | ASP | -1 | -0.834 | -0.879 | 39.886 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 375 | CYS | 0 | -0.080 | -0.023 | 42.436 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 376 | GLU | -1 | -0.917 | -0.962 | 45.099 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 377 | LEU | 0 | -0.060 | -0.021 | 44.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 378 | THR | 0 | -0.015 | -0.050 | 47.269 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 379 | ASN | 0 | 0.039 | -0.018 | 47.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 380 | SER | 0 | -0.056 | -0.023 | 48.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 381 | SER | 0 | 0.008 | -0.009 | 47.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 382 | CYS | 0 | -0.049 | 0.010 | 45.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 383 | GLY | 0 | 0.061 | 0.050 | 46.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 384 | GLY | 0 | -0.024 | -0.014 | 48.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 385 | LEU | 0 | 0.038 | 0.007 | 42.074 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 386 | ALA | 0 | 0.028 | 0.017 | 43.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 387 | SER | 0 | -0.016 | 0.002 | 44.117 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 388 | LEU | 0 | -0.015 | -0.004 | 41.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 389 | LEU | 0 | -0.009 | -0.003 | 38.101 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 390 | LEU | 0 | -0.052 | -0.019 | 40.349 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 391 | ALA | 0 | -0.039 | -0.013 | 42.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 392 | SER | 0 | 0.005 | 0.002 | 40.038 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 393 | PRO | 0 | -0.054 | -0.011 | 39.985 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 394 | SER | 0 | -0.085 | -0.051 | 36.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 395 | LEU | 0 | -0.001 | 0.012 | 35.523 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 396 | ARG | 1 | 0.798 | 0.899 | 31.279 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 397 | GLU | -1 | -0.827 | -0.905 | 28.028 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 398 | LEU | 0 | -0.006 | -0.007 | 32.605 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 399 | ASP | -1 | -0.768 | -0.866 | 34.243 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 400 | LEU | 0 | 0.000 | -0.008 | 35.926 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 401 | SER | 0 | 0.044 | 0.001 | 35.638 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 402 | ASN | 0 | -0.055 | -0.043 | 37.977 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 403 | ASN | 0 | -0.045 | -0.004 | 40.701 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 404 | GLY | 0 | 0.034 | 0.025 | 43.710 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 405 | LEU | 0 | -0.088 | -0.052 | 41.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 406 | GLY | 0 | 0.083 | 0.031 | 44.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 407 | ASP | -1 | -0.811 | -0.877 | 45.348 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 408 | PRO | 0 | -0.033 | -0.018 | 46.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 409 | GLY | 0 | 0.034 | 0.010 | 46.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 410 | VAL | 0 | 0.046 | 0.011 | 40.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 411 | LEU | 0 | -0.006 | -0.016 | 42.734 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 412 | GLN | 0 | -0.095 | -0.045 | 45.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 413 | LEU | 0 | 0.012 | 0.004 | 40.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 414 | LEU | 0 | 0.021 | 0.011 | 38.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 415 | GLY | 0 | 0.008 | 0.018 | 41.127 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 416 | SER | 0 | -0.034 | -0.043 | 41.992 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 417 | LEU | 0 | 0.023 | 0.006 | 35.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 418 | GLU | -1 | -0.819 | -0.896 | 37.712 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 419 | GLN | 0 | -0.069 | -0.022 | 39.663 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 420 | PRO | 0 | -0.007 | -0.013 | 38.234 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 421 | ALA | 0 | -0.027 | -0.017 | 38.207 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 422 | CYS | 0 | -0.063 | -0.002 | 38.023 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 423 | SER | 0 | -0.002 | -0.004 | 34.543 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 424 | LEU | 0 | -0.020 | -0.008 | 33.672 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 425 | GLU | -1 | -0.898 | -0.945 | 27.773 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 426 | GLN | 0 | -0.045 | -0.053 | 26.398 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 427 | LEU | 0 | -0.018 | -0.012 | 30.780 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 428 | VAL | 0 | -0.024 | -0.008 | 30.978 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 429 | LEU | 0 | 0.005 | -0.014 | 33.535 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 430 | TYR | 0 | 0.077 | 0.020 | 28.487 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 431 | ASP | -1 | -0.882 | -0.939 | 35.277 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 432 | ILE | 0 | -0.077 | -0.009 | 38.256 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 433 | TYR | 0 | -0.012 | -0.007 | 39.387 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 434 | TRP | 0 | -0.045 | -0.058 | 36.128 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 435 | THR | 0 | -0.073 | -0.064 | 42.271 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 436 | GLU | -1 | -0.872 | -0.950 | 41.238 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 437 | ALA | 0 | -0.057 | -0.030 | 42.055 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 438 | VAL | 0 | -0.049 | -0.016 | 41.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 439 | ASP | -1 | -0.789 | -0.860 | 36.663 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 440 | GLU | -1 | -0.820 | -0.918 | 37.466 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 441 | ARG | 1 | 0.794 | 0.879 | 38.740 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 442 | LEU | 0 | -0.010 | -0.003 | 34.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 443 | ARG | 1 | 0.901 | 0.930 | 32.597 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 444 | ALA | 0 | -0.020 | 0.001 | 34.289 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 445 | VAL | 0 | -0.046 | -0.032 | 35.884 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 446 | GLU | -1 | -0.847 | -0.899 | 29.087 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 447 | GLU | -1 | -0.942 | -0.974 | 29.957 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 448 | SER | 0 | -0.104 | -0.048 | 32.008 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 449 | LYS | 1 | 0.728 | 0.859 | 32.368 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 450 | PRO | 0 | 0.058 | 0.020 | 26.809 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 451 | GLY | 0 | -0.072 | -0.025 | 26.730 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 452 | LEU | 0 | -0.021 | -0.001 | 28.384 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 453 | ARG | 1 | 0.784 | 0.871 | 24.937 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 454 | ILE | 0 | 0.045 | 0.026 | 28.989 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 455 | ILE | 0 | -0.020 | -0.005 | 26.953 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 456 | SER | 0 | 0.026 | 0.023 | 30.831 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |