FMODB ID: LN6Q9
Calculation Name: 1SJP-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1SJP
Chain ID: A
UniProt ID: P9WPE7
Base Structure: X-ray
Registration Date: 2023-09-23
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 446 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -6850430.622448 |
---|---|
FMO2-HF: Nuclear repulsion | 6688091.626506 |
FMO2-HF: Total energy | -162338.995943 |
FMO2-MP2: Total energy | -162821.30787 |
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:60:LEU)
Summations of interaction energy for
fragment #1(A:60:LEU)
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. |
-0.234 | 1.674 | -0.004 | -0.914 | -0.989 | 0.004 |
Interaction energy analysis for fragmet #1(A:60:LEU)
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 | 62 | ASP | -1 | -0.797 | -0.898 | 3.795 | -2.459 | -0.551 | -0.004 | -0.914 | -0.989 | 0.004 |
4 | A | 63 | PRO | 0 | -0.013 | -0.021 | 5.625 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 64 | TYR | 0 | -0.002 | 0.006 | 7.788 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 65 | GLU | -1 | -0.738 | -0.835 | 9.065 | -1.749 | -1.749 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 66 | LYS | 1 | 0.793 | 0.892 | 6.763 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 67 | ILE | 0 | -0.001 | -0.001 | 9.580 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 68 | GLY | 0 | 0.044 | 0.025 | 12.624 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 69 | ALA | 0 | 0.023 | 0.011 | 11.787 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 70 | GLU | -1 | -0.882 | -0.924 | 11.532 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 71 | LEU | 0 | 0.028 | 0.014 | 14.887 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 72 | VAL | 0 | 0.038 | 0.011 | 17.272 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 73 | LYS | 1 | 0.890 | 0.954 | 13.783 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 74 | GLU | -1 | -0.797 | -0.876 | 18.919 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 75 | VAL | 0 | -0.008 | -0.002 | 21.165 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 76 | ALA | 0 | 0.038 | 0.009 | 21.563 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 77 | LYS | 1 | 0.786 | 0.890 | 22.284 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 78 | LYS | 1 | 0.815 | 0.899 | 24.501 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 79 | THR | 0 | -0.017 | 0.012 | 26.880 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 88 | THR | 0 | 0.103 | 0.055 | 20.776 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 89 | THR | 0 | 0.030 | -0.005 | 21.203 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 90 | ALA | 0 | 0.060 | 0.035 | 22.028 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 91 | THR | 0 | -0.039 | -0.023 | 18.291 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 92 | VAL | 0 | 0.005 | 0.001 | 16.289 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 93 | LEU | 0 | 0.008 | 0.023 | 17.600 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 94 | ALA | 0 | 0.042 | 0.016 | 20.037 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 95 | GLN | 0 | -0.078 | -0.060 | 14.401 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 96 | ALA | 0 | 0.002 | 0.013 | 15.647 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 97 | LEU | 0 | 0.012 | 0.005 | 16.665 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 98 | VAL | 0 | -0.015 | -0.003 | 17.092 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 99 | ARG | 1 | 0.737 | 0.861 | 7.186 | 2.040 | 2.040 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 100 | GLU | -1 | -0.788 | -0.898 | 13.704 | -0.985 | -0.985 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 101 | GLY | 0 | 0.039 | 0.030 | 16.608 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 102 | LEU | 0 | -0.045 | -0.028 | 15.178 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 103 | ARG | 1 | 0.784 | 0.854 | 9.255 | 1.452 | 1.452 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 104 | ASN | 0 | -0.017 | -0.026 | 16.247 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 105 | VAL | 0 | -0.001 | 0.001 | 19.767 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 106 | ALA | 0 | -0.051 | -0.022 | 17.117 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 107 | ALA | 0 | -0.051 | -0.020 | 18.625 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 108 | GLY | 0 | -0.036 | -0.014 | 20.137 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 109 | ALA | 0 | -0.023 | 0.001 | 23.044 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 110 | ASN | 0 | 0.006 | -0.009 | 24.881 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 111 | PRO | 0 | 0.025 | -0.001 | 24.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 112 | LEU | 0 | 0.018 | 0.015 | 26.330 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 113 | GLY | 0 | 0.002 | 0.000 | 29.752 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 114 | LEU | 0 | 0.010 | 0.007 | 22.047 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 115 | LYS | 1 | 0.838 | 0.935 | 26.678 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 116 | ARG | 1 | 0.857 | 0.912 | 27.791 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 117 | GLY | 0 | -0.006 | -0.002 | 28.468 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 118 | ILE | 0 | -0.055 | -0.018 | 23.206 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 119 | GLU | -1 | -0.903 | -0.970 | 27.268 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 120 | LYN | 0 | 0.085 | 0.050 | 30.626 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 121 | ALA | 0 | 0.010 | 0.007 | 28.256 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 122 | VAL | 0 | -0.011 | -0.009 | 27.707 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 123 | GLU | -1 | -0.930 | -0.944 | 30.140 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 124 | LYS | 1 | 0.808 | 0.893 | 32.437 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 125 | VAL | 0 | 0.014 | 0.002 | 28.225 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 126 | THR | 0 | -0.028 | -0.026 | 31.572 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 127 | GLU | -1 | -0.830 | -0.905 | 34.038 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 128 | THR | 0 | -0.055 | -0.045 | 32.331 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 129 | LEU | 0 | -0.035 | -0.023 | 30.135 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 130 | LEU | 0 | -0.004 | -0.001 | 34.249 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 131 | LYS | 1 | 0.821 | 0.921 | 36.525 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 132 | GLY | 0 | -0.017 | -0.002 | 36.853 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 133 | ALA | 0 | -0.077 | -0.021 | 37.564 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 134 | LYS | 1 | 0.908 | 0.959 | 38.103 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 135 | GLU | -1 | -0.840 | -0.931 | 40.696 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 136 | VAL | 0 | -0.084 | -0.045 | 41.326 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 137 | GLU | -1 | -0.944 | -0.969 | 44.588 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 138 | THR | 0 | -0.038 | -0.036 | 48.300 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 139 | LYS | 1 | 0.910 | 0.925 | 48.353 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 140 | GLU | -1 | -0.855 | -0.939 | 48.281 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 141 | GLN | 0 | 0.050 | 0.050 | 44.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 142 | ILE | 0 | 0.040 | 0.038 | 43.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 143 | ALA | 0 | 0.003 | 0.003 | 43.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 144 | ALA | 0 | -0.017 | -0.011 | 42.291 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 145 | THR | 0 | -0.022 | -0.023 | 38.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 146 | ALA | 0 | 0.009 | 0.007 | 39.104 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 147 | ALA | 0 | -0.003 | -0.003 | 40.195 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 148 | ILE | 0 | -0.048 | -0.015 | 35.089 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 149 | SER | 0 | -0.024 | -0.011 | 35.439 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 150 | ALA | 0 | -0.001 | 0.011 | 36.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 151 | GLY | 0 | -0.029 | -0.004 | 36.971 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 152 | ASP | -1 | -0.883 | -0.956 | 37.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 153 | GLN | 0 | -0.015 | -0.030 | 41.556 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 154 | SER | 0 | -0.025 | 0.013 | 44.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 155 | ILE | 0 | -0.007 | -0.022 | 42.141 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 156 | GLY | 0 | 0.028 | 0.014 | 43.891 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 157 | ASP | -1 | -0.849 | -0.933 | 44.470 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 158 | LEU | 0 | -0.043 | -0.017 | 48.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 159 | ILE | 0 | 0.002 | -0.002 | 42.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 160 | ALA | 0 | 0.007 | 0.008 | 47.061 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 161 | GLU | -1 | -0.862 | -0.922 | 48.547 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 162 | ALA | 0 | -0.016 | -0.021 | 49.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 163 | MET | 0 | -0.055 | -0.021 | 45.185 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 164 | ASP | -1 | -0.838 | -0.875 | 50.205 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 165 | LYS | 1 | 0.726 | 0.845 | 53.293 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 166 | VAL | 0 | -0.023 | 0.004 | 52.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 167 | GLY | 0 | 0.004 | 0.011 | 52.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 168 | ASN | 0 | 0.053 | 0.012 | 47.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 169 | GLU | -1 | -0.850 | -0.934 | 47.436 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 170 | GLY | 0 | -0.018 | 0.004 | 48.522 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 171 | VAL | 0 | -0.040 | -0.019 | 49.091 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 172 | ILE | 0 | 0.047 | 0.031 | 47.098 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 173 | THR | 0 | -0.024 | -0.023 | 47.018 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 174 | VAL | 0 | 0.001 | 0.014 | 44.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 175 | GLU | -1 | -0.814 | -0.895 | 47.107 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 176 | GLU | -1 | -0.824 | -0.911 | 45.276 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 177 | SER | 0 | 0.002 | -0.010 | 48.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 178 | ASN | 0 | -0.023 | -0.009 | 50.882 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 179 | THR | 0 | -0.052 | -0.046 | 52.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 180 | PHE | 0 | 0.018 | 0.025 | 49.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 181 | GLY | 0 | 0.012 | -0.002 | 49.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 182 | LEU | 0 | -0.007 | 0.003 | 46.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 183 | GLN | 0 | -0.011 | 0.007 | 50.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 184 | LEU | 0 | 0.015 | 0.007 | 51.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 185 | GLU | -1 | -0.822 | -0.865 | 53.619 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 186 | LEU | 0 | 0.012 | -0.009 | 54.437 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 187 | THR | 0 | -0.023 | 0.000 | 57.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 188 | GLU | -1 | -0.776 | -0.898 | 58.467 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 189 | GLY | 0 | 0.019 | 0.005 | 57.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 190 | MET | 0 | -0.023 | -0.004 | 55.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 191 | ARG | 1 | 0.834 | 0.899 | 45.274 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 192 | PHE | 0 | -0.021 | -0.024 | 51.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 193 | ASP | -1 | -0.796 | -0.887 | 46.707 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 194 | LYS | 1 | 0.820 | 0.901 | 48.640 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 195 | GLY | 0 | 0.080 | 0.081 | 47.963 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 196 | TYR | 0 | -0.047 | -0.048 | 44.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 197 | ILE | 0 | -0.066 | -0.030 | 49.389 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 198 | SER | 0 | -0.015 | -0.015 | 49.375 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 199 | GLY | 0 | 0.084 | 0.039 | 45.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 200 | TYR | 0 | -0.014 | -0.007 | 46.915 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 201 | PHE | 0 | -0.001 | -0.012 | 49.047 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 202 | VAL | 0 | -0.054 | -0.006 | 44.719 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 203 | THR | 0 | -0.039 | -0.032 | 48.018 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 204 | ASP | -1 | -0.811 | -0.886 | 43.445 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 205 | PRO | 0 | -0.029 | -0.048 | 42.380 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 206 | GLU | -1 | -0.929 | -0.952 | 39.469 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 207 | ARG | 1 | 0.752 | 0.832 | 38.935 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 208 | GLN | 0 | -0.054 | -0.012 | 40.242 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 209 | GLU | -1 | -0.784 | -0.846 | 42.625 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 210 | ALA | 0 | -0.017 | -0.020 | 45.926 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 211 | VAL | 0 | 0.018 | 0.011 | 49.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 212 | LEU | 0 | -0.083 | -0.045 | 51.801 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 213 | GLU | -1 | -0.807 | -0.900 | 55.591 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 214 | ASP | -1 | -0.844 | -0.916 | 57.893 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 215 | PRO | 0 | -0.069 | -0.015 | 58.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 216 | TYR | 0 | 0.052 | 0.012 | 61.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 217 | ILE | 0 | -0.025 | -0.024 | 59.572 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 218 | LEU | 0 | 0.004 | 0.014 | 62.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 219 | LEU | 0 | 0.029 | 0.025 | 61.685 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 220 | VAL | 0 | 0.012 | 0.002 | 63.247 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 221 | SER | 0 | -0.005 | 0.001 | 63.457 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 222 | SER | 0 | -0.078 | -0.043 | 63.975 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 223 | LYS | 1 | 0.925 | 0.958 | 61.249 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 224 | VAL | 0 | 0.032 | 0.021 | 61.718 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 225 | SER | 0 | 0.021 | -0.002 | 61.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 226 | THR | 0 | -0.041 | -0.043 | 63.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 227 | VAL | 0 | 0.019 | 0.002 | 64.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 228 | LYS | 1 | 0.891 | 0.939 | 66.947 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 229 | ASP | -1 | -0.784 | -0.870 | 69.438 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 230 | LEU | 0 | 0.013 | 0.008 | 63.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 231 | LEU | 0 | -0.025 | -0.003 | 67.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 232 | PRO | 0 | 0.046 | 0.025 | 69.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 233 | LEU | 0 | 0.017 | 0.025 | 68.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 234 | LEU | 0 | -0.021 | -0.031 | 64.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 235 | GLU | -1 | -0.915 | -0.962 | 67.633 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 236 | LYS | 1 | 0.805 | 0.893 | 70.110 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 237 | VAL | 0 | -0.013 | -0.010 | 65.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 238 | ILE | 0 | -0.034 | -0.019 | 65.517 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 239 | GLY | 0 | -0.028 | -0.012 | 67.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 240 | ALA | 0 | -0.046 | -0.016 | 68.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 241 | GLY | 0 | -0.035 | -0.008 | 66.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 242 | LYS | 1 | 0.830 | 0.904 | 63.445 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 243 | PRO | 0 | -0.019 | -0.010 | 58.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 244 | LEU | 0 | -0.027 | -0.006 | 60.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 245 | LEU | 0 | 0.010 | 0.014 | 55.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 246 | ILE | 0 | -0.035 | -0.015 | 58.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 247 | ILE | 0 | 0.017 | 0.009 | 57.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 248 | ALA | 0 | 0.043 | 0.022 | 58.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 249 | GLU | -1 | -0.840 | -0.896 | 58.451 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 250 | ASP | -1 | -0.749 | -0.876 | 55.515 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 251 | VAL | 0 | -0.023 | -0.003 | 57.114 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 252 | GLU | -1 | -0.855 | -0.929 | 56.922 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 253 | GLY | 0 | 0.001 | -0.001 | 57.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 254 | GLU | -1 | -0.893 | -0.929 | 58.102 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 255 | ALA | 0 | 0.047 | 0.025 | 61.281 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 256 | LEU | 0 | -0.018 | -0.007 | 53.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 257 | SER | 0 | -0.045 | -0.037 | 56.653 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 258 | THR | 0 | -0.009 | -0.015 | 57.663 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 259 | LEU | 0 | 0.016 | 0.021 | 58.074 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 260 | VAL | 0 | 0.012 | 0.006 | 52.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 261 | VAL | 0 | -0.018 | -0.018 | 55.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 262 | ASN | 0 | -0.023 | -0.028 | 57.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 263 | LYS | 1 | 0.839 | 0.962 | 50.780 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 264 | ILE | 0 | -0.047 | -0.028 | 51.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 265 | ARG | 1 | 0.874 | 0.934 | 54.812 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 266 | GLY | 0 | -0.018 | 0.008 | 57.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 267 | THR | 0 | -0.050 | -0.032 | 58.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 268 | PHE | 0 | 0.045 | 0.006 | 60.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 269 | LYS | 1 | 0.967 | 0.986 | 55.508 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 270 | SER | 0 | 0.026 | 0.021 | 57.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 271 | VAL | 0 | 0.020 | -0.004 | 53.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 272 | ALA | 0 | 0.024 | 0.017 | 54.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 273 | VAL | 0 | 0.006 | 0.009 | 52.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 274 | LYS | 1 | 0.822 | 0.893 | 51.877 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 275 | ALA | 0 | 0.024 | 0.003 | 54.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 276 | PRO | 0 | 0.001 | 0.017 | 53.690 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 277 | GLY | 0 | 0.066 | 0.023 | 55.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 278 | PHE | 0 | -0.018 | -0.020 | 56.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 279 | GLY | 0 | 0.048 | 0.023 | 58.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 280 | ASP | -1 | -0.814 | -0.907 | 62.541 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 281 | ARG | 1 | 0.848 | 0.908 | 60.143 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 282 | ARG | 1 | 0.879 | 0.939 | 58.705 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 283 | LYS | 1 | 0.815 | 0.890 | 60.713 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 284 | ALA | 0 | -0.010 | 0.004 | 63.110 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 285 | MET | 0 | 0.059 | 0.026 | 55.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 286 | LEU | 0 | -0.023 | -0.017 | 61.138 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 287 | GLN | 0 | -0.001 | 0.000 | 62.686 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 288 | ASP | -1 | -0.730 | -0.831 | 61.589 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 289 | MET | 0 | 0.002 | -0.003 | 58.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 290 | ALA | 0 | -0.018 | 0.008 | 62.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 291 | ILE | 0 | -0.015 | -0.010 | 65.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 292 | LEU | 0 | -0.004 | 0.007 | 60.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 293 | THR | 0 | -0.012 | -0.037 | 62.484 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 294 | GLY | 0 | 0.046 | 0.037 | 64.502 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 295 | GLY | 0 | -0.037 | -0.019 | 68.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 296 | GLN | 0 | -0.038 | -0.019 | 68.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 297 | VAL | 0 | -0.026 | -0.013 | 65.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 298 | ILE | 0 | -0.005 | 0.001 | 67.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 299 | SER | 0 | -0.005 | -0.035 | 68.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 300 | GLU | -1 | -0.827 | -0.926 | 70.613 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 301 | GLU | -1 | -0.889 | -0.919 | 69.348 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 302 | VAL | 0 | -0.030 | -0.011 | 72.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 303 | GLY | 0 | 0.018 | 0.006 | 75.167 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 304 | LEU | 0 | -0.080 | -0.023 | 72.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 305 | THR | 0 | 0.020 | -0.003 | 72.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 306 | LEU | 0 | -0.023 | -0.016 | 67.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 307 | GLU | -1 | -0.911 | -0.949 | 71.475 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 308 | ASN | 0 | -0.127 | -0.059 | 73.857 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 309 | ALA | 0 | 0.030 | 0.018 | 71.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 310 | ASP | -1 | -0.773 | -0.866 | 73.121 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 311 | LEU | 0 | 0.008 | -0.022 | 70.064 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 312 | SER | 0 | -0.061 | -0.020 | 71.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 313 | LEU | 0 | -0.014 | -0.006 | 71.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 314 | LEU | 0 | -0.008 | 0.013 | 66.346 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 315 | GLY | 0 | 0.053 | 0.035 | 65.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 316 | LYS | 1 | 0.799 | 0.880 | 64.590 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 317 | ALA | 0 | 0.040 | 0.023 | 60.176 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 318 | ARG | 1 | 0.809 | 0.901 | 55.274 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 319 | LYS | 1 | 0.767 | 0.860 | 53.259 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 320 | VAL | 0 | -0.013 | 0.007 | 54.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 321 | VAL | 0 | 0.002 | -0.003 | 48.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 322 | VAL | 0 | -0.012 | 0.000 | 49.596 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 323 | THR | 0 | 0.058 | 0.023 | 44.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 324 | LYS | 1 | 0.847 | 0.889 | 39.567 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 325 | ASP | -1 | -0.861 | -0.923 | 42.226 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 326 | GLU | -1 | -0.850 | -0.881 | 45.653 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 327 | THR | 0 | 0.005 | -0.030 | 47.707 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 328 | THR | 0 | -0.018 | -0.009 | 50.157 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 329 | ILE | 0 | -0.033 | -0.016 | 52.648 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 330 | VAL | 0 | 0.003 | -0.006 | 54.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 331 | GLU | -1 | -0.810 | -0.896 | 57.036 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 332 | GLY | 0 | -0.006 | 0.009 | 60.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 333 | ALA | 0 | -0.012 | -0.021 | 63.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 334 | GLY | 0 | -0.009 | 0.006 | 66.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 335 | ASP | -1 | -0.926 | -0.959 | 68.569 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 336 | THR | 0 | 0.017 | -0.004 | 68.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 337 | ASP | -1 | -0.903 | -0.949 | 69.903 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 338 | ALA | 0 | -0.005 | 0.005 | 70.741 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 339 | ILE | 0 | 0.026 | 0.014 | 64.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 340 | ALA | 0 | 0.001 | 0.002 | 67.277 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 341 | GLY | 0 | 0.014 | 0.008 | 68.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 342 | ARG | 1 | 0.805 | 0.879 | 65.481 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 343 | VAL | 0 | 0.027 | 0.014 | 63.851 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 344 | ALA | 0 | -0.029 | -0.019 | 66.260 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 345 | GLN | 0 | 0.005 | 0.008 | 69.