NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
631970 | 6bqs | 27313 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6bqs save_assign_stereo _Stereo_assign_list.Sf_category stereo_assignments _Stereo_assign_list.Triplet_count 192 _Stereo_assign_list.Swap_count 0 _Stereo_assign_list.Swap_percentage 0.0 _Stereo_assign_list.Deassign_count 0 _Stereo_assign_list.Deassign_percentage 0.0 _Stereo_assign_list.Model_count 21 _Stereo_assign_list.Total_e_low_states 1.436 _Stereo_assign_list.Total_e_high_states 388.234 _Stereo_assign_list.Crit_abs_e_diff 0.100 _Stereo_assign_list.Crit_rel_e_diff 0.000 _Stereo_assign_list.Crit_mdls_favor_pct 75.0 _Stereo_assign_list.Crit_sing_mdl_viol 1.000 _Stereo_assign_list.Crit_multi_mdl_viol 0.500 _Stereo_assign_list.Crit_multi_mdl_pct 50.0 _Stereo_assign_list.Details ; Description of the tags in this list: * 1 * NMR-STAR 3 administrative tag * 2 * NMR-STAR 3 administrative tag * 3 * NMR-STAR 3 administrative tag * 4 * Number of triplets (atom-group pair and pseudo) * 5 * Number of triplets that were swapped * 6 * Percentage of triplets that were swapped * 7 * Number of deassigned triplets * 8 * Percentage of deassigned triplets * 9 * Number of models in ensemble * 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2) * 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2) * 12 * Item 9-8 * 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2) * 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2) * 15 * Criterium for swapping assignment on the percentage of models favoring a swap * 16 * Criterium for deassignment on a single model violation (Ang.) * 17 * Criterium for deassignment on a multiple model violation (Ang.) * 18 * Criterium for deassignment on a percentage of models * 19 * this tag Description of the tags in the table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Name of pseudoatom representing the triplet * 5 * Ordinal number of assignment (1 is assigned first) * 6 * 'yes' if assignment state is swapped with respect to restraint file * 7 * Percentage of models in which the assignment with the lowest overall energy is favoured * 8 * Percentage of difference between lowest and highest overall energy with respect to the highest overall energy * 9 * Difference between lowest and highest overall energy * 10 * Energy of the highest overall energy state (Ang.**2) * 11 * Energy of the lowest overall energy state (Ang.**2) * 12 * Number of restraints involved with the triplet. The highest ranking triplet on this number, is assigned first * 13 * Number of restraints involved with the triplet that are ambiguous besides the ambiguity from this triplet * 14 * 'yes' if restraints included in this triplet are deassigned * 15 * Maximum unaveraged violation before deassignment (Ang.) * 16 * Number of violated restraints above threshold for a single model before deassignment (given by Single_mdl_crit_count) * 17 * Number of violated restraints above threshold for a multiple models before deassignment (given by Multi_mdl_crit_count) * 18 * NMR-STAR 3.0 administrative tag * 19 * NMR-STAR 3.0 administrative tag ; loop_ _Stereo_assign.Entity_assembly_ID _Stereo_assign.Comp_index_ID _Stereo_assign.Comp_ID _Stereo_assign.Pseudo_Atom_ID _Stereo_assign.Num _Stereo_assign.Swapped _Stereo_assign.Models_favoring_pct _Stereo_assign.Energy_difference_pct _Stereo_assign.Energy_difference _Stereo_assign.Energy_high_state _Stereo_assign.Energy_low_state _Stereo_assign.Constraint_count _Stereo_assign.Constraint_ambi_count _Stereo_assign.Deassigned _Stereo_assign.Violation_max _Stereo_assign.Single_mdl_crit_count _Stereo_assign.Multi_mdl_crit_count 1 7 TYR QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 9 GLU QB 57 no 100.0 99.5 2.841 2.854 0.013 8 1 no 0.230 0 0 1 9 GLU QG 138 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.120 0 0 1 10 VAL QG 12 no 100.0 99.9 27.625 27.645 0.020 26 5 no 0.218 0 0 1 11 MET QB 56 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.192 0 0 1 11 MET QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 12 ASN QB 55 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.054 0 0 1 13 ARG QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 13 ARG QG 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 14 LYS QB 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 14 LYS QE 191 no 100.0 0.0 0.000 0.001 0.001 2 2 no 0.095 0 0 1 14 LYS QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.052 0 0 1 15 VAL QG 13 no 100.0 100.0 14.738 14.742 0.003 23 2 no 0.106 0 0 1 18 LEU QB 22 no 100.0 100.0 1.877 1.877 0.000 16 6 no 0.070 0 0 1 18 LEU QD 9 no 100.0 99.8 9.107 9.123 0.016 27 4 no 0.332 0 0 1 19 ASP QB 135 no 100.0 0.0 0.000 0.022 0.022 4 0 no 0.294 0 0 1 20 SER QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 21 VAL QG 2 no 100.0 99.9 22.614 22.637 0.023 36 9 no 0.184 0 0 1 22 PRO QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 22 PRO QD 85 no 100.0 92.2 0.312 0.338 0.026 6 2 no 0.165 0 0 1 23 PRO QD 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 23 PRO QG 182 no 100.0 100.0 1.295 1.296 0.000 2 0 no 0.060 0 0 1 25 GLU QB 144 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0 1 25 GLU QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 26 TYR QB 65 no 100.0 100.0 0.697 0.697 0.000 7 1 no 0.023 0 0 1 29 LEU QB 36 no 100.0 99.9 1.519 1.520 0.001 12 4 no 0.058 0 0 1 29 LEU QD 1 no 100.0 99.8 18.548 18.590 0.042 38 8 no 0.226 0 0 1 32 ASP QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 33 PHE QB 44 no 100.0 100.0 0.679 0.679 0.000 10 0 no 0.000 0 0 1 35 ARG QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0 1 35 ARG QG 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 36 ILE QG 43 no 100.0 99.9 5.175 5.178 0.004 11 2 no 0.081 0 0 1 39 VAL QG 29 no 100.0 99.9 8.102 8.114 0.012 13 0 no 0.210 0 0 1 42 SER QB 54 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.128 0 0 1 43 ASP QB 132 no 0.0 0.0 0.000 0.004 0.004 4 0 no 0.213 0 0 1 44 TRP QB 81 no 100.0 99.9 0.947 0.948 0.001 6 0 no 0.083 0 0 1 45 MET QB 28 no 100.0 93.2 0.468 0.502 0.034 13 0 no 0.247 0 0 1 48 TYR QB 80 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 49 TYR QB 131 no 100.0 99.7 3.340 3.348 0.008 4 0 no 0.128 0 0 1 52 TYR QB 79 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 53 CYS QB 64 no 100.0 100.0 1.844 1.844 0.000 7 0 no 0.061 0 0 1 54 ARG QD 143 no 100.0 0.0 0.000 0.012 0.012 4 2 no 0.244 0 0 1 55 ILE QG 91 no 100.0 100.0 1.861 1.861 0.000 5 0 no 0.000 0 0 1 56 ILE QG 39 no 100.0 99.8 0.944 0.946 0.002 11 0 no 0.150 0 0 1 57 PRO QB 90 no 100.0 100.0 1.473 1.473 0.000 5 0 no 0.046 0 0 1 57 PRO QD 53 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0 1 57 PRO QG 58 no 100.0 99.7 3.556 3.567 0.011 8 2 no 0.135 0 0 1 59 PHE QB 89 no 100.0 100.0 1.689 1.689 0.000 5 0 no 0.000 0 0 1 61 ASN QB 50 no 100.0 96.9 0.574 0.592 0.018 9 1 no 0.225 0 0 1 61 ASN QD 18 no 100.0 98.5 2.363 2.399 0.035 19 9 no 0.218 0 0 1 62 PRO QB 66 no 100.0 98.3 1.255 1.277 0.022 7 2 no 0.296 0 0 1 62 PRO QD 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 64 GLU QB 67 no 100.0 98.6 2.407 2.440 0.034 7 3 no 0.218 0 0 1 64 GLU QG 30 no 100.0 94.3 0.300 0.318 0.018 13 5 no 0.229 0 0 1 67 ARG QG 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 68 LEU QB 189 no 100.0 100.0 0.382 0.382 0.000 2 1 no 0.009 0 0 1 68 LEU QD 6 no 100.0 99.6 14.994 15.057 0.063 32 9 no 0.250 0 0 1 69 CYS QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 70 GLU QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 70 GLU QG 128 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.108 0 0 1 71 GLU QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 71 GLU QG 177 no 100.0 0.0 0.000 0.015 0.015 2 0 no 0.232 0 0 1 73 GLU QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.026 0 0 1 75 MET QG 125 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.082 0 0 1 76 LEU QB 93 no 100.0 100.0 0.568 0.568 0.000 5 1 no 0.000 0 0 1 76 LEU QD 11 no 100.0 99.9 5.361 5.367 0.006 26 4 no 0.123 0 0 1 78 LYS QB 78 no 100.0 100.0 0.308 0.308 0.000 6 0 no 0.000 0 0 1 78 LYS QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 80 GLU QB 124 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.282 0 0 1 82 LEU QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 82 LEU QD 24 no 100.0 99.5 6.844 6.876 0.031 15 0 no 0.271 0 0 1 84 GLY QA 48 no 100.0 99.6 1.383 1.388 0.005 9 0 no 0.126 0 0 1 85 ASP QB 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 86 LEU QB 60 no 100.0 0.0 0.000 0.008 0.008 8 4 no 0.319 0 0 1 86 LEU QD 33 no 85.7 80.0 0.138 0.172 0.034 12 2 no 0.341 0 0 1 87 SER QB 77 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.030 0 0 1 88 GLU QB 32 no 100.0 100.0 0.526 0.526 0.000 12 0 no 0.000 0 0 1 89 ILE QG 63 no 100.0 100.0 0.459 0.459 0.000 7 0 no 0.000 0 0 1 91 CYS QB 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 92 LEU QB 84 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0 1 92 LEU QD 7 no 100.0 99.9 12.868 12.881 0.014 31 1 no 0.172 0 0 1 95 MET QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 95 MET QG 25 no 95.2 99.8 3.350 3.356 0.006 15 2 no 0.348 0 0 1 100 ARG QB 76 no 100.0 0.0 0.000 0.014 0.014 6 0 no 0.243 0 0 1 100 ARG QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 101 LEU QB 49 no 100.0 100.0 0.112 0.112 0.000 9 1 no 0.002 0 0 1 101 LEU QD 8 no 100.0 99.9 19.981 19.993 0.012 27 4 no 0.154 0 0 1 102 LEU QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 102 LEU QD 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 103 VAL QG 42 no 100.0 99.7 2.435 2.441 0.006 11 2 no 0.191 0 0 1 104 ASN QD 147 no 100.0 0.0 0.000 0.003 0.003 4 4 no 0.123 0 0 1 105 PRO QB 140 no 100.0 99.8 0.288 0.288 0.001 4 1 no 0.102 0 0 1 105 PRO QD 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.047 0 0 1 105 PRO QG 88 no 100.0 98.6 2.053 2.082 0.029 5 0 no 0.388 0 0 1 106 GLN QB 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 107 GLU QB 87 no 100.0 0.0 0.000 0.003 0.003 6 4 no 0.123 0 0 1 107 GLU QG 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 108 ARG QB 41 no 100.0 100.0 1.942 1.943 0.001 11 1 no 0.069 0 0 1 108 ARG QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 109 TRP QB 40 no 100.0 99.5 2.417 2.430 0.013 11 1 no 0.197 0 0 1 110 GLN QB 117 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.108 0 0 1 112 TYR QB 62 no 100.0 100.0 1.183 1.183 0.000 7 0 no 0.000 0 0 1 115 GLU QG 170 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.087 0 0 1 118 ARG QG 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 119 GLN QE 75 no 100.0 0.0 0.000 0.032 0.032 6 0 no 0.233 0 0 1 120 LEU QB 83 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0 1 120 LEU QD 4 no 100.0 99.8 25.732 25.771 0.039 34 7 no 0.212 0 0 1 122 VAL QG 14 no 100.0 99.9 26.503 26.530 0.027 22 2 no 0.319 0 0 1 124 LEU QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 124 LEU QD 3 no 100.0 100.0 21.105 21.107 0.003 34 2 no 0.119 0 0 1 125 GLU QG 74 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.039 0 0 1 127 ASN QB 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 128 PRO QD 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 130 ASN QB 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 130 ASN QD 27 no 100.0 85.0 0.845 0.994 0.149 13 0 no 0.458 0 0 1 131 PRO QB 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.052 0 0 1 131 PRO QD 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 132 ARG QB 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 132 ARG QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 134 TYR QB 61 no 100.0 100.0 1.346 1.346 0.000 7 0 no 0.000 0 0 1 135 PHE QB 52 no 100.0 100.0 0.792 0.792 0.000 8 0 no 0.000 0 0 1 136 LEU QB 190 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0 1 136 LEU QD 21 no 100.0 0.0 0.000 0.001 0.001 16 2 no 0.067 0 0 1 137 GLN QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 137 GLN QE 26 no 100.0 0.0 0.000 0.013 0.013 14 8 no 0.200 0 0 1 137 GLN QG 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.055 0 0 1 139 GLN QB 20 no 100.0 99.9 0.817 0.817 0.001 18 8 no 0.065 0 0 1 139 GLN QE 86 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0 1 139 GLN QG 19 no 100.0 96.0 1.286 1.339 0.053 18 5 no 0.224 0 0 1 140 SER QB 47 no 100.0 0.0 0.000 0.007 0.007 10 6 no 0.200 0 0 1 141 LEU QB 82 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0 1 141 LEU QD 5 no 100.0 99.9 25.710 25.725 0.016 32 7 no 0.159 0 0 1 142 LEU QB 35 no 100.0 100.0 1.522 1.522 0.000 12 4 no 0.050 0 0 1 142 LEU QD 17 no 100.0 99.8 17.116 17.144 0.028 20 7 no 0.167 0 0 1 143 TYR QB 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 145 PRO QD 110 no 100.0 0.0 0.000 0.021 0.021 4 0 no 0.233 0 0 1 147 GLN QG 73 no 0.0 0.0 0.000 0.003 0.003 6 0 no 0.168 0 0 1 148 PHE QB 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 149 GLY QA 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 150 GLY QA 92 no 57.1 100.0 0.151 0.151 0.000 5 1 no 0.000 0 0 1 151 GLY QA 192 no 100.0 100.0 0.336 0.336 0.000 1 0 no 0.000 0 0 1 153 ASP QB 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.037 0 0 1 154 LYS QG 45 no 100.0 99.9 3.642 3.646 0.004 10 2 no 0.139 0 0 1 156 LEU QB 162 no 100.0 0.0 0.000 0.012 0.012 2 0 no 0.140 0 0 1 156 LEU QD 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0 1 157 PRO QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 157 PRO QD 31 no 100.0 99.8 1.623 1.627 0.004 12 0 no 0.207 0 0 1 157 PRO QG 160 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.264 0 0 1 158 PHE QB 72 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 160 GLU QB 106 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.195 0 0 1 160 GLU QG 105 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 161 LYS QB 38 no 71.4 95.2 1.035 1.087 0.052 11 0 no 0.285 0 0 1 161 LYS QD 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 161 LYS QE 104 no 100.0 0.0 0.000 0.022 0.022 4 0 no 0.290 0 0 1 163 VAL QG 15 no 100.0 99.9 8.190 8.202 0.012 22 3 no 0.200 0 0 1 164 SER QB 158 no 100.0 0.0 0.000 0.029 0.029 2 0 no 0.273 0 0 1 165 CYS QB 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 171 VAL QG 16 no 100.0 99.9 16.705 16.723 0.017 21 3 no 0.207 0 0 1 173 PRO QB 149 no 100.0 99.7 1.672 1.676 0.004 3 0 no 0.131 0 0 1 173 PRO QG 37 no 100.0 99.6 3.208 3.219 0.012 11 0 no 0.143 0 0 1 175 TYR QB 142 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0 1 177 PRO QB 51 no 38.1 100.0 0.108 0.108 0.000 8 0 no 0.014 0 0 1 177 PRO QD 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 178 HIS QB 94 no 100.0 98.9 1.248 1.263 0.014 5 3 no 0.207 0 0 1 179 TRP QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 180 GLY QA 155 no 100.0 0.0 0.000 0.021 0.021 2 0 no 0.550 0 1 1 181 GLU QB 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.031 0 0 1 181 GLU QG 154 no 0.0 0.0 0.000 0.010 0.010 2 0 no 0.246 0 0 1 182 GLN QG 101 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 183 GLN QB 34 no 100.0 95.7 0.976 1.020 0.044 12 4 no 0.283 0 0 1 183 GLN QE 146 no 100.0 0.0 0.000 0.044 0.044 4 4 no 0.283 0 0 1 183 GLN QG 71 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.024 0 0 1 185 ARG QB 46 no 100.0 100.0 1.255 1.255 0.000 10 5 no 0.008 0 0 1 185 ARG QD 141 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.039 0 0 1 186 GLN QE 145 no 0.0 0.0 0.000 0.008 0.008 4 4 no 0.168 0 0 1 186 GLN QG 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 187 LEU QB 100 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0 1 187 LEU QD 10 no 100.0 99.7 5.059 5.076 0.017 27 7 no 0.205 0 0 1 188 LEU QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 188 LEU QD 70 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.115 0 0 1 189 MET QB 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 189 MET QG 99 no 100.0 0.0 0.000 0.009 0.009 4 0 no 0.240 0 0 1 190 LEU QB 59 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0 1 190 LEU QD 23 no 100.0 99.6 2.753 2.765 0.011 16 8 no 0.173 0 0 1 191 CYS QB 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0 1 192 LYS QB 98 no 100.0 0.0 0.000 0.009 0.009 4 0 no 0.248 0 0 1 192 LYS QG 69 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.055 0 0 1 194 GLU QB 97 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.137 0 0 1 194 GLU QG 68 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0 1 198 LEU QD 96 no 81.0 97.5 0.321 0.330 0.008 4 0 no 0.179 0 0 1 199 VAL QG 148 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0 1 200 PRO QD 95 no 100.0 0.0 0.000 0.007 0.007 4 0 no 0.298 0 0 stop_ save_
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