NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614046 |
5lnf   |
34030 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_5lnf
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 179
_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 0.811
_Stereo_assign_list.Total_e_high_states 648.143
_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 3 ASP QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.040 0 0
1 8 GLU QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 ASN QB 147 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.022 0 0
1 11 ILE QG 87 no 100.0 99.5 0.564 0.567 0.003 12 0 no 0.088 0 0
1 12 LEU QB 101 no 100.0 99.7 2.316 2.324 0.008 11 7 no 0.097 0 0
1 12 LEU QD 85 no 100.0 99.7 5.055 5.071 0.016 13 7 no 0.148 0 0
1 13 PRO QB 140 no 100.0 99.4 2.816 2.831 0.016 6 1 no 0.148 0 0
1 13 PRO QD 40 no 100.0 100.0 1.593 1.594 0.001 19 10 no 0.039 0 0
1 13 PRO QG 167 no 100.0 100.0 1.769 1.769 0.000 4 1 no 0.028 0 0
1 14 ILE QG 121 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 15 MET QG 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 16 GLN QE 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 SER QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 ILE QG 86 no 100.0 99.6 0.147 0.147 0.001 12 0 no 0.060 0 0
1 19 MET QB 164 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.070 0 0
1 20 GLN QG 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 ASN QD 83 no 100.0 99.9 4.378 4.380 0.003 13 5 no 0.069 0 0
1 22 LEU QB 45 no 100.0 100.0 5.717 5.717 0.001 18 6 no 0.041 0 0
1 22 LEU QD 57 no 100.0 100.0 14.634 14.634 0.000 17 8 no 0.034 0 0
1 23 LEU QB 179 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 23 LEU QD 17 no 100.0 100.0 11.094 11.094 0.000 26 6 no 0.000 0 0
1 24 SER QB 168 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 25 LYS QB 120 no 100.0 99.9 1.333 1.334 0.001 8 0 no 0.086 0 0
1 26 ASP QB 126 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 27 VAL QG 39 no 100.0 100.0 17.506 17.511 0.004 19 7 no 0.069 0 0
1 28 LEU QB 44 no 100.0 100.0 3.621 3.621 0.000 18 6 no 0.041 0 0
1 28 LEU QD 9 no 100.0 100.0 19.908 19.913 0.005 31 9 no 0.077 0 0
1 29 TYR QB 113 no 100.0 100.0 3.969 3.969 0.000 9 7 no 0.000 0 0
1 30 PRO QB 153 no 100.0 98.6 0.638 0.647 0.009 5 1 no 0.119 0 0
1 30 PRO QD 91 no 100.0 99.9 2.292 2.294 0.002 12 4 no 0.084 0 0
1 30 PRO QG 130 no 100.0 100.0 2.599 2.599 0.000 7 2 no 0.035 0 0
1 32 LEU QB 55 no 100.0 99.8 1.281 1.284 0.003 17 5 no 0.077 0 0
1 32 LEU QD 11 no 100.0 100.0 10.379 10.381 0.002 29 10 no 0.058 0 0
1 33 LYS QB 59 no 100.0 100.0 1.463 1.463 0.000 16 3 no 0.014 0 0
1 33 LYS QD 31 no 100.0 100.0 4.725 4.726 0.001 20 5 no 0.070 0 0
1 33 LYS QE 95 no 100.0 0.0 0.000 0.000 0.000 12 10 no 0.045 0 0
1 33 LYS QG 41 no 100.0 100.0 1.408 1.408 0.000 18 4 no 0.034 0 0
1 34 GLU QB 137 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.015 0 0
1 34 GLU QG 36 no 100.0 99.5 2.758 2.771 0.013 19 4 no 0.156 0 0
1 35 ILE QG 97 no 100.0 99.8 2.699 2.703 0.004 11 0 no 0.085 0 0
1 37 GLU QB 119 no 100.0 100.0 1.265 1.265 0.000 8 0 no 0.000 0 0
1 37 GLU QG 94 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.045 0 0
1 38 LYS QB 75 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.133 0 0
1 38 LYS QD 146 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 38 LYS QG 90 no 100.0 0.0 0.000 0.010 0.010 12 4 no 0.156 0 0
1 39 TYR QB 14 no 100.0 99.8 2.830 2.835 0.005 28 12 no 0.123 0 0
1 40 PRO QB 166 no 100.0 100.0 0.519 0.519 0.000 4 1 no 0.041 0 0
1 40 PRO QD 54 no 100.0 99.6 2.300 2.309 0.009 17 5 no 0.111 0 0
1 40 PRO QG 145 no 100.0 99.3 0.708 0.714 0.005 6 2 no 0.109 0 0
1 41 GLU QG 118 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.085 0 0
1 42 TRP QB 66 no 100.0 99.5 0.319 0.321 0.002 15 4 no 0.088 0 0
1 43 LEU QB 74 no 100.0 100.0 1.008 1.008 0.000 14 4 no 0.000 0 0
1 43 LEU QD 2 no 100.0 100.0 47.197 47.204 0.007 67 26 no 0.116 0 0
1 44 GLN QB 69 no 100.0 100.0 1.280 1.280 0.000 14 1 no 0.012 0 0
1 46 HIS QB 80 no 100.0 100.0 1.874 1.874 0.000 13 3 no 0.000 0 0
1 47 ARG QB 37 no 100.0 99.9 1.518 1.519 0.001 19 5 no 0.084 0 0
1 47 ARG QD 30 no 100.0 99.7 2.667 2.674 0.007 20 4 no 0.118 0 0
1 47 ARG QG 52 no 100.0 99.9 3.067 3.069 0.002 17 1 no 0.086 0 0
1 48 GLU QB 111 no 100.0 99.6 0.753 0.757 0.003 9 0 no 0.186 0 0
1 49 SER QB 136 no 100.0 0.0 0.000 0.009 0.009 6 0 no 0.273 0 0
1 50 LEU QB 21 no 100.0 99.9 6.104 6.111 0.007 25 12 no 0.106 0 0
1 50 LEU QD 3 no 100.0 99.9 29.361 29.389 0.028 58 23 no 0.238 0 0
1 51 PRO QB 107 no 85.0 96.7 0.641 0.662 0.022 10 2 no 0.238 0 0
1 51 PRO QD 51 no 100.0 99.9 3.312 3.315 0.003 18 10 no 0.099 0 0
1 52 PRO QB 169 no 100.0 100.0 1.543 1.543 0.000 3 0 no 0.000 0 0
1 53 GLU QG 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 GLN QE 68 no 85.0 97.3 0.226 0.233 0.006 15 8 no 0.194 0 0
1 54 GLN QG 67 no 100.0 99.2 0.199 0.200 0.002 15 8 no 0.058 0 0
1 55 PHE QB 28 no 100.0 100.0 10.221 10.221 0.000 22 8 no 0.025 0 0
1 56 GLU QG 98 no 100.0 99.6 0.926 0.930 0.003 11 2 no 0.111 0 0
1 57 LYS QB 32 no 100.0 99.9 4.850 4.853 0.004 20 6 no 0.139 0 0
1 57 LYS QG 27 no 100.0 99.8 5.105 5.114 0.008 22 7 no 0.194 0 0
1 58 TYR QB 43 no 100.0 100.0 3.033 3.033 0.001 18 6 no 0.063 0 0
1 59 GLN QB 92 no 100.0 99.8 4.334 4.342 0.008 12 5 no 0.114 0 0
1 59 GLN QE 76 no 100.0 99.2 1.429 1.441 0.012 14 7 no 0.302 0 0
1 60 GLU QG 144 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.062 0 0
1 61 GLN QB 65 no 100.0 100.0 0.967 0.967 0.000 15 4 no 0.021 0 0
1 61 GLN QE 13 no 100.0 99.5 2.849 2.863 0.014 28 9 no 0.125 0 0
1 61 GLN QG 16 no 100.0 100.0 3.639 3.639 0.000 27 11 no 0.017 0 0
1 62 HIS QB 62 no 100.0 100.0 1.792 1.792 0.000 16 4 no 0.000 0 0
1 64 VAL QG 6 no 100.0 100.0 36.289 36.299 0.011 49 18 no 0.128 0 0
1 65 MET QB 71 no 100.0 99.9 2.671 2.673 0.003 14 3 no 0.106 0 0
1 65 MET QG 19 no 100.0 99.9 3.852 3.855 0.003 25 9 no 0.087 0 0
1 66 CYS QB 33 no 100.0 99.7 3.751 3.763 0.012 20 7 no 0.140 0 0
1 67 LYS QB 50 no 100.0 99.6 4.651 4.670 0.019 18 10 no 0.140 0 0
1 67 LYS QG 38 no 100.0 100.0 3.362 3.363 0.001 19 7 no 0.060 0 0
1 68 ILE QG 64 no 100.0 100.0 3.512 3.512 0.000 15 4 no 0.000 0 0