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 346 | ILE | 0 | 0.016 | 0.010 | 62.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 347 | ARG | 1 | 0.959 | 0.977 | 62.840 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 348 | GLN | 0 | 0.000 | 0.002 | 66.741 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 349 | GLU | -1 | -0.887 | -0.932 | 66.465 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 350 | ILE | 0 | -0.041 | -0.022 | 62.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 351 | GLU | -1 | -0.899 | -0.949 | 65.556 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 352 | ASN | 0 | -0.151 | -0.081 | 68.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 353 | SER | 0 | -0.027 | -0.002 | 65.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 354 | ASP | -1 | -0.857 | -0.929 | 66.431 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 355 | SER | 0 | -0.035 | -0.025 | 63.252 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 356 | ASP | -1 | -0.840 | -0.907 | 58.467 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 357 | TYR | 0 | 0.055 | 0.026 | 56.219 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 358 | ASP | -1 | -0.873 | -0.945 | 58.556 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 359 | ARG | 1 | 0.889 | 0.926 | 60.899 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 360 | GLU | -1 | -0.917 | -0.954 | 54.140 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 361 | LYS | 1 | 0.791 | 0.900 | 56.808 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 362 | LEU | 0 | -0.051 | -0.015 | 57.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 363 | GLN | 0 | 0.046 | 0.009 | 57.320 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 364 | GLU | -1 | -0.865 | -0.910 | 53.442 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 365 | ARG | 1 | 0.701 | 0.803 | 56.285 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 366 | LEU | 0 | -0.033 | -0.011 | 59.226 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 367 | ALA | 0 | 0.021 | 0.008 | 55.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 368 | LYS | 1 | 0.779 | 0.876 | 53.398 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 369 | LEU | 0 | -0.025 | -0.014 | 57.230 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 370 | ALA | 0 | -0.063 | -0.033 | 60.057 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 371 | GLY | 0 | -0.004 | 0.018 | 56.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 372 | GLY | 0 | -0.003 | 0.011 | 56.959 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 373 | VAL | 0 | -0.061 | -0.042 | 52.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 374 | ALA | 0 | 0.042 | 0.037 | 51.318 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 375 | VAL | 0 | -0.031 | -0.028 | 50.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 376 | ILE | 0 | 0.027 | 0.020 | 46.692 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 377 | LYS | 1 | 0.772 | 0.864 | 49.056 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 378 | ALA | 0 | 0.053 | 0.013 | 45.388 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 379 | GLY | 0 | -0.002 | 0.011 | 47.478 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 380 | ALA | 0 | -0.041 | -0.022 | 44.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 381 | ALA | 0 | -0.039 | -0.029 | 45.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 382 | THR | 0 | -0.038 | -0.015 | 41.957 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 383 | GLU | -1 | -0.869 | -0.944 | 42.404 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 384 | VAL | 0 | -0.005 | -0.004 | 36.470 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 385 | GLU | -1 | -0.841 | -0.921 | 38.868 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 386 | LEU | 0 | -0.021 | -0.010 | 40.608 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 387 | LYS | 1 | 0.847 | 0.925 | 39.526 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 388 | GLU | -1 | -0.846 | -0.913 | 34.258 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 389 | ARG | 1 | 0.803 | 0.902 | 38.183 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 390 | LYS | 1 | 0.842 | 0.914 | 40.953 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 391 | HIS | 0 | -0.023 | -0.027 | 36.675 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 392 | ARG | 1 | 0.883 | 0.935 | 35.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 393 | ILE | 0 | -0.004 | 0.005 | 38.502 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 394 | GLU | -1 | -0.760 | -0.868 | 40.163 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 395 | ASP | -1 | -0.845 | -0.924 | 34.616 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 396 | ALA | 0 | 0.012 | 0.019 | 37.767 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 397 | VAL | 0 | -0.001 | 0.005 | 39.522 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 398 | ARG | 1 | 0.843 | 0.911 | 33.296 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 399 | ASN | 0 | -0.060 | -0.044 | 34.739 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 400 | ALA | 0 | 0.037 | 0.019 | 38.133 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 401 | LYS | 1 | 0.800 | 0.891 | 41.570 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 402 | ALA | 0 | 0.011 | -0.001 | 37.440 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 403 | ALA | 0 | -0.047 | -0.027 | 38.943 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 404 | VAL | 0 | -0.013 | 0.003 | 40.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 405 | GLU | -1 | -0.872 | -0.925 | 41.234 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 406 | GLU | -1 | -0.796 | -0.886 | 37.602 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 407 | GLY | 0 | 0.068 | 0.047 | 40.096 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 408 | ILE | 0 | -0.051 | -0.026 | 36.337 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 409 | VAL | 0 | -0.014 | -0.011 | 32.179 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 410 | ALA | 0 | 0.013 | 0.014 | 31.631 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 411 | GLY | 0 | 0.100 | 0.068 | 29.839 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 412 | GLY | 0 | 0.018 | -0.001 | 25.993 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 413 | GLY | 0 | -0.034 | -0.029 | 23.921 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 414 | VAL | 0 | -0.021 | -0.006 | 24.911 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 415 | THR | 0 | 0.012 | -0.022 | 26.587 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 416 | LEU | 0 | -0.020 | -0.008 | 24.735 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 417 | LEU | 0 | 0.020 | 0.008 | 22.059 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 418 | GLN | 0 | 0.003 | -0.014 | 24.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 419 | ALA | 0 | 0.027 | 0.030 | 28.170 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 420 | ALA | 0 | 0.016 | 0.020 | 24.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 421 | PRO | 0 | 0.011 | -0.008 | 26.903 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 422 | THR | 0 | -0.019 | -0.012 | 28.998 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 423 | LEU | 0 | -0.061 | -0.024 | 26.769 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 424 | ASP | -1 | -0.891 | -0.947 | 28.867 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 425 | GLU | -1 | -0.894 | -0.937 | 31.669 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 426 | LEU | 0 | -0.057 | -0.021 | 31.416 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 427 | LYS | 1 | 0.916 | 0.957 | 32.812 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 428 | LEU | 0 | 0.044 | 0.025 | 30.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 429 | GLU | -1 | -0.922 | -0.966 | 32.198 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 430 | GLY | 0 | 0.004 | -0.005 | 30.474 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 431 | ASP | -1 | -0.826 | -0.926 | 27.305 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 432 | GLU | -1 | -0.808 | -0.907 | 27.414 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 433 | ALA | 0 | 0.017 | 0.019 | 28.649 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 434 | THR | 0 | -0.005 | 0.004 | 22.738 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 435 | GLY | 0 | 0.021 | 0.011 | 23.727 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 436 | ALA | 0 | 0.042 | 0.009 | 24.830 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 437 | ASN | 0 | -0.043 | -0.050 | 23.179 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 438 | ILE | 0 | -0.003 | 0.008 | 19.746 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 439 | VAL | 0 | -0.013 | -0.002 | 20.928 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 440 | LYS | 1 | 0.801 | 0.911 | 22.983 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 441 | VAL | 0 | -0.003 | 0.010 | 16.490 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 442 | ALA | 0 | -0.018 | -0.021 | 18.716 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 443 | LEU | 0 | -0.022 | -0.013 | 19.749 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 444 | GLU | -1 | -0.761 | -0.859 | 17.088 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 445 | ALA | 0 | -0.015 | 0.002 | 16.624 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 446 | PRO | 0 | -0.022 | -0.023 | 17.533 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 447 | LEU | 0 | 0.060 | 0.043 | 19.794 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 448 | LYS | 1 | 0.780 | 0.874 | 14.215 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 449 | GLN | 0 | -0.018 | -0.002 | 13.137 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 450 | ILE | 0 | 0.037 | 0.020 | 16.297 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 451 | ALA | 0 | -0.008 | -0.005 | 17.170 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 452 | PHE | 0 | -0.018 | -0.007 | 10.014 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 453 | ASN | 0 | -0.079 | -0.055 | 15.085 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 454 | SER | 0 | -0.002 | 0.011 | 17.221 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 455 | GLY | 0 | -0.033 | -0.005 | 16.005 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 456 | LEU | 0 | -0.063 | -0.031 | 17.059 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 457 | GLU | -1 | -0.815 | -0.910 | 12.887 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 458 | PRO | 0 | 0.034 | 0.009 | 12.548 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 459 | GLY | 0 | -0.007 | -0.011 | 14.257 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 460 | VAL | 0 | -0.027 | -0.019 | 15.698 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 461 | VAL | 0 | -0.020 | -0.004 | 18.199 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 462 | ALA | 0 | 0.012 | 0.012 | 18.343 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 463 | GLU | -1 | -0.798 | -0.901 | 19.804 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 464 | LYS | 1 | 0.827 | 0.935 | 21.721 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 465 | VAL | 0 | -0.005 | -0.006 | 23.447 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 466 | ARG | 1 | 0.804 | 0.893 | 23.020 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 467 | ASN | 0 | -0.096 | -0.037 | 24.741 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 468 | LEU | 0 | -0.020 | 0.002 | 27.407 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 469 | PRO | 0 | -0.003 | -0.011 | 29.922 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 470 | ALA | 0 | 0.013 | 0.013 | 31.896 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 471 | GLY | 0 | 0.025 | 0.018 | 31.739 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 472 | HIS | 0 | -0.096 | -0.056 | 31.505 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 473 | GLY | 0 | 0.027 | -0.003 | 27.526 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 474 | LEU | 0 | -0.036 | -0.016 | 22.134 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 475 | ASN | 0 | 0.066 | 0.026 | 26.089 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 476 | ALA | 0 | -0.011 | -0.020 | 23.934 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 477 | GLN | 0 | -0.017 | 0.001 | 25.512 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 478 | THR | 0 | -0.024 | -0.012 | 28.433 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 479 | GLY | 0 | -0.018 | 0.000 | 26.086 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 480 | VAL | 0 | -0.041 | -0.019 | 27.069 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 481 | TYR | 0 | 0.023 | -0.005 | 23.028 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 482 | GLU | -1 | -0.833 | -0.916 | 29.543 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 483 | ASP | -1 | -0.814 | -0.918 | 31.794 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 484 | LEU | 0 | 0.001 | 0.001 | 28.033 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 485 | LEU | 0 | -0.005 | 0.004 | 32.764 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 486 | ALA | 0 | -0.032 | -0.016 | 35.990 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 487 | ALA | 0 | -0.046 | -0.019 | 33.789 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 488 | GLY | 0 | 0.007 | 0.006 | 35.305 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 489 | VAL | 0 | -0.043 | -0.009 | 29.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 490 | ALA | 0 | -0.018 | -0.015 | 31.970 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 491 | ASP | -1 | -0.858 | -0.929 | 29.350 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 492 | PRO | 0 | 0.025 | 0.008 | 32.714 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 493 | VAL | 0 | -0.015 | -0.010 | 33.659 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 494 | LYS | 1 | 0.823 | 0.913 | 33.837 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 495 | VAL | 0 | 0.005 | 0.014 | 30.012 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 496 | THR | 0 | -0.012 | -0.001 | 28.776 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 497 | ARG | 1 | 0.819 | 0.881 | 29.306 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 498 | SER | 0 | -0.033 | -0.026 | 31.136 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 499 | ALA | 0 | -0.016 | -0.013 | 26.237 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 500 | LEU | 0 | 0.020 | -0.001 | 26.059 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 501 | GLN | 0 | 0.045 | 0.033 | 27.205 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 502 | ASN | 0 | -0.016 | -0.013 | 27.682 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 503 | ALA | 0 | -0.003 | 0.001 | 23.118 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 504 | ALA | 0 | 0.024 | 0.009 | 24.240 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 505 | SER | 0 | -0.013 | 0.000 | 26.456 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 506 | ILE | 0 | -0.042 | -0.016 | 22.298 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 507 | ALA | 0 | 0.020 | -0.005 | 22.523 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 508 | GLY | 0 | 0.036 | 0.006 | 23.466 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 509 | LEU | 0 | -0.031 | 0.003 | 25.629 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 510 | PHE | 0 | 0.000 | -0.020 | 19.223 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 511 | LEU | 0 | -0.009 | 0.024 | 21.430 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 512 | THR | 0 | -0.080 | -0.052 | 24.612 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 513 | THR | 0 | -0.015 | 0.008 | 25.202 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |