FMODB ID: 6G6JZ
Calculation Name: 4D8M-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4D8M
Chain ID: A
UniProt ID: Q45712
Base Structure: X-ray
Registration Date: 2023-09-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 583 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12333562.58671 |
---|---|
FMO2-HF: Nuclear repulsion | 12101444.786232 |
FMO2-HF: Total energy | -232117.800478 |
FMO2-MP2: Total energy | -232796.651705 |
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:112:LYS)
Summations of interaction energy for
fragment #1(A:112:LYS)
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. |
-45.586 | -44.849 | 14.16 | -7.201 | -7.696 | -0.017 |
Interaction energy analysis for fragmet #1(A:112:LYS)
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 | 114 | GLN | 0 | -0.075 | -0.047 | 2.231 | -11.333 | -8.354 | 2.762 | -3.030 | -2.710 | -0.027 |
4 | A | 115 | GLN | 0 | -0.070 | -0.034 | 1.977 | -6.900 | -9.545 | 11.399 | -4.017 | -4.738 | 0.010 |
5 | A | 116 | LEU | 0 | 0.035 | 0.006 | 4.126 | 4.129 | 4.532 | -0.001 | -0.154 | -0.248 | 0.000 |
6 | A | 117 | PHE | 0 | 0.035 | 0.022 | 6.189 | 0.657 | 0.657 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 118 | ASN | 0 | 0.041 | 0.015 | 7.427 | 2.194 | 2.194 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 119 | ALA | 0 | 0.076 | 0.041 | 8.533 | 1.633 | 1.633 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 120 | ILE | 0 | -0.069 | -0.026 | 9.955 | 1.289 | 1.289 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 121 | MET | 0 | 0.000 | -0.004 | 12.216 | 1.696 | 1.696 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 122 | ASP | -1 | -0.863 | -0.926 | 11.875 | -19.872 | -19.872 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 123 | ALA | 0 | -0.036 | -0.022 | 14.575 | 1.141 | 1.141 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 124 | VAL | 0 | -0.029 | -0.023 | 16.435 | 1.140 | 1.140 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 125 | ASN | 0 | 0.019 | 0.014 | 17.689 | 0.745 | 0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 126 | LYS | 1 | 0.935 | 0.950 | 19.216 | 14.281 | 14.281 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 127 | MET | 0 | -0.041 | -0.010 | 20.512 | 0.828 | 0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 128 | VAL | 0 | -0.034 | -0.029 | 22.203 | 0.667 | 0.667 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 129 | ASP | -1 | -0.772 | -0.862 | 23.588 | -11.651 | -11.651 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 130 | ASN | 0 | -0.045 | -0.034 | 24.692 | 0.819 | 0.819 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 131 | LYS | 1 | 0.907 | 0.960 | 25.327 | 11.662 | 11.662 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 132 | PHE | 0 | 0.025 | 0.014 | 25.932 | 0.452 | 0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 133 | LEU | 0 | 0.018 | 0.026 | 29.788 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 134 | SER | 0 | 0.000 | -0.004 | 31.278 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 135 | TYR | 0 | -0.032 | -0.016 | 32.584 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 136 | ASN | 0 | -0.004 | 0.007 | 34.002 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 137 | LEU | 0 | 0.075 | 0.031 | 34.963 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 138 | SER | 0 | -0.039 | -0.003 | 37.153 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 139 | THR | 0 | -0.032 | -0.038 | 37.763 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 140 | LEU | 0 | 0.024 | 0.019 | 39.030 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 141 | ASN | 0 | -0.018 | -0.027 | 41.015 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 142 | LYS | 1 | 0.824 | 0.898 | 43.308 | 7.033 | 7.033 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 143 | THR | 0 | -0.040 | -0.029 | 43.913 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 144 | ILE | 0 | 0.004 | 0.001 | 45.461 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 145 | GLU | -1 | -0.850 | -0.904 | 46.546 | -6.506 | -6.506 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 146 | GLY | 0 | 0.005 | 0.008 | 49.109 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 147 | LEU | 0 | -0.038 | -0.004 | 48.815 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 148 | GLN | 0 | 0.030 | 0.011 | 51.976 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 149 | GLY | 0 | 0.014 | 0.010 | 53.629 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 150 | ASN | 0 | -0.066 | -0.048 | 54.173 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 151 | LEU | 0 | 0.054 | 0.032 | 55.286 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 152 | GLY | 0 | 0.024 | 0.020 | 58.030 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 153 | LEU | 0 | -0.031 | -0.013 | 58.458 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 154 | PHE | 0 | 0.022 | 0.010 | 60.866 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 155 | GLN | 0 | 0.057 | 0.034 | 62.288 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 156 | ASN | 0 | -0.040 | -0.038 | 63.112 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 157 | ALA | 0 | -0.018 | 0.001 | 65.833 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 158 | ILE | 0 | 0.006 | 0.011 | 65.514 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 159 | GLN | 0 | -0.007 | -0.025 | 67.708 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 160 | VAL | 0 | -0.039 | -0.020 | 70.217 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 161 | ALA | 0 | 0.036 | 0.035 | 71.775 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 162 | ILE | 0 | -0.065 | -0.025 | 71.759 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 163 | CYS | 0 | -0.015 | -0.011 | 74.791 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 164 | GLN | 0 | -0.016 | -0.005 | 72.424 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 165 | GLY | 0 | -0.014 | 0.003 | 71.282 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 166 | SER | 0 | -0.016 | -0.007 | 69.593 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 167 | THR | 0 | -0.033 | -0.011 | 71.641 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 168 | PRO | 0 | 0.012 | 0.009 | 71.461 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 169 | GLU | -1 | -0.859 | -0.935 | 72.635 | -4.218 | -4.218 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 170 | ARG | 1 | 0.851 | 0.950 | 74.756 | 4.120 | 4.120 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 171 | DVA | 1 | -0.101 | -0.183 | 77.567 | 4.083 | 4.083 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 172 | ASN | -1 | 0.093 | -0.079 | 78.513 | -4.014 | -4.014 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 173 | PHE | 0 | -0.012 | 0.228 | 78.896 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 174 | ASP | -1 | -0.849 | -0.944 | 77.515 | -4.113 | -4.113 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 175 | GLN | 0 | -0.022 | -0.015 | 79.144 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 176 | ASN | 0 | -0.086 | -0.055 | 82.441 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 177 | CYS | 0 | -0.054 | 0.019 | 77.774 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 178 | THR | 0 | -0.035 | 0.007 | 80.628 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 179 | PRO | 0 | -0.031 | -0.034 | 83.182 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 181 | ASN | 0 | 0.051 | 0.019 | 80.670 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 182 | PRO | 0 | 0.033 | 0.017 | 78.877 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 183 | ASN | 0 | -0.082 | -0.054 | 79.389 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 184 | GLN | 0 | -0.075 | -0.050 | 78.879 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 185 | PRO | 0 | 0.067 | 0.048 | 75.535 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 187 | LYS | 1 | 0.869 | 0.907 | 74.474 | 4.154 | 4.154 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 188 | ASP | -1 | -0.789 | -0.891 | 74.564 | -4.140 | -4.140 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 189 | ASP | -1 | -0.792 | -0.928 | 72.834 | -4.362 | -4.362 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 190 | LEU | 0 | -0.020 | -0.001 | 71.265 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 191 | ASP | -1 | -0.810 | -0.899 | 70.279 | -4.363 | -4.363 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 192 | ARG | 1 | 0.846 | 0.931 | 68.245 | 4.414 | 4.414 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 193 | VAL | 0 | -0.010 | -0.004 | 66.696 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 194 | ALA | 0 | 0.039 | 0.018 | 65.626 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 195 | SER | 0 | -0.027 | -0.009 | 64.355 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 196 | ARG | 1 | 0.858 | 0.912 | 62.173 | 4.788 | 4.788 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 197 | PHE | 0 | 0.022 | 0.030 | 60.982 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 198 | ASP | -1 | -0.849 | -0.926 | 60.077 | -5.071 | -5.071 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 199 | THR | 0 | -0.040 | -0.010 | 58.299 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 200 | ALA | 0 | 0.006 | 0.002 | 56.539 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 201 | ASN | 0 | 0.061 | 0.038 | 55.384 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 202 | SER | 0 | -0.033 | -0.017 | 54.887 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 203 | GLN | 0 | -0.006 | -0.004 | 51.637 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 204 | PHE | 0 | 0.056 | -0.009 | 50.844 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 205 | THR | 0 | -0.026 | -0.018 | 50.179 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 206 | GLN | 0 | -0.086 | -0.037 | 46.974 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 207 | HIS | 1 | 0.797 | 0.877 | 46.044 | 6.298 | 6.298 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 208 | LEU | 0 | 0.024 | 0.022 | 45.375 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 209 | PRO | 0 | -0.033 | -0.033 | 43.959 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 210 | GLU | -1 | -0.794 | -0.857 | 40.960 | -7.116 | -7.116 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 211 | PHE | 0 | -0.036 | -0.013 | 39.912 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 212 | LYS | 1 | 0.904 | 0.948 | 39.620 | 6.892 | 6.892 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 213 | ASN | 0 | -0.046 | -0.019 | 36.720 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 214 | PRO | 0 | 0.037 | 0.030 | 33.832 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 215 | TRP | 0 | -0.010 | -0.003 | 25.228 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 216 | SER | 0 | -0.017 | -0.024 | 27.316 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 217 | ASP | -1 | -0.799 | -0.884 | 23.204 | -11.917 | -11.917 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 218 | GLU | -1 | -0.891 | -0.953 | 21.746 | -11.860 | -11.860 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 219 | ASN | 0 | -0.123 | -0.068 | 19.115 | -0.931 | -0.931 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 220 | SER | 0 | -0.008 | -0.015 | 20.851 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 221 | THR | 0 | -0.025 | 0.000 | 20.943 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 222 | GLN | 0 | 0.053 | -0.004 | 23.449 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 223 | GLU | -1 | -0.858 | -0.907 | 24.896 | -11.588 | -11.588 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 224 | PHE | 0 | 0.042 | 0.036 | 25.684 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 225 | LYS | 1 | 0.858 | 0.936 | 25.258 | 11.754 | 11.754 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 226 | ARG | 1 | 0.887 | 0.945 | 29.856 | 10.127 | 10.127 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 227 | THR | 0 | -0.055 | -0.048 | 28.817 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 228 | SER | 0 | 0.024 | -0.006 | 30.649 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 229 | VAL | 0 | -0.017 | 0.016 | 33.197 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 230 | GLU | -1 | -0.789 | -0.890 | 34.884 | -8.705 | -8.705 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 231 | LEU | 0 | -0.036 | -0.005 | 34.042 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 232 | THR | 0 | -0.013 | -0.023 | 36.724 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 233 | LEU | 0 | 0.025 | 0.025 | 39.198 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 234 | PRO | 0 | 0.046 | 0.016 | 40.712 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 235 | MET | 0 | -0.028 | 0.007 | 41.254 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 236 | TYR | 0 | 0.049 | 0.018 | 43.131 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 237 | THR | 0 | 0.005 | -0.011 | 44.952 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 238 | THR | 0 | -0.035 | -0.007 | 47.014 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 239 | VAL | 0 | -0.012 | -0.010 | 46.931 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 240 | ALA | 0 | 0.005 | 0.007 | 48.935 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 241 | THR | 0 | -0.002 | -0.013 | 50.639 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 242 | LEU | 0 | -0.029 | -0.009 | 51.620 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 243 | HIS | 0 | 0.003 | 0.015 | 52.902 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 244 | LEU | 0 | 0.000 | -0.004 | 53.842 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 245 | LEU | 0 | 0.022 | 0.016 | 56.737 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 246 | LEU | 0 | -0.063 | -0.020 | 57.155 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 247 | TYR | 0 | -0.043 | -0.055 | 57.223 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 248 | GLU | -1 | -0.884 | -0.947 | 60.886 | -5.062 | -5.062 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 249 | GLY | 0 | 0.030 | 0.013 | 62.686 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 250 | TYR | 0 | -0.036 | -0.037 | 63.727 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 251 | ILE | 0 | 0.005 | 0.008 | 63.555 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 252 | GLU | -1 | -0.844 | -0.870 | 66.919 | -4.635 | -4.635 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 253 | PHE | 0 | -0.003 | -0.009 | 68.385 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 254 | MET | 0 | -0.029 | -0.010 | 68.830 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 255 | THR | 0 | -0.037 | -0.030 | 70.498 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 256 | LYS | 1 | 0.848 | 0.937 | 72.820 | 4.271 | 4.271 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 257 | TRP | 0 | -0.014 | -0.007 | 73.105 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 258 | ASN | 0 | -0.051 | -0.027 | 75.833 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 259 | PHE | 0 | 0.019 | 0.011 | 70.514 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 260 | HIS | 0 | -0.043 | -0.010 | 68.743 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 261 | ASN | 0 | 0.013 | 0.014 | 72.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 262 | GLU | -1 | -0.809 | -0.906 | 72.388 | -4.319 | -4.319 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 263 | GLN | 0 | 0.025 | 0.010 | 70.977 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 264 | TYR | 0 | 0.002 | 0.001 | 65.053 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 265 | LEU | 0 | 0.018 | 0.009 | 67.293 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 266 | ASN | 0 | -0.020 | -0.038 | 67.395 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 267 | ASN | 0 | -0.068 | -0.029 | 62.618 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 268 | LEU | 0 | 0.016 | 0.012 | 62.797 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 269 | LYS | 1 | 0.869 | 0.934 | 62.406 | 4.490 | 4.490 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 270 | VAL | 0 | -0.003 | 0.005 | 61.204 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 271 | GLU | -1 | -0.814 | -0.876 | 58.859 | -5.255 | -5.255 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 272 | LEU | 0 | 0.012 | 0.013 | 57.823 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 273 | GLN | 0 | -0.053 | -0.048 | 57.800 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 274 | GLN | 0 | -0.013 | -0.011 | 55.708 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 275 | LEU | 0 | -0.036 | -0.004 | 52.979 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 276 | ILE | 0 | 0.024 | 0.019 | 52.955 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 277 | HIS | 0 | -0.076 | -0.029 | 52.583 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 278 | SER | 0 | 0.005 | 0.000 | 49.611 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 279 | TYR | 0 | -0.028 | -0.041 | 48.532 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 280 | SER | 0 | 0.037 | -0.005 | 48.199 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 281 | GLU | -1 | -0.741 | -0.844 | 46.542 | -6.801 | -6.801 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 282 | THR | 0 | -0.052 | -0.005 | 43.419 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 283 | VAL | 0 | 0.011 | 0.019 | 43.527 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 284 | ARG | 1 | 0.765 | 0.849 | 43.856 | 6.593 | 6.593 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 285 | THR | 0 | -0.027 | -0.037 | 41.755 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 286 | SER | 0 | -0.005 | -0.016 | 39.366 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 287 | PHE | 0 | 0.012 | 0.004 | 38.805 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 288 | LEU | 0 | -0.006 | 0.006 | 39.316 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 289 | GLN | 0 | -0.043 | -0.010 | 34.187 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 290 | PHE | 0 | 0.011 | 0.001 | 31.211 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 291 | LEU | 0 | 0.039 | 0.043 | 35.145 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 292 | PRO | 0 | -0.084 | -0.041 | 33.383 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 293 | THR | 0 | 0.009 | -0.001 | 31.694 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 294 | LEU | 0 | -0.026 | 0.003 | 33.273 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 295 | ASN | 0 | 0.031 | 0.011 | 31.240 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 296 | ASN | 0 | 0.006 | -0.024 | 34.492 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 297 | ARG | 1 | 0.912 | 0.954 | 36.201 | 8.128 | 8.128 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 298 | SER | 0 | 0.001 | 0.023 | 31.186 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 299 | LYS | 1 | 0.847 | 0.923 | 33.762 | 8.742 | 8.742 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 300 | SER | 0 | 0.021 | 0.013 | 30.085 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 301 | SER | 0 | -0.019 | 0.004 | 31.645 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 302 | VAL | 0 | 0.035 | 0.013 | 32.927 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 303 | ASN | 0 | 0.011 | -0.006 | 34.770 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 304 | ALA | 0 | -0.005 | 0.000 | 32.348 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 305 | TYR | 0 | 0.006 | -0.002 | 34.459 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 306 | ASN | 0 | 0.010 | -0.007 | 37.170 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 307 | ARG | 1 | 0.858 | 0.903 | 35.154 | 9.150 | 9.150 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 308 | TYR | 0 | -0.053 | -0.034 | 36.016 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 309 | VAL | 0 | 0.022 | 0.001 | 38.376 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 310 | ARG | 1 | 0.807 | 0.889 | 39.902 | 8.003 | 8.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 311 | ASN | 0 | -0.032 | -0.021 | 38.014 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 312 | MET | 0 | 0.019 | 0.011 | 38.930 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 313 | THR | 0 | -0.041 | -0.028 | 42.599 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 314 | VAL | 0 | -0.008 | 0.002 | 45.925 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 315 | ASN | 0 | -0.028 | -0.010 | 42.198 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 316 | CYS | 0 | -0.051 | -0.023 | 43.773 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 317 | LEU | 0 | 0.005 | 0.006 | 44.990 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 318 | ASP | -1 | -0.757 | -0.852 | 48.222 | -6.237 | -6.237 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 319 | ILE | 0 | -0.014 | 0.001 | 49.078 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 320 | ALA | 0 | 0.041 | 0.020 | 49.383 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 321 | ALA | 0 | -0.010 | 0.000 | 51.450 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 322 | THR | 0 | -0.066 | -0.049 | 53.867 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 323 | TRP | 0 | -0.011 | 0.008 | 48.539 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 324 | PRO | 0 | -0.026 | -0.026 | 55.405 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 325 | THR | 0 | -0.097 | -0.060 | 58.504 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 326 | PHE | 0 | 0.069 | 0.033 | 57.091 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 327 | ASP | -1 | -0.799 | -0.874 | 60.778 | -4.951 | -4.951 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 328 | THR | 0 | -0.005 | -0.043 | 62.573 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 329 | HIS | 0 | -0.007 | 0.002 | 65.853 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 330 | ASN | 0 | -0.074 | -0.057 | 64.660 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 331 | TYR | 0 | -0.071 | -0.050 | 62.903 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 332 | HIS | 0 | -0.011 | -0.010 | 66.783 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 333 | GLN | 0 | 0.037 | 0.045 | 68.293 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 334 | GLY | 0 | 0.115 | 0.075 | 64.443 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 335 | GLY | 0 | -0.034 | -0.045 | 63.502 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 336 | LYS | 1 | 0.856 | 0.934 | 61.471 | 5.131 | 5.131 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 337 | LEU | 0 | -0.014 | -0.019 | 58.319 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 338 | ASP | -1 | -0.838 | -0.907 | 59.370 | -5.268 | -5.268 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 339 | LEU | 0 | -0.029 | -0.015 | 53.649 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 340 | THR | 0 | -0.023 | -0.060 | 55.339 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 341 | ARG | 1 | 0.744 | 0.845 | 50.163 | 6.289 | 6.289 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 342 | ILE | 0 | -0.003 | 0.013 | 48.319 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 343 | ILE | 0 | -0.027 | 0.001 | 45.925 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 344 | LEU | 0 | -0.002 | -0.003 | 43.418 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 345 | SER | 0 | 0.001 | -0.004 | 43.513 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 346 | ASP | -1 | -0.789 | -0.867 | 38.747 | -8.356 | -8.356 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 347 | THR | 0 | -0.060 | -0.014 | 38.269 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 348 | ALA | 0 | -0.001 | -0.001 | 40.302 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 349 | GLY | 0 | 0.068 | 0.040 | 40.771 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 350 | PRO | 0 | -0.056 | -0.038 | 39.864 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 351 | ILE | 0 | -0.081 | -0.027 | 35.579 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 352 | GLU | -1 | -0.812 | -0.914 | 36.823 | -8.515 | -8.515 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 353 | GLU | -1 | -0.821 | -0.869 | 35.251 | -8.847 | -8.847 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 354 | TYR | 0 | 0.002 | -0.026 | 31.569 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 355 | THR | 0 | 0.039 | 0.030 | 30.620 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 356 | THR | 0 | -0.067 | -0.037 | 31.170 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 357 | GLY | 0 | -0.012 | 0.003 | 32.399 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 358 | ASP | -1 | -0.827 | -0.907 | 30.876 | -9.380 | -9.380 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 359 | LYS | 1 | 0.807 | 0.894 | 31.425 | 8.913 | 8.913 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 360 | THR | 0 | -0.005 | -0.014 | 29.753 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 361 | SER | 0 | 0.032 | 0.005 | 26.653 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 362 | GLY | 0 | 0.044 | 0.015 | 28.812 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 363 | PRO | 0 | 0.014 | 0.001 | 30.294 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 364 | GLU | -1 | -0.797 | -0.891 | 25.326 | -11.357 | -11.357 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 365 | HIS | 0 | -0.087 | -0.043 | 23.679 | -0.518 | -0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 366 | SER | 0 | -0.079 | -0.045 | 28.689 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 367 | ASN | 0 | -0.026 | -0.005 | 31.996 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 368 | ILE | 0 | 0.002 | -0.016 | 34.577 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 369 | THR | 0 | -0.039 | -0.017 | 38.263 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 370 | PRO | 0 | 0.035 | 0.024 | 40.767 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 371 | ASN | 0 | -0.016 | -0.010 | 43.949 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 372 | ASN | 0 | 0.049 | 0.007 | 47.558 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 373 | ILE | 0 | -0.012 | -0.017 | 50.450 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 374 | LEU | 0 | 0.016 | 0.001 | 52.925 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 375 | ASP | -1 | -0.826 | -0.861 | 52.775 | -5.958 | -5.958 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 376 | THR | 0 | -0.025 | -0.028 | 55.671 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 377 | PRO | 0 | -0.010 | -0.006 | 58.194 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 378 | SER | 0 | -0.050 | -0.055 | 59.886 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 379 | PRO | 0 | -0.002 | 0.000 | 59.639 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 380 | THR | 0 | -0.015 | 0.007 | 56.384 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 381 | TYR | 0 | -0.001 | 0.007 | 53.870 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 382 | GLN | 0 | -0.007 | -0.008 | 51.997 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 383 | HIS | 1 | 0.794 | 0.878 | 50.829 | 6.046 | 6.046 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 384 | SER | 0 | -0.011 | -0.012 | 49.454 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 385 | PHE | 0 | -0.044 | -0.032 | 41.009 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 386 | VAL | 0 | -0.017 | -0.003 | 45.274 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 387 | SER | 0 | -0.030 | -0.034 | 42.149 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 388 | VAL | 0 | 0.046 | 0.009 | 40.232 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 389 | ASP | -1 | -0.820 | -0.876 | 41.887 | -7.462 | -7.462 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 390 | SER | 0 | -0.088 | -0.049 | 43.822 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 391 | ILE | 0 | -0.025 | 0.001 | 46.258 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 392 | VAL | 0 | -0.018 | -0.008 | 48.861 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 393 | TYR | 0 | -0.008 | -0.018 | 52.187 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 394 | SER | 0 | -0.015 | -0.031 | 55.170 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 395 | ARG | 1 | 0.770 | 0.880 | 56.914 | 5.293 | 5.293 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 396 | LYS | 1 | 0.853 | 0.927 | 59.603 | 5.341 | 5.341 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 397 | GLU | -1 | -0.740 | -0.866 | 59.957 | -5.494 | -5.494 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 398 | LEU | 0 | -0.082 | -0.017 | 55.959 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 399 | GLN | 0 | 0.006 | -0.009 | 59.954 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 400 | GLN | 0 | -0.060 | -0.062 | 60.969 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 401 | LEU | 0 | -0.010 | 0.010 | 53.501 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 402 | ASP | -1 | -0.824 | -0.874 | 57.812 | -5.276 | -5.276 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 403 | ILE | 0 | -0.001 | -0.022 | 51.770 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 404 | ALA | 0 | 0.002 | 0.019 | 54.903 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 405 | THR | 0 | 0.017 | -0.021 | 52.140 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 406 | TYR | 0 | 0.015 | 0.012 | 50.962 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 407 | SER | 0 | -0.004 | -0.022 | 51.727 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 408 | THR | 0 | 0.008 | 0.006 | 50.384 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 409 | ASN | 0 | 0.016 | 0.003 | 52.826 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 410 | ASN | 0 | -0.047 | -0.016 | 49.033 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 411 | SER | 0 | 0.067 | 0.050 | 51.411 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 412 | ASN | 0 | -0.011 | 0.004 | 46.322 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 413 | ASN | 0 | 0.021 | 0.015 | 45.505 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 414 | CYS | 0 | -0.024 | -0.022 | 47.291 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 415 | HIS | 1 | 0.890 | 0.940 | 46.524 | 6.683 | 6.683 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 416 | PRO | 0 | 0.035 | 0.023 | 47.940 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 417 | TYR | 0 | -0.007 | 0.005 | 48.801 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 418 | GLY | 0 | 0.050 | 0.020 | 50.556 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 419 | LEU | 0 | -0.043 | -0.008 | 50.570 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 420 | ARG | 1 | 0.847 | 0.905 | 54.270 | 5.335 | 5.335 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 421 | LEU | 0 | -0.008 | 0.012 | 53.418 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 422 | SER | 0 | 0.033 | -0.002 | 57.865 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 423 | TYR | 0 | 0.000 | -0.029 | 56.168 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 424 | THR | 0 | 0.049 | 0.016 | 62.728 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 425 | ASP | -1 | -0.812 | -0.853 | 64.474 | -4.993 | -4.993 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 426 | GLY | 0 | -0.001 | 0.004 | 66.741 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 427 | SER | 0 | -0.098 | -0.060 | 63.237 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 428 | ARG | 1 | 0.925 | 0.942 | 61.472 | 5.029 | 5.029 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 429 | TYR | 0 | -0.017 | -0.007 | 57.019 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 430 | ASP | -1 | -0.693 | -0.794 | 56.643 | -5.421 | -5.421 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 431 | TYR | 0 | -0.015 | -0.013 | 47.575 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 432 | GLY | 0 | 0.035 | 0.009 | 51.604 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 433 | ASP | -1 | -0.919 | -0.934 | 48.257 | -6.588 | -6.588 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 434 | ASN | 0 | -0.054 | -0.040 | 50.150 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 435 | GLN | 0 | 0.004 | -0.003 | 53.630 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 436 | PRO | 0 | -0.038 | -0.008 | 55.339 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 437 | ASP | -1 | -0.786 | -0.844 | 57.135 | -5.149 | -5.149 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 438 | PHE | 0 | -0.055 | -0.055 | 56.714 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 439 | THR | 0 | -0.061 | -0.030 | 60.943 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 440 | THR | 0 | -0.045 | -0.047 | 61.615 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 441 | SER | 0 | -0.043 | -0.040 | 61.755 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 442 | ASN | 0 | 0.016 | 0.015 | 60.828 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 443 | ASN | 0 | -0.026 | -0.021 | 58.481 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 444 | ASN | 0 | -0.080 | -0.059 | 55.938 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 445 | TYR | 0 | 0.029 | 0.017 | 56.171 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 446 | CYS | 0 | -0.014 | 0.006 | 52.852 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 447 | HIS | 0 | 0.035 | 0.020 | 57.358 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 448 | ASN | 0 | -0.002 | 0.010 | 55.722 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 449 | SER | 0 | -0.015 | -0.034 | 58.191 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 450 | TYR | 0 | -0.019 | -0.020 | 54.936 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 451 | THR | 0 | 0.017 | 0.007 | 59.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 452 | ALA | 0 | -0.004 | 0.012 | 59.396 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 453 | PRO | 0 | 0.028 | -0.004 | 58.676 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 454 | ILE | 0 | -0.029 | -0.003 | 53.355 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 455 | THR | 0 | -0.003 | -0.023 | 53.686 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 456 | LEU | 0 | -0.014 | -0.016 | 46.622 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 457 | VAL | 0 | 0.016 | 0.009 | 47.512 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 458 | ASN | 0 | 0.001 | 0.027 | 43.580 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 459 | ALA | 0 | 0.039 | 0.029 | 42.671 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 460 | ARG | 1 | 0.806 | 0.872 | 42.453 | 6.673 | 6.673 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 461 | HIS | 0 | 0.025 | 0.008 | 38.843 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 462 | LEU | 0 | -0.017 | 0.007 | 40.309 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 463 | TYR | 0 | -0.078 | -0.075 | 35.470 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 464 | ASN | 0 | 0.014 | -0.005 | 36.504 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 465 | ALA | 0 | -0.012 | 0.005 | 36.453 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 466 | LYS | 1 | 0.892 | 0.959 | 34.661 | 8.816 | 8.816 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 467 | GLY | 0 | 0.017 | 0.002 | 37.597 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 468 | SER | 0 | 0.013 | -0.016 | 40.029 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 469 | LEU | 0 | -0.028 | -0.010 | 40.741 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 470 | GLN | 0 | 0.026 | 0.024 | 40.970 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 471 | ASN | 0 | -0.014 | -0.032 | 41.036 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 472 | VAL | 0 | -0.014 | 0.021 | 43.075 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 473 | GLU | -1 | -0.820 | -0.930 | 44.036 | -7.377 | -7.377 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 474 | SER | 0 | -0.061 | -0.066 | 45.610 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 