1 69 CYS QB 143 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 70 GLU QB 127 no 100.0 100.0 0.409 0.409 0.000 8 4 no 0.009 0 0
1 70 GLU QG 174 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.092 0 0
1 71 GLN QB 99 no 100.0 99.9 3.297 3.299 0.002 11 3 no 0.074 0 0
1 71 GLN QE 22 no 100.0 100.0 3.635 3.635 0.001 24 12 no 0.068 0 0
1 71 GLN QG 79 no 100.0 100.0 1.993 1.994 0.000 13 3 no 0.040 0 0
1 72 PHE QB 63 no 100.0 99.8 1.075 1.076 0.002 15 1 no 0.067 0 0
1 75 GLU QB 117 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 75 GLU QG 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.044 0 0
1 77 PRO QB 110 no 100.0 100.0 1.560 1.560 0.001 9 0 no 0.065 0 0
1 77 PRO QD 96 no 100.0 100.0 1.656 1.656 0.000 11 0 no 0.026 0 0
1 77 PRO QG 103 no 100.0 100.0 2.032 2.032 0.001 10 0 no 0.036 0 0
1 79 ASP QB 102 no 0.0 0.0 0.000 0.004 0.004 10 0 no 0.145 0 0
1 80 SER QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 81 GLU QB 123 no 100.0 99.8 1.763 1.767 0.004 8 1 no 0.092 0 0
1 81 GLU QG 88 no 100.0 98.7 0.192 0.195 0.003 12 1 no 0.078 0 0
1 84 GLN QE 35 no 100.0 99.0 2.316 2.340 0.024 19 4 no 0.232 0 0
1 84 GLN QG 61 no 100.0 99.6 2.949 2.961 0.011 16 4 no 0.152 0 0
1 85 LYS QG 29 no 90.0 98.4 0.484 0.492 0.008 21 4 no 0.263 0 0
1 87 ARG QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 89 GLU QB 134 no 100.0 100.0 0.754 0.754 0.000 6 0 no 0.000 0 0
1 89 GLU QG 24 no 100.0 99.9 5.737 5.742 0.005 23 7 no 0.263 0 0
1 90 MET QB 104 no 100.0 100.0 0.475 0.475 0.000 10 1 no 0.000 0 0
1 90 MET QG 70 no 100.0 100.0 5.234 5.235 0.001 14 3 no 0.053 0 0
1 91 VAL QG 5 no 100.0 100.0 39.647 39.651 0.003 49 12 no 0.074 0 0
1 92 LEU QB 18 no 100.0 99.8 2.570 2.574 0.004 25 5 no 0.093 0 0
1 92 LEU QD 12 no 100.0 100.0 22.199 22.202 0.003 29 14 no 0.063 0 0
1 94 LEU QB 20 no 100.0 100.0 2.402 2.403 0.001 25 10 no 0.066 0 0
1 94 LEU QD 4 no 100.0 100.0 43.833 43.837 0.004 51 20 no 0.074 0 0
1 95 MET QB 73 no 100.0 100.0 0.860 0.860 0.000 14 4 no 0.027 0 0
1 96 GLN QB 112 no 100.0 99.9 0.688 0.689 0.001 9 3 no 0.063 0 0
1 96 GLN QE 26 no 100.0 99.9 2.269 2.273 0.003 22 7 no 0.105 0 0
1 96 GLN QG 106 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 97 GLN QB 58 no 100.0 99.9 1.319 1.320 0.001 17 11 no 0.056 0 0
1 97 GLN QE 23 no 100.0 99.9 2.928 2.931 0.002 24 13 no 0.131 0 0
1 97 GLN QG 84 no 100.0 100.0 0.859 0.859 0.000 13 6 no 0.000 0 0
1 98 LEU QB 56 no 100.0 99.6 2.508 2.518 0.010 17 8 no 0.113 0 0
1 98 LEU QD 8 no 100.0 99.8 18.676 18.705 0.029 38 14 no 0.186 0 0
1 99 GLN QB 82 no 100.0 100.0 0.793 0.793 0.000 13 5 no 0.021 0 0
1 99 GLN QE 93 no 100.0 0.0 0.000 0.004 0.004 12 6 no 0.114 0 0
1 101 LEU QB 77 no 100.0 0.0 0.000 0.000 0.000 14 10 no 0.000 0 0
1 101 LEU QD 7 no 100.0 100.0 28.104 28.116 0.012 43 20 no 0.130 0 0
1 102 GLY QA 125 no 100.0 100.0 1.433 1.433 0.000 8 2 no 0.006 0 0
1 103 HIS QB 151 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.051 0 0
1 104 PRO QB 48 no 100.0 99.6 0.892 0.895 0.003 18 9 no 0.100 0 0
1 104 PRO QD 60 no 100.0 99.9 1.258 1.259 0.002 16 4 no 0.051 0 0
1 104 PRO QG 122 no 100.0 100.0 0.754 0.754 0.000 8 1 no 0.014 0 0
