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 |
|
|
568444 |
2m0j   |
17771 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2m0j
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 177
_Stereo_assign_list.Swap_count 8
_Stereo_assign_list.Swap_percentage 4.5
_Stereo_assign_list.Deassign_count 5
_Stereo_assign_list.Deassign_percentage 2.8
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 51.504
_Stereo_assign_list.Total_e_high_states 732.395
_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 GLN QB 141 no 100.0 100.0 0.533 0.533 0.000 3 0 no 0.000 0 0
1 3 GLN QG 140 no 5.0 99.9 0.004 0.004 0.000 3 0 no 0.003 0 0
1 4 LEU QB 8 no 100.0 99.9 2.290 2.293 0.002 21 7 no 0.070 0 0
1 4 LEU QD 4 no 100.0 99.9 6.823 6.829 0.006 23 10 no 0.095 0 0
1 7 GLU QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 GLN QB 16 no 100.0 99.9 2.083 2.085 0.002 16 6 no 0.075 0 0
1 8 GLN QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 ILE QG 53 no 100.0 100.0 1.551 1.551 0.000 9 1 no 0.000 0 0
1 11 GLU QB 139 no 100.0 100.0 1.756 1.756 0.000 3 0 no 0.004 0 0
1 12 PHE QB 24 no 100.0 100.0 0.989 0.989 0.000 14 7 no 0.008 0 0
1 12 PHE QD 85 no 100.0 99.1 12.416 12.534 0.119 7 6 no 0.007 0 0
1 12 PHE QE 131 no 100.0 99.0 14.218 14.366 0.149 4 2 no 0.000 0 0
1 13 LYS QB 65 no 100.0 100.0 1.270 1.270 0.000 8 2 no 0.002 0 0
1 13 LYS QD 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 LYS QE 130 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 13 LYS QG 74 no 100.0 100.0 0.893 0.893 0.000 7 0 no 0.012 0 0
1 14 GLU QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 PHE QB 35 no 100.0 99.9 3.322 3.325 0.004 11 2 no 0.052 0 0
1 16 PHE QD 79 yes 95.0 95.4 9.732 10.196 0.464 7 2 yes 1.725 4 5
1 16 PHE QE 103 yes 95.0 97.0 9.065 9.346 0.281 6 2 yes 1.885 1 2
1 17 SER QB 125 no 100.0 100.0 0.526 0.526 0.000 4 1 no 0.000 0 0
1 18 LEU QB 57 no 100.0 100.0 3.344 3.344 0.000 9 3 no 0.000 0 0
1 18 LEU QD 47 no 100.0 100.0 3.411 3.411 0.000 10 2 no 0.000 0 0
1 19 PHE QB 63 no 100.0 99.9 2.626 2.629 0.003 8 1 no 0.106 0 0
1 19 PHE QD 78 yes 100.0 99.6 21.227 21.302 0.075 7 2 no 0.286 0 0
1 19 PHE QE 49 yes 100.0 99.5 25.399 25.537 0.138 10 5 no 0.324 0 0
1 20 ASP QB 13 no 100.0 99.8 1.267 1.269 0.002 16 0 no 0.090 0 0
1 21 LYS QB 97 no 100.0 100.0 2.214 2.214 0.000 6 1 no 0.000 0 0
1 21 LYS QE 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 21 LYS QG 134 no 100.0 0.0 0.000 0.003 0.003 4 4 no 0.080 0 0
1 22 ASP QB 112 no 100.0 99.5 1.277 1.283 0.006 5 1 no 0.090 0 0
1 23 GLY QA 138 no 100.0 100.0 1.056 1.056 0.000 3 0 no 0.000 0 0
1 24 ASP QB 123 no 100.0 96.8 0.106 0.110 0.004 4 0 no 0.110 0 0
1 25 GLY QA 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 ILE QG 96 no 100.0 100.0 3.559 3.560 0.001 6 1 no 0.046 0 0
1 30 LYS QB 122 no 100.0 100.0 0.761 0.761 0.000 4 0 no 0.003 0 0
1 30 LYS QD 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 GLU QB 43 no 100.0 100.0 1.339 1.339 0.000 10 0 no 0.006 0 0
1 31 GLU QG 133 no 100.0 0.0 0.000 0.003 0.003 4 4 no 0.080 0 0
1 32 LEU QB 121 no 100.0 98.3 0.096 0.097 0.002 4 0 no 0.051 0 0
1 32 LEU QD 3 no 100.0 92.0 22.814 24.796 1.982 25 8 no 0.147 0 0
1 33 GLY QA 69 no 100.0 100.0 1.444 1.444 0.000 8 4 no 0.035 0 0
1 35 VAL QG 10 no 100.0 38.0 8.647 22.745 14.098 19 5 no 0.324 0 0
1 36 MET QB 106 no 100.0 100.0 2.112 2.112 0.000 6 3 no 0.007 0 0
1 36 MET QG 82 no 100.0 99.9 4.957 4.960 0.004 7 3 no 0.065 0 0
1 37 ARG QD 73 no 100.0 100.0 1.946 1.946 0.000 7 0 no 0.002 0 0
1 37 ARG QG 45 no 100.0 100.0 7.749 7.749 0.001 10 1 no 0.029 0 0
1 38 SER QB 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 39 LEU QB 95 no 100.0 100.0 1.330 1.330 0.000 6 1 no 0.000 0 0
1 39 LEU QD 177 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 40 GLY QA 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 41 GLN QG 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 ASN QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 PRO QD 26 no 100.0 100.0 1.135 1.135 0.000 13 3 no 0.008 0 0
1 43 PRO QG 170 no 100.0 100.0 0.974 0.974 0.000 2 1 no 0.000 0 0
1 45 GLU QB 124 no 100.0 100.0 0.797 0.797 0.000 4 1 no 0.000 0 0
1 47 GLU QB 108 no 100.0 100.0 1.045 1.045 0.000 5 0 no 0.022 0 0
1 48 LEU QB 15 no 100.0 100.0 2.919 2.919 0.000 16 5 no 0.013 0 0
1 48 LEU QD 1 no 100.0 100.0 12.520 12.520 0.000 34 14 no 0.035 0 0
1 49 GLN QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 GLN QG 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.054 0 0
1 50 ASP QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 MET QB 176 no 100.0 100.0 0.000 0.000 0.000 1 1 no 0.009 0 0
1 52 ILE QG 62 no 100.0 100.0 0.319 0.319 0.000 8 1 no 0.025 0 0
1 54 GLU QB 64 no 100.0 100.0 2.655 2.656 0.001 8 2 no 0.041 0 0
1 54 GLU QG 34 no 100.0 100.0 3.220 3.221 0.001 11 2 no 0.041 0 0
1 55 VAL QG 21 no 100.0 57.9 0.786 1.358 0.572 14 3 yes 0.729 0 20
1 56 ASP QB 25 no 100.0 99.8 1.877 1.880 0.003 13 1 no 0.103 0 0
1 58 ASP QB 61 no 100.0 99.9 2.253 2.256 0.003 8 1 no 0.053 0 0
1 59 GLY QA 76 no 100.0 99.8 1.267 1.270 0.002 7 1 no 0.044 0 0
1 61 GLY QA 72 no 100.0 84.9 0.340 0.401 0.060 7 0 no 0.406 0 0
1 63 ILE QG 30 no 100.0 100.0 1.313 1.313 0.000 12 4 no 0.026 0 0
1 64 ASP QB 93 no 100.0 100.0 1.049 1.049 0.000 6 0 no 0.009 0 0
1 66 PRO QB 175 no 20.0 100.0 0.003 0.003 0.000 1 0 no 0.000 0 0
1 66 PRO QD 137 no 100.0 100.0 0.001 0.001 0.000 3 0 no 0.061 0 0
1 67 GLU QB 71 no 100.0 97.6 0.149 0.153 0.004 7 0 no 0.116 0 0
1 67 GLU QG 52 no 100.0 97.6 0.887 0.909 0.022 9 0 no 0.302 0 0
1 68 PHE QB 18 no 100.0 87.6 1.814 2.071 0.257 15 5 no 0.633 0 8
1 68 PHE QD 19 no 100.0 92.2 30.301 32.865 2.564 15 8 yes 1.383 1 1
1 68 PHE QE 48 no 100.0 100.0 21.363 21.363 0.000 10 5 no 0.017 0 0
1 69 LEU QB 56 no 100.0 100.0 1.001 1.001 0.000 9 3 no 0.049 0 0
1 69 LEU QD 9 no 100.0 99.9 8.629 8.636 0.006 20 12 no 0.132 0 0
1 71 MET QB 68 no 100.0 100.0 2.636 2.636 0.000 8 4 no 0.028 0 0
1 72 MET QB 39 no 100.0 100.0 0.992 0.992 0.000 11 4 no 0.009 0 0
1 74 ARG QB 156 no 100.0 100.0 1.584 1.584 0.000 2 0 no 0.000 0 0
1 74 ARG QD 92 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 74 ARG QG 119 no 100.0 100.0 1.350 1.350 0.000 4 0 no 0.000 0 0
1 75 LYS QB 91 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 75 LYS QG 81 no 100.0 100.0 0.336 0.336 0.000 7 3 no 0.000 0 0
1 76 MET QB 37 no 100.0 99.9 0.687 0.688 0.000 11 3 no 0.026 0 0
1 77 LYS QB 94 no 100.0 100.0 4.381 4.382 0.000 6 1 no 0.025 0 0
1 77 LYS QE 55 no 100.0 100.0 0.756 0.756 0.000 9 3 no 0.001 0 0
1 77 LYS QG 111 no 100.0 100.0 2.881 2.881 0.000 5 1 no 0.007 0 0
1 80 ASP QB 42 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.003 0 0
1 81 SER QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 82 GLU QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 ILE QG 90 no 10.0 43.4 0.001 0.003 0.001 6 0 no 0.050 0 0
1 86 ARG QB 102 no 100.0 100.0 4.057 4.059 0.002 6 2 no 0.051 0 0
1 86 ARG QG 129 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.002 0 0
1 89 PHE QB 29 no 100.0 100.0 3.700 3.700 0.000 12 4 no 0.038 0 0
1 89 PHE QD 101 no 100.0 100.0 11.074 11.076 0.002 6 2 no 0.047 0 0
1 89 PHE QE 28 no 100.0 99.0 51.073 51.570 0.497 12 4 no 0.043 0 0
1 90 ARG QB 153 no 40.0 85.3 0.020 0.023 0.003 2 0 no 0.103 0 0
1 90 ARG QD 152 no 35.0 100.0 0.068 0.068 0.000 2 0 no 0.006 0 0
1 91 VAL QG 41 no 75.0 36.8 0.017 0.046 0.029 10 0 no 0.274 0 0
1 92 PHE QB 22 no 100.0 99.7 0.390 0.391 0.001 14 4 no 0.042 0 0
1 92 PHE QD 151 no 100.0 100.0 7.239 7.239 0.000 2 0 no 0.010 0 0
1 92 PHE QE 174 no 100.0 100.0 1.618 1.618 0.000 1 0 no 0.000 0 0
1 93 ASP QB 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 94 LYS QB 36 no 100.0 100.0 1.180 1.180 0.000 11 3 no 0.000 0 0
1 94 LYS QD 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 LYS QE 128 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.007 0 0
1 94 LYS QG 60 no 100.0 100.0 2.518 2.518 0.000 8 1 no 0.000 0 0
1 95 ASP QB 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 98 GLY QA 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 TYR QB 40 no 100.0 95.7 3.207 3.350 0.144 11 5 no 0.041 0 0
1 99 TYR QD 105 yes 100.0 100.0 7.910 7.910 0.000 6 3 no 0.011 0 0
1 99 TYR QE 50 yes 100.0 100.0 29.105 29.107 0.002 10 6 no 0.063 0 0
1 100 ILE QG 23 no 100.0 100.0 2.287 2.288 0.001 14 5 no 0.042 0 0
1 101 SER QB 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 104 GLU QB 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 LEU QB 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 105 LEU QD 5 no 100.0 95.4 4.896 5.133 0.237 22 4 no 0.434 0 0
1 106 ARG QB 83 no 100.0 99.1 1.471 1.485 0.014 7 4 no 0.137 0 0
1 106 ARG QD 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.026 0 0
1 106 ARG QG 75 no 100.0 100.0 5.209 5.209 0.000 7 1 no 0.019 0 0
1 107 HIS QB 59 no 100.0 100.0 0.489 0.489 0.000 8 0 no 0.005 0 0
1 108 VAL QG 136 no 100.0 99.2 0.802 0.809 0.007 3 0 no 0.077 0 0
1 109 MET QG 11 no 100.0 100.0 3.026 3.026 0.000 18 4 no 0.026 0 0
1 111 ASN QB 14 no 100.0 100.0 3.619 3.619 0.000 16 3 no 0.009 0 0
1 112 LEU QB 80 no 100.0 100.0 1.044 1.044 0.000 7 3 no 0.000 0 0
1 112 LEU QD 38 no 100.0 80.4 0.623 0.774 0.151 11 4 no 0.366 0 0
1 113 GLY QA 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 114 GLU QB 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 114 GLU QG 89 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
1 115 LYS QE 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 115 LYS QG 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 116 LEU QB 66 no 100.0 100.0 2.330 2.330 0.000 8 3 no 0.016 0 0
1 116 LEU QD 12 no 100.0 98.0 11.962 12.210 0.248 18 7 yes 0.568 0 13
1 118 ASP QB 144 no 30.0 99.8 0.118 0.118 0.000 2 0 no 0.030 0 0
1 119 GLU QB 173 no 100.0 100.0 0.818 0.818 0.000 1 0 no 0.000 0 0
1 120 GLU QB 107 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 120 GLU QG 127 no 100.0 0.0 0.000 0.117 0.117 4 2 no 0.569 0 6
1 121 VAL QG 2 no 100.0 95.4 13.284 13.928 0.644 33 10 no 0.419 0 0
1 122 ASP QB 46 no 100.0 100.0 0.737 0.737 0.000 10 2 no 0.006 0 0
1 123 GLU QB 100 no 100.0 99.9 0.136 0.136 0.000 6 2 no 0.011 0 0
1 124 MET QB 32 no 100.0 100.0 1.441 1.441 0.000 11 1 no 0.012 0 0
1 124 MET QG 88 no 100.0 100.0 0.003 0.003 0.000 6 0 no 0.090 0 0
1 125 ILE QG 44 no 100.0 100.0 0.054 0.054 0.000 10 1 no 0.000 0 0
1 126 ARG QB 172 no 100.0 100.0 0.744 0.744 0.000 1 0 no 0.000 0 0
1 126 ARG QD 110 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 126 ARG QG 54 no 100.0 99.8 1.212 1.215 0.003 9 2 no 0.053 0 0
1 127 GLU QB 99 no 100.0 100.0 0.699 0.699 0.000 6 2 no 0.000 0 0
1 129 ASP QB 31 no 100.0 100.0 0.171 0.171 0.000 11 0 no 0.021 0 0
1 130 ILE QG 20 no 100.0 99.2 3.028 3.051 0.023 14 3 no 0.121 0 0
1 131 ASP QB 70 no 100.0 99.5 2.212 2.223 0.012 7 0 no 0.156 0 0
1 132 GLY QA 87 no 100.0 99.9 0.560 0.561 0.001 6 0 no 0.038 0 0
1 133 ASP QB 58 no 100.0 99.6 1.274 1.279 0.005 9 4 no 0.147 0 0
1 134 GLY QA 98 no 100.0 100.0 0.856 0.856 0.000 6 2 no 0.002 0 0
1 135 GLN QB 17 no 100.0 74.0 11.618 15.702 4.084 15 5 no 0.024 0 0
1 135 GLN QG 84 no 100.0 100.0 2.495 2.496 0.000 7 5 no 0.025 0 0
1 136 VAL QG 6 no 100.0 99.4 5.925 5.958 0.033 21 1 no 0.315 0 0
1 137 ASN QB 67 no 100.0 94.7 1.535 1.620 0.086 8 4 no 0.063 0 0
1 138 TYR QD 27 no 100.0 86.6 68.706 79.301 10.595 13 9 no 0.043 0 0
1 138 TYR QE 51 no 100.0 81.9 60.050 73.304 13.255 10 7 no 0.212 0 0
1 139 GLU QB 109 no 100.0 100.0 1.414 1.414 0.000 5 1 no 0.019 0 0
1 139 GLU QG 104 no 100.0 100.0 0.755 0.755 0.000 6 3 no 0.000 0 0
1 140 GLU QB 33 no 100.0 99.6 1.453 1.459 0.006 11 2 no 0.108 0 0
1 140 GLU QG 126 no 100.0 0.0 0.000 0.005 0.005 4 2 no 0.093 0 0
1 141 PHE QB 77 no 100.0 100.0 1.741 1.741 0.000 7 2 no 0.000 0 0
1 141 PHE QD 132 yes 100.0 100.0 25.187 25.187 0.000 4 3 no 0.000 0 0
1 141 PHE QE 171 yes 100.0 100.0 5.146 5.146 0.000 1 0 no 0.007 0 0
1 142 VAL QG 7 no 100.0 92.4 5.404 5.849 0.446 21 4 no 0.460 0 0
1 143 GLN QG 135 no 100.0 99.8 0.766 0.768 0.001 3 0 no 0.046 0 0
1 145 MET QB 86 no 100.0 100.0 0.047 0.047 0.000 6 0 no 0.000 0 0
1 145 MET QG 143 no 40.0 92.9 0.004 0.004 0.000 2 0 no 0.033 0 0
1 148 LYS QG 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
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