FMODB ID: 17V8Z
Calculation Name: 3DET-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3DET
Chain ID: A
UniProt ID: P37019
Base Structure: X-ray
Registration Date: 2023-06-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 444 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7669697.197042 |
---|---|
FMO2-HF: Nuclear repulsion | 7504593.516971 |
FMO2-HF: Total energy | -165103.680071 |
FMO2-MP2: Total energy | -165583.750308 |
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:17:ARG)
Summations of interaction energy for
fragment #1(A:17: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. |
109.309 | 112.052 | 0.019 | -0.894 | -1.866 | 0.002 |
Interaction energy analysis for fragmet #1(A:17: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 | 19 | ARG | 1 | 1.008 | 0.998 | 3.464 | 26.100 | 27.755 | 0.005 | -0.683 | -0.976 | 0.002 |
4 | A | 20 | GLN | 0 | 0.021 | 0.024 | 3.545 | -1.160 | -0.378 | 0.015 | -0.167 | -0.629 | 0.000 |
5 | A | 21 | LEU | 0 | 0.045 | 0.023 | 4.648 | 2.667 | 2.973 | -0.001 | -0.044 | -0.261 | 0.000 |
6 | A | 22 | ILE | 0 | 0.013 | -0.003 | 6.355 | 3.261 | 3.261 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 23 | ARG | 1 | 0.814 | 0.890 | 8.087 | 21.485 | 21.485 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 24 | GLN | 0 | 0.030 | 0.002 | 7.445 | -1.204 | -1.204 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 25 | LEU | 0 | -0.012 | -0.010 | 9.510 | 1.662 | 1.662 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 26 | LEU | 0 | -0.013 | -0.007 | 12.127 | 1.420 | 1.420 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 27 | GLU | -1 | -0.803 | -0.859 | 14.049 | -15.644 | -15.644 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 28 | ARG | 1 | 0.936 | 0.970 | 13.106 | 19.718 | 19.718 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 29 | ASP | -1 | -0.838 | -0.918 | 15.521 | -13.895 | -13.895 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 30 | LYS | 1 | 0.878 | 0.936 | 18.561 | 16.215 | 16.215 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 31 | THR | 0 | 0.009 | 0.018 | 20.600 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 32 | PRO | 0 | 0.014 | 0.008 | 21.905 | 0.569 | 0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 33 | LEU | 0 | 0.058 | 0.024 | 25.018 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 34 | ALA | 0 | 0.024 | 0.010 | 28.417 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 35 | ILE | 0 | 0.011 | 0.006 | 23.962 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 36 | LEU | 0 | -0.006 | -0.006 | 24.931 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 37 | PHE | 0 | 0.015 | 0.009 | 28.483 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 38 | MET | 0 | -0.002 | -0.004 | 30.662 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 39 | ALA | 0 | -0.001 | -0.004 | 28.762 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 40 | ALA | 0 | 0.046 | 0.035 | 30.908 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 41 | VAL | 0 | 0.010 | 0.023 | 33.982 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 42 | VAL | 0 | 0.003 | 0.010 | 32.041 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 43 | GLY | 0 | 0.043 | 0.010 | 33.864 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 44 | THR | 0 | -0.030 | -0.034 | 34.930 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 45 | LEU | 0 | -0.004 | -0.008 | 38.196 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 46 | VAL | 0 | -0.035 | -0.003 | 34.905 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 47 | GLY | 0 | 0.047 | 0.022 | 38.076 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 48 | LEU | 0 | -0.013 | 0.001 | 39.725 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 49 | ALA | 0 | -0.020 | -0.005 | 40.752 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 50 | ALA | 0 | 0.005 | -0.008 | 39.946 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 51 | VAL | 0 | 0.012 | 0.021 | 42.078 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 52 | ALA | 0 | -0.009 | -0.005 | 45.131 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 53 | PHE | 0 | -0.041 | -0.019 | 44.187 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 54 | ASP | -1 | -0.801 | -0.874 | 45.031 | -6.700 | -6.700 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 55 | LYS | 1 | 0.869 | 0.915 | 46.833 | 6.745 | 6.745 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 56 | GLY | 0 | 0.022 | 0.018 | 49.690 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 57 | VAL | 0 | -0.018 | -0.022 | 47.318 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 58 | ALA | 0 | 0.001 | 0.005 | 50.514 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 59 | TRP | 0 | 0.023 | 0.015 | 52.429 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 60 | LEU | 0 | -0.001 | -0.003 | 52.465 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 61 | GLN | 0 | -0.081 | -0.040 | 50.246 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 62 | ASN | 0 | -0.003 | 0.004 | 55.618 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 63 | GLN | 0 | -0.010 | -0.005 | 58.384 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 64 | ARG | 1 | 0.868 | 0.940 | 54.706 | 5.802 | 5.802 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 65 | MET | 0 | 0.018 | 0.011 | 58.883 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 66 | GLY | 0 | 0.026 | 0.008 | 61.417 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 67 | ALA | 0 | -0.021 | -0.020 | 63.658 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 68 | LEU | 0 | -0.004 | 0.003 | 61.661 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 69 | VAL | 0 | 0.011 | 0.013 | 65.588 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 70 | HIS | 0 | -0.050 | -0.014 | 67.929 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 71 | THR | 0 | -0.042 | -0.034 | 68.511 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 72 | ALA | 0 | -0.006 | -0.010 | 69.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 73 | ASP | -1 | -0.876 | -0.931 | 70.765 | -4.306 | -4.306 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 74 | ASN | 0 | -0.008 | 0.003 | 73.324 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 75 | TYR | 0 | 0.070 | 0.021 | 66.706 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 76 | PRO | 0 | 0.033 | 0.006 | 69.638 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 77 | LEU | 0 | 0.013 | 0.028 | 69.644 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 78 | LEU | 0 | 0.019 | 0.027 | 65.838 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 79 | LEU | 0 | -0.008 | -0.015 | 64.736 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 80 | THR | 0 | -0.042 | -0.023 | 64.644 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 81 | VAL | 0 | -0.005 | -0.010 | 64.983 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 82 | ALA | 0 | 0.022 | 0.020 | 61.712 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 83 | PHE | 0 | -0.030 | -0.001 | 59.925 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 84 | LEU | 0 | 0.020 | -0.008 | 60.145 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 85 | CYS | 0 | -0.044 | -0.021 | 60.365 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 86 | SER | 0 | -0.015 | -0.033 | 55.856 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 87 | ALA | 0 | 0.008 | 0.015 | 55.934 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 88 | VAL | 0 | -0.016 | -0.013 | 57.021 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 89 | LEU | 0 | -0.008 | 0.003 | 54.203 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 90 | ALA | 0 | 0.034 | 0.024 | 52.334 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 91 | MET | 0 | -0.050 | -0.010 | 52.457 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 92 | PHE | 0 | -0.001 | -0.002 | 51.746 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 93 | GLY | 0 | 0.038 | 0.014 | 49.943 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 94 | TYR | 0 | -0.028 | -0.030 | 48.617 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 95 | PHE | 0 | 0.012 | -0.001 | 49.076 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 96 | LEU | 0 | 0.016 | 0.005 | 48.133 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 97 | VAL | 0 | -0.003 | 0.003 | 43.632 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 98 | ARG | 1 | 0.848 | 0.923 | 43.000 | 7.011 | 7.011 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 99 | LYS | 1 | 0.939 | 0.995 | 47.884 | 6.062 | 6.062 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 100 | TYR | 0 | -0.042 | -0.018 | 47.009 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 101 | ALA | 0 | 0.018 | 0.012 | 41.695 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 102 | PRO | 0 | 0.031 | 0.024 | 41.707 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 103 | GLU | -1 | -0.730 | -0.847 | 37.206 | -8.032 | -8.032 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 104 | ALA | 0 | -0.031 | 0.001 | 38.511 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 105 | GLY | 0 | 0.043 | 0.020 | 40.834 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 106 | GLY | 0 | 0.012 | 0.009 | 39.851 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 107 | SER | 0 | 0.010 | 0.005 | 35.691 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 108 | GLY | 0 | 0.046 | 0.016 | 36.102 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 109 | ILE | 0 | 0.003 | -0.002 | 30.782 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 110 | PRO | 0 | 0.019 | -0.001 | 30.961 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 111 | GLU | -1 | -0.774 | -0.842 | 30.656 | -9.441 | -9.441 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 112 | ILE | 0 | -0.031 | -0.016 | 28.839 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 113 | GLH | 0 | -0.039 | -0.047 | 26.665 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 114 | GLY | 0 | 0.042 | 0.007 | 26.214 | -0.411 | -0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 115 | ALA | 0 | -0.063 | -0.025 | 27.418 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 116 | LEU | 0 | -0.018 | -0.013 | 23.664 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 117 | GLU | -1 | -0.828 | -0.894 | 21.310 | -15.165 | -15.165 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 118 | ASP | -1 | -0.819 | -0.858 | 23.217 | -13.097 | -13.097 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 119 | GLN | 0 | -0.018 | -0.007 | 24.508 | 0.472 | 0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 120 | ARG | 1 | 0.784 | 0.850 | 27.995 | 9.666 | 9.666 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 121 | PRO | 0 | -0.015 | 0.005 | 30.745 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 122 | VAL | 0 | 0.043 | 0.015 | 30.878 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 123 | ARG | 1 | 0.840 | 0.890 | 33.854 | 8.124 | 8.124 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 124 | TRP | 0 | 0.024 | -0.003 | 35.703 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 125 | TRP | 0 | 0.017 | 0.004 | 36.914 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 126 | ARG | 1 | 0.855 | 0.927 | 41.240 | 7.289 | 7.289 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 127 | VAL | 0 | -0.001 | -0.016 | 37.833 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 128 | LEU | 0 | -0.011 | 0.010 | 38.453 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 129 | PRO | 0 | 0.031 | 0.016 | 41.692 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 130 | VAL | 0 | -0.007 | 0.001 | 43.857 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 131 | LYS | 1 | 0.791 | 0.900 | 39.153 | 8.063 | 8.063 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 132 | PHE | 0 | -0.018 | 0.004 | 43.083 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 133 | PHE | 0 | 0.033 | 0.003 | 44.956 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 134 | GLY | 0 | 0.020 | 0.012 | 47.128 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 135 | GLY | 0 | 0.001 | -0.008 | 45.282 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 136 | LEU | 0 | 0.000 | -0.001 | 46.210 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 137 | GLY | 0 | 0.008 | 0.018 | 49.185 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 138 | THR | 0 | -0.010 | -0.030 | 46.509 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 139 | LEU | 0 | -0.032 | -0.012 | 44.624 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 140 | GLY | 0 | 0.052 | 0.034 | 48.746 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 141 | GLY | 0 | 0.016 | 0.007 | 52.122 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 142 | GLY | 0 | -0.023 | 0.005 | 51.725 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 143 | MET | 0 | -0.021 | -0.014 | 48.428 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 144 | VAL | 0 | -0.040 | -0.011 | 46.029 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 145 | LEU | 0 | -0.052 | -0.029 | 43.440 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 146 | GLY | 0 | 0.036 | 0.001 | 41.777 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 147 | ARG | 1 | 0.884 | 0.911 | 41.579 | 6.838 | 6.838 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 148 | ALA | 0 | 0.066 | 0.038 | 36.209 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 149 | GLY | 0 | -0.005 | 0.011 | 36.563 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 150 | PRO | 0 | 0.010 | -0.015 | 37.148 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 151 | THR | 0 | 0.013 | -0.001 | 37.660 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 152 | VAL | 0 | 0.011 | 0.027 | 32.009 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 153 | GLN | 0 | 0.005 | -0.012 | 33.948 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 154 | ILE | 0 | -0.007 | -0.006 | 35.633 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 155 | GLY | 0 | 0.075 | 0.026 | 34.644 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 156 | GLY | 0 | 0.004 | 0.007 | 31.650 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 157 | ASN | 0 | -0.057 | -0.060 | 32.427 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 158 | ILE | 0 | 0.022 | 0.009 | 35.238 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 159 | GLY | 0 | 0.036 | 0.012 | 31.750 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 160 | ARG | 1 | 0.786 | 0.857 | 30.364 | 9.688 | 9.688 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 161 | MET | 0 | 0.007 | 0.010 | 32.797 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 162 | VAL | 0 | 0.023 | 0.005 | 32.955 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 163 | LEU | 0 | -0.026 | 0.008 | 28.220 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 164 | ASP | -1 | -0.771 | -0.843 | 32.383 | -9.242 | -9.242 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 165 | ILE | 0 | -0.042 | -0.010 | 35.086 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 166 | PHE | 0 | 0.008 | -0.003 | 34.559 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 167 | ARG | 1 | 0.858 | 0.919 | 33.637 | 8.346 | 8.346 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 168 | LEU | 0 | 0.016 | 0.013 | 29.413 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 169 | LYS | 1 | 0.960 | 0.976 | 26.452 | 10.764 | 10.764 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 170 | GLY | 0 | 0.027 | 0.003 | 24.201 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 171 | ASP | -1 | -0.810 | -0.883 | 20.114 | -13.946 | -13.946 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 172 | GLU | -1 | -0.818 | -0.899 | 20.166 | -14.469 | -14.469 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 173 | ALA | 0 | 0.010 | 0.011 | 21.510 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 174 | ARG | 1 | 0.721 | 0.799 | 22.368 | 13.300 | 13.300 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 175 | HIS | 0 | -0.022 | -0.030 | 20.285 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 176 | THR | 0 | 0.018 | 0.002 | 22.426 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 177 | LEU | 0 | -0.017 | -0.006 | 24.298 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 178 | LEU | 0 | -0.017 | 0.021 | 26.688 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 179 | ALA | 0 | 0.039 | 0.015 | 24.598 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 180 | THR | 0 | -0.019 | -0.021 | 26.632 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 181 | GLY | 0 | 0.057 | 0.026 | 28.639 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 182 | ALA | 0 | -0.029 | -0.014 | 28.758 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 183 | ALA | 0 | 0.018 | 0.005 | 27.989 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 184 | ALA | 0 | -0.013 | -0.002 | 30.109 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 185 | GLY | 0 | 0.059 | 0.020 | 33.228 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 186 | LEU | 0 | -0.039 | -0.012 | 30.969 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 187 | ALA | 0 | 0.008 | 0.010 | 33.101 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 188 | ALA | 0 | 0.003 | -0.005 | 34.843 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 189 | ALA | 0 | -0.100 | -0.032 | 37.399 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 190 | PHE | 0 | -0.012 | -0.038 | 35.692 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 191 | ASN | 0 | 0.070 | 0.043 | 38.879 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 192 | ALA | 0 | 0.003 | 0.025 | 34.911 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 193 | PRO | 0 | 0.023 | -0.001 | 32.561 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 194 | LEU | 0 | -0.005 | -0.011 | 28.976 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 195 | ALA | 0 | 0.026 | 0.004 | 28.663 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 196 | GLY | 0 | -0.002 | -0.004 | 29.430 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 197 | ILE | 0 | -0.019 | -0.020 | 24.867 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 198 | LEU | 0 | -0.017 | -0.016 | 23.495 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 199 | PHE | 0 | 0.057 | 0.027 | 24.661 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 200 | ILE | 0 | -0.042 | -0.023 | 23.348 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 201 | ILE | 0 | -0.034 | -0.025 | 19.975 | -0.520 | -0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 202 | GLU | -1 | -0.795 | -0.852 | 20.116 | -12.663 | -12.663 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 203 | GLU | -1 | -0.854 | -0.907 | 22.077 | -12.120 | -12.120 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 204 | MET | 0 | -0.075 | -0.022 | 24.190 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 205 | ARG | 1 | 0.895 | 0.966 | 15.472 | 17.459 | 17.459 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 206 | PRO | 0 | 0.022 | 0.000 | 18.619 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 207 | GLN | 0 | -0.023 | -0.010 | 18.213 | -1.709 | -1.709 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 208 | PHE | 0 | -0.021 | -0.014 | 16.825 | -0.801 | -0.801 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 209 | ARG | 1 | 0.816 | 0.897 | 13.816 | 14.604 | 14.604 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 210 | TYR | 0 | 0.022 | 0.013 | 11.231 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 211 | THR | 0 | 0.011 | -0.011 | 13.361 | 1.217 | 1.217 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 212 | LEU | 0 | -0.035 | 0.006 | 16.163 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 213 | ILE | 0 | 0.048 | 0.016 | 17.801 | 0.888 | 0.888 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 214 | SER | 0 | -0.022 | -0.030 | 19.369 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 215 | ILE | 0 | 0.061 | 0.017 | 18.593 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 216 | LYS | 1 | 0.832 | 0.917 | 22.070 | 14.136 | 14.136 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 217 | ALA | 0 | 0.042 | 0.013 | 24.107 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 218 | VAL | 0 | -0.009 | -0.017 | 24.084 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 219 | PHE | 0 | 0.030 | 0.016 | 24.634 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 220 | ILE | 0 | -0.004 | 0.012 | 28.114 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 221 | GLY | 0 | 0.004 | 0.005 | 29.818 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 222 | VAL | 0 | -0.003 | 0.003 | 29.795 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 223 | ILE | 0 | -0.002 | 0.015 | 31.225 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 224 | MET | 0 | 0.001 | 0.008 | 34.069 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 225 | SER | 0 | -0.039 | -0.021 | 35.390 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 226 | THR | 0 | 0.004 | -0.020 | 35.209 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 227 | ILE | 0 | -0.019 | -0.012 | 37.757 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 228 | MET | 0 | -0.040 | -0.017 | 39.972 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 229 | TYR | 0 | 0.032 | 0.003 | 40.638 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 230 | ARG | 1 | 0.879 | 0.927 | 38.439 | 8.065 | 8.065 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 231 | ILE | 0 | -0.018 | 0.002 | 43.572 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 232 | PHE | 0 | -0.034 | -0.022 | 46.052 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 233 | ASN | 0 | -0.071 | -0.038 | 44.983 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 234 | HIS | 0 | 0.011 | 0.025 | 46.374 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 235 | GLU | -1 | -0.941 | -0.982 | 47.605 | -5.969 | -5.969 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 236 | VAL | 0 | -0.001 | 0.013 | 48.524 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 237 | ALA | 0 | 0.002 | 0.011 | 44.759 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 238 | LEU | 0 | -0.062 | -0.028 | 41.536 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 239 | ILE | 0 | -0.052 | -0.037 | 41.855 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 240 | ASP | -1 | -0.808 | -0.892 | 45.162 | -6.658 | -6.658 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 241 | VAL | 0 | -0.082 | -0.062 | 44.357 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 242 | GLY | 0 | 0.023 | 0.032 | 47.202 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 243 | LYS | 1 | 0.752 | 0.859 | 41.875 | 7.247 | 7.247 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 244 | LEU | 0 | -0.026 | -0.007 | 44.907 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 245 | SER | 0 | -0.032 | -0.046 | 45.751 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 246 | ASP | -1 | -0.852 | -0.932 | 42.720 | -7.349 | -7.349 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 247 | ALA | 0 | 0.000 | -0.008 | 40.324 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 248 | PRO | 0 | 0.003 | 0.009 | 41.304 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 249 | LEU | 0 | 0.058 | 0.009 | 37.761 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 250 | ASN | 0 | -0.024 | -0.015 | 40.368 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 251 | THR | 0 | 0.053 | 0.025 | 42.493 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 252 | LEU | 0 | -0.017 | -0.009 | 36.202 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 253 | TRP | 0 | -0.011 | -0.008 | 38.411 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 254 | LEU | 0 | 0.024 | 0.023 | 39.597 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 255 | TYR | 0 | 0.033 | 0.005 | 38.039 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 256 | LEU | 0 | 0.020 | 0.024 | 33.836 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 257 | ILE | 0 | -0.013 | -0.001 | 36.991 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 258 | LEU | 0 | 0.011 | 0.019 | 39.804 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 259 | GLY | 0 | 0.040 | 0.011 | 35.656 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 260 | ILE | 0 | -0.038 | -0.021 | 35.897 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 261 | ILE | 0 | -0.005 | 0.002 | 37.099 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 262 | PHE | 0 | 0.022 | 0.003 | 36.885 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 263 | GLY | 0 | 0.000 | -0.004 | 34.625 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 264 | ILE | 0 | -0.030 | -0.016 | 35.287 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 265 | PHE | 0 | -0.001 | 0.009 | 37.817 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 266 | GLY | 0 | 0.046 | 0.018 | 36.038 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 267 | PRO | 0 | -0.003 | -0.005 | 33.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 268 | ILE | 0 | -0.034 | -0.003 | 36.087 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 269 | PHE | 0 | 0.028 | 0.020 | 38.840 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 270 | ASN | 0 | -0.038 | -0.038 | 33.438 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 271 | LYS | 1 | 0.914 | 0.959 | 36.382 | 8.542 | 8.542 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 272 | TRP | 0 | 0.008 | 0.007 | 39.440 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 273 | VAL | 0 | 0.010 | 0.008 | 38.530 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 274 | LEU | 0 | -0.016 | 0.006 | 35.565 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 275 | GLY | 0 | 0.070 | 0.032 | 40.172 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 276 | MET | 0 | -0.003 | -0.008 | 43.329 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 277 | GLN | 0 | 0.010 | 0.021 | 39.144 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 278 | ASP | -1 | -0.819 | -0.886 | 42.163 | -7.535 | -7.535 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 279 | LEU | 0 | -0.063 | -0.015 | 45.036 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 280 | LEU | 0 | 0.035 | -0.006 | 47.251 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 281 | HIS | 0 | -0.015 | -0.002 | 46.221 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 282 | ARG | 1 | 0.918 | 0.944 | 47.325 | 6.646 | 6.646 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 283 | VAL | 0 | -0.020 | 0.003 | 51.432 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 284 | HIS | 0 | 0.026 | -0.002 | 48.248 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 285 | GLY | 0 | 0.005 | 0.009 | 51.130 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 286 | GLY | 0 | 0.019 | 0.009 | 48.912 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 287 | ASN | 0 | -0.037 | -0.018 | 49.719 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 288 | ILE | 0 | 0.037 | 0.012 | 51.015 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 289 | THR | 0 | 0.028 | 0.013 | 52.645 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 290 | LYS | 1 | 0.990 | 1.002 | 55.161 | 5.616 | 5.616 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 291 | TRP | 0 | -0.022 | -0.008 | 45.279 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 292 | VAL | 0 | -0.022 | -0.007 | 52.488 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 293 | LEU | 0 | 0.016 | 0.008 | 53.912 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 294 | MET | 0 | -0.019 | 0.006 | 49.719 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 295 | GLY | 0 | 0.034 | -0.001 | 52.097 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 296 | GLY | 0 | 0.008 | -0.004 | 52.826 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 297 | ALA | 0 | -0.017 | -0.007 | 56.221 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 298 | ILE | 0 | -0.023 | -0.010 | 50.538 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 299 | GLY | 0 | 0.051 | 0.011 | 53.366 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 300 | GLY | 0 | 0.022 | 0.011 | 54.170 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 301 | LEU | 0 | -0.022 | -0.007 | 55.152 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 302 | CYS | 0 | -0.035 | -0.018 | 52.311 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 303 | GLY | 0 | 0.030 | 0.023 | 54.708 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 304 | LEU | 0 | 0.002 | 0.005 | 57.395 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 305 | LEU | 0 | 0.012 | -0.001 | 55.038 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 306 | GLY | 0 | -0.042 | -0.022 | 56.128 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 307 | PHE | 0 | -0.029 | -0.010 | 56.892 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 308 | VAL | 0 | 0.011 | -0.007 | 60.581 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 309 | ALA | 0 | -0.009 | 0.006 | 57.933 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 310 | PRO | 0 | 0.041 | 0.038 | 56.363 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 311 | ALA | 0 | 0.020 | 0.016 | 53.100 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 312 | THR | 0 | -0.043 | -0.038 | 51.675 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 313 | SER | 0 | -0.015 | -0.022 | 51.707 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 314 | GLY | 0 | 0.065 | 0.039 | 50.357 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 315 | GLY | 0 | 0.017 | 0.010 | 46.146 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 316 | GLY | 0 | 0.022 | -0.013 | 45.746 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 317 | PHE | 0 | 0.015 | 0.005 | 41.811 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 318 | ASN | 0 | 0.019 | 0.004 | 46.548 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 319 | LEU | 0 | 0.023 | 0.014 | 47.676 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 320 | ILE | 0 | 0.017 | 0.017 | 43.023 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 321 | PRO | 0 | 0.033 | 0.031 | 47.106 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 322 | ILE | 0 | -0.020 | 0.004 | 49.215 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 323 | ALA | 0 | 0.003 | -0.008 | 48.416 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 324 | THR | 0 | -0.046 | -0.030 | 45.475 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 325 | ALA | 0 | -0.001 | -0.003 | 48.064 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 326 | GLY | 0 | 0.009 | 0.014 | 51.250 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 327 | ASN | 0 | -0.074 | -0.027 | 52.878 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 328 | PHE | 0 | -0.015 | -0.020 | 51.830 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 329 | SER | 0 | 0.059 | 0.031 | 55.695 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 330 | MET | 0 | 0.090 | 0.038 | 50.845 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 331 | GLY | 0 | 0.009 | 0.007 | 54.376 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 332 | MET | 0 | -0.002 | 0.007 | 55.666 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 333 | LEU | 0 | 0.020 | 0.011 | 50.149 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 334 | VAL | 0 | 0.014 | 0.006 | 51.209 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 335 | PHE | 0 | -0.001 | -0.005 | 52.257 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 336 | ILE | 0 | 0.009 | 0.000 | 49.973 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 337 | PHE | 0 | -0.004 | 0.002 | 43.871 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 338 | VAL | 0 | 0.006 | -0.003 | 48.634 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 339 | ALA | 0 | 0.010 | 0.005 | 50.541 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 340 | ARG | 1 | 0.856 | 0.913 | 46.522 | 6.525 | 6.525 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 341 | VAL | 0 | -0.025 | 0.014 | 45.047 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 342 | ILE | 0 | -0.001 | 0.004 | 46.850 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 343 | THR | 0 | 0.021 | -0.002 | 49.174 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 344 | THR | 0 | 0.006 | -0.017 | 42.927 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 345 | LEU | 0 | -0.047 | -0.013 | 43.147 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 346 | LEU | 0 | 0.013 | 0.014 | 45.582 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 347 | CYS | 0 | -0.011 | 0.017 | 46.718 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 348 | PHE | 0 | -0.002 | -0.008 | 37.771 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 349 | SER | 0 | -0.021 | -0.027 | 42.922 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 350 | SER | 0 | -0.020 | -0.002 | 43.949 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 351 | GLY | 0 | 0.001 | -0.003 | 43.210 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 352 | ALA | 0 | 0.012 | 0.022 | 44.268 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 353 | PRO | 0 | -0.028 | 0.001 | 42.968 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 354 | GLY | 0 | 0.052 | 0.013 | 42.123 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 355 | GLY | 0 | -0.016 | -0.011 | 39.143 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 356 | ILE | 0 | 0.025 | 0.013 | 37.511 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 357 | PHE | 0 | 0.022 | 0.001 | 31.982 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 358 | ALA | 0 | 0.041 | 0.021 | 37.740 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 359 | PRO | 0 | 0.029 | 0.017 | 40.863 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 360 | MET | 0 | -0.042 | -0.013 | 36.236 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 361 | LEU | 0 | 0.041 | 0.042 | 37.039 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 362 | ALA | 0 | -0.001 | 0.019 | 40.230 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 363 | LEU | 0 | -0.031 | -0.019 | 42.118 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 364 | GLY | 0 | 0.029 | 0.005 | 40.312 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 365 | THR | 0 | 0.007 | -0.005 | 41.222 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 366 | VAL | 0 | -0.021 | 0.009 | 43.674 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 367 | LEU | 0 | -0.008 | 0.002 | 42.411 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 368 | GLY | 0 | 0.044 | 0.012 | 43.171 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 369 | THR | 0 | -0.022 | -0.026 | 43.842 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 370 | ALA | 0 | -0.004 | -0.008 | 47.368 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 371 | PHE | 0 | -0.007 | -0.008 | 43.692 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 372 | GLY | 0 | 0.038 | 0.015 | 46.652 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 373 | MET | 0 | -0.062 | -0.034 | 47.503 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 374 | VAL | 0 | 0.032 | 0.017 | 49.749 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 375 | ALA | 0 | 0.001 | -0.004 | 47.148 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 376 | VAL | 0 | -0.039 | -0.027 | 49.222 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 377 | GLU | -1 | -0.970 | -0.978 | 51.801 | -5.612 | -5.612 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 378 | LEU | 0 | -0.026 | -0.007 | 50.196 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 379 | PHE | 0 | -0.061 | -0.031 | 47.957 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 380 | PRO | 0 | 0.071 | 0.042 | 51.325 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 381 | GLN | 0 | 0.018 | 0.005 | 50.988 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 382 | TYR | 0 | -0.069 | -0.046 | 46.312 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 383 | HIS | 0 | -0.033 | -0.016 | 49.082 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 384 | LEU | 0 | -0.036 | 0.000 | 46.468 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 385 | GLU | -1 | -0.723 | -0.835 | 48.177 | -6.325 | -6.325 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 386 | ALA | 0 | -0.006 | -0.001 | 47.358 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 387 | GLY | 0 | 0.083 | 0.039 | 46.636 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 388 | THR | 0 | -0.001 | -0.004 | 43.135 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 389 | PHE | 0 | 0.014 | -0.008 | 41.976 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 390 | ALA | 0 | -0.013 | 0.011 | 42.216 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 391 | ILE | 0 | 0.038 | 0.010 | 39.287 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 392 | ALA | 0 | -0.019 | -0.007 | 37.865 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 393 | GLY | 0 | 0.020 | -0.012 | 37.563 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 394 | MET | 0 | -0.082 | -0.010 | 38.953 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 395 | GLY | 0 | 0.051 | 0.013 | 35.183 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 396 | ALA | 0 | -0.007 | 0.010 | 34.288 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 397 | LEU | 0 | 0.014 | 0.012 | 34.885 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 398 | LEU | 0 | -0.007 | -0.007 | 33.062 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 399 | ALA | 0 | 0.002 | 0.005 | 30.636 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 400 | ALA | 0 | -0.011 | 0.002 | 30.794 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 401 | SER | 0 | -0.017 | -0.010 | 33.013 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 402 | ILE | 0 | -0.031 | -0.031 | 30.303 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 403 | ARG | 1 | 0.813 | 0.921 | 26.601 | 10.541 | 10.541 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 404 | ALA | 0 | 0.027 | 0.034 | 26.483 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 405 | PRO | 0 | 0.026 | 0.008 | 25.906 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 406 | LEU | 0 | -0.017 | -0.006 | 23.413 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 407 | THR | 0 | -0.022 | -0.051 | 26.757 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 408 | GLY | 0 | -0.013 | -0.002 | 28.837 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 409 | ILE | 0 | -0.023 | -0.010 | 29.897 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 410 | ILE | 0 | 0.000 | -0.003 | 27.400 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 411 | LEU | 0 | -0.016 | -0.005 | 31.607 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 412 | VAL | 0 | 0.012 | 0.001 | 34.117 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 413 | LEU | 0 | -0.008 | 0.022 | 32.863 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 414 | GLU | -1 | -0.789 | -0.917 | 33.250 | -9.202 | -9.202 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 415 | MET | 0 | -0.087 | -0.033 | 36.659 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 416 | THR | 0 | -0.049 | -0.044 | 39.354 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 417 | ASP | -1 | -0.792 | -0.877 | 39.177 | -7.658 | -7.658 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 418 | ASN | 0 | 0.026 | 0.017 | 39.412 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 419 | TYR | 0 | 0.031 | 0.018 | 31.723 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 420 | GLN | 0 | 0.014 | -0.003 | 36.680 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 421 | LEU | 0 | -0.008 | 0.006 | 38.496 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 422 | ILE | 0 | -0.031 | -0.018 | 31.284 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 423 | LEU | 0 | 0.022 | 0.006 | 32.490 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 424 | PRO | 0 | 0.019 | 0.011 | 34.070 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 425 | MET | 0 | 0.020 | 0.022 | 34.575 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 426 | ILE | 0 | 0.008 | 0.000 | 28.715 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 427 | ILE | 0 | -0.028 | -0.006 | 31.120 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 428 | THR | 0 | -0.018 | -0.020 | 33.070 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 429 | GLY | 0 | 0.035 | 0.011 | 31.806 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 430 | LEU | 0 | -0.008 | 0.003 | 25.931 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 431 | GLY | 0 | 0.036 | 0.010 | 29.537 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 432 | ALA | 0 | 0.009 | 0.005 | 32.273 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 433 | THR | 0 | -0.042 | -0.044 | 26.389 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 434 | LEU | 0 | -0.045 | -0.014 | 26.137 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 435 | LEU | 0 | 0.036 | 0.017 | 29.291 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 436 | ALA | 0 | 0.037 | 0.031 | 31.179 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 437 | GLN | 0 | -0.105 | -0.048 | 24.479 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 438 | PHE | 0 | 0.001 | -0.013 | 26.807 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 439 | THR | 0 | 0.000 | 0.005 | 31.098 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 440 | GLY | 0 | -0.013 | -0.008 | 31.546 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 441 | GLY | 0 | -0.020 | -0.002 | 32.204 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 442 | LYS | 1 | 0.918 | 0.953 | 29.240 | 9.860 | 9.860 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 443 | PRO | 0 | 0.095 | 0.038 | 26.084 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 444 | LEU | 0 | 0.014 | 0.014 | 29.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 445 | ALA | 0 | -0.023 | -0.008 | 29.490 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 446 | SER | 0 | 0.097 | 0.036 | 26.412 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 447 | ALA | 0 | -0.041 | -0.013 | 28.733 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 448 | ILE | 0 | -0.009 | -0.009 | 31.660 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 449 | LEU | 0 | -0.012 | 0.008 | 27.428 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 450 | ALA | 0 | 0.012 | 0.004 | 29.463 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 451 | ARG | 1 | 0.774 | 0.860 | 31.054 | 8.277 | 8.277 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 452 | THR | 0 | -0.030 | -0.020 | 34.032 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 453 | LEU | 0 | 0.011 | 0.005 | 28.074 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 454 | ALA | 0 | 0.062 | 0.033 | 32.505 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 455 | LYS | 1 | 0.786 | 0.867 | 33.662 | 8.165 | 8.165 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 456 | GLN | 0 | 0.000 | 0.013 | 34.610 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 457 | GLU | -1 | -0.926 | -0.950 | 31.387 | -10.063 | -10.063 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 458 | ALA | 0 | -0.017 | -0.017 | 35.840 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 459 | GLU | -1 | -0.922 | -0.929 | 38.656 | -7.701 | -7.701 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 460 | GLN | 0 | -0.072 | -0.039 | 35.765 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |