NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
451181 | 2ro5 | 11034 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2ro5 save_assign_stereo _Stereo_assign_list.Sf_category stereo_assignments _Stereo_assign_list.Triplet_count 184 _Stereo_assign_list.Swap_count 60 _Stereo_assign_list.Swap_percentage 32.6 _Stereo_assign_list.Deassign_count 7 _Stereo_assign_list.Deassign_percentage 3.8 _Stereo_assign_list.Model_count 10 _Stereo_assign_list.Total_e_low_states 43.812 _Stereo_assign_list.Total_e_high_states 545.833 _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 2 LYS QB 133 no 70.0 77.1 0.714 0.926 0.212 12 11 no 0.307 0 0 1 2 LYS QD 172 no 30.0 88.1 0.214 0.243 0.029 4 3 no 0.290 0 0 1 2 LYS QE 182 no 80.0 55.4 0.024 0.043 0.019 2 2 no 0.654 0 1 1 2 LYS QG 168 no 30.0 7.5 0.013 0.180 0.167 5 5 no 0.720 0 3 1 5 GLY QA 46 no 100.0 95.2 1.826 1.919 0.093 24 19 no 0.450 0 0 1 6 ILE QG 70 no 80.0 10.8 0.062 0.576 0.514 20 12 no 0.450 0 0 1 7 VAL QG 4 no 100.0 99.0 24.434 24.672 0.238 44 26 no 0.255 0 0 1 8 ARG QB 57 no 70.0 22.6 0.038 0.167 0.129 23 22 no 0.545 0 2 1 8 ARG QD 11 no 80.0 43.1 1.580 3.664 2.084 37 34 no 0.717 0 3 1 8 ARG QG 41 no 90.0 55.7 0.139 0.250 0.111 26 26 no 0.381 0 0 1 9 ARG QB 78 no 100.0 99.6 4.596 4.612 0.016 19 15 no 0.166 0 0 1 9 ARG QD 144 no 40.0 39.6 0.241 0.609 0.368 10 10 no 0.606 0 2 1 9 ARG QG 31 yes 100.0 94.4 3.754 3.975 0.221 29 25 no 0.092 0 0 1 10 ILE QG 24 yes 100.0 85.6 2.415 2.821 0.406 30 21 no 0.717 0 1 1 11 ASP QB 113 no 100.0 91.4 0.399 0.437 0.037 14 13 no 0.256 0 0 1 12 ASP QB 177 no 10.0 26.8 0.010 0.038 0.028 4 4 no 0.333 0 0 1 13 LEU QB 79 no 100.0 94.5 1.438 1.522 0.084 19 17 no 0.137 0 0 1 13 LEU QD 36 no 100.0 100.0 8.649 8.652 0.002 26 19 no 0.094 0 0 1 14 GLY QA 20 yes 100.0 69.1 1.318 1.907 0.589 32 29 no 0.407 0 0 1 15 ARG QB 39 yes 100.0 92.8 0.174 0.188 0.014 26 24 no 0.219 0 0 1 15 ARG QD 9 no 100.0 43.3 0.646 1.492 0.846 39 37 yes 1.358 2 4 1 15 ARG QG 51 no 80.0 49.0 0.021 0.043 0.022 24 23 no 0.247 0 0 1 16 VAL QG 69 no 100.0 0.0 0.000 0.000 0.000 21 21 no 0.000 0 0 1 17 VAL QG 1 no 100.0 99.7 15.006 15.055 0.048 55 45 no 0.306 0 0 1 18 ILE QG 123 no 90.0 97.3 0.007 0.007 0.000 12 8 no 0.219 0 0 1 19 PRO QB 61 no 100.0 70.9 1.098 1.549 0.450 22 18 no 0.617 0 1 1 19 PRO QD 49 no 100.0 89.4 3.534 3.953 0.419 24 22 no 0.225 0 0 1 19 PRO QG 125 no 100.0 99.7 2.272 2.278 0.007 12 9 no 0.108 0 0 1 20 LYS QB 154 no 100.0 58.4 0.081 0.139 0.058 8 7 no 0.401 0 0 1 20 LYS QD 122 no 90.0 20.0 0.144 0.719 0.575 13 13 no 0.651 0 1 1 20 LYS QE 155 no 100.0 8.0 0.000 0.000 0.000 8 8 no 0.061 0 0 1 20 LYS QG 143 yes 100.0 100.0 2.073 2.073 0.000 10 8 no 0.039 0 0 1 21 GLU QB 148 yes 100.0 100.0 0.181 0.181 0.000 9 7 no 0.000 0 0 1 21 GLU QG 48 no 40.0 4.1 0.009 0.228 0.218 24 21 no 0.968 0 2 1 22 ILE QG 26 yes 100.0 97.8 3.067 3.135 0.068 30 22 no 0.654 0 1 1 23 ARG QB 83 no 100.0 86.0 3.104 3.608 0.504 18 14 no 0.346 0 0 1 23 ARG QD 90 no 10.0 29.7 0.058 0.197 0.138 17 15 no 0.376 0 0 1 23 ARG QG 104 no 90.0 68.5 0.236 0.345 0.109 15 14 no 0.652 0 1 1 24 ARG QB 145 no 100.0 91.5 1.125 1.229 0.104 9 6 no 0.128 0 0 1 24 ARG QD 105 no 50.0 40.6 0.557 1.372 0.815 15 15 yes 1.262 2 11 1 24 ARG QG 97 yes 100.0 97.6 2.396 2.455 0.059 16 15 no 0.175 0 0 1 26 LEU QB 76 yes 100.0 99.6 8.272 8.304 0.031 19 11 no 0.171 0 0 1 26 LEU QD 6 no 100.0 99.8 9.665 9.683 0.018 39 28 no 0.086 0 0 1 27 ARG QB 132 no 100.0 98.2 2.776 2.828 0.052 12 11 no 0.215 0 0 1 27 ARG QD 176 no 80.0 61.8 0.079 0.128 0.049 4 4 no 0.432 0 0 1 27 ARG QG 181 no 10.0 66.0 0.043 0.066 0.022 2 2 no 0.336 0 0 1 28 ILE QG 152 no 100.0 100.0 1.378 1.378 0.000 8 1 no 0.013 0 0 1 29 ARG QB 151 no 10.0 17.0 0.001 0.003 0.003 9 9 no 0.121 0 0 1 29 ARG QD 138 no 40.0 21.6 0.143 0.660 0.518 11 11 no 0.624 0 1 1 29 ARG QG 178 no 70.0 5.5 0.000 0.008 0.007 3 2 no 0.179 0 0 1 30 GLU QB 147 no 100.0 100.0 1.113 1.113 0.000 9 7 no 0.000 0 0 1 30 GLU QG 75 no 100.0 76.6 0.660 0.862 0.202 20 20 no 0.333 0 0 1 31 GLY QA 67 yes 100.0 98.7 7.305 7.398 0.094 21 17 no 0.233 0 0 1 32 ASP QB 23 yes 100.0 87.0 4.235 4.867 0.632 30 21 no 0.415 0 0 1 33 PRO QB 47 yes 100.0 98.2 6.293 6.408 0.115 24 21 no 0.444 0 0 1 33 PRO QD 30 yes 100.0 95.0 4.049 4.262 0.213 29 24 no 0.688 0 4 1 33 PRO QG 35 yes 100.0 77.7 3.921 5.045 1.124 27 26 yes 1.432 2 5 1 34 LEU QB 59 no 100.0 43.0 0.722 1.679 0.957 22 16 no 0.203 0 0 1 34 LEU QD 3 no 100.0 95.6 13.950 14.589 0.639 47 41 no 0.381 0 0 1 35 GLU QB 21 yes 100.0 83.3 2.177 2.614 0.437 31 28 no 0.276 0 0 1 35 GLU QG 171 no 100.0 75.5 0.070 0.093 0.023 4 3 no 0.415 0 0 1 36 ILE QG 106 no 100.0 92.9 0.150 0.162 0.012 14 11 no 0.302 0 0 1 37 PHE QB 34 no 100.0 77.2 0.367 0.476 0.108 28 24 no 0.252 0 0 1 38 VAL QG 2 no 100.0 99.9 33.196 33.239 0.043 49 34 no 0.147 0 0 1 39 ASP QB 15 no 100.0 93.0 10.430 11.209 0.779 35 30 no 0.720 0 7 1 40 ARG QB 164 yes 100.0 98.8 1.699 1.720 0.020 5 3 no 0.236 0 0 1 40 ARG QD 159 no 40.0 2.0 0.007 0.323 0.316 7 7 no 0.844 0 3 1 40 ARG QG 120 no 100.0 92.2 0.561 0.609 0.048 13 12 no 0.345 0 0 1 41 ASP QB 128 no 60.0 3.4 0.011 0.310 0.300 12 10 no 0.591 0 4 1 42 GLY QA 103 no 100.0 80.2 1.059 1.320 0.261 15 14 no 0.068 0 0 1 43 GLU QB 72 yes 100.0 99.3 3.251 3.275 0.024 20 16 no 0.250 0 0 1 43 GLU QG 99 no 100.0 98.3 1.496 1.522 0.025 15 11 no 0.302 0 0 1 44 VAL QG 19 no 100.0 99.9 5.522 5.530 0.008 32 27 no 0.110 0 0 1 45 ILE QG 52 yes 100.0 99.1 4.218 4.256 0.038 23 15 no 0.203 0 0 1 46 LEU QB 96 no 100.0 81.2 1.218 1.500 0.282 16 13 no 0.049 0 0 1 46 LEU QD 58 no 100.0 100.0 11.963 11.965 0.003 22 15 no 0.106 0 0 1 47 LYS QB 95 no 100.0 87.5 0.686 0.784 0.098 16 13 no 0.444 0 0 1 47 LYS QD 94 no 100.0 93.3 2.692 2.885 0.193 16 13 no 0.450 0 0 1 47 LYS QE 80 yes 90.0 33.1 0.249 0.753 0.504 19 19 no 0.591 0 5 1 48 LYS QB 22 yes 100.0 71.2 5.773 8.114 2.340 31 29 no 0.688 0 4 1 48 LYS QD 119 yes 100.0 90.5 2.939 3.249 0.310 13 12 no 0.225 0 0 1 48 LYS QE 142 no 100.0 96.1 0.795 0.827 0.032 10 8 no 0.224 0 0 1 48 LYS QG 86 yes 100.0 76.7 2.061 2.688 0.627 18 16 no 0.415 0 0 1 49 TYR QB 8 yes 100.0 74.1 5.704 7.699 1.995 39 32 no 0.348 0 0 1 50 SER QB 107 no 80.0 72.6 1.235 1.702 0.467 14 12 yes 1.240 2 2 1 51 PRO QB 118 yes 100.0 94.6 0.859 0.907 0.049 13 12 no 0.414 0 0 1 51 PRO QD 112 no 60.0 60.4 0.052 0.086 0.034 14 13 no 0.414 0 0 1 52 ILE QG 98 yes 100.0 82.0 1.112 1.357 0.245 15 10 no 0.935 0 3 1 53 SER QB 163 no 70.0 13.4 0.057 0.424 0.367 6 6 no 0.935 0 5 1 54 GLU QB 166 no 90.0 71.1 0.092 0.130 0.038 5 4 no 0.787 0 2 1 54 GLU QG 184 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0 1 55 LEU QD 161 no 100.0 99.8 6.194 6.204 0.009 6 4 no 0.156 0 0 2 2 LYS QB 135 yes 90.0 83.6 0.756 0.905 0.148 11 10 no 0.256 0 0 2 2 LYS QD 170 no 30.0 85.0 0.163 0.192 0.029 4 3 no 0.290 0 0 2 2 LYS QE 175 no 60.0 75.5 0.039 0.052 0.013 4 4 no 0.654 0 1 2 2 LYS QG 156 yes 100.0 64.0 0.298 0.465 0.167 7 5 no 0.720 0 3 2 5 GLY QA 55 yes 100.0 91.8 1.665 1.814 0.149 23 20 no 0.450 0 0 2 6 ILE QG 88 yes 100.0 37.8 0.264 0.698 0.434 17 13 no 0.450 0 0 2 7 VAL QG 5 no 100.0 99.0 19.651 19.857 0.207 39 25 no 0.141 0 0 2 8 ARG QB 56 no 80.0 50.4 0.170 0.337 0.167 23 22 no 0.545 0 2 2 8 ARG QD 18 yes 100.0 84.4 2.973 3.521 0.548 33 31 no 0.717 0 2 2 8 ARG QG 40 yes 100.0 85.9 0.676 0.786 0.111 26 26 no 0.381 0 0 2 9 ARG QB 54 yes 100.0 75.6 5.743 7.596 1.853 23 19 no 0.181 0 0 2 9 ARG QD 137 no 40.0 54.1 0.571 1.055 0.484 11 11 yes 1.340 5 8 2 9 ARG QG 32 no 100.0 73.4 3.003 4.090 1.087 29 26 no 0.115 0 0 2 10 ILE QG 37 yes 100.0 87.0 1.794 2.061 0.267 26 21 no 0.717 0 1 2 11 ASP QB 111 yes 100.0 98.5 0.557 0.566 0.009 14 13 no 0.209 0 0 2 12 ASP QB 167 yes 90.0 84.1 0.146 0.174 0.028 5 5 no 0.333 0 0 2 13 LEU QB 89 yes 100.0 99.4 0.899 0.904 0.005 17 15 no 0.137 0 0 2 13 LEU QD 25 no 100.0 100.0 8.600 8.602 0.002 30 22 no 0.091 0 0 2 14 GLY QA 17 yes 100.0 67.8 3.219 4.748 1.529 34 32 no 0.407 0 0 2 15 ARG QB 63 no 100.0 96.6 0.191 0.198 0.007 22 20 no 0.219 0 0 2 15 ARG QD 16 no 80.0 0.9 0.002 0.192 0.191 34 32 no 0.775 0 2 2 15 ARG QG 50 no 70.0 62.1 0.028 0.044 0.017 24 23 no 0.247 0 0 2 16 VAL QG 87 no 100.0 0.0 0.000 0.000 0.000 18 18 no 0.000 0 0 2 17 VAL QG 7 no 100.0 99.9 13.142 13.160 0.019 39 30 no 0.209 0 0 2 18 ILE QG 149 no 100.0 97.3 0.007 0.007 0.000 9 8 no 0.219 0 0 2 19 PRO QB 60 no 100.0 74.6 0.975 1.308 0.333 22 18 no 0.617 0 1 2 19 PRO QD 45 yes 100.0 72.8 1.109 1.523 0.414 25 23 no 0.225 0 0 2 19 PRO QG 115 yes 100.0 99.7 2.295 2.303 0.007 13 10 no 0.104 0 0 2 20 LYS QB 146 yes 100.0 98.3 0.582 0.593 0.010 9 7 no 0.297 0 0 2 20 LYS QD 114 yes 100.0 42.7 1.059 2.481 1.422 14 14 no 0.651 0 1 2 20 LYS QE 158 no 80.0 95.8 0.000 0.000 0.000 7 7 no 0.061 0 0 2 20 LYS QG 141 yes 100.0 97.3 2.361 2.428 0.067 10 8 no 0.013 0 0 2 21 GLU QB 140 yes 100.0 92.7 0.605 0.652 0.047 10 7 no 0.000 0 0 2 21 GLU QG 73 no 40.0 36.5 0.147 0.403 0.256 20 18 no 0.968 0 6 2 22 ILE QG 42 no 100.0 94.5 2.200 2.328 0.127 25 18 no 0.654 0 3 2 23 ARG QB 82 no 100.0 85.5 2.968 3.473 0.505 18 14 no 0.363 0 0 2 23 ARG QD 85 yes 100.0 89.4 1.188 1.330 0.141 18 16 no 0.376 0 0 2 23 ARG QG 110 no 90.0 66.9 0.238 0.356 0.118 14 13 no 0.718 0 1 2 24 ARG QB 139 yes 100.0 95.7 2.327 2.431 0.104 10 6 no 0.128 0 0 2 24 ARG QD 121 no 50.0 63.6 0.753 1.184 0.431 13 13 no 0.651 0 1 2 24 ARG QG 101 no 100.0 98.6 2.470 2.505 0.036 15 13 no 0.282 0 0 2 26 LEU QB 92 no 100.0 99.7 8.730 8.760 0.030 16 10 no 0.175 0 0 2 26 LEU QD 43 no 100.0 99.7 6.508 6.525 0.017 25 20 no 0.068 0 0 2 27 ARG QB 131 yes 100.0 97.3 1.908 1.961 0.052 12 11 no 0.215 0 0 2 27 ARG QD 174 no 100.0 100.0 0.038 0.038 0.000 4 4 no 0.432 0 0 2 27 ARG QG 180 yes 90.0 95.2 0.441 0.463 0.022 2 2 no 0.336 0 0 2 28 ILE QG 160 no 100.0 100.0 1.520 1.520 0.000 6 1 no 0.000 0 0 2 29 ARG QB 150 no 20.0 60.9 0.004 0.007 0.003 9 9 no 0.121 0 0 2 29 ARG QD 136 no 40.0 18.6 0.123 0.660 0.537 11 11 yes 1.138 1 3 2 29 ARG QG 179 no 70.0 11.3 0.001 0.008 0.007 3 3 no 0.179 0 0 2 30 GLU QB 134 yes 100.0 100.0 0.319 0.319 0.000 11 9 no 0.000 0 0 2 30 GLU QG 64 yes 100.0 73.9 0.562 0.761 0.198 22 22 no 0.213 0 0 2 31 GLY QA 66 no 100.0 97.2 6.584 6.776 0.192 21 16 no 0.138 0 0 2 32 ASP QB 33 no 100.0 96.9 5.519 5.693 0.174 28 19 no 0.224 0 0 2 33 PRO QB 62 no 100.0 94.3 5.381 5.704 0.323 22 19 no 0.545 0 2 2 33 PRO QD 38 no 100.0 93.5 3.093 3.307 0.214 26 24 no 0.688 0 4 2 33 PRO QG 74 no 100.0 89.9 0.977 1.087 0.110 20 19 no 0.000 0 0 2 34 LEU QB 65 yes 100.0 98.1 1.616 1.648 0.032 21 16 no 0.203 0 0 2 34 LEU QD 14 no 100.0 95.4 13.023 13.654 0.631 35 30 no 0.381 0 0 2 35 GLU QB 28 yes 100.0 88.0 0.962 1.094 0.131 30 28 no 0.170 0 0 2 35 GLU QG 169 no 100.0 21.6 0.020 0.093 0.073 4 3 no 0.415 0 0 2 36 ILE QG 100 no 90.0 88.3 0.088 0.099 0.012 15 12 no 0.302 0 0 2 37 PHE QB 27 no 100.0 73.9 0.410 0.554 0.144 30 24 no 0.252 0 0 2 38 VAL QG 12 no 100.0 99.8 31.380 31.428 0.048 36 22 no 0.300 0 0 2 39 ASP QB 13 yes 100.0 93.8 8.156 8.695 0.538 35 30 no 0.720 0 7 2 40 ARG QB 153 no 100.0 96.7 2.079 2.150 0.071 8 5 no 0.236 0 0 2 40 ARG QD 157 no 50.0 14.4 0.047 0.323 0.276 7 7 no 0.844 0 3 2 40 ARG QG 117 no 80.0 95.9 0.725 0.756 0.031 13 12 no 0.345 0 0 2 41 ASP QB 127 yes 90.0 53.1 0.339 0.639 0.300 12 10 no 0.591 0 4 2 42 GLY QA 109 yes 100.0 99.8 0.723 0.725 0.002 14 13 no 0.089 0 0 2 43 GLU QB 53 no 100.0 97.6 3.615 3.702 0.087 23 16 no 0.250 0 0 2 43 GLU QG 81 yes 100.0 98.2 1.277 1.301 0.024 18 13 no 0.260 0 0 2 44 VAL QG 29 no 100.0 99.9 5.423 5.430 0.007 29 24 no 0.126 0 0 2 45 ILE QG 71 no 100.0 98.4 3.433 3.487 0.055 20 14 no 0.203 0 0 2 46 LEU QB 116 yes 100.0 99.9 1.558 1.559 0.001 13 11 no 0.049 0 0 2 46 LEU QD 77 no 100.0 100.0 12.156 12.161 0.005 19 14 no 0.098 0 0 2 47 LYS QB 84 no 100.0 28.9 0.053 0.182 0.130 18 16 no 0.545 0 2 2 47 LYS QD 93 yes 100.0 94.9 4.775 5.029 0.254 16 12 no 0.450 0 0 2 47 LYS QE 91 no 100.0 92.8 2.384 2.567 0.184 17 17 no 0.539 0 1 2 48 LYS QB 44 no 50.0 10.9 0.029 0.268 0.238 25 23 no 0.688 0 4 2 48 LYS QD 130 yes 100.0 97.7 1.596 1.633 0.038 12 11 no 0.237 0 0 2 48 LYS QE 126 no 100.0 95.7 0.708 0.740 0.032 12 10 no 0.224 0 0 2 48 LYS QG 68 no 100.0 71.4 3.271 4.581 1.310 21 19 no 0.415 0 0 2 49 TYR QB 10 yes 100.0 95.0 2.537 2.671 0.134 37 30 no 0.316 0 0 2 50 SER QB 129 no 80.0 66.3 1.131 1.705 0.574 12 11 yes 1.528 2 2 2 51 PRO QB 102 yes 100.0 92.3 2.385 2.585 0.200 15 14 no 0.121 0 0 2 51 PRO QD 108 no 80.0 92.3 0.035 0.038 0.003 14 13 no 0.090 0 0 2 52 ILE QG 124 no 90.0 75.9 0.753 0.992 0.239 12 9 no 0.935 0 3 2 53 SER QB 162 no 50.0 75.8 0.279 0.367 0.089 6 6 no 0.935 0 5 2 54 GLU QB 173 no 90.0 74.4 0.097 0.130 0.033 4 4 no 0.787 0 2 2 54 GLU QG 183 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0 2 55 LEU QD 165 no 100.0 99.9 7.254 7.263 0.009 5 4 no 0.193 0 0 stop_ save_
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