1 105 PRO QB 116 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 105 PRO QD 109 no 100.0 0.0 0.000 0.002 0.002 10 6 no 0.086 0 0
1 105 PRO QG 128 no 95.0 100.0 0.245 0.245 0.000 7 0 no 0.000 0 0
1 106 LYS QB 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 107 GLU QB 124 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 108 LEU QB 47 no 100.0 99.8 1.364 1.367 0.003 18 8 no 0.086 0 0
1 108 LEU QD 1 no 100.0 99.9 28.161 28.187 0.026 71 27 no 0.150 0 0
1 110 GLY QA 139 no 100.0 98.5 0.203 0.206 0.003 6 1 no 0.079 0 0
1 111 GLU QB 129 no 100.0 99.4 1.336 1.344 0.007 7 1 no 0.095 0 0
1 111 GLU QG 115 no 100.0 0.0 0.000 0.004 0.004 8 0 no 0.298 0 0
1 112 MET QG 89 no 100.0 0.0 0.000 0.029 0.029 12 2 no 0.659 0 1
1 113 PRO QB 142 no 100.0 99.9 2.975 2.976 0.002 6 2 no 0.090 0 0
1 113 PRO QD 72 no 95.0 98.9 6.135 6.203 0.069 14 4 no 0.681 0 2
1 114 PRO QB 154 no 60.0 99.7 0.197 0.197 0.001 5 2 no 0.062 0 0
1 114 PRO QD 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 GLY QA 150 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 116 LEU QD 10 no 100.0 99.3 19.537 19.666 0.128 29 6 no 0.369 0 0
1 117 ASN QB 141 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 117 ASN QD 148 no 100.0 99.6 0.994 0.998 0.004 6 3 no 0.255 0 0
1 118 PHE QB 100 no 100.0 100.0 1.961 1.962 0.001 11 5 no 0.069 0 0
1 119 ASP QB 132 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 120 LEU QB 81 no 100.0 100.0 2.039 2.040 0.001 13 4 no 0.067 0 0
1 120 LEU QD 42 no 100.0 100.0 12.305 12.307 0.002 18 6 no 0.097 0 0
1 123 LEU QB 46 no 100.0 99.6 1.517 1.523 0.006 18 7 no 0.107 0 0
1 123 LEU QD 15 no 100.0 100.0 7.177 7.181 0.003 27 10 no 0.095 0 0
1 124 ASN QB 34 no 100.0 99.6 1.866 1.873 0.007 19 2 no 0.121 0 0
1 124 ASN QD 172 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.106 0 0
1 125 LEU QB 108 no 100.0 99.8 0.595 0.596 0.001 10 5 no 0.056 0 0
1 125 LEU QD 53 no 100.0 99.9 4.829 4.832 0.002 17 5 no 0.088 0 0
1 126 SER QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.040 0 0
1 127 GLY QA 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 128 PRO QB 152 no 100.0 99.8 0.673 0.675 0.001 5 0 no 0.095 0 0
1 128 PRO QD 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.046 0 0
1 129 PRO QB 158 no 90.0 99.9 0.251 0.252 0.000 4 0 no 0.077 0 0
1 130 GLY QA 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 132 SER QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.054 0 0
1 133 GLY QA 178 no 100.0 0.0 0.000 0.002 0.002 2 2 no 0.114 0 0
1 134 GLU QG 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 135 GLN QB 149 no 100.0 0.0 0.000 0.002 0.002 6 4 no 0.068 0 0
1 135 GLN QE 49 no 100.0 99.8 3.452 3.458 0.006 18 10 no 0.114 0 0
1 136 CYS QB 78 no 100.0 99.9 0.215 0.215 0.000 13 2 no 0.048 0 0
1 137 LEU QB 105 no 100.0 97.7 0.224 0.229 0.005 10 2 no 0.118 0 0
1 137 LEU QD 25 no 100.0 99.9 6.943 6.953 0.010 23 10 no 0.112 0 0
1 138 ILE QG 114 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 139 MET QG 131 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.101 0 0
stop_
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