NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420120 |
2ee4   |
10144 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2ee4
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 268
_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 20
_Stereo_assign_list.Total_e_low_states 0.036
_Stereo_assign_list.Total_e_high_states 1255.841
_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 GLY QA 267 no 100.0 100.0 1.357 1.357 0.000 2 0 no 0.000 0 0
1 8 TRP QB 219 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 9 GLU QB 218 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.014 0 0
1 11 ASN QD 217 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.006 0 0
1 12 TYR QB 223 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.008 0 0
1 13 PHE QB 152 no 100.0 100.0 0.678 0.678 0.000 12 0 no 0.019 0 0
1 15 MET QB 232 no 100.0 0.0 0.000 0.002 0.002 6 4 no 0.127 0 0
1 15 MET QG 250 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 PRO QB 171 no 100.0 100.0 4.546 4.546 0.000 11 4 no 0.026 0 0
1 16 PRO QD 169 no 100.0 100.0 0.659 0.659 0.000 11 2 no 0.006 0 0
1 16 PRO QG 249 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.037 0 0
1 17 LEU QB 51 no 100.0 100.0 1.990 1.990 0.000 20 7 no 0.002 0 0
1 17 LEU QD 10 no 100.0 100.0 38.859 38.859 0.000 45 24 no 0.009 0 0
1 18 GLN QB 93 no 100.0 100.0 0.436 0.436 0.000 17 9 no 0.003 0 0
1 18 GLN QE 187 no 100.0 100.0 0.358 0.358 0.000 10 7 no 0.000 0 0
1 18 GLN QG 184 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.033 0 0
1 20 LEU QB 129 no 100.0 0.0 0.000 0.000 0.000 14 10 no 0.000 0 0
1 20 LEU QD 11 no 100.0 100.0 31.738 31.740 0.002 44 14 no 0.127 0 0
1 21 VAL QG 21 no 100.0 100.0 41.612 41.612 0.000 34 12 no 0.026 0 0
1 24 GLU QB 148 no 100.0 100.0 3.215 3.215 0.000 13 4 no 0.006 0 0
1 24 GLU QG 183 no 100.0 100.0 1.508 1.508 0.000 10 4 no 0.008 0 0
1 25 LYS QD 231 no 100.0 100.0 1.010 1.010 0.000 6 4 no 0.002 0 0
1 25 LYS QE 230 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.037 0 0
1 25 LYS QG 64 no 100.0 100.0 3.347 3.347 0.000 19 13 no 0.037 0 0
1 26 PRO QB 195 no 100.0 100.0 1.845 1.845 0.000 9 6 no 0.000 0 0
1 26 PRO QD 104 no 100.0 100.0 1.899 1.899 0.000 16 8 no 0.022 0 0
1 26 PRO QG 194 no 100.0 100.0 4.260 4.260 0.000 9 5 no 0.003 0 0
1 27 ILE QG 126 no 100.0 100.0 3.596 3.596 0.000 14 6 no 0.000 0 0
1 28 PRO QB 37 no 100.0 100.0 1.801 1.802 0.000 23 11 no 0.089 0 0
1 28 PRO QD 38 no 100.0 100.0 1.661 1.661 0.000 23 12 no 0.000 0 0
1 29 LEU QB 182 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.086 0 0
1 29 LEU QD 103 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.091 0 0
1 30 PHE QB 140 no 100.0 100.0 2.726 2.726 0.000 13 2 no 0.029 0 0
1 31 VAL QG 14 no 100.0 100.0 39.336 39.336 0.000 43 16 no 0.009 0 0
1 32 GLU QG 67 no 100.0 100.0 2.732 2.732 0.000 18 3 no 0.016 0 0
1 33 LYS QB 120 no 100.0 100.0 1.149 1.149 0.000 14 3 no 0.045 0 0
1 33 LYS QD 268 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 33 LYS QE 233 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.011 0 0
1 33 LYS QG 139 no 100.0 100.0 0.352 0.352 0.000 13 2 no 0.022 0 0
1 34 CYS QB 28 no 100.0 100.0 2.410 2.410 0.000 26 12 no 0.002 0 0
1 35 VAL QG 2 no 100.0 100.0 44.307 44.307 0.000 52 17 no 0.017 0 0
1 36 GLU QG 143 no 100.0 100.0 1.867 1.867 0.000 13 3 no 0.001 0 0
1 37 PHE QB 75 no 100.0 100.0 0.922 0.922 0.000 18 7 no 0.024 0 0
1 38 ILE QG 151 no 100.0 100.0 0.541 0.541 0.000 12 0 no 0.005 0 0
1 39 GLU QG 84 no 100.0 100.0 2.682 2.682 0.000 17 3 no 0.014 0 0
1 40 ASP QB 216 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.044 0 0
1 43 LEU QB 229 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 43 LEU QD 29 no 100.0 100.0 15.535 15.535 0.000 25 11 no 0.025 0 0
1 44 CYS QB 176 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 46 GLU QB 142 no 100.0 100.0 2.086 2.086 0.000 13 3 no 0.027 0 0
1 46 GLU QG 86 no 100.0 100.0 1.593 1.593 0.000 17 4 no 0.007 0 0
1 47 GLY QA 63 no 100.0 100.0 0.471 0.471 0.000 19 12 no 0.004 0 0
1 48 LEU QB 74 no 100.0 100.0 1.482 1.482 0.000 18 7 no 0.000 0 0
1 48 LEU QD 70 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.030 0 0
1 49 TYR QB 174 no 100.0 100.0 3.860 3.860 0.000 11 6 no 0.004 0 0
1 50 ARG QB 105 no 100.0 100.0 1.080 1.080 0.000 16 9 no 0.013 0 0
1 50 ARG QD 189 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.010 0 0
1 50 ARG QG 147 no 100.0 100.0 1.225 1.225 0.000 13 4 no 0.000 0 0
1 51 VAL QG 36 no 100.0 100.0 28.780 28.780 0.000 23 11 no 0.007 0 0
1 52 SER QB 248 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 53 GLY QA 228 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 54 ASN QB 227 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 54 ASN QD 226 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 55 LYS QB 201 no 100.0 99.8 0.742 0.744 0.001 8 0 no 0.168 0 0
1 55 LYS QD 247 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 57 ASP QB 95 no 100.0 100.0 3.435 3.435 0.000 16 3 no 0.006 0 0
1 58 GLN QB 112 no 100.0 100.0 1.328 1.328 0.000 15 4 no 0.040 0 0
1 58 GLN QE 90 no 70.0 99.8 0.039 0.039 0.000 17 7 no 0.040 0 0
1 58 GLN QG 39 no 100.0 100.0 0.849 0.849 0.000 22 1 no 0.021 0 0
1 59 ASP QB 94 no 100.0 100.0 1.724 1.724 0.000 16 3 no 0.024 0 0
1 60 ASN QB 73 no 100.0 100.0 4.040 4.040 0.000 18 7 no 0.018 0 0
1 60 ASN QD 122 no 100.0 100.0 1.954 1.954 0.000 14 5 no 0.005 0 0
1 61 ILE QG 178 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.001 0 0
1 62 GLN QB 134 no 100.0 100.0 2.254 2.254 0.000 13 1 no 0.000 0 0
1 62 GLN QE 266 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 GLN QG 77 no 100.0 100.0 1.324 1.324 0.000 17 0 no 0.016 0 0
1 63 LYS QB 65 no 100.0 100.0 2.376 2.376 0.000 18 2 no 0.008 0 0
1 63 LYS QG 48 no 100.0 100.0 2.531 2.531 0.000 20 2 no 0.009 0 0
1 64 GLN QE 246 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 PHE QB 133 no 100.0 100.0 0.457 0.457 0.000 13 0 no 0.025 0 0
1 66 ASP QB 47 no 100.0 100.0 1.885 1.885 0.000 20 0 no 0.016 0 0
1 67 GLN QB 205 no 100.0 100.0 1.306 1.306 0.000 8 2 no 0.006 0 0
1 67 GLN QE 193 no 100.0 100.0 4.294 4.294 0.000 9 2 no 0.001 0 0
1 67 GLN QG 209 no 100.0 100.0 3.149 3.149 0.000 7 0 no 0.026 0 0
1 68 ASP QB 132 no 100.0 100.0 2.528 2.528 0.000 13 0 no 0.002 0 0
1 69 HIS QB 265 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 ASN QB 210 no 100.0 100.0 0.693 0.693 0.000 7 2 no 0.013 0 0
1 70 ASN QD 222 no 100.0 100.0 0.183 0.183 0.000 6 2 no 0.002 0 0
1 71 ILE QG 44 no 100.0 100.0 2.509 2.509 0.000 21 5 no 0.012 0 0
1 72 ASN QB 97 no 100.0 100.0 1.475 1.475 0.000 16 5 no 0.020 0 0
1 72 ASN QD 117 no 100.0 100.0 0.742 0.742 0.000 15 8 no 0.000 0 0
1 73 LEU QB 245 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 LEU QD 7 no 100.0 100.0 77.226 77.226 0.000 47 14 no 0.015 0 0
1 74 VAL QG 88 no 100.0 100.0 7.762 7.762 0.000 17 5 no 0.011 0 0
1 75 SER QB 127 no 100.0 100.0 0.839 0.840 0.000 14 7 no 0.010 0 0
1 76 MET QB 114 no 100.0 100.0 0.466 0.466 0.000 15 6 no 0.001 0 0
1 76 MET QG 125 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.001 0 0
1 78 VAL QG 3 no 100.0 100.0 21.515 21.515 0.000 51 16 no 0.011 0 0
1 80 VAL QG 155 no 95.0 100.0 0.491 0.491 0.000 12 2 no 0.000 0 0
1 81 ASN QB 186 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 81 ASN QD 162 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.007 0 0
1 83 VAL QG 20 no 100.0 100.0 32.808 32.808 0.000 36 8 no 0.021 0 0
1 85 GLY QA 76 no 100.0 100.0 4.103 4.103 0.000 18 9 no 0.000 0 0
1 87 LEU QB 45 no 100.0 100.0 2.209 2.209 0.000 21 8 no 0.002 0 0
1 87 LEU QD 6 no 100.0 100.0 43.925 43.925 0.000 48 15 no 0.024 0 0
1 88 LYS QD 83 no 100.0 100.0 1.199 1.199 0.000 17 3 no 0.014 0 0
1 88 LYS QE 61 no 100.0 100.0 2.519 2.519 0.000 19 8 no 0.003 0 0
1 88 LYS QG 43 no 100.0 100.0 0.614 0.614 0.000 21 5 no 0.003 0 0
1 90 PHE QB 82 no 100.0 100.0 2.166 2.166 0.000 17 3 no 0.000 0 0
1 91 PHE QB 168 no 100.0 100.0 0.706 0.706 0.000 11 2 no 0.000 0 0
1 94 LEU QB 128 no 100.0 100.0 0.454 0.454 0.000 14 8 no 0.000 0 0
1 94 LEU QD 23 no 100.0 100.0 12.369 12.369 0.000 31 11 no 0.004 0 0
1 95 PRO QB 264 no 100.0 100.0 0.375 0.375 0.000 2 0 no 0.021 0 0
1 95 PRO QD 60 no 100.0 100.0 1.039 1.039 0.000 19 8 no 0.000 0 0
1 95 PRO QG 177 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.005 0 0
1 96 ASP QB 253 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.057 0 0
1 97 PRO QB 263 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 PRO QD 167 no 100.0 99.9 0.735 0.735 0.001 11 2 no 0.104 0 0
1 97 PRO QG 163 no 100.0 100.0 2.104 2.104 0.000 11 0 no 0.080 0 0
1 98 LEU QB 92 no 100.0 100.0 0.644 0.644 0.000 17 8 no 0.000 0 0
1 98 LEU QD 12 no 100.0 100.0 37.930 37.930 0.000 44 17 no 0.004 0 0
1 99 ILE QG 111 no 100.0 100.0 1.810 1.810 0.000 15 4 no 0.000 0 0
1 100 PRO QB 202 no 100.0 100.0 0.579 0.579 0.000 8 1 no 0.000 0 0
1 100 PRO QD 59 no 100.0 100.0 2.166 2.166 0.000 19 7 no 0.005 0 0
1 100 PRO QG 215 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 101 TYR QB 262 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 LEU QB 146 no 100.0 100.0 1.438 1.438 0.000 13 4 no 0.003 0 0
1 103 LEU QD 13 no 100.0 100.0 25.878 25.878 0.000 44 18 no 0.008 0 0
1 104 HIS QB 107 no 100.0 100.0 1.475 1.475 0.000 16 10 no 0.010 0 0
1 105 PRO QB 236 no 100.0 100.0 2.652 2.652 0.000 5 1 no 0.038 0 0
1 105 PRO QD 113 no 100.0 100.0 1.604 1.604 0.000 15 5 no 0.020 0 0
1 105 PRO QG 181 no 100.0 100.0 1.618 1.618 0.000 10 4 no 0.000 0 0
1 107 LEU QB 102 no 100.0 100.0 3.078 3.078 0.000 16 6 no 0.000 0 0
1 107 LEU QD 26 no 100.0 100.0 35.174 35.174 0.000 27 4 no 0.002 0 0
1 108 LEU QB 124 no 100.0 100.0 1.262 1.262 0.000 14 6 no 0.015 0 0
1 108 LEU QD 17 no 100.0 100.0 26.739 26.740 0.000 39 12 no 0.016 0 0
1 109 GLU QG 119 no 100.0 100.0 0.911 0.911 0.000 14 2 no 0.009 0 0
1 112 LYS QB 56 no 100.0 100.0 2.277 2.277 0.000 19 4 no 0.007 0 0
1 112 LYS QD 221 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.002 0 0
1 112 LYS QE 180 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.014 0 0
1 112 LYS QG 138 no 100.0 100.0 0.829 0.829 0.000 13 2 no 0.000 0 0
1 113 ILE QG 200 no 100.0 100.0 2.661 2.661 0.000 8 0 no 0.016 0 0
1 114 PRO QB 256 no 100.0 100.0 0.296 0.296 0.000 3 0 no 0.000 0 0
1 114 PRO QD 214 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 114 PRO QG 208 no 100.0 100.0 1.899 1.899 0.000 7 0 no 0.000 0 0
1 116 LYS QB 145 no 100.0 100.0 0.465 0.465 0.000 13 4 no 0.012 0 0
1 116 LYS QD 204 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.013 0 0
1 116 LYS QE 130 no 100.0 0.0 0.000 0.000 0.000 14 12 no 0.013 0 0
1 116 LYS QG 161 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.029 0 0
1 118 GLU QG 131 no 100.0 99.9 0.989 0.990 0.001 13 0 no 0.088 0 0
1 119 ARG QD 96 no 100.0 100.0 1.203 1.203 0.000 16 4 no 0.028 0 0
1 119 ARG QG 118 no 100.0 100.0 0.520 0.520 0.000 14 0 no 0.011 0 0
1 120 LEU QB 34 no 100.0 100.0 4.328 4.328 0.000 23 5 no 0.024 0 0
1 120 LEU QD 4 no 100.0 100.0 26.675 26.676 0.000 49 21 no 0.056 0 0
1 121 HIS QB 150 no 100.0 100.0 3.742 3.742 0.000 12 0 no 0.002 0 0
1 123 LEU QB 42 no 100.0 100.0 1.614 1.614 0.000 21 4 no 0.000 0 0
1 123 LEU QD 16 no 100.0 100.0 28.294 28.294 0.000 39 9 no 0.015 0 0
1 124 LYS QB 80 no 100.0 100.0 0.402 0.402 0.000 17 2 no 0.001 0 0
1 124 LYS QD 154 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.013 0 0
1 124 LYS QG 110 no 100.0 100.0 2.174 2.174 0.000 15 2 no 0.004 0 0
1 125 GLU QB 192 no 100.0 100.0 2.850 2.850 0.000 9 2 no 0.000 0 0
1 126 ILE QG 87 no 100.0 100.0 7.169 7.169 0.000 17 5 no 0.007 0 0
1 127 VAL QG 18 no 100.0 100.0 28.444 28.444 0.000 38 5 no 0.019 0 0
1 128 LYS QB 199 no 100.0 100.0 0.358 0.358 0.000 8 0 no 0.007 0 0
1 128 LYS QG 141 no 100.0 100.0 2.445 2.445 0.000 13 3 no 0.000 0 0
1 129 LYS QB 62 no 100.0 100.0 1.059 1.059 0.000 19 9 no 0.048 0 0
1 129 LYS QD 91 no 100.0 100.0 0.455 0.455 0.000 17 8 no 0.005 0 0
1 129 LYS QG 81 no 100.0 100.0 4.955 4.955 0.000 17 3 no 0.012 0 0
1 130 PHE QB 101 no 100.0 100.0 4.760 4.760 0.000 16 6 no 0.000 0 0
1 131 HIS QB 72 no 100.0 100.0 1.542 1.542 0.000 18 7 no 0.000 0 0
1 132 PRO QB 255 no 100.0 100.0 0.344 0.344 0.000 3 0 no 0.000 0 0
1 132 PRO QD 144 no 100.0 100.0 1.846 1.846 0.000 13 4 no 0.000 0 0
1 133 VAL QG 24 no 100.0 100.0 17.642 17.642 0.000 31 13 no 0.006 0 0
1 134 ASN QB 33 no 100.0 100.0 2.745 2.745 0.000 24 11 no 0.005 0 0
1 134 ASN QD 158 no 100.0 100.0 1.126 1.126 0.000 12 5 no 0.000 0 0
1 135 TYR QB 166 no 100.0 100.0 3.007 3.007 0.000 11 2 no 0.000 0 0
1 136 ASP QB 54 no 100.0 100.0 3.007 3.007 0.000 20 10 no 0.002 0 0
1 137 VAL QG 8 no 100.0 100.0 38.362 38.362 0.000 47 16 no 0.027 0 0
1 138 PHE QB 85 no 100.0 100.0 1.013 1.013 0.000 17 4 no 0.004 0 0
1 139 ARG QB 207 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 139 ARG QD 100 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.005 0 0
1 139 ARG QG 170 no 100.0 100.0 0.976 0.976 0.000 11 4 no 0.002 0 0
1 141 VAL QG 19 no 100.0 100.0 35.148 35.148 0.000 38 11 no 0.027 0 0
1 142 ILE QG 109 no 100.0 100.0 2.126 2.126 0.000 15 1 no 0.000 0 0
1 144 HIS QB 157 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.007 0 0
1 145 LEU QB 52 no 100.0 100.0 2.453 2.453 0.000 20 9 no 0.006 0 0
1 145 LEU QD 1 no 100.0 100.0 41.528 41.528 0.000 56 25 no 0.012 0 0
1 146 ASN QB 49 no 100.0 100.0 2.961 2.961 0.000 20 4 no 0.003 0 0
1 146 ASN QD 40 no 100.0 100.0 2.057 2.057 0.000 22 5 no 0.014 0 0
1 147 ARG QB 116 no 100.0 100.0 0.414 0.414 0.000 15 8 no 0.000 0 0
1 147 ARG QD 58 no 100.0 100.0 1.286 1.286 0.000 19 6 no 0.003 0 0
1 147 ARG QG 89 no 100.0 100.0 1.065 1.066 0.001 17 7 no 0.067 0 0
1 148 VAL QG 25 no 100.0 100.0 35.491 35.491 0.000 29 10 no 0.008 0 0
1 149 SER QB 165 no 100.0 100.0 3.305 3.305 0.000 11 2 no 0.014 0 0
1 150 GLN QB 121 no 100.0 100.0 1.295 1.295 0.000 14 5 no 0.006 0 0
1 150 GLN QE 160 no 100.0 100.0 4.195 4.196 0.000 12 6 no 0.026 0 0
1 150 GLN QG 198 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 151 GLN QB 32 no 100.0 100.0 4.324 4.324 0.000 24 8 no 0.050 0 0
1 151 GLN QE 185 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 152 HIS QB 78 no 100.0 100.0 3.489 3.489 0.000 17 1 no 0.011 0 0
1 153 LYS QB 175 no 100.0 100.0 1.420 1.420 0.000 10 0 no 0.060 0 0
1 153 LYS QD 197 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.209 0 0
1 153 LYS QG 244 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.020 0 0
1 154 ILE QG 191 no 100.0 100.0 0.808 0.808 0.000 9 0 no 0.018 0 0
1 155 ASN QB 66 no 100.0 100.0 3.465 3.465 0.000 18 3 no 0.000 0 0
1 155 ASN QD 71 no 100.0 100.0 0.825 0.825 0.000 18 6 no 0.000 0 0
1 156 LEU QB 225 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 156 LEU QD 35 no 100.0 100.0 16.834 16.834 0.000 23 9 no 0.000 0 0
1 157 MET QB 173 no 100.0 100.0 0.691 0.691 0.000 11 6 no 0.000 0 0
1 157 MET QG 243 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 160 ASP QB 213 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.091 0 0
1 161 ASN QB 69 no 100.0 100.0 2.123 2.123 0.000 18 4 no 0.002 0 0
1 161 ASN QD 137 no 100.0 100.0 0.814 0.814 0.000 13 2 no 0.004 0 0
1 162 LEU QB 46 no 100.0 100.0 2.777 2.777 0.000 21 9 no 0.001 0 0
1 162 LEU QD 15 no 100.0 100.0 36.514 36.514 0.000 42 17 no 0.006 0 0
1 163 SER QB 50 no 100.0 0.0 0.000 0.000 0.000 20 6 no 0.032 0 0
1 164 ILE QG 68 no 100.0 100.0 2.414 2.414 0.000 18 4 no 0.014 0 0
1 165 CYS QB 57 no 100.0 99.6 1.334 1.339 0.005 19 5 no 0.175 0 0
1 166 PHE QB 53 no 100.0 100.0 2.478 2.478 0.000 20 10 no 0.015 0 0
1 167 TRP QB 172 no 100.0 100.0 0.861 0.861 0.000 11 6 no 0.019 0 0
1 168 PRO QB 242 no 100.0 100.0 2.450 2.450 0.000 4 0 no 0.000 0 0
1 168 PRO QD 164 no 100.0 100.0 0.964 0.964 0.000 11 2 no 0.000 0 0
1 168 PRO QG 261 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 170 LEU QB 99 no 100.0 100.0 1.741 1.741 0.000 16 6 no 0.000 0 0
1 170 LEU QD 9 no 100.0 100.0 37.198 37.200 0.002 47 20 no 0.074 0 0
1 171 MET QG 212 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.104 0 0
1 172 ARG QG 260 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 173 PRO QB 259 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.057 0 0
1 173 PRO QD 190 no 100.0 100.0 0.797 0.797 0.000 9 0 no 0.056 0 0
1 174 ASP QB 241 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 175 PHE QB 240 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.035 0 0
1 176 GLU QB 258 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.062 0 0
1 176 GLU QG 239 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.053 0 0
1 177 ASN QB 206 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.049 0 0
1 177 ASN QD 254 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.049 0 0
1 179 GLU QB 238 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.024 0 0
1 181 LEU QB 252 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 181 LEU QD 136 no 100.0 99.9 2.163 2.166 0.003 13 2 no 0.150 0 0
1 186 ILE QG 220 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.116 0 0
1 188 GLN QB 237 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 188 GLN QE 251 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 188 GLN QG 153 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.003 0 0
1 190 VAL QG 55 no 100.0 100.0 14.553 14.553 0.000 19 3 no 0.002 0 0
1 191 VAL QG 5 no 100.0 100.0 30.862 30.862 0.000 48 13 no 0.017 0 0
1 192 GLU QB 179 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 194 PHE QB 149 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 195 ILE QG 98 no 100.0 100.0 0.820 0.820 0.000 16 6 no 0.000 0 0
1 196 GLN QB 79 no 100.0 100.0 1.254 1.254 0.000 17 2 no 0.027 0 0
1 196 GLN QE 188 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.017 0 0
1 196 GLN QG 31 no 100.0 100.0 1.246 1.246 0.000 24 6 no 0.028 0 0
1 197 GLN QB 30 no 100.0 100.0 2.906 2.906 0.000 24 4 no 0.006 0 0
1 197 GLN QE 106 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.028 0 0
1 197 GLN QG 224 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.004 0 0
1 198 CYS QB 41 no 100.0 100.0 0.800 0.801 0.000 22 7 no 0.035 0 0
1 199 GLN QB 27 no 100.0 100.0 0.812 0.812 0.000 27 10 no 0.008 0 0
1 199 GLN QE 203 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 201 PHE QB 108 no 100.0 100.0 0.632 0.632 0.000 15 0 no 0.000 0 0
1 202 PHE QB 123 no 100.0 100.0 3.064 3.064 0.000 14 6 no 0.020 0 0
1 203 TYR QB 156 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 204 ASN QB 211 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 204 ASN QD 257 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 205 GLY QA 115 no 100.0 100.0 1.344 1.344 0.000 15 7 no 0.019 0 0
1 206 GLU QB 235 no 100.0 100.0 0.624 0.624 0.000 5 1 no 0.008 0 0
1 206 GLU QG 159 no 100.0 100.0 1.733 1.733 0.000 12 6 no 0.009 0 0
1 207 ILE QG 135 no 100.0 100.0 1.535 1.535 0.000 13 2 no 0.008 0 0
1 208 VAL QG 22 no 100.0 100.0 25.851 25.851 0.000 33 12 no 0.028 0 0
1 209 GLU QB 234 no 100.0 100.0 1.568 1.568 0.000 5 1 no 0.000 0 0
1 209 GLU QG 196 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.141 0 0
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