475 | LEU | 0 | 0.057 | 0.021 | 46.087 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 476 | VAL | 0 | -0.045 | -0.025 | 47.697 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 477 | VAL | 0 | 0.018 | 0.021 | 49.520 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 478 | SER | 0 | -0.023 | -0.013 | 51.721 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 479 | THR | 0 | 0.020 | -0.002 | 53.915 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 480 | VAL | 0 | 0.014 | -0.004 | 56.705 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 481 | ASN | 0 | -0.028 | -0.009 | 59.027 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 482 | GLY | 0 | 0.042 | 0.030 | 58.267 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 483 | GLY | 0 | 0.008 | 0.011 | 55.228 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 484 | SER | 0 | -0.038 | -0.004 | 54.180 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 485 | GLY | 0 | 0.036 | 0.023 | 51.736 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 486 | SER | 0 | 0.016 | 0.012 | 50.967 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 488 | ILE | 0 | 0.045 | 0.022 | 53.720 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 490 | ASP | -1 | -0.774 | -0.845 | 49.712 | -6.616 | -6.616 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 491 | ALA | 0 | 0.005 | 0.005 | 50.258 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 492 | TRP | 0 | 0.018 | 0.009 | 49.266 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 493 | ILE | 0 | -0.010 | -0.007 | 44.941 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 494 | ASN | 0 | -0.017 | -0.011 | 46.735 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 495 | TYR | 0 | -0.048 | 0.000 | 49.113 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 496 | LEU | 0 | -0.050 | -0.019 | 44.939 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 497 | ARG | 1 | 0.808 | 0.856 | 37.697 | 8.137 | 8.137 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 498 | PRO | 0 | 0.019 | 0.012 | 40.217 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 499 | PRO | 0 | -0.043 | -0.005 | 40.402 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 500 | GLN | 0 | 0.014 | 0.024 | 33.824 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 501 | THR | 0 | -0.009 | -0.035 | 38.463 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 502 | SER | 0 | 0.039 | 0.030 | 38.618 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 503 | LYS | 1 | 0.817 | 0.900 | 37.110 | 8.490 | 8.490 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 504 | ASN | 0 | 0.025 | 0.024 | 40.504 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 505 | GLU | -1 | -0.875 | -0.929 | 43.066 | -7.404 | -7.404 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 506 | SER | 0 | -0.025 | -0.016 | 45.732 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 507 | ARG | 1 | 0.865 | 0.887 | 48.182 | 6.364 | 6.364 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 508 | PRO | 0 | 0.016 | 0.010 | 51.524 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 509 | ASP | -1 | -0.789 | -0.854 | 53.008 | -5.996 | -5.996 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 510 | GLN | 0 | -0.032 | -0.011 | 48.445 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 511 | LYS | 1 | 0.762 | 0.860 | 53.844 | 5.472 | 5.472 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 512 | ILE | 0 | -0.034 | -0.010 | 49.843 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 513 | ASN | 0 | -0.018 | 0.009 | 53.157 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 514 | VAL | 0 | 0.020 | 0.020 | 51.810 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 515 | LEU | 0 | 0.017 | 0.017 | 49.789 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 516 | TYR | 0 | 0.037 | 0.015 | 47.025 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 517 | PRO | 0 | 0.013 | 0.005 | 46.535 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 518 | ILE | 0 | -0.050 | -0.006 | 40.355 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 519 | THR | 0 | 0.042 | 0.023 | 42.262 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 520 | GLU | -1 | -0.693 | -0.821 | 35.542 | -8.965 | -8.965 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 521 | THR | 0 | -0.022 | -0.011 | 32.678 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 522 | VAL | 0 | 0.024 | 0.018 | 36.013 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 523 | ASN | 0 | 0.041 | 0.043 | 33.075 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 524 | LYS | 1 | 0.957 | 0.974 | 36.385 | 8.482 | 8.482 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 525 | GLY | 0 | 0.005 | 0.000 | 38.818 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 526 | THR | 0 | -0.006 | -0.012 | 38.314 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 527 | GLY | 0 | -0.022 | -0.011 | 41.408 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 528 | GLY | 0 | 0.063 | 0.018 | 43.580 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 529 | ASN | 0 | -0.074 | -0.018 | 41.833 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 530 | LEU | 0 | -0.035 | -0.007 | 44.907 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 531 | GLY | 0 | 0.039 | 0.008 | 43.255 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 532 | VAL | 0 | -0.053 | -0.031 | 44.097 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 533 | ILE | 0 | -0.007 | 0.000 | 41.133 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 534 | SER | 0 | -0.015 | -0.006 | 44.941 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 535 | ALA | 0 | 0.004 | -0.004 | 47.105 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 536 | TYR | 0 | -0.045 | -0.035 | 45.809 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 537 | VAL | 0 | -0.006 | -0.009 | 50.498 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 538 | PRO | 0 | 0.064 | 0.029 | 53.530 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 539 | MET | 0 | -0.006 | 0.003 | 55.709 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 540 | GLU | -1 | -0.828 | -0.908 | 58.195 | -5.364 | -5.364 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 541 | LEU | 0 | -0.034 | 0.000 | 56.584 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 542 | VAL | 0 | 0.027 | 0.026 | 60.138 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 543 | PRO | 0 | -0.017 | -0.003 | 62.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 544 | GLU | -1 | -0.884 | -0.947 | 63.779 | -4.859 | -4.859 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 545 | ASN | 0 | -0.035 | -0.020 | 65.153 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 546 | VAL | 0 | 0.017 | 0.013 | 67.639 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 547 | ILE | 0 | 0.008 | 0.014 | 69.462 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 548 | GLY | 0 | 0.080 | 0.027 | 72.058 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 549 | ASP | -1 | -0.825 | -0.877 | 70.640 | -4.539 | -4.539 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 550 | VAL | 0 | 0.005 | 0.012 | 73.910 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 551 | ASN | 0 | -0.017 | -0.008 | 73.862 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 552 | ALA | 0 | 0.049 | 0.026 | 72.942 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 553 | ASP | -1 | -0.820 | -0.910 | 75.001 | -4.062 | -4.062 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 554 | THR | 0 | -0.056 | -0.023 | 77.516 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 555 | LYS | 1 | 0.790 | 0.875 | 78.783 | 4.153 | 4.153 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 556 | LEU | 0 | 0.051 | 0.032 | 79.299 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 557 | PRO | 0 | -0.002 | 0.002 | 76.970 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 558 | LEU | 0 | -0.018 | -0.016 | 70.538 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 559 | THR | 0 | -0.015 | -0.046 | 73.082 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 560 | GLN | 0 | -0.057 | -0.015 | 65.468 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 561 | LEU | 0 | -0.041 | -0.009 | 65.256 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 562 | LYS | 1 | 0.819 | 0.891 | 65.888 | 4.704 | 4.704 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 563 | GLY | 0 | 0.010 | 0.001 | 63.826 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 564 | PHE | 0 | -0.007 | -0.007 | 62.697 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 565 | PRO | 0 | 0.048 | 0.023 | 58.328 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 566 | PHE | 0 | -0.007 | -0.013 | 60.623 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 567 | GLU | -1 | -0.749 | -0.842 | 54.883 | -5.888 | -5.888 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 568 | LYS | 1 | 0.757 | 0.876 | 59.388 | 5.117 | 5.117 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 569 | TYR | 0 | 0.023 | 0.011 | 58.996 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 570 | GLY | 0 | 0.063 | 0.028 | 64.374 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 571 | SER | 0 | 0.021 | -0.011 | 66.509 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 572 | GLU | -1 | -0.926 | -0.956 | 67.878 | -4.479 | -4.479 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 573 | TYR | 0 | -0.053 | -0.063 | 64.866 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 574 | ASN | 0 | 0.025 | 0.033 | 63.345 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 575 | ASN | 0 | -0.012 | -0.008 | 62.404 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 576 | ARG | 1 | 0.882 | 0.953 | 63.956 | 4.728 | 4.728 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 577 | GLY | 0 | 0.006 | 0.015 | 60.062 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 578 | ILE | 0 | -0.007 | -0.001 | 59.063 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 579 | SER | 0 | 0.022 | 0.016 | 55.976 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 580 | LEU | 0 | -0.023 | -0.008 | 54.617 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 581 | VAL | 0 | -0.024 | -0.013 | 51.966 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 582 | ARG | 1 | 0.843 | 0.918 | 47.093 | 6.741 | 6.741 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 583 | GLU | -1 | -0.722 | -0.834 | 50.157 | -6.242 | -6.242 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 584 | TRP | 0 | 0.054 | 0.015 | 44.128 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 585 | ILE | 0 | 0.005 | 0.008 | 48.759 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 586 | ASN | 0 | -0.017 | 0.009 | 50.514 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 587 | GLY | 0 | 0.044 | 0.033 | 51.695 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 588 | ASN | 0 | -0.070 | -0.049 | 52.734 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 589 | ASN | 0 | -0.010 | -0.007 | 51.371 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 590 | ALA | 0 | 0.080 | 0.051 | 54.052 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 591 | VAL | 0 | 0.001 | -0.009 | 56.318 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 592 | LYS | 1 | 0.807 | 0.910 | 55.623 | 5.679 | 5.679 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 593 | LEU | 0 | -0.041 | -0.020 | 58.779 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 594 | SER | 0 | -0.001 | -0.033 | 60.205 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 595 | ASN | 0 | -0.036 | -0.025 | 62.441 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 596 | SER | 0 | -0.027 | -0.027 | 65.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 597 | GLN | 0 | -0.008 | 0.024 | 60.576 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 598 | SER | 0 | -0.005 | -0.038 | 65.781 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 599 | VAL | 0 | -0.011 | -0.005 | 63.542 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 600 | GLY | 0 | 0.035 | 0.013 | 66.130 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 601 | ILE | 0 | -0.030 | -0.005 | 64.574 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 602 | GLN | 0 | 0.025 | 0.027 | 67.831 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 603 | ILE | 0 | -0.022 | -0.003 | 69.047 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 604 | THR | 0 | 0.013 | -0.007 | 71.457 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 605 | ASN | 0 | 0.020 | 0.005 | 73.203 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 606 | GLN | 0 | -0.047 | -0.031 | 73.114 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 607 | THR | 0 | -0.005 | -0.011 | 77.332 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 608 | LYS | 1 | 0.734 | 0.862 | 79.446 | 3.774 | 3.774 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 609 | GLN | 0 | 0.016 | 0.009 | 77.112 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 610 | LYS | 1 | 0.847 | 0.901 | 80.153 | 3.952 | 3.952 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 611 | TYR | 0 | 0.005 | -0.001 | 74.113 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 612 | GLU | -1 | -0.798 | -0.863 | 72.083 | -4.455 | -4.455 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 613 | ILE | 0 | -0.022 | -0.013 | 71.190 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 614 | ARG | 1 | 0.765 | 0.862 | 66.965 | 4.736 | 4.736 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 615 | CYS | 0 | -0.039 | -0.013 | 65.905 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 616 | ARG | 1 | 0.842 | 0.919 | 56.234 | 5.561 | 5.561 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 617 | TYR | 0 | -0.044 | -0.052 | 60.831 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 618 | ALA | 0 | 0.064 | 0.044 | 57.188 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 619 | SER | 0 | 0.019 | -0.012 | 59.220 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 620 | LYS | 1 | 0.849 | 0.912 | 52.833 | 5.969 | 5.969 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 621 | GLY | 0 | 0.032 | 0.015 | 58.874 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 622 | ASP | -1 | -0.866 | -0.916 | 62.497 | -4.846 | -4.846 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 623 | ASN | 0 | -0.028 | -0.019 | 63.778 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 624 | ASN | 0 | 0.011 | 0.013 | 67.786 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 625 | VAL | 0 | 0.009 | -0.004 | 67.539 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 626 | TYR | 0 | -0.011 | 0.013 | 70.655 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 627 | PHE | 0 | 0.041 | 0.006 | 68.904 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 628 | ASN | 0 | -0.009 | -0.027 | 73.107 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 629 | VAL | 0 | 0.017 | 0.015 | 74.165 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 630 | ASP | -1 | -0.770 | -0.856 | 76.035 | -4.057 | -4.057 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 631 | LEU | 0 | -0.046 | -0.022 | 77.755 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 632 | SER | 0 | 0.023 | 0.000 | 80.356 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 633 | GLU | -1 | -0.857 | -0.911 | 83.357 | -3.754 | -3.754 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 634 | ASN | 0 | -0.010 | -0.019 | 83.453 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 635 | PRO | 0 | -0.017 | 0.007 | 80.843 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 636 | PHE | 0 | 0.030 | 0.016 | 76.012 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 637 | ARG | 1 | 0.810 | 0.875 | 77.667 | 3.986 | 3.986 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 638 | ASN | 0 | -0.001 | -0.007 | 76.987 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 639 | SER | 0 | -0.031 | -0.012 | 74.831 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 640 | ILE | 0 | -0.010 | -0.012 | 71.844 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 641 | SER | 0 | 0.043 | 0.028 | 71.027 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 642 | PHE | 0 | -0.036 | -0.038 | 65.605 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 643 | GLY | 0 | 0.048 | 0.032 | 66.500 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 644 | SER | 0 | -0.019 | -0.004 | 61.169 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 645 | THR | 0 | -0.001 | -0.016 | 57.741 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 646 | GLU | -1 | -0.819 | -0.910 | 54.808 | -5.871 | -5.871 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 647 | SER | 0 | -0.010 | 0.005 | 56.890 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 648 | SER | 0 | 0.004 | 0.008 | 58.355 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 649 | VAL | 0 | 0.010 | -0.011 | 56.391 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 650 | VAL | 0 | 0.041 | 0.023 | 56.525 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 651 | GLY | 0 | -0.004 | 0.010 | 57.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 652 | VAL | 0 | 0.005 | 0.011 | 52.423 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 653 | GLN | 0 | -0.053 | -0.020 | 49.384 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 654 | GLY | 0 | 0.059 | 0.016 | 50.619 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 655 | GLU | -1 | -0.871 | -0.939 | 46.413 | -6.930 | -6.930 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 656 | ASN | 0 | -0.049 | -0.040 | 49.486 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 657 | GLY | 0 | -0.013 | -0.012 | 52.533 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 658 | LYS | 1 | 0.835 | 0.932 | 53.597 | 5.712 | 5.712 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 659 | TYR | 0 | -0.052 | -0.037 | 53.897 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 660 | ILE | 0 | -0.001 | -0.002 | 57.731 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 661 | LEU | 0 | -0.005 | -0.002 | 61.084 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 662 | LYS | 1 | 0.875 | 0.948 | 64.221 | 4.686 | 4.686 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 663 | SER | 0 | -0.009 | -0.033 | 67.664 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 664 | ILE | 0 | -0.065 | -0.028 | 69.610 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 665 | THR | 0 | -0.008 | -0.010 | 73.039 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 666 | THR | 0 | 0.027 | 0.014 | 75.467 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 667 | VAL | 0 | 0.025 | 0.041 | 77.777 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 668 | GLU | -1 | -0.867 | -0.933 | 80.116 | -3.832 | -3.832 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 669 | ILE | 0 | -0.005 | 0.005 | 75.854 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 670 | PRO | 0 | 0.048 | 0.019 | 79.982 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 671 | ALA | 0 | 0.002 | 0.013 | 79.475 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 672 | GLY | 0 | 0.020 | 0.007 | 78.511 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 673 | SER | 0 | -0.035 | -0.017 | 74.651 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 674 | PHE | 0 | -0.016 | -0.005 | 74.352 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 675 | TYR | 0 | 0.048 | 0.008 | 69.575 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 676 | VAL | 0 | -0.017 | -0.004 | 70.433 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 677 | HIS | 0 | 0.021 | 0.036 | 70.015 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 678 | ILE | 0 | -0.017 | -0.012 | 66.946 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 679 | THR | 0 | 0.027 | 0.024 | 68.337 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 680 | ASN | 0 | -0.005 | 0.000 | 63.934 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 681 | GLN | 0 | 0.002 | -0.002 | 67.691 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 682 | GLY | 0 | -0.003 | 0.016 | 68.093 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 683 | SER | 0 | -0.004 | -0.003 | 65.706 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 684 | SER | 0 | 0.024 | 0.020 | 61.722 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 685 | ASP | -1 | -0.755 | -0.847 | 57.661 | -5.485 | -5.485 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 686 | LEU | 0 | -0.065 | -0.019 | 60.464 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 687 | PHE | 0 | 0.010 | 0.001 | 54.902 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 688 | LEU | 0 | 0.017 | -0.002 | 59.210 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 689 | ASP | -1 | -0.748 | -0.862 | 57.903 | -5.573 | -5.573 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 690 | ARG | 1 | 0.849 | 0.915 | 58.476 | 5.329 | 5.329 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 691 | ILE | 0 | -0.024 | 0.009 | 62.244 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 692 | GLU | -1 | -0.735 | -0.851 | 63.612 | -5.080 | -5.080 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 693 | PHE | 0 | 0.020 | -0.001 | 67.262 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 694 | VAL | 0 | 0.057 | 0.024 | 69.951 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 695 | PRO | 0 | -0.020 | 0.009 | 72.095 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 696 | LYS | 1 | 0.867 | 0.940 | 72.704 | 4.376 | 4.376 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 697 | ILE | 0 | 0.004 | 0.006 | 77.956 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 698 | GLN | 0 | -0.018 | 0.005 | 80.105 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |