FMODB ID: 2NVZR
Calculation Name: 1UAA-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1UAA
Chain ID: A
UniProt ID: P09980
Base Structure: X-ray
Registration Date: 2023-09-24
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 | 639 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15131845.491983 |
---|---|
FMO2-HF: Nuclear repulsion | 14875141.872515 |
FMO2-HF: Total energy | -256703.619468 |
FMO2-MP2: Total energy | -257452.218392 |
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(A:2:ARG)
Summations of interaction energy for
fragment #1(A:2:ARG)
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. |
-187.613 | -189.438 | 20.464 | -9.333 | -9.307 | -0.104 |
Interaction energy analysis for fragmet #1(A:2:ARG)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 4 | ASN | 0 | 0.062 | 0.024 | 2.465 | -12.610 | -9.024 | 1.375 | -2.181 | -2.780 | -0.017 |
4 | A | 5 | PRO | 0 | 0.060 | 0.009 | 5.047 | -1.207 | -1.040 | -0.001 | -0.006 | -0.159 | 0.000 |
5 | A | 6 | GLY | 0 | 0.055 | 0.045 | 6.337 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | GLN | 0 | 0.021 | -0.010 | 6.660 | -2.139 | -2.139 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | GLN | 0 | -0.051 | -0.029 | 1.826 | -43.198 | -48.889 | 19.091 | -7.133 | -6.268 | -0.087 |
8 | A | 9 | GLN | 0 | 0.063 | 0.026 | 5.821 | 2.858 | 2.858 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | ALA | 0 | 0.009 | 0.007 | 8.263 | 2.379 | 2.379 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | VAL | 0 | -0.028 | -0.012 | 7.174 | 2.494 | 2.494 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | GLU | -1 | -0.857 | -0.922 | 4.513 | -51.102 | -50.989 | -0.001 | -0.013 | -0.100 | 0.000 |
12 | A | 13 | PHE | 0 | -0.008 | 0.004 | 8.245 | 2.251 | 2.251 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | VAL | 0 | 0.023 | 0.007 | 11.585 | 1.151 | 1.151 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | THR | 0 | -0.027 | -0.026 | 14.029 | 0.865 | 0.865 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | GLY | 0 | -0.054 | -0.030 | 16.739 | 1.132 | 1.132 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | PRO | 0 | 0.031 | 0.045 | 18.452 | -0.598 | -0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | CYS | 0 | -0.080 | -0.036 | 15.668 | -0.696 | -0.696 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | LEU | 0 | 0.064 | 0.031 | 18.225 | 0.533 | 0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | VAL | 0 | -0.009 | -0.016 | 13.931 | -0.637 | -0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | LEU | 0 | 0.012 | 0.001 | 16.913 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | ALA | 0 | -0.032 | -0.017 | 15.566 | -0.743 | -0.743 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | GLY | 0 | 0.057 | 0.045 | 16.730 | 0.732 | 0.732 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | ALA | 0 | 0.028 | 0.023 | 17.728 | -0.963 | -0.963 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | GLY | 0 | 0.079 | 0.046 | 17.204 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | SER | 0 | -0.043 | -0.039 | 13.789 | -1.205 | -1.205 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | GLY | 0 | 0.022 | 0.010 | 12.248 | -2.013 | -2.013 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | LYS | 1 | 0.850 | 0.921 | 13.148 | 13.560 | 13.560 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | THR | 0 | 0.101 | 0.040 | 15.079 | -1.128 | -1.128 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | ARG | 1 | 0.929 | 0.992 | 5.600 | 33.744 | 33.744 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | VAL | 0 | 0.028 | 0.019 | 10.381 | -1.486 | -1.486 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ILE | 0 | 0.023 | 0.011 | 12.095 | -0.617 | -0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | THR | 0 | -0.011 | -0.017 | 13.997 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | ASN | 0 | -0.013 | -0.016 | 8.992 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | LYS | 1 | 0.809 | 0.898 | 10.529 | 22.124 | 22.124 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | ILE | 0 | -0.012 | -0.006 | 11.879 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | ALA | 0 | 0.026 | 0.013 | 11.750 | 0.687 | 0.687 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | HIS | 0 | -0.052 | -0.021 | 7.680 | -1.378 | -1.378 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | LEU | 0 | 0.018 | -0.004 | 10.235 | 0.719 | 0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | ILE | 0 | -0.029 | -0.007 | 13.356 | 0.999 | 0.999 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ARG | 1 | 0.777 | 0.846 | 11.258 | 20.066 | 20.066 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | GLY | 0 | -0.007 | 0.006 | 9.441 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | CYS | 0 | -0.077 | -0.020 | 10.436 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | GLY | 0 | 0.022 | 0.030 | 13.198 | 1.271 | 1.271 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | TYR | 0 | -0.040 | -0.028 | 16.007 | 1.373 | 1.373 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | GLN | 0 | 0.021 | 0.002 | 18.010 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | ALA | 0 | 0.100 | 0.043 | 19.726 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | ARG | 1 | 0.957 | 0.990 | 20.568 | 11.617 | 11.617 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | HIS | 0 | -0.108 | -0.060 | 22.653 | 0.856 | 0.856 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | ILE | 0 | 0.016 | 0.023 | 16.990 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | ALA | 0 | -0.005 | -0.008 | 21.233 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | ALA | 0 | -0.008 | -0.012 | 20.085 | -0.634 | -0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | VAL | 0 | 0.009 | 0.016 | 21.959 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | THR | 0 | 0.004 | -0.005 | 23.322 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | PHE | 0 | 0.067 | 0.016 | 25.874 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | THR | 0 | -0.021 | -0.013 | 27.842 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | ASN | 0 | 0.005 | -0.005 | 28.337 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | LYS | 1 | 0.913 | 0.964 | 26.913 | 10.183 | 10.183 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | ALA | 0 | 0.110 | 0.053 | 23.852 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | ALA | 0 | -0.039 | -0.010 | 23.458 | -0.670 | -0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | ARG | 1 | 0.837 | 0.895 | 24.566 | 10.541 | 10.541 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | GLU | -1 | -0.860 | -0.936 | 21.523 | -13.004 | -13.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | MET | 0 | -0.047 | -0.028 | 18.939 | -0.922 | -0.922 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | LYS | 1 | 0.801 | 0.900 | 19.910 | 11.606 | 11.606 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | GLU | -1 | -0.766 | -0.852 | 21.495 | -13.333 | -13.333 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | ARG | 1 | 0.880 | 0.936 | 16.378 | 14.827 | 14.827 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | VAL | 0 | -0.014 | -0.021 | 16.719 | -0.890 | -0.890 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | GLY | 0 | -0.004 | -0.010 | 17.696 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | GLN | 0 | -0.037 | -0.018 | 14.784 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | THR | 0 | -0.052 | -0.016 | 12.624 | -1.345 | -1.345 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | LEU | 0 | -0.061 | -0.029 | 14.164 | -1.013 | -1.013 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | GLY | 0 | 0.067 | 0.036 | 16.922 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | ARG | 1 | 0.803 | 0.869 | 20.728 | 10.560 | 10.560 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | LYN | 0 | -0.001 | 0.023 | 20.422 | 0.570 | 0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | GLU | -1 | -0.830 | -0.893 | 17.450 | -17.143 | -17.143 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | ALA | 0 | 0.035 | 0.012 | 19.580 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | ARG | 1 | 0.813 | 0.906 | 21.263 | 11.330 | 11.330 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | GLY | 0 | 0.024 | 0.016 | 24.516 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | LEU | 0 | -0.038 | -0.003 | 19.062 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | MET | 0 | 0.003 | 0.032 | 23.120 | 0.644 | 0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | ILE | 0 | 0.016 | 0.016 | 21.676 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | SER | 0 | -0.036 | -0.023 | 24.277 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | THR | 0 | 0.018 | 0.027 | 26.708 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | PHE | 0 | 0.083 | 0.029 | 27.860 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | HIS | 0 | 0.078 | 0.036 | 30.769 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | THR | 0 | -0.034 | -0.021 | 31.024 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | LEU | 0 | -0.009 | 0.010 | 28.222 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | GLY | 0 | 0.027 | 0.012 | 31.906 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | LEU | 0 | 0.036 | 0.003 | 34.921 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | ASP | -1 | -0.838 | -0.888 | 33.534 | -9.265 | -9.265 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | ILE | 0 | 0.017 | 0.005 | 32.302 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | ILE | 0 | 0.016 | 0.017 | 36.149 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | LYS | 1 | 0.901 | 0.952 | 38.756 | 8.117 | 8.117 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | ARG | 1 | 0.795 | 0.866 | 33.609 | 9.503 | 9.503 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | GLU | -1 | -0.751 | -0.867 | 37.545 | -8.356 | -8.356 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | TYR | 0 | 0.001 | 0.002 | 40.456 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | ALA | 0 | -0.020 | -0.001 | 41.273 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | ALA | 0 | -0.049 | -0.019 | 40.416 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | LEU | 0 | -0.049 | -0.020 | 42.543 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | GLY | 0 | -0.009 | 0.002 | 45.636 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | MET | 0 | -0.071 | -0.035 | 46.835 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | LYN | 0 | -0.009 | -0.017 | 46.955 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | ALA | 0 | -0.031 | -0.014 | 44.273 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | ASN | 0 | -0.046 | -0.036 | 46.240 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | PHE | 0 | 0.023 | 0.030 | 42.521 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | SER | 0 | -0.034 | -0.042 | 46.941 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | LEU | 0 | -0.023 | -0.016 | 41.202 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | PHE | 0 | -0.008 | -0.014 | 45.157 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | ASP | -1 | -0.738 | -0.839 | 43.694 | -7.538 | -7.538 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | ASP | -1 | -0.797 | -0.886 | 41.486 | -7.593 | -7.593 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | THR | 0 | -0.050 | -0.044 | 44.591 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | ASP | -1 | -0.820 | -0.894 | 47.479 | -6.591 | -6.591 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | GLN | 0 | -0.032 | -0.029 | 44.807 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | LEU | 0 | 0.009 | 0.002 | 48.178 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | ALA | 0 | -0.018 | -0.010 | 49.975 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | LEU | 0 | -0.023 | -0.005 | 51.812 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | LEU | 0 | -0.003 | -0.013 | 49.890 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | LYS | 1 | 0.799 | 0.874 | 53.611 | 5.663 | 5.663 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | GLU | -1 | -0.876 | -0.933 | 56.008 | -5.519 | -5.519 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | LEU | 0 | -0.083 | -0.038 | 55.392 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | THR | 0 | 0.015 | -0.017 | 55.474 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | GLU | -1 | -0.838 | -0.893 | 58.499 | -5.401 | -5.401 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | GLY | 0 | -0.045 | -0.020 | 61.096 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | LEU | 0 | -0.126 | -0.058 | 59.463 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | ILE | 0 | -0.032 | -0.008 | 55.336 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | GLU | -1 | -0.892 | -0.943 | 57.621 | -5.549 | -5.549 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | ASP | -1 | -0.866 | -0.918 | 56.954 | -5.676 | -5.676 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | ASP | -1 | -0.797 | -0.915 | 53.199 | -6.094 | -6.094 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | LYS | 1 | 0.915 | 0.963 | 48.534 | 6.359 | 6.359 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | VAL | 0 | 0.001 | -0.014 | 48.836 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | LEU | 0 | 0.015 | 0.025 | 49.563 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | LEU | 0 | 0.029 | 0.013 | 50.789 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | GLN | 0 | -0.027 | -0.010 | 44.694 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | GLN | 0 | -0.007 | -0.008 | 46.178 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | LEU | 0 | 0.018 | 0.043 | 47.534 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | ILE | 0 | -0.007 | -0.004 | 44.652 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | SER | 0 | -0.012 | -0.007 | 42.819 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | THR | 0 | 0.000 | -0.010 | 43.711 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | ILE | 0 | -0.016 | 0.000 | 45.872 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | SER | 0 | -0.040 | -0.032 | 41.524 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | ASN | 0 | -0.008 | -0.014 | 40.851 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | TRP | 0 | 0.020 | 0.001 | 42.357 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | LYS | 1 | 0.788 | 0.891 | 42.787 | 7.203 | 7.203 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | ASN | 0 | -0.040 | -0.037 | 38.149 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | ASP | -1 | -0.858 | -0.903 | 39.040 | -7.793 | -7.793 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | LEU | 0 | -0.035 | -0.029 | 38.921 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | LYS | 1 | 0.805 | 0.913 | 42.740 | 7.543 | 7.543 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | THR | 0 | 0.026 | 0.018 | 46.273 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | PRO | 0 | 0.072 | 0.031 | 49.335 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | SER | 0 | -0.019 | -0.010 | 51.875 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | GLN | 0 | 0.011 | -0.002 | 47.814 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | ALA | 0 | 0.019 | 0.016 | 49.239 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | ALA | 0 | -0.010 | -0.008 | 50.593 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | ALA | 0 | -0.048 | -0.020 | 53.115 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | SER | 0 | -0.077 | -0.035 | 48.683 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | ALA | 0 | 0.013 | 0.007 | 50.010 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | ILE | 0 | -0.026 | -0.015 | 51.201 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | GLY | 0 | 0.095 | 0.043 | 53.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | GLU | -1 | -0.822 | -0.868 | 55.910 | -5.329 | -5.329 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | ARG | 1 | 0.918 | 0.923 | 52.623 | 6.102 | 6.102 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | ASP | -1 | -0.788 | -0.850 | 52.048 | -6.263 | -6.263 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | ARG | 1 | 0.840 | 0.875 | 53.772 | 5.294 | 5.294 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | ILE | 0 | -0.026 | -0.008 | 56.350 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | PHE | 0 | 0.058 | 0.020 | 50.283 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | ALA | 0 | 0.027 | 0.022 | 52.793 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | HIS | 0 | -0.035 | -0.012 | 53.766 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | CYS | 0 | -0.035 | -0.028 | 54.377 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | TYR | 0 | -0.022 | -0.021 | 47.318 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | GLY | 0 | 0.003 | -0.007 | 52.496 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | LEU | 0 | -0.028 | -0.020 | 54.930 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | TYR | 0 | -0.012 | -0.029 | 47.283 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | ASP | -1 | -0.799 | -0.895 | 49.720 | -6.561 | -6.561 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | ALA | 0 | -0.029 | -0.008 | 51.873 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | HIS | 1 | 0.840 | 0.913 | 55.046 | 5.853 | 5.853 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | LEU | 0 | -0.008 | 0.002 | 48.042 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | LYS | 1 | 0.829 | 0.891 | 48.846 | 6.561 | 6.561 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | ALA | 0 | -0.038 | -0.011 | 52.532 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | CYS | 0 | -0.093 | -0.040 | 54.362 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | ASN | 0 | -0.018 | 0.001 | 50.734 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | VAL | 0 | -0.006 | 0.007 | 49.096 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | LEU | 0 | 0.002 | 0.002 | 43.439 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | ASP | -1 | -0.694 | -0.828 | 43.841 | -7.354 | -7.354 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | PHE | 0 | -0.006 | -0.031 | 38.927 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | ASP | -1 | -0.806 | -0.893 | 38.998 | -8.405 | -8.405 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | ASP | -1 | -0.788 | -0.895 | 39.822 | -7.368 | -7.368 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | LEU | 0 | -0.076 | -0.027 | 37.806 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | ILE | 0 | -0.022 | -0.009 | 33.620 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | LEU | 0 | 0.020 | 0.028 | 37.050 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | LEU | 0 | 0.007 | 0.016 | 40.160 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | PRO | 0 | -0.007 | -0.007 | 36.100 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | THR | 0 | -0.027 | -0.021 | 35.277 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | LEU | 0 | 0.019 | 0.009 | 37.460 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | LEU | 0 | -0.022 | -0.006 | 39.780 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | LEU | 0 | -0.017 | -0.029 | 33.708 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | GLN | 0 | -0.039 | -0.023 | 37.628 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | ALA | 0 | 0.014 | 0.023 | 38.920 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | ASN | 0 | 0.001 | -0.010 | 40.740 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | GLU | -1 | -0.767 | -0.859 | 38.581 | -8.429 | -8.429 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | GLU | -1 | -0.920 | -0.939 | 37.741 | -8.294 | -8.294 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | VAL | 0 | 0.079 | 0.036 | 36.869 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | ARG | 1 | 0.806 | 0.890 | 34.116 | 8.240 | 8.240 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | LYS | 1 | 0.935 | 0.957 | 33.301 | 8.298 | 8.298 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | ARG | 1 | 0.764 | 0.850 | 32.374 | 8.073 | 8.073 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | TRP | 0 | -0.007 | -0.012 | 30.573 | -0.544 | -0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | GLN | 0 | -0.027 | 0.003 | 28.881 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ASN | 0 | -0.085 | -0.031 | 27.920 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | LYS | 1 | 0.809 | 0.878 | 27.214 | 10.966 | 10.966 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | ILE | 0 | 0.028 | 0.004 | 24.360 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | ARG | 1 | 0.832 | 0.922 | 22.511 | 11.689 | 11.689 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | TYR | 0 | -0.009 | -0.031 | 15.830 | -0.574 | -0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | LEU | 0 | 0.011 | 0.017 | 20.903 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | LEU | 0 | -0.027 | -0.013 | 15.726 | -0.637 | -0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | VAL | 0 | -0.002 | 0.001 | 20.223 | 0.634 | 0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | ASP | -1 | -0.800 | -0.900 | 19.993 | -16.347 | -16.347 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | GLU | -1 | -0.833 | -0.916 | 21.649 | -12.496 | -12.496 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | TYR | 0 | 0.031 | -0.012 | 23.156 | 0.505 | 0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | GLN | 0 | 0.005 | 0.002 | 23.606 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | ASP | -1 | -0.748 | -0.840 | 26.650 | -10.826 | -10.826 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | THR | 0 | -0.101 | -0.055 | 27.477 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | ASN | 0 | 0.073 | 0.040 | 30.249 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | THR | 0 | 0.002 | -0.030 | 33.066 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | SER | 0 | 0.023 | 0.006 | 34.537 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | GLN | 0 | 0.004 | 0.009 | 30.882 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | TYR | 0 | -0.011 | -0.042 | 27.627 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | GLU | -1 | -0.859 | -0.937 | 30.745 | -9.292 | -9.292 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | LEU | 0 | -0.011 | -0.010 | 31.372 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | VAL | 0 | -0.017 | -0.011 | 25.951 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | LYS | 1 | 0.799 | 0.906 | 28.424 | 9.845 | 9.845 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | LEU | 0 | -0.039 | -0.018 | 30.171 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | LEU | 0 | -0.030 | -0.007 | 28.149 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | VAL | 0 | -0.025 | -0.016 | 24.556 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | GLY | 0 | 0.020 | 0.011 | 26.850 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | SER | 0 | 0.011 | -0.016 | 28.073 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | ARG | 1 | 0.891 | 0.948 | 24.401 | 11.497 | 11.497 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | ALA | 0 | 0.038 | 0.023 | 23.522 | -0.596 | -0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | ARG | 1 | 0.875 | 0.959 | 19.128 | 14.410 | 14.410 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | PHE | 0 | 0.080 | 0.037 | 19.917 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | THR | 0 | -0.060 | -0.026 | 14.829 | -1.412 | -1.412 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | VAL | 0 | 0.026 | 0.051 | 18.083 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | VAL | 0 | -0.029 | -0.024 | 16.550 | -0.825 | -0.825 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | GLY | 0 | -0.016 | -0.020 | 19.471 | 0.734 | 0.734 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | ASP | -1 | -0.735 | -0.879 | 20.127 | -14.392 | -14.392 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | ASP | -1 | -0.764 | -0.890 | 22.455 | -12.046 | -12.046 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | ASP | -1 | -0.758 | -0.841 | 25.012 | -11.333 | -11.333 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | GLN | 0 | -0.056 | -0.063 | 21.386 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | SER | 0 | -0.095 | -0.057 | 26.572 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | ILE | 0 | 0.024 | 0.020 | 29.245 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | TYR | 0 | 0.026 | 0.007 | 31.427 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | SER | 0 | -0.051 | -0.019 | 34.272 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | TRP | 0 | 0.009 | -0.004 | 35.729 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | ARG | 1 | 0.827 | 0.936 | 37.196 | 8.183 | 8.183 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | GLY | 0 | 0.046 | 0.016 | 37.456 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | ALA | 0 | -0.034 | 0.006 | 31.975 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | ARG | 0 | 0.125 | 0.085 | 32.324 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | PRO | 0 | 0.058 | 0.030 | 30.586 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | GLN | 0 | 0.038 | 0.004 | 29.691 | -0.574 | -0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | ASN | 0 | -0.032 | -0.001 | 28.598 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | LEU | 0 | 0.027 | 0.012 | 23.284 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | VAL | 0 | 0.028 | 0.021 | 26.274 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | LEU | 0 | 0.002 | -0.007 | 28.904 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | LEU | 0 | 0.019 | 0.013 | 23.505 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | SER | 0 | -0.062 | -0.050 | 25.497 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | GLN | 0 | -0.066 | -0.021 | 26.740 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | ASP | -1 | -0.803 | -0.869 | 30.036 | -10.332 | -10.332 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | PHE | 0 | 0.026 | 0.009 | 25.233 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | PRO | 0 | 0.018 | 0.013 | 25.905 | -0.401 | -0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | ALA | 0 | -0.030 | -0.021 | 22.687 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | LEU | 0 | 0.003 | 0.032 | 20.916 | -0.872 | -0.872 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | LYS | 1 | 0.797 | 0.881 | 16.824 | 15.046 | 15.046 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | VAL | 0 | 0.062 | 0.030 | 17.601 | -0.712 | -0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | ILE | 0 | -0.030 | 0.002 | 11.924 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | LYS | 1 | 0.874 | 0.939 | 14.707 | 16.669 | 16.669 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | LEU | 0 | -0.088 | -0.047 | 10.280 | -1.943 | -1.943 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | GLU | -1 | -0.802 | -0.913 | 13.536 | -15.857 | -15.857 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | GLN | 0 | -0.054 | -0.012 | 8.952 | -1.703 | -1.703 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | ASN | 0 | 0.013 | 0.003 | 12.760 | -1.174 | -1.174 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | TYR | 0 | -0.042 | -0.039 | 7.823 | -1.576 | -1.576 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | ARG | 1 | 0.733 | 0.854 | 13.229 | 14.101 | 14.101 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | SER | 0 | 0.035 | -0.003 | 16.615 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | SER | 0 | -0.010 | 0.016 | 18.254 | -0.612 | -0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | GLY | 0 | 0.019 | 0.010 | 19.483 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | ARG | 0 | -0.028 | -0.014 | 20.292 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | ILE | 0 | 0.006 | 0.014 | 22.651 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | LEU | 0 | -0.049 | -0.020 | 17.983 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | LYN | 0 | -0.046 | -0.011 | 22.285 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | ALA | 0 | 0.009 | -0.010 | 24.654 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | ALA | 0 | 0.000 | 0.000 | 24.085 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | ASN | 0 | -0.051 | -0.043 | 22.614 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | ILE | 0 | -0.009 | 0.000 | 25.241 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | LEU | 0 | 0.013 | 0.015 | 28.600 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | ILE | 0 | -0.010 | -0.005 | 25.798 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | ALA | 0 | -0.023 | -0.006 | 28.361 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | ASN | 0 | -0.062 | -0.027 | 29.902 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | ASN | 0 | -0.067 | -0.032 | 30.974 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | PRO | 0 | -0.033 | -0.003 | 31.882 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | HIS | 0 | 0.056 | -0.008 | 26.022 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | VAL | 0 | -0.083 | -0.034 | 27.997 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | PHE | 0 | -0.125 | -0.058 | 23.162 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | GLU | -1 | -0.867 | -0.933 | 23.709 | -11.769 | -11.769 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | LYS | 1 | 0.715 | 0.851 | 19.864 | 12.223 | 12.223 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | ARG | 1 | 0.857 | 0.913 | 19.308 | 14.586 | 14.586 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | LEU | 0 | 0.047 | 0.034 | 18.256 | -0.711 | -0.711 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | PHE | 0 | -0.034 | 0.001 | 12.726 | 0.540 | 0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | SER | 0 | 0.012 | -0.011 | 14.121 | -0.796 | -0.796 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | GLU | -1 | -0.833 | -0.908 | 10.037 | -19.637 | -19.637 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | LEU | 0 | -0.078 | -0.026 | 13.480 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | GLY | 0 | 0.028 | 0.007 | 15.853 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | TYR | -1 | -0.900 | -0.965 | 18.816 | -11.554 | -11.554 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | GLY | 0 | 0.004 | -0.003 | 22.260 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | ALA | 0 | -0.038 | -0.016 | 24.674 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | GLU | -1 | -0.809 | -0.879 | 28.345 | -9.301 | -9.301 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | LEU | 0 | -0.018 | 0.002 | 28.128 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | LYS | 1 | 0.842 | 0.910 | 31.719 | 9.002 | 9.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | VAL | 0 | 0.022 | 0.013 | 34.973 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | LEU | 0 | -0.031 | -0.007 | 37.356 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | SER | 0 | 0.034 | 0.013 | 40.344 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | ALA | 0 | -0.010 | 0.010 | 43.611 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | ASN | 0 | -0.017 | -0.030 | 45.919 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | ASN | 0 | 0.045 | 0.007 | 49.259 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | GLU | -1 | -0.723 | -0.879 | 47.244 | -6.419 | -6.419 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | GLU | -1 | -0.858 | -0.929 | 46.887 | -6.149 | -6.149 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | HIS | 0 | -0.019 | -0.029 | 47.042 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | GLU | -1 | -0.814 | -0.912 | 41.923 | -7.306 | -7.306 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | ALA | 0 | -0.009 | 0.007 | 42.361 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | GLU | -1 | -0.891 | -0.927 | 43.001 | -6.165 | -6.165 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | ARG | 1 | 0.838 | 0.901 | 40.808 | 6.952 | 6.952 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | VAL | 0 | 0.003 | 0.010 | 37.390 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | THR | 0 | 0.015 | -0.001 | 38.760 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | GLY | 0 | -0.014 | -0.001 | 40.260 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | GLU | -1 | -0.815 | -0.897 | 36.954 | -7.505 | -7.505 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | LEU | 0 | -0.028 | -0.002 | 34.281 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | ILE | 0 | -0.026 | -0.010 | 36.047 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | ALA | 0 | -0.024 | -0.013 | 37.999 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | HIS | 0 | -0.019 | -0.001 | 29.467 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | HIS | 0 | 0.033 | 0.024 | 33.081 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | PHE | 0 | -0.069 | -0.034 | 34.171 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | VAL | 0 | -0.054 | -0.032 | 34.745 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | ASN | 0 | -0.053 | -0.030 | 27.912 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | LYN | 0 | -0.047 | 0.004 | 30.131 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | THR | 0 | -0.051 | -0.013 | 26.932 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | GLN | 0 | 0.029 | -0.034 | 26.321 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | TYR | 0 | 0.012 | 0.012 | 30.468 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | LYS | 1 | 0.769 | 0.891 | 27.326 | 10.078 | 10.078 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | ASP | -1 | -0.849 | -0.932 | 25.873 | -10.705 | -10.705 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | TYR | 0 | -0.045 | -0.048 | 27.650 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | ALA | 0 | 0.007 | 0.017 | 29.532 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | ILE | 0 | -0.031 | -0.016 | 31.255 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | LEU | 0 | -0.010 | -0.011 | 29.788 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | TYR | 0 | 0.035 | 0.019 | 34.420 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | ARG | 1 | 0.881 | 0.943 | 36.763 | 7.963 | 7.963 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | GLY | 0 | 0.012 | 0.001 | 38.486 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | ASN | 0 | 0.010 | -0.012 | 38.924 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | HIS | 0 | -0.003 | 0.009 | 42.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | GLN | 0 | 0.056 | 0.025 | 40.944 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | SER | 0 | 0.030 | -0.003 | 41.227 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | ARG | 1 | 0.914 | 0.967 | 42.273 | 6.578 | 6.578 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 357 | VAL | 0 | -0.088 | -0.046 | 44.573 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 358 | PHE | 0 | 0.117 | 0.040 | 40.166 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 359 | GLU | -1 | -0.796 | -0.850 | 41.682 | -7.115 | -7.115 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 360 | LYS | 1 | 0.809 | 0.907 | 43.351 | 6.102 | 6.102 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 361 | PHE | 0 | 0.039 | 0.004 | 44.469 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 362 | LEU | 0 | 0.043 | 0.039 | 38.610 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 363 | MET | 0 | 0.028 | 0.015 | 42.372 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 364 | GLN | 0 | -0.078 | -0.036 | 44.722 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 365 | ASN | 0 | -0.053 | -0.033 | 43.364 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 366 | ARG | 1 | 0.840 | 0.905 | 43.492 | 6.196 | 6.196 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 367 | ILE | 0 | 0.013 | 0.033 | 37.946 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 368 | PRO | 0 | -0.002 | 0.015 | 36.882 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 369 | TYR | 0 | -0.065 | -0.070 | 36.356 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 370 | LYN | 0 | 0.007 | 0.023 | 32.168 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 371 | ILE | 0 | -0.015 | -0.019 | 36.556 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 372 | SER | 0 | -0.059 | -0.045 | 35.200 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 373 | GLY | 0 | 0.073 | 0.042 | 35.311 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 374 | GLY | 0 | -0.008 | 0.019 | 37.821 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 375 | THR | 0 | -0.107 | -0.067 | 40.857 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 376 | SER | 0 | 0.065 | 0.033 | 39.272 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 377 | PHE | 0 | 0.053 | 0.019 | 39.540 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 378 | PHE | 0 | 0.036 | -0.004 | 38.422 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 379 | SER | 0 | -0.010 | -0.007 | 42.823 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 380 | ARG | 1 | 0.916 | 0.979 | 43.312 | 7.298 | 7.298 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 381 | PRO | 0 | -0.015 | -0.013 | 46.915 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 382 | GLU | -1 | -0.702 | -0.843 | 48.188 | -6.498 | -6.498 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 383 | ILE | 0 | -0.023 | 0.011 | 43.893 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 384 | LYS | 1 | 0.791 | 0.880 | 46.862 | 6.898 | 6.898 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 385 | ASP | -1 | -0.801 | -0.846 | 48.669 | -5.990 | -5.990 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 386 | LEU | 0 | 0.023 | 0.007 | 48.996 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 387 | LEU | 0 | -0.006 | 0.001 | 43.748 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 388 | ALA | 0 | -0.002 | 0.006 | 47.761 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 389 | TYR | 0 | 0.032 | -0.002 | 50.803 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 390 | LEU | 0 | 0.013 | 0.008 | 46.015 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 391 | ARG | 1 | 0.807 | 0.897 | 46.840 | 6.711 | 6.711 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 392 | VAL | 0 | -0.005 | -0.001 | 49.327 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 393 | LEU | 0 | -0.036 | -0.019 | 51.161 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 394 | THR | 0 | -0.072 | -0.048 | 46.502 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 395 | ASN | 0 | -0.014 | -0.024 | 48.694 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 396 | PRO | 0 | 0.037 | 0.022 | 50.659 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 397 | ASP | -1 | -0.799 | -0.872 | 52.756 | -5.878 | -5.878 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 398 | ASP | -1 | -0.739 | -0.803 | 50.378 | -6.471 | -6.471 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 399 | ASP | -1 | -0.765 | -0.906 | 52.973 | -5.577 | -5.577 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 400 | SER | 0 | -0.111 | -0.059 | 52.125 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 401 | ALA | 0 | 0.009 | 0.012 | 51.517 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 402 | PHE | 0 | 0.045 | -0.001 | 53.534 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 403 | LEU | 0 | -0.041 | -0.032 | 57.041 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 404 | ARG | 1 | 0.847 | 0.926 | 51.768 | 6.287 | 6.287 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 405 | ILE | 0 | -0.027 | 0.010 | 53.935 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 406 | VAL | 0 | -0.032 | -0.009 | 57.565 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 407 | ASN | 0 | -0.068 | -0.060 | 61.115 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 408 | THR | 0 | 0.044 | 0.014 | 57.009 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 409 | PRO | 0 | 0.005 | 0.010 | 57.305 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 410 | LYS | 1 | 0.864 | 0.941 | 59.996 | 5.126 | 5.126 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 411 | ARG | 1 | 0.963 | 0.984 | 63.725 | 4.923 | 4.923 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 412 | GLU | -1 | -0.817 | -0.890 | 65.915 | -4.543 | -4.543 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 413 | ILE | 0 | 0.006 | 0.027 | 64.282 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 414 | GLY | 0 | 0.046 | 0.022 | 66.792 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 415 | PRO | 0 | 0.069 | 0.029 | 67.133 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 416 | ALA | 0 | -0.018 | -0.010 | 68.430 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 417 | THR | 0 | -0.063 | -0.047 | 69.077 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 418 | LEU | 0 | 0.060 | 0.032 | 63.784 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 419 | LYS | 1 | 0.812 | 0.897 | 66.690 | 4.574 | 4.574 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 420 | LYS | 1 | 0.959 | 0.980 | 68.665 | 4.398 | 4.398 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 421 | LEU | 0 | -0.018 | -0.002 | 64.488 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 422 | GLY | 0 | 0.101 | 0.035 | 64.750 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 423 | GLU | -1 | -0.832 | -0.899 | 65.717 | -4.625 | -4.625 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 424 | TRP | 0 | -0.017 | -0.014 | 67.493 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 425 | ALA | 0 | 0.005 | -0.009 | 63.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 426 | MET | 0 | 0.027 | 0.024 | 61.473 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 427 | THR | 0 | -0.050 | -0.037 | 64.733 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 428 | ARG | 1 | 0.805 | 0.900 | 66.358 | 4.663 | 4.663 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 429 | ASN | 0 | -0.065 | -0.030 | 61.854 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 430 | LYS | 1 | 0.823 | 0.911 | 60.066 | 4.989 | 4.989 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 431 | SER | 0 | 0.064 | 0.037 | 57.395 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 432 | MET | 0 | -0.036 | -0.026 | 59.389 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 433 | PHE | 0 | -0.022 | -0.008 | 57.794 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 434 | THR | 0 | 0.013 | 0.000 | 58.915 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 435 | ALA | 0 | -0.014 | -0.016 | 61.381 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 436 | SER | 0 | -0.050 | -0.041 | 64.157 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 437 | PHE | 0 | 0.008 | 0.005 | 61.960 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 438 | ASP | -1 | -0.799 | -0.856 | 66.434 | -4.873 | -4.873 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 439 | MET | 0 | 0.018 | 0.006 | 68.605 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 440 | GLY | 0 | 0.011 | 0.001 | 72.055 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 441 | LEU | 0 | 0.009 | 0.030 | 68.031 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 442 | SER | 0 | -0.002 | -0.015 | 71.869 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 443 | GLN | 0 | -0.066 | -0.036 | 74.643 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 444 | THR | 0 | -0.046 | -0.019 | 73.113 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 445 | LEU | 0 | -0.085 | -0.048 | 70.936 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 446 | SER | 0 | 0.067 | 0.034 | 74.752 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 447 | GLY | 0 | 0.007 | 0.002 | 76.262 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 448 | ARG | 1 | 0.881 | 0.896 | 73.848 | 4.340 | 4.340 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 449 | GLY | 0 | 0.025 | 0.021 | 72.090 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 450 | TYR | 0 | 0.039 | 0.023 | 70.902 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 451 | GLU | -1 | -0.928 | -0.950 | 71.169 | -4.626 | -4.626 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 452 | ALA | 0 | 0.040 | 0.018 | 69.176 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 453 | LEU | 0 | -0.009 | -0.007 | 65.206 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 454 | THR | 0 | -0.004 | -0.013 | 66.201 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 455 | ARG | 1 | 0.901 | 0.942 | 65.572 | 4.839 | 4.839 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 456 | PHE | 0 | 0.002 | 0.015 | 59.290 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 457 | THR | 0 | 0.057 | 0.032 | 61.992 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 458 | HIS | 0 | -0.005 | -0.003 | 61.880 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 459 | TRP | 0 | -0.048 | -0.013 | 57.947 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 460 | LEU | 0 | 0.039 | 0.021 | 55.882 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 461 | ALA | 0 | 0.028 | 0.013 | 57.696 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 462 | GLU | -1 | -0.828 | -0.887 | 58.663 | -5.337 | -5.337 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 463 | ILE | 0 | 0.006 | 0.005 | 54.543 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 464 | GLN | 0 | -0.010 | -0.008 | 53.651 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 465 | ARG | 1 | 0.826 | 0.881 | 53.981 | 5.286 | 5.286 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 466 | LEU | 0 | -0.040 | -0.005 | 54.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 467 | ALA | 0 | 0.039 | -0.002 | 50.360 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 468 | GLU | -1 | -0.982 | -0.982 | 49.801 | -6.418 | -6.418 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 469 | ARG | 1 | 0.719 | 0.862 | 49.956 | 5.878 | 5.878 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 470 | GLU | -1 | -0.836 | -0.918 | 49.230 | -6.098 | -6.098 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 471 | PRO | 0 | 0.019 | 0.008 | 46.061 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 472 | ILE | 0 | 0.046 | 0.030 | 46.427 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 473 | ALA | 0 | 0.028 | 0.009 | 48.337 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 474 | ALA | 0 | 0.025 | 0.018 | 51.780 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 475 | VAL | 0 | 0.016 | 0.000 | 48.529 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 476 | ARG | 1 | 0.896 | 0.934 | 50.846 | 6.216 | 6.216 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 477 | ASP | -1 | -0.897 | -0.954 | 52.452 | -5.683 | -5.683 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 478 | LEU | 0 | -0.050 | -0.018 | 52.836 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 479 | ILE | 0 | -0.024 | -0.019 | 50.465 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 480 | HIS | 0 | 0.020 | 0.013 | 54.538 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 481 | GLY | 0 | -0.010 | 0.009 | 57.486 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 482 | MET | 0 | -0.103 | -0.040 | 54.385 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 483 | ASP | -1 | -0.860 | -0.933 | 58.922 | -5.343 | -5.343 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 484 | TYR | 0 | -0.022 | -0.054 | 52.833 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 485 | GLU | -1 | -0.867 | -0.948 | 54.687 | -5.881 | -5.881 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 486 | SER | 0 | -0.023 | -0.008 | 56.236 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 487 | TRP | 0 | 0.039 | 0.019 | 56.938 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 488 | LEU | 0 | -0.028 | -0.012 | 52.266 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 489 | TYR | 0 | -0.041 | -0.030 | 54.765 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 490 | GLU | -1 | -0.974 | -0.961 | 58.803 | -4.965 | -4.965 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 491 | THR | 0 | -0.059 | -0.032 | 56.923 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 492 | SER | 0 | -0.040 | -0.033 | 55.114 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 493 | PRO | 0 | -0.027 | -0.018 | 55.446 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 494 | SER | 0 | -0.009 | -0.002 | 55.510 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 495 | PRO | 0 | 0.084 | 0.034 | 56.081 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 496 | LYS | 1 | 0.974 | 0.986 | 52.358 | 5.761 | 5.761 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 497 | ALA | 0 | -0.001 | 0.008 | 51.623 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 498 | ALA | 0 | 0.032 | 0.024 | 51.839 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 499 | GLU | -1 | -0.808 | -0.885 | 50.066 | -6.343 | -6.343 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 500 | MET | 0 | -0.002 | 0.018 | 44.479 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 501 | ARG | 1 | 0.858 | 0.896 | 47.642 | 5.951 | 5.951 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 502 | MET | 0 | -0.006 | 0.016 | 49.059 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 503 | LYS | 1 | 0.834 | 0.910 | 45.518 | 6.384 | 6.384 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 504 | ASN | 0 | -0.064 | -0.051 | 44.496 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 505 | VAL | 0 | 0.029 | 0.003 | 45.050 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 506 | ASN | 0 | -0.053 | -0.038 | 46.249 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 507 | GLN | 0 | 0.060 | 0.036 | 38.076 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 508 | LEU | 0 | -0.030 | -0.008 | 41.703 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 509 | PHE | 0 | -0.011 | -0.005 | 43.142 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 510 | SER | 0 | 0.020 | 0.020 | 41.098 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 511 | TRP | 0 | 0.077 | 0.030 | 35.191 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 512 | MET | 0 | -0.036 | -0.021 | 39.333 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 513 | THR | 0 | -0.040 | -0.030 | 41.561 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 514 | GLU | -1 | -0.914 | -0.956 | 35.004 | -8.989 | -8.989 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 515 | MET | 0 | -0.059 | -0.020 | 36.263 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 516 | LEU | 0 | -0.073 | -0.036 | 37.976 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 517 | GLU | -1 | -0.953 | -0.979 | 39.539 | -7.564 | -7.564 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 518 | GLY | 0 | -0.035 | -0.014 | 35.908 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 519 | SER | 0 | 0.011 | 0.017 | 30.993 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 520 | GLU | -1 | -0.810 | -0.894 | 29.543 | -9.888 | -9.888 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 521 | LEU | 0 | -0.098 | -0.066 | 24.177 | -0.580 | -0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 522 | ASP | -1 | -0.810 | -0.885 | 27.399 | -11.741 | -11.741 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 523 | GLU | -1 | -0.799 | -0.904 | 30.146 | -10.016 | -10.016 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 524 | PRO | 0 | 0.058 | 0.031 | 32.976 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 525 | MET | 0 | -0.099 | -0.023 | 35.192 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 526 | THR | 0 | 0.036 | -0.010 | 38.580 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 527 | LEU | 0 | 0.093 | 0.035 | 41.776 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 528 | THR | 0 | 0.082 | 0.028 | 43.791 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 529 | GLN | 0 | -0.013 | 0.030 | 36.877 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 530 | VAL | 0 | 0.062 | 0.032 | 39.537 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 531 | VAL | 0 | 0.043 | 0.025 | 40.604 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 532 | THR | 0 | -0.041 | -0.019 | 38.407 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 533 | ARG | 1 | 0.781 | 0.879 | 32.702 | 9.491 | 9.491 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 534 | PHE | 0 | 0.038 | 0.010 | 37.953 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 535 | THR | 0 | -0.020 | -0.022 | 40.357 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 536 | LEU | 0 | -0.042 | -0.020 | 35.910 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 537 | ARG | 1 | 0.750 | 0.843 | 36.549 | 7.686 | 7.686 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 538 | ASP | -1 | -0.830 | -0.915 | 32.990 | -10.156 | -10.156 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 539 | MET | 0 | -0.060 | -0.019 | 34.973 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 540 | MET | 0 | -0.026 | -0.022 | 31.861 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 541 | GLU | -1 | -0.809 | -0.889 | 30.117 | -10.322 | -10.322 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 542 | ARG | 1 | 0.853 | 0.909 | 25.878 | 11.660 | 11.660 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 543 | GLY | 0 | 0.009 | 0.002 | 30.404 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 544 | GLU | -1 | -0.938 | -0.931 | 31.801 | -8.866 | -8.866 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 545 | SER | 0 | 0.003 | -0.048 | 28.727 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 546 | GLU | -1 | -1.053 | -1.008 | 26.292 | -10.343 | -10.343 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 547 | GLU | -1 | -0.961 | -0.994 | 27.944 | -8.680 | -8.680 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 548 | GLU | -1 | -0.839 | -0.892 | 26.540 | -10.316 | -10.316 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 549 | LEU | 0 | 0.042 | 0.017 | 29.867 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 550 | ASP | -1 | -0.906 | -0.948 | 30.839 | -8.690 | -8.690 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 551 | GLN | 0 | -0.027 | -0.030 | 31.876 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 552 | VAL | 0 | 0.015 | -0.007 | 32.448 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 553 | GLN | 0 | 0.015 | 0.007 | 29.358 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 554 | LEU | 0 | -0.024 | 0.008 | 32.348 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 555 | MET | 0 | -0.047 | -0.019 | 29.583 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 556 | THR | 0 | 0.029 | 0.010 | 34.764 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 557 | LEU | 0 | 0.045 | 0.028 | 31.607 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 558 | HIS | 0 | -0.012 | -0.015 | 31.578 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 559 | ALA | 0 | -0.068 | -0.026 | 32.056 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 560 | SER | 0 | 0.010 | -0.005 | 28.596 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 561 | LYS | 1 | 0.755 | 0.860 | 26.486 | 11.132 | 11.132 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 562 | GLY | 0 | -0.003 | 0.009 | 23.035 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 563 | LEU | 0 | -0.039 | -0.008 | 22.994 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 564 | GLU | -1 | -0.833 | -0.933 | 18.472 | -15.239 | -15.239 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 565 | PHE | 0 | 0.049 | 0.018 | 23.062 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 566 | PRO | 0 | -0.017 | 0.006 | 23.037 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 567 | TYR | 0 | 0.045 | 0.011 | 24.275 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 568 | VAL | 0 | 0.011 | 0.013 | 27.295 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 569 | TYR | 0 | 0.025 | 0.010 | 29.957 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 570 | MET | 0 | -0.018 | 0.005 | 31.525 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 571 | VAL | 0 | -0.038 | -0.021 | 34.459 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 572 | GLY | 0 | 0.009 | 0.008 | 38.254 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 573 | MET | 0 | -0.062 | -0.027 | 35.321 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 574 | GLU | -1 | -0.781 | -0.909 | 39.544 | -6.842 | -6.842 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 575 | GLU | -1 | -0.768 | -0.876 | 42.346 | -7.479 | -7.479 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 576 | GLY | 0 | -0.026 | -0.011 | 43.751 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 577 | PHE | 0 | -0.018 | -0.012 | 42.225 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 578 | LEU | 0 | 0.019 | 0.004 | 35.201 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 579 | PRO | 0 | -0.012 | -0.008 | 39.158 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 580 | HIS | 0 | -0.005 | 0.017 | 40.377 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 581 | GLN | 0 | 0.061 | 0.008 | 42.782 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 582 | SER | 0 | -0.041 | -0.019 | 42.951 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 583 | SER | 0 | -0.036 | -0.045 | 40.541 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 584 | ILE | 0 | -0.062 | -0.027 | 42.937 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 585 | ASP | -1 | -1.002 | -1.001 | 44.819 | -6.446 | -6.446 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 586 | GLU | -1 | -1.022 | -0.995 | 43.835 | -6.862 | -6.862 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 587 | ASP | -1 | -0.905 | -0.960 | 42.617 | -7.436 | -7.436 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 588 | ASN | 0 | -0.034 | -0.001 | 37.763 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 589 | ILE | 0 | 0.001 | -0.013 | 38.030 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 590 | ASP | -1 | -0.779 | -0.901 | 34.409 | -8.977 | -8.977 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 591 | GLU | -1 | -0.854 | -0.933 | 33.721 | -9.483 | -9.483 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 592 | GLU | -1 | -0.763 | -0.846 | 34.166 | -8.386 | -8.386 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 593 | ARG | 1 | 0.786 | 0.879 | 32.716 | 8.597 | 8.597 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 594 | ARG | 1 | 0.872 | 0.949 | 29.474 | 9.852 | 9.852 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 595 | LEU | 0 | -0.005 | -0.007 | 30.062 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 596 | ALA | 0 | 0.007 | 0.006 | 31.513 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 597 | TYR | 0 | 0.015 | -0.003 | 22.946 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 598 | VAL | 0 | -0.018 | 0.005 | 26.757 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 599 | GLY | 0 | 0.022 | 0.003 | 26.978 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 600 | ILE | 0 | 0.014 | -0.002 | 26.055 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 601 | THR | 0 | -0.056 | -0.045 | 22.712 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 602 | ARG | 0 | -0.024 | 0.011 | 22.667 | -1.052 | -1.052 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 603 | ALA | 0 | 0.012 | 0.019 | 23.817 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 604 | GLN | 0 | -0.067 | -0.038 | 18.571 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 605 | LYS | 1 | 0.876 | 0.939 | 18.360 | 12.783 | 12.783 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 606 | GLU | -1 | -0.791 | -0.878 | 23.497 | -9.104 | -9.104 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 607 | LEU | 0 | 0.023 | 0.008 | 26.986 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 608 | THR | 0 | -0.053 | -0.015 | 29.350 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 609 | PHE | 0 | 0.076 | 0.022 | 30.973 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 610 | THR | 0 | -0.067 | -0.051 | 35.425 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 611 | LEU | 0 | 0.004 | 0.037 | 38.964 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 612 | CYS | 0 | -0.065 | -0.003 | 42.139 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 613 | LYS | 1 | 0.886 | 0.930 | 45.839 | 5.954 | 5.954 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 614 | GLU | -1 | -0.790 | -0.889 | 48.738 | -5.550 | -5.550 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 615 | ARG | 1 | 0.838 | 0.929 | 48.094 | 6.373 | 6.373 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 616 | ARG | 1 | 0.845 | 0.911 | 48.309 | 6.315 | 6.315 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 617 | GLN | 0 | 0.013 | 0.009 | 50.770 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 618 | TYR | 0 | 0.000 | -0.027 | 53.493 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 619 | GLY | 0 | -0.021 | 0.006 | 56.604 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 620 | GLU | -1 | -0.950 | -0.966 | 57.706 | -5.003 | -5.003 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 621 | LEU | 0 | -0.047 | -0.017 | 55.452 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 622 | VAL | 0 | -0.021 | -0.021 | 52.372 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 623 | ARG | 1 | 0.865 | 0.925 | 51.725 | 5.450 | 5.450 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 624 | PRO | 0 | -0.075 | -0.017 | 47.081 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 625 | GLU | -1 | -0.857 | -0.931 | 46.299 | -6.380 | -6.380 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 626 | PRO | 0 | 0.017 | 0.001 | 41.478 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 627 | SER | 0 | -0.031 | -0.027 | 38.785 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 628 | ARG | 1 | 0.912 | 0.927 | 38.908 | 7.337 | 7.337 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 629 | PHE | 0 | 0.009 | -0.004 | 34.912 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 630 | LEU | 0 | -0.026 | -0.014 | 35.095 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 631 | LEU | 0 | -0.038 | -0.032 | 36.790 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 632 | GLU | -1 | -0.837 | -0.893 | 34.457 | -8.564 | -8.564 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 633 | LEU | 0 | -0.009 | 0.015 | 30.663 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 634 | PRO | 0 | -0.009 | -0.004 | 28.759 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 635 | GLN | 0 | -0.024 | -0.036 | 32.029 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 636 | ASP | -1 | -0.938 | -0.955 | 30.833 | -8.969 | -8.969 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 637 | ASH | 0 | -0.016 | -0.025 | 28.486 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 638 | LEU | 0 | -0.022 | 0.010 | 31.506 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 639 | ILE | 0 | -0.026 | -0.012 | 34.299 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 640 | TRP | 0 | 0.020 | 0.005 | 37.050 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |