
FMODB ID: VQ641
Calculation Name: 2UZX-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2UZX
Chain ID: B
UniProt ID: P0DQD2
Base Structure: X-ray
Registration Date: 2023-09-23
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
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 | 560 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -11745961.971159 |
---|---|
FMO2-HF: Nuclear repulsion | 11517492.789817 |
FMO2-HF: Total energy | -228469.181342 |
FMO2-MP2: Total energy | -229123.848637 |
3D Structure
Ligand structure

Ligand Interaction

Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(B:42:GLN)
Summations of interaction energy for
fragment #1(B:42:GLN)
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. |
-0.688 | 2.362 | -0.017 | -1.419 | -1.613 | 0.003 |
Interaction energy analysis for fragmet #1(B:42:GLN)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | B | 44 | PRO | 0 | 0.047 | 0.028 | 3.872 | -0.345 | 2.038 | -0.020 | -1.350 | -1.013 | 0.003 |
4 | B | 45 | ASN | 0 | -0.067 | -0.041 | 4.553 | 0.005 | 0.203 | -0.001 | -0.009 | -0.187 | 0.000 |
5 | B | 46 | PHE | 0 | 0.077 | 0.051 | 7.764 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 47 | THR | 0 | -0.031 | -0.029 | 10.352 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 48 | ALA | 0 | 0.026 | 0.033 | 12.796 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 49 | GLU | -1 | -0.850 | -0.903 | 16.635 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 50 | THR | 0 | -0.085 | -0.069 | 19.508 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 51 | PRO | 0 | 0.003 | -0.017 | 18.144 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 52 | ILE | 0 | 0.012 | 0.015 | 15.797 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 53 | GLN | 0 | -0.032 | -0.022 | 18.944 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 54 | ASN | 0 | -0.038 | -0.012 | 21.545 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 55 | VAL | 0 | -0.006 | -0.011 | 16.941 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 56 | ILE | 0 | -0.005 | 0.009 | 20.204 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 57 | LEU | 0 | -0.029 | -0.016 | 19.322 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 58 | HIS | 0 | 0.023 | 0.011 | 21.837 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 59 | GLU | -1 | -0.900 | -0.949 | 23.884 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 60 | HIS | 0 | -0.064 | -0.037 | 20.729 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 61 | HIS | 0 | 0.027 | 0.027 | 19.850 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 62 | ILE | 0 | -0.027 | -0.016 | 15.812 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 63 | PHE | 0 | 0.039 | 0.018 | 19.152 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 64 | LEU | 0 | -0.025 | -0.023 | 15.940 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 65 | GLY | 0 | 0.043 | 0.020 | 20.172 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 66 | ALA | 0 | -0.013 | -0.016 | 20.286 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 67 | THR | 0 | 0.008 | -0.003 | 22.154 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 68 | ASN | 0 | -0.068 | -0.032 | 24.216 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 69 | TYR | 0 | -0.022 | -0.036 | 22.864 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 70 | ILE | 0 | 0.001 | 0.022 | 23.579 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 71 | TYR | 0 | -0.020 | -0.020 | 19.118 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 72 | VAL | 0 | 0.049 | 0.032 | 20.590 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 73 | LEU | 0 | -0.032 | -0.013 | 13.854 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 74 | ASN | 0 | 0.041 | 0.010 | 15.236 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 75 | GLU | -1 | -0.790 | -0.861 | 15.076 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 76 | GLU | -1 | -0.989 | -0.982 | 14.100 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 77 | ASP | -1 | -0.827 | -0.921 | 10.597 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 78 | LEU | 0 | -0.053 | -0.015 | 9.901 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 79 | GLN | 0 | -0.009 | 0.001 | 12.357 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 80 | LYS | 1 | 0.788 | 0.875 | 13.711 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 81 | VAL | 0 | -0.027 | -0.008 | 16.576 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 82 | ALA | 0 | 0.038 | 0.021 | 19.939 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 83 | GLU | -1 | -0.845 | -0.925 | 21.409 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 84 | TYR | 0 | 0.047 | 0.036 | 23.640 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 85 | LYS | 1 | 0.895 | 0.943 | 26.043 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 86 | THR | 0 | 0.019 | 0.004 | 27.644 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 87 | GLY | 0 | 0.013 | 0.013 | 28.713 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 88 | PRO | 0 | -0.001 | 0.002 | 29.392 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 89 | VAL | 0 | -0.014 | 0.007 | 31.710 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 90 | LEU | 0 | -0.004 | -0.007 | 35.097 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 91 | GLU | -1 | -0.808 | -0.883 | 38.381 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 111 | VAL | 0 | -0.019 | -0.028 | 38.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 112 | TRP | 0 | -0.036 | -0.029 | 34.704 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 113 | LYS | 1 | 0.793 | 0.896 | 33.795 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 114 | ASP | -1 | -0.834 | -0.907 | 28.299 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 115 | ASN | 0 | -0.008 | -0.014 | 29.550 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 116 | ILE | 0 | -0.011 | 0.002 | 25.679 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 117 | ASN | 0 | 0.034 | 0.029 | 24.724 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 118 | MET | 0 | -0.023 | -0.009 | 26.269 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 119 | ALA | 0 | 0.011 | 0.002 | 27.577 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 120 | LEU | 0 | -0.025 | -0.005 | 23.916 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 121 | VAL | 0 | -0.008 | -0.003 | 27.527 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 122 | VAL | 0 | 0.007 | 0.013 | 27.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 123 | ASP | -1 | -0.894 | -0.952 | 29.871 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 124 | THR | 0 | 0.033 | 0.005 | 32.222 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 125 | TYR | 0 | -0.112 | -0.031 | 35.103 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 126 | TYR | 0 | -0.049 | -0.040 | 38.536 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 127 | ASP | -1 | -0.747 | -0.884 | 37.929 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 128 | ASP | -1 | -0.917 | -0.942 | 32.394 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 129 | GLN | 0 | -0.038 | -0.011 | 32.302 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 130 | LEU | 0 | 0.002 | 0.008 | 26.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 131 | ILE | 0 | 0.004 | 0.002 | 30.308 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 132 | SER | 0 | -0.009 | -0.012 | 28.965 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 133 | CYS | 0 | -0.075 | -0.040 | 30.118 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 134 | GLY | 0 | 0.047 | 0.029 | 30.023 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 135 | SER | 0 | -0.009 | -0.044 | 30.007 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 136 | VAL | 0 | -0.037 | -0.011 | 32.657 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 137 | ASN | 0 | 0.004 | 0.007 | 34.978 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 138 | ARG | 1 | 0.789 | 0.861 | 38.071 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 139 | GLY | 0 | 0.044 | 0.033 | 35.179 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 140 | THR | 0 | 0.002 | 0.005 | 36.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 142 | GLN | 0 | 0.056 | 0.016 | 31.644 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 143 | ARG | 1 | 0.807 | 0.901 | 33.634 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 144 | HIS | 0 | 0.007 | 0.004 | 30.507 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 145 | VAL | 0 | 0.040 | 0.019 | 31.839 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 146 | PHE | 0 | 0.003 | -0.010 | 28.397 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 147 | PRO | 0 | -0.013 | 0.007 | 30.965 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 148 | HIS | 0 | -0.008 | -0.006 | 33.015 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 149 | ASN | 0 | -0.012 | -0.015 | 30.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 150 | HIS | 0 | 0.008 | -0.018 | 27.510 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 151 | THR | 0 | -0.006 | -0.021 | 22.766 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 152 | ALA | 0 | -0.049 | -0.018 | 24.182 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 153 | ASP | -1 | -0.895 | -0.937 | 25.510 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 154 | ILE | 0 | -0.033 | -0.011 | 25.304 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 155 | GLN | 0 | -0.032 | -0.041 | 25.768 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 156 | SER | 0 | 0.014 | 0.017 | 29.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 157 | GLU | -1 | -0.887 | -0.924 | 32.130 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 158 | VAL | 0 | -0.033 | -0.014 | 32.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 159 | HIS | 0 | -0.029 | -0.014 | 35.366 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 160 | CYS | 0 | -0.039 | -0.038 | 36.896 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 161 | ILE | 0 | -0.020 | 0.014 | 37.770 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 162 | PHE | 0 | -0.026 | -0.036 | 40.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 163 | SER | 0 | 0.007 | 0.034 | 43.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 164 | PRO | 0 | -0.041 | -0.015 | 47.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 165 | GLN | 0 | -0.071 | -0.055 | 48.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 166 | ILE | 0 | -0.020 | -0.008 | 52.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 167 | GLU | -1 | -0.927 | -0.969 | 49.127 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 168 | GLU | -1 | -0.850 | -0.938 | 51.587 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 169 | PRO | 0 | -0.028 | -0.009 | 50.783 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 170 | SER | 0 | -0.022 | -0.009 | 51.212 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 171 | GLN | 0 | 0.009 | -0.011 | 48.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 172 | CYS | 0 | 0.014 | 0.021 | 40.221 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 173 | PRO | 0 | -0.028 | 0.008 | 43.809 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 174 | ASP | -1 | -0.777 | -0.900 | 41.542 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 176 | VAL | 0 | -0.032 | -0.011 | 36.124 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 177 | VAL | 0 | -0.016 | -0.013 | 31.958 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 178 | SER | 0 | 0.021 | -0.004 | 35.075 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 179 | ALA | 0 | 0.020 | -0.007 | 32.025 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 180 | LEU | 0 | -0.051 | -0.005 | 31.349 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 181 | GLY | 0 | -0.030 | -0.019 | 29.878 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 182 | ALA | 0 | -0.002 | 0.007 | 29.957 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 183 | LYS | 1 | 0.819 | 0.910 | 24.611 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 184 | VAL | 0 | 0.038 | 0.013 | 30.278 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 185 | LEU | 0 | -0.036 | -0.003 | 30.630 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 186 | SER | 0 | 0.028 | 0.011 | 32.876 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 187 | SER | 0 | -0.015 | -0.034 | 34.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 188 | VAL | 0 | 0.016 | 0.019 | 36.959 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 189 | LYS | 1 | 0.768 | 0.882 | 38.584 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 190 | ASP | -1 | -0.850 | -0.923 | 43.001 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 191 | ARG | 1 | 0.907 | 0.937 | 45.026 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 192 | PHE | 0 | -0.016 | 0.005 | 43.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 193 | ILE | 0 | 0.060 | 0.039 | 37.246 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 194 | ASN | 0 | -0.047 | -0.013 | 40.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 195 | PHE | 0 | 0.076 | 0.026 | 33.923 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 196 | PHE | 0 | -0.049 | -0.035 | 36.298 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 197 | VAL | 0 | -0.016 | -0.009 | 34.838 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 198 | GLY | 0 | 0.027 | 0.027 | 34.749 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 199 | ASN | 0 | -0.037 | -0.032 | 34.200 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 200 | THR | 0 | -0.004 | -0.017 | 33.008 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 201 | ILE | 0 | -0.040 | -0.016 | 35.631 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 202 | ASN | 0 | -0.031 | -0.027 | 38.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 203 | SER | 0 | -0.024 | -0.032 | 41.153 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 204 | SER | 0 | -0.053 | -0.030 | 42.435 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 205 | TYR | 0 | 0.014 | -0.030 | 45.069 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 206 | PHE | 0 | 0.025 | 0.023 | 38.900 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 207 | PRO | 0 | -0.074 | -0.037 | 45.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 208 | ASP | -1 | -0.804 | -0.873 | 46.296 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 209 | HIS | 0 | 0.000 | 0.002 | 43.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 210 | PRO | 0 | -0.025 | -0.015 | 45.192 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 211 | LEU | 0 | 0.022 | 0.046 | 38.154 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 212 | HIS | 0 | -0.021 | -0.015 | 41.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 213 | SER | 0 | -0.026 | -0.007 | 39.216 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 214 | ILE | 0 | 0.012 | 0.003 | 38.416 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 215 | SER | 0 | 0.002 | 0.010 | 39.735 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 216 | VAL | 0 | -0.027 | -0.009 | 39.876 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 217 | ARG | 1 | 0.871 | 0.937 | 39.448 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 218 | ARG | 1 | 0.844 | 0.932 | 41.064 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 219 | LEU | 0 | -0.002 | 0.010 | 38.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 220 | LYS | 1 | 0.843 | 0.909 | 42.196 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 221 | GLU | -1 | -0.829 | -0.923 | 43.697 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 222 | THR | 0 | -0.069 | -0.059 | 44.695 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 223 | LYS | 1 | 0.761 | 0.876 | 40.136 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 224 | ASP | -1 | -0.790 | -0.869 | 41.500 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 225 | GLY | 0 | 0.068 | 0.017 | 42.275 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 226 | PHE | 0 | -0.068 | -0.027 | 37.361 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 227 | MET | 0 | 0.018 | 0.008 | 43.598 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 228 | PHE | 0 | 0.042 | 0.028 | 43.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 229 | LEU | 0 | -0.037 | -0.026 | 47.414 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 230 | THR | 0 | -0.010 | -0.012 | 49.879 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 231 | ASP | -1 | -0.817 | -0.875 | 50.051 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 232 | GLN | 0 | 0.015 | 0.027 | 49.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 233 | SER | 0 | -0.040 | -0.020 | 46.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 234 | TYR | 0 | 0.016 | -0.038 | 44.355 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 235 | ILE | 0 | -0.055 | -0.026 | 43.405 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 236 | ASP | -1 | -0.787 | -0.878 | 43.189 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 237 | VAL | 0 | -0.017 | 0.000 | 41.648 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 238 | LEU | 0 | 0.019 | 0.018 | 44.862 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 239 | PRO | 0 | -0.009 | -0.014 | 47.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 240 | GLU | -1 | -0.885 | -0.941 | 48.370 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 241 | PHE | 0 | -0.036 | -0.045 | 45.581 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 242 | ARG | 1 | 0.860 | 0.941 | 43.430 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 243 | ASP | -1 | -0.754 | -0.860 | 41.642 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 244 | SER | 0 | -0.051 | -0.016 | 41.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 245 | TYR | 0 | -0.001 | -0.024 | 40.103 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 246 | PRO | 0 | 0.003 | 0.022 | 36.662 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 247 | ILE | 0 | -0.030 | -0.022 | 35.963 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 248 | LYS | 1 | 0.925 | 0.969 | 29.953 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 249 | TYR | 0 | 0.048 | 0.004 | 32.132 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 250 | VAL | 0 | -0.029 | 0.004 | 26.452 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 251 | HIS | 0 | 0.007 | -0.011 | 25.650 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 252 | ALA | 0 | 0.037 | 0.020 | 28.748 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 253 | PHE | 0 | -0.016 | -0.009 | 29.764 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 254 | GLU | -1 | -0.745 | -0.847 | 31.832 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 255 | SER | 0 | -0.030 | -0.043 | 33.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 256 | ASN | 0 | -0.100 | -0.070 | 35.709 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 257 | ASN | 0 | -0.015 | 0.000 | 38.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 258 | PHE | 0 | -0.004 | 0.008 | 39.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 259 | ILE | 0 | 0.017 | 0.008 | 36.473 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 260 | TYR | 0 | -0.037 | -0.038 | 34.442 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 261 | PHE | 0 | 0.020 | 0.009 | 33.479 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 262 | LEU | 0 | -0.034 | -0.016 | 29.619 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 263 | THR | 0 | -0.005 | -0.021 | 31.805 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 264 | VAL | 0 | 0.024 | 0.022 | 30.149 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 265 | GLN | 0 | 0.004 | 0.002 | 33.262 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 266 | ARG | 1 | 0.988 | 1.016 | 36.823 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 267 | GLU | -1 | -0.839 | -0.885 | 39.676 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 268 | THR | 0 | -0.058 | -0.053 | 41.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 269 | LEU | 0 | -0.022 | -0.017 | 44.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 270 | ASP | -1 | -0.896 | -0.945 | 46.374 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 271 | ALA | 0 | -0.041 | 0.009 | 42.881 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 272 | GLN | 0 | -0.018 | -0.018 | 41.794 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 273 | THR | 0 | -0.025 | -0.033 | 38.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 274 | PHE | 0 | 0.012 | -0.008 | 35.354 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 275 | HIS | 0 | -0.014 | -0.006 | 36.144 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 276 | THR | 0 | 0.022 | 0.005 | 31.695 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 277 | ARG | 1 | 0.678 | 0.806 | 34.017 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 278 | ILE | 0 | -0.023 | 0.001 | 34.073 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 279 | ILE | 0 | 0.003 | 0.009 | 36.225 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 280 | ARG | 1 | 0.857 | 0.921 | 37.744 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 281 | PHE | 0 | 0.046 | 0.027 | 39.182 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 282 | CYS | 0 | 0.010 | 0.015 | 41.636 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 283 | SER | 0 | -0.001 | -0.012 | 43.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 284 | ILE | 0 | 0.060 | 0.032 | 45.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 285 | ASN | 0 | -0.005 | 0.002 | 47.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 286 | SER | 0 | -0.012 | -0.028 | 44.966 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 287 | GLY | 0 | 0.004 | 0.014 | 46.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 288 | LEU | 0 | -0.001 | -0.005 | 42.681 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 289 | HIS | 0 | -0.033 | 0.000 | 45.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 290 | SER | 0 | 0.022 | -0.004 | 47.026 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 291 | TYR | 0 | -0.095 | -0.070 | 41.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 292 | MET | 0 | -0.012 | -0.003 | 43.524 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 293 | GLU | -1 | -0.736 | -0.825 | 40.219 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 294 | MET | 0 | -0.040 | -0.018 | 39.236 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 295 | PRO | 0 | 0.035 | 0.025 | 38.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 296 | LEU | 0 | -0.044 | -0.018 | 33.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 297 | GLU | -1 | -0.827 | -0.918 | 34.005 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 298 | CYS | 0 | -0.021 | 0.000 | 25.886 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 299 | ILE | 0 | 0.006 | 0.010 | 32.124 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 300 | LEU | 0 | 0.044 | 0.026 | 29.792 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 301 | THR | 0 | -0.036 | -0.023 | 33.231 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 311 | LYS | 1 | 0.924 | 0.956 | 37.592 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 312 | GLU | -1 | -0.801 | -0.859 | 32.144 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 313 | VAL | 0 | 0.003 | -0.012 | 34.240 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 314 | PHE | 0 | -0.001 | -0.007 | 27.948 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 315 | ASN | 0 | 0.035 | 0.008 | 31.135 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 316 | ILE | 0 | 0.013 | 0.036 | 27.810 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 317 | LEU | 0 | -0.016 | -0.006 | 27.186 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 318 | GLN | 0 | -0.010 | -0.005 | 22.120 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 319 | ALA | 0 | 0.007 | -0.002 | 21.422 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 320 | ALA | 0 | -0.021 | -0.010 | 23.392 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 321 | TYR | 0 | 0.051 | 0.031 | 21.077 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 322 | VAL | 0 | -0.003 | -0.004 | 24.617 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 323 | SER | 0 | -0.013 | 0.003 | 23.897 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 324 | LYS | 1 | 0.860 | 0.910 | 26.834 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 325 | PRO | 0 | -0.024 | 0.006 | 26.653 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 326 | GLY | 0 | 0.066 | 0.024 | 26.409 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 327 | ALA | 0 | 0.016 | -0.005 | 27.259 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 328 | GLN | 0 | -0.010 | -0.018 | 26.248 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 329 | LEU | 0 | -0.006 | 0.000 | 27.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 330 | ALA | 0 | 0.015 | 0.011 | 30.042 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 331 | ARG | 1 | 0.830 | 0.873 | 31.565 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 332 | GLN | 0 | -0.031 | -0.009 | 30.438 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 333 | ILE | 0 | -0.050 | -0.025 | 31.869 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 334 | GLY | 0 | -0.016 | 0.019 | 35.463 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 335 | ALA | 0 | -0.023 | -0.004 | 34.008 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 336 | SER | 0 | 0.003 | -0.017 | 35.318 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 337 | LEU | 0 | 0.023 | -0.006 | 31.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 338 | ASN | 0 | 0.025 | 0.026 | 31.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 339 | ASP | -1 | -0.803 | -0.877 | 33.365 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 340 | ASP | -1 | -0.776 | -0.849 | 31.145 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 341 | ILE | 0 | -0.070 | -0.040 | 29.155 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 342 | LEU | 0 | 0.046 | 0.036 | 28.172 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 343 | PHE | 0 | -0.020 | -0.020 | 24.854 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 344 | ALA | 0 | 0.050 | 0.019 | 25.660 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 345 | VAL | 0 | 0.009 | -0.003 | 21.292 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 346 | PHE | 0 | 0.003 | -0.009 | 24.604 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 347 | ALA | 0 | 0.041 | 0.011 | 25.031 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 348 | GLN | 0 | -0.048 | -0.016 | 26.936 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 349 | SER | 0 | -0.005 | 0.003 | 29.339 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 350 | LYS | 1 | 0.841 | 0.901 | 28.497 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 351 | PRO | 0 | -0.013 | -0.025 | 32.810 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 352 | ASP | -1 | -0.896 | -0.926 | 36.508 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 353 | SER | 0 | -0.003 | -0.014 | 33.461 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 354 | ALA | 0 | 0.006 | 0.004 | 32.785 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 355 | GLU | -1 | -0.843 | -0.883 | 29.361 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 356 | PRO | 0 | -0.009 | 0.003 | 25.259 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 357 | MET | 0 | -0.011 | -0.008 | 27.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 358 | ASP | -1 | -0.889 | -0.956 | 21.965 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 359 | ARG | 1 | 0.743 | 0.815 | 23.926 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 360 | SER | 0 | -0.030 | -0.036 | 22.687 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 361 | ALA | 0 | -0.030 | 0.003 | 24.883 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 362 | MET | 0 | -0.038 | -0.018 | 23.244 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 364 | ALA | 0 | 0.020 | 0.010 | 28.431 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 365 | PHE | 0 | 0.003 | -0.003 | 30.230 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 366 | PRO | 0 | -0.003 | -0.008 | 32.969 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 367 | ILE | 0 | 0.049 | 0.030 | 32.472 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 368 | LYS | 1 | 0.861 | 0.913 | 36.111 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 369 | TYR | 0 | 0.001 | 0.002 | 37.786 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 370 | VAL | 0 | 0.050 | 0.015 | 35.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 371 | ASN | 0 | 0.044 | 0.022 | 39.024 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 372 | ASP | -1 | -0.860 | -0.910 | 41.672 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 373 | PHE | 0 | -0.025 | -0.022 | 41.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 374 | PHE | 0 | 0.020 | 0.011 | 38.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 375 | ASN | 0 | -0.011 | 0.011 | 44.378 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 376 | LYS | 1 | 0.794 | 0.901 | 45.433 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 377 | ILE | 0 | 0.030 | -0.010 | 49.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 378 | VAL | 0 | 0.031 | 0.022 | 51.888 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 379 | ASN | 0 | 0.011 | 0.012 | 53.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 380 | LYS | 1 | 0.961 | 0.996 | 48.194 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 381 | ASN | 0 | -0.048 | -0.033 | 46.486 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 382 | ASN | 0 | -0.038 | -0.027 | 48.893 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 383 | VAL | 0 | 0.025 | 0.009 | 48.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 384 | ARG | 1 | 0.855 | 0.914 | 46.517 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 385 | CYS | 0 | 0.024 | 0.013 | 49.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 386 | LEU | 0 | 0.011 | 0.014 | 43.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 387 | GLN | 0 | 0.028 | -0.003 | 47.795 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 388 | HIS | 0 | -0.047 | -0.031 | 42.315 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 389 | PHE | 0 | 0.011 | 0.014 | 46.237 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 390 | TYR | 0 | 0.021 | -0.002 | 48.038 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 391 | GLY | 0 | 0.064 | 0.046 | 50.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 392 | PRO | 0 | -0.036 | -0.031 | 51.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 393 | ASN | 0 | -0.017 | 0.008 | 53.623 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 414 | ASP | -1 | -0.879 | -0.941 | 55.716 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 415 | GLU | -1 | -0.893 | -0.971 | 50.840 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 416 | TYR | 0 | -0.058 | -0.018 | 52.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 417 | ARG | 1 | 0.803 | 0.911 | 47.046 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 418 | THR | 0 | 0.003 | -0.011 | 47.291 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 419 | GLU | -1 | -0.766 | -0.855 | 44.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 420 | PHE | 0 | -0.019 | -0.013 | 43.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 421 | THR | 0 | -0.015 | -0.004 | 44.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 422 | THR | 0 | -0.060 | -0.047 | 44.174 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 423 | ALA | 0 | 0.042 | 0.043 | 38.796 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 424 | LEU | 0 | -0.035 | -0.008 | 37.496 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 425 | GLN | 0 | -0.041 | -0.027 | 36.466 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 426 | ARG | 1 | 0.828 | 0.907 | 33.192 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 427 | VAL | 0 | 0.003 | 0.003 | 33.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 428 | ASP | -1 | -0.737 | -0.871 | 27.057 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 429 | LEU | 0 | -0.071 | -0.041 | 27.124 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 430 | PHE | 0 | -0.017 | -0.015 | 21.393 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 431 | MET | 0 | -0.078 | -0.038 | 25.829 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 432 | GLY | 0 | 0.090 | 0.038 | 27.570 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 433 | GLN | 0 | -0.116 | -0.060 | 21.454 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 434 | PHE | 0 | -0.015 | -0.031 | 18.201 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 435 | SER | 0 | 0.027 | 0.000 | 22.646 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 436 | GLU | -1 | -0.874 | -0.893 | 23.679 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 437 | VAL | 0 | 0.020 | 0.009 | 17.459 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 438 | LEU | 0 | 0.028 | 0.052 | 20.198 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 439 | LEU | 0 | -0.065 | -0.033 | 18.060 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 440 | THR | 0 | -0.035 | -0.059 | 16.777 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 441 | SER | 0 | -0.041 | -0.021 | 15.756 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 442 | ILE | 0 | -0.030 | -0.019 | 17.879 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 443 | SER | 0 | 0.009 | 0.022 | 17.165 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 444 | THR | 0 | -0.031 | -0.017 | 19.490 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 445 | PHE | 0 | 0.044 | 0.020 | 15.856 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 446 | ILE | 0 | 0.010 | 0.006 | 20.851 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 447 | LYS | 1 | 0.786 | 0.898 | 15.782 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 448 | GLY | 0 | 0.005 | 0.004 | 21.650 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 449 | ASP | -1 | -0.783 | -0.874 | 24.875 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 450 | LEU | 0 | -0.049 | -0.011 | 22.265 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 451 | THR | 0 | 0.060 | 0.027 | 23.609 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 452 | ILE | 0 | -0.070 | -0.030 | 17.267 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 453 | ALA | 0 | 0.068 | 0.035 | 19.450 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 454 | ASN | 0 | -0.025 | -0.017 | 13.869 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 455 | LEU | 0 | -0.004 | -0.006 | 14.986 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 456 | GLY | 0 | 0.031 | 0.002 | 13.518 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 457 | THR | 0 | -0.003 | 0.010 | 13.686 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 458 | SER | 0 | 0.051 | 0.017 | 14.749 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 459 | GLU | -1 | -0.934 | -0.961 | 14.269 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 460 | GLY | 0 | 0.048 | 0.035 | 10.558 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 461 | ARG | 1 | 0.856 | 0.913 | 9.164 | 0.671 | 0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 462 | PHE | 0 | 0.060 | 0.032 | 8.497 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 463 | MET | 0 | -0.044 | -0.024 | 10.124 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 464 | GLN | 0 | -0.021 | 0.000 | 11.301 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 465 | VAL | 0 | 0.026 | 0.006 | 15.099 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 466 | VAL | 0 | -0.022 | -0.007 | 18.724 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 467 | VAL | 0 | 0.031 | 0.019 | 21.587 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 468 | SER | 0 | -0.023 | -0.026 | 24.486 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 469 | ARG | 1 | 0.960 | 0.974 | 27.848 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 470 | SER | 0 | -0.069 | -0.038 | 31.080 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 471 | GLY | 0 | 0.007 | 0.007 | 29.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 472 | PRO | 0 | 0.046 | 0.036 | 24.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 473 | SER | 0 | -0.070 | -0.042 | 22.795 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 474 | THR | 0 | 0.006 | 0.001 | 17.900 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 475 | PRO | 0 | 0.023 | 0.019 | 15.462 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 476 | HIS | 0 | -0.006 | 0.001 | 13.703 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 477 | VAL | 0 | -0.018 | -0.005 | 9.456 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 478 | ASN | 0 | 0.041 | 0.015 | 10.704 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 479 | PHE | 0 | -0.029 | -0.009 | 3.463 | -0.362 | -0.031 | 0.005 | -0.054 | -0.282 | 0.000 |
388 | B | 480 | LEU | 0 | 0.010 | 0.012 | 6.300 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 481 | LEU | 0 | -0.004 | 0.015 | 4.587 | -1.436 | -1.298 | -0.001 | -0.006 | -0.131 | 0.000 |
390 | B | 482 | ASP | -1 | -0.803 | -0.885 | 6.030 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 483 | SER | 0 | 0.035 | 0.002 | 8.219 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 484 | HIS | 0 | -0.066 | -0.021 | 11.468 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 485 | PRO | 0 | 0.009 | 0.000 | 12.774 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 486 | VAL | 0 | -0.028 | 0.008 | 11.540 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 487 | SER | 0 | 0.016 | 0.027 | 14.151 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 488 | PRO | 0 | 0.036 | 0.013 | 16.938 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 489 | GLU | -1 | -0.851 | -0.894 | 19.240 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 490 | VAL | 0 | -0.026 | -0.017 | 15.550 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 491 | ILE | 0 | 0.025 | 0.015 | 16.522 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 492 | VAL | 0 | -0.045 | -0.035 | 16.415 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 493 | GLU | -1 | -0.731 | -0.839 | 16.890 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 494 | HIS | 0 | -0.051 | -0.054 | 17.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 495 | THR | 0 | -0.011 | 0.017 | 19.314 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 496 | LEU | 0 | -0.009 | -0.014 | 21.493 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 497 | ASN | 0 | -0.057 | -0.040 | 23.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 498 | GLN | 0 | 0.052 | 0.043 | 17.671 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 499 | ASN | 0 | -0.020 | -0.034 | 15.430 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 500 | GLY | 0 | 0.088 | 0.058 | 15.648 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 501 | TYR | 0 | -0.143 | -0.112 | 11.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 502 | THR | 0 | 0.020 | 0.005 | 11.898 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 503 | LEU | 0 | -0.016 | 0.003 | 11.755 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 504 | VAL | 0 | -0.004 | -0.011 | 10.396 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 505 | ILE | 0 | 0.044 | 0.021 | 11.306 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 506 | THR | 0 | -0.027 | -0.041 | 9.480 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 507 | GLY | 0 | 0.041 | 0.029 | 12.388 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 508 | LYS | 1 | 0.908 | 0.962 | 14.346 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 509 | LYS | 1 | 0.844 | 0.931 | 5.987 | -1.559 | -1.559 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 510 | ILE | 0 | 0.034 | 0.022 | 11.280 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 511 | THR | 0 | 0.001 | -0.017 | 5.698 | 0.536 | 0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 512 | LYS | 1 | 0.842 | 0.917 | 8.141 | -0.670 | -0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 513 | ILE | 0 | -0.022 | -0.016 | 7.073 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 514 | PRO | 0 | 0.032 | 0.017 | 7.102 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 515 | LEU | 0 | 0.025 | 0.034 | 10.055 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 516 | ASN | 0 | -0.040 | -0.034 | 12.501 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 517 | GLY | 0 | 0.001 | 0.005 | 10.286 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 518 | LEU | 0 | 0.014 | -0.003 | 5.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 519 | GLY | 0 | 0.009 | 0.002 | 8.193 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 520 | CYS | 0 | 0.006 | 0.002 | 10.636 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 521 | ARG | 1 | 0.838 | 0.888 | 10.270 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 522 | HIS | 1 | 0.842 | 0.937 | 9.734 | 0.811 | 0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 523 | PHE | 0 | -0.016 | -0.007 | 11.993 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 524 | GLN | 0 | 0.046 | 0.021 | 15.714 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 525 | SER | 0 | -0.027 | -0.024 | 18.251 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 526 | CYS | 0 | 0.090 | 0.051 | 20.886 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 527 | SER | 0 | -0.010 | -0.055 | 22.958 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 528 | GLN | 0 | -0.050 | -0.015 | 18.091 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 529 | CYS | 0 | -0.064 | 0.021 | 16.286 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 530 | LEU | 0 | -0.012 | -0.007 | 19.478 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 531 | SER | 0 | -0.053 | -0.040 | 21.218 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 532 | ALA | 0 | -0.006 | 0.018 | 17.363 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 533 | PRO | 0 | 0.015 | 0.008 | 17.424 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 534 | PRO | 0 | 0.021 | -0.003 | 18.984 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 535 | PHE | 0 | 0.004 | 0.008 | 15.493 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 536 | VAL | 0 | -0.010 | 0.002 | 13.439 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 537 | GLN | 0 | -0.008 | -0.003 | 15.605 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 539 | GLY | 0 | 0.076 | 0.025 | 18.083 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 540 | TRP | 0 | -0.013 | -0.019 | 19.266 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 541 | CYS | 0 | -0.101 | -0.035 | 18.705 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 542 | HIS | 0 | 0.049 | 0.034 | 22.965 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 543 | ASP | -1 | -0.816 | -0.885 | 22.570 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 544 | LYS | 1 | 0.836 | 0.902 | 17.751 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 546 | VAL | 0 | -0.025 | -0.027 | 15.428 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 547 | ARG | 1 | 0.860 | 0.900 | 14.340 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 548 | SER | 0 | 0.014 | -0.004 | 16.852 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 549 | GLU | -1 | -0.798 | -0.896 | 18.110 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 550 | GLU | -1 | -0.835 | -0.890 | 14.217 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 552 | LEU | 0 | 0.028 | 0.006 | 20.286 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 553 | SER | 0 | 0.009 | 0.001 | 23.248 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 554 | GLY | 0 | 0.030 | 0.019 | 26.185 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 555 | THR | 0 | -0.045 | -0.043 | 26.725 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 556 | TRP | 0 | 0.010 | 0.033 | 19.944 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 557 | THR | 0 | -0.053 | -0.020 | 24.344 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 558 | GLN | 0 | 0.030 | -0.008 | 21.656 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 559 | GLN | 0 | -0.074 | -0.047 | 25.329 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 560 | ILE | 0 | -0.030 | -0.009 | 28.442 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 562 | LEU | 0 | 0.029 | 0.013 | 28.822 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 563 | PRO | 0 | -0.015 | 0.019 | 30.062 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 564 | ALA | 0 | 0.038 | 0.023 | 29.797 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 565 | ILE | 0 | -0.017 | -0.010 | 31.734 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 566 | TYR | 0 | -0.027 | -0.007 | 30.094 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 567 | LYS | 1 | 0.809 | 0.897 | 32.768 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 568 | VAL | 0 | 0.029 | 0.025 | 35.492 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 569 | PHE | 0 | -0.006 | 0.014 | 34.603 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 570 | PRO | 0 | 0.073 | 0.021 | 40.085 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 571 | ASN | 0 | 0.051 | 0.016 | 41.875 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 572 | SER | 0 | -0.011 | 0.004 | 43.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 573 | ALA | 0 | -0.004 | -0.008 | 47.289 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 574 | PRO | 0 | 0.044 | 0.016 | 49.715 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 575 | LEU | 0 | 0.011 | 0.030 | 53.049 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 576 | GLU | -1 | -0.775 | -0.892 | 54.972 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 577 | GLY | 0 | -0.003 | 0.000 | 52.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 578 | GLY | 0 | 0.037 | 0.047 | 50.313 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 579 | THR | 0 | -0.054 | -0.055 | 46.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 580 | ARG | 1 | 0.941 | 0.962 | 42.285 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 581 | LEU | 0 | 0.025 | 0.025 | 41.433 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 582 | THR | 0 | -0.032 | -0.019 | 35.762 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 583 | ILE | 0 | -0.026 | -0.015 | 35.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 584 | CYS | 0 | -0.005 | -0.001 | 31.322 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 585 | GLY | 0 | 0.043 | 0.003 | 30.254 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 586 | TRP | 0 | 0.008 | 0.007 | 24.943 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 587 | ASP | -1 | -0.719 | -0.820 | 25.579 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 588 | PHE | 0 | 0.008 | 0.016 | 28.418 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 589 | GLY | 0 | 0.037 | 0.008 | 30.576 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 590 | PHE | 0 | 0.006 | 0.003 | 31.055 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 591 | ARG | 1 | 0.892 | 0.958 | 24.559 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 592 | ARG | 1 | 0.863 | 0.918 | 30.189 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 593 | ASN | 0 | 0.031 | 0.004 | 30.930 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 594 | ASN | 0 | -0.002 | 0.003 | 26.080 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 595 | LYS | 1 | 0.955 | 0.991 | 26.270 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 596 | PHE | 0 | 0.064 | 0.020 | 24.936 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 597 | ASP | -1 | -0.818 | -0.901 | 29.104 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 598 | LEU | 0 | 0.058 | 0.027 | 32.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 599 | LYS | 1 | 0.837 | 0.922 | 34.901 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 600 | LYS | 1 | 0.844 | 0.932 | 36.847 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 601 | THR | 0 | -0.014 | -0.001 | 34.804 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 602 | ARG | 1 | 0.849 | 0.921 | 37.722 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 603 | VAL | 0 | 0.036 | 0.014 | 39.359 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 604 | LEU | 0 | -0.010 | 0.009 | 41.884 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 605 | LEU | 0 | 0.012 | 0.000 | 44.467 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 606 | GLY | 0 | 0.032 | 0.018 | 47.026 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 607 | ASN | 0 | -0.062 | -0.045 | 49.304 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 608 | GLU | -1 | -0.830 | -0.901 | 50.246 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 609 | SER | 0 | -0.065 | -0.027 | 46.994 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 610 | CYS | 0 | -0.002 | 0.013 | 38.805 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 611 | THR | 0 | 0.011 | -0.002 | 44.067 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 612 | LEU | 0 | -0.027 | -0.018 | 38.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 613 | THR | 0 | 0.050 | 0.031 | 39.709 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 614 | LEU | 0 | -0.007 | -0.022 | 37.395 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 615 | SER | 0 | -0.001 | -0.001 | 36.286 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 616 | GLU | -1 | -0.890 | -0.914 | 35.905 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 617 | SER | 0 | -0.054 | -0.017 | 34.331 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 618 | THR | 0 | 0.025 | -0.006 | 28.902 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 619 | MET | 0 | 0.004 | 0.002 | 26.871 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 620 | ASN | 0 | 0.039 | 0.024 | 24.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 621 | THR | 0 | -0.045 | -0.027 | 28.834 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 622 | LEU | 0 | 0.011 | 0.017 | 32.103 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 623 | LYS | 1 | 0.887 | 0.928 | 35.600 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 625 | THR | 0 | -0.023 | -0.008 | 42.426 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 626 | VAL | 0 | -0.035 | -0.028 | 45.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 627 | GLY | 0 | 0.002 | 0.028 | 47.856 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 628 | PRO | 0 | 0.004 | -0.010 | 51.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 629 | ALA | 0 | 0.008 | 0.012 | 53.118 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 630 | MET | 0 | -0.035 | -0.009 | 53.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 631 | ASN | 0 | -0.007 | -0.003 | 55.893 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 632 | LYS | 1 | 0.819 | 0.889 | 56.689 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 633 | HIS | 0 | 0.059 | 0.038 | 54.024 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 634 | PHE | 0 | 0.001 | -0.022 | 52.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 635 | ASN | 0 | -0.031 | -0.007 | 48.325 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 636 | MET | 0 | -0.009 | 0.010 | 48.295 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 637 | SER | 0 | -0.005 | -0.029 | 44.361 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 638 | ILE | 0 | -0.022 | 0.002 | 41.118 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 639 | ILE | 0 | -0.031 | -0.021 | 41.483 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 640 | ILE | 0 | -0.005 | 0.002 | 36.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 641 | SER | 0 | -0.001 | -0.017 | 37.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 642 | ASN | 0 | 0.076 | 0.036 | 31.445 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 643 | GLY | 0 | -0.028 | -0.024 | 35.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 644 | HIS | 0 | -0.074 | -0.038 | 30.805 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 645 | GLY | 0 | 0.050 | 0.023 | 35.349 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 646 | THR | 0 | -0.022 | -0.007 | 36.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 647 | THR | 0 | -0.027 | -0.010 | 34.729 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 648 | GLN | 0 | 0.029 | 0.004 | 37.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 649 | TYR | 0 | 0.050 | 0.012 | 36.902 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 650 | SER | 0 | 0.011 | 0.013 | 40.932 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 651 | THR | 0 | -0.039 | -0.014 | 42.923 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 652 | PHE | 0 | 0.044 | 0.044 | 44.306 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 653 | SER | 0 | 0.014 | -0.003 | 45.979 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 654 | TYR | 0 | 0.010 | -0.002 | 49.567 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 655 | VAL | 0 | 0.016 | 0.007 | 51.506 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 656 | ASP | -1 | -0.868 | -0.961 | 53.917 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 657 | PRO | 0 | -0.053 | -0.005 | 55.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |