NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
373546 |
1ds9   |
4265 | cing | recoord | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1ds9
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 200
_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 17
_Stereo_assign_list.Total_e_low_states 0.065
_Stereo_assign_list.Total_e_high_states 0.065
_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 1 MET QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 1 MET QG 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 LYS QB 86 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 3 LYS QE 141 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 7 ILE QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 LYS QB 140 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 8 LYS QE 139 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 8 LYS QG 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.013 0 0
1 9 ASP QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 ARG QB 67 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 12 ARG QD 66 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.017 0 0
1 13 ILE QG 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 PHE QB 65 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.022 0 0
1 15 GLU QB 35 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.038 0 0
1 15 GLU QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 GLU QB 64 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.062 0 0
1 16 GLU QG 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.038 0 0
1 17 ARG QB 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 ARG QG 34 no 100.0 0.0 0.000 0.008 0.008 8 0 no 0.146 0 0
1 18 LYS QB 52 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 18 LYS QD 138 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 18 LYS QE 51 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 18 LYS QG 25 no 100.0 0.0 0.000 0.019 0.019 10 4 no 0.152 0 0
1 19 SER QB 85 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.036 0 0
1 20 VAL QG 1 no 100.0 0.0 0.000 0.000 0.000 36 20 no 0.000 0 0
1 21 VAL QG 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 GLU QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 GLU QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 GLU QG 33 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.004 0 0
1 27 LYS QB 49 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 27 LYS QE 137 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 28 VAL QG 6 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 30 LEU QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 LEU QD 24 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 32 GLY QA 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.024 0 0
1 34 ILE QG 84 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 36 PRO QD 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 PRO QG 83 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 38 GLU QB 82 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.034 0 0
1 38 GLU QG 136 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 39 LYS QB 28 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.009 0 0
1 39 LYS QD 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 39 LYS QE 48 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.017 0 0
1 39 LYS QG 15 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.034 0 0
1 40 MET QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 41 ASP QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 LEU QB 81 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 44 LEU QD 32 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 45 SER QB 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 47 LEU QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 LEU QD 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 50 CYS QB 80 no 0.0 0.0 0.000 0.000 0.000 6 4 no 0.047 0 0
1 51 LYS QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 HIS QB 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 55 LEU QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 55 LEU QD 63 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 56 SER QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 ASN QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 ASN QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 ASN QD 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.060 0 0
1 61 GLU QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 GLU QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 SER QB 79 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.009 0 0
1 65 SER QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 LEU QB 47 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 67 SER QB 62 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 68 GLY QA 135 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 71 ASN QB 134 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.047 0 0
1 73 ARG QD 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 74 ILE QG 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 LEU QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 SER QB 19 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.007 0 0
1 77 LEU QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 77 LEU QD 12 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 78 GLY QA 175 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.135 0 0
1 79 ARG QG 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 ASN QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 ASN QD 172 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.084 0 0
1 81 LEU QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 LEU QD 23 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 85 ILE QG 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.056 0 0
1 86 GLU QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 ASN QB 112 no 0.0 0.0 0.000 0.001 0.001 4 0 no 0.094 0 0
1 88 LEU QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 LEU QD 61 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 89 ASP QB 5 no 100.0 0.0 0.000 0.001 0.001 20 16 no 0.093 0 0
1 91 VAL QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 ASP QB 60 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.049 0 0
1 96 GLU QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 GLU QG 46 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 98 LEU QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 98 LEU QD 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 99 TRP QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 SER QB 110 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 102 TYR QB 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 103 ASN QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 GLN QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 GLN QG 59 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.033 0 0
1 107 SER QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 109 SER QB 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 111 ILE QG 107 no 0.0 0.0 0.000 0.001 0.001 4 0 no 0.118 0 0
1 113 LYS QB 133 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 113 LYS QD 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 113 LYS QE 132 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 113 LYS QG 45 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.040 0 0
1 114 LEU QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 114 LEU QD 105 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 115 VAL QG 78 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 116 ASN QB 77 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 117 LEU QD 44 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 118 ARG QB 76 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 118 ARG QD 43 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.004 0 0
1 118 ARG QG 104 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 119 VAL QG 11 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 120 LEU QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 120 LEU QD 58 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 123 SER QB 42 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 124 ASN QB 18 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.076 0 0
1 124 ASN QD 22 no 100.0 0.0 0.000 0.003 0.003 10 4 no 0.118 0 0
1 125 ASN QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 126 LYS QG 103 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 127 ILE QG 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 129 ASN QB 75 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 130 TRP QB 74 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 133 ILE QG 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 134 ASP QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 136 LEU QB 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 136 LEU QD 57 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 139 LEU QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 LEU QD 56 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 140 ASP QB 101 no 0.0 0.0 0.000 0.003 0.003 4 0 no 0.107 0 0
1 142 LEU QD 100 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 143 GLU QG 7 no 0.0 0.0 0.000 0.002 0.002 16 8 no 0.136 0 0
1 144 ASP QB 21 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 145 LEU QB 99 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.075 0 0
1 145 LEU QD 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 146 LEU QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 146 LEU QD 4 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.000 0 0
1 147 LEU QB 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 LEU QD 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 GLY QA 131 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 151 PRO QB 73 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.039 0 0
1 152 LEU QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 152 LEU QD 2 no 100.0 0.0 0.000 0.000 0.000 34 8 no 0.000 0 0
1 153 TYR QB 96 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 154 ASN QB 27 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.036 0 0
1 154 ASN QD 55 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 155 ASP QB 31 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.048 0 0
1 156 TYR QB 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 GLU QB 130 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.036 0 0
1 159 ASN QB 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.068 0 0
1 160 ASN QB 30 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 163 SER QB 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 164 GLU QB 17 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 164 GLU QG 8 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.001 0 0
1 165 TYR QB 29 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 166 ARG QB 72 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 166 ARG QD 54 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.154 0 0
1 167 ILE QG 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 169 VAL QG 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 170 VAL QG 3 no 100.0 0.0 0.000 0.000 0.000 26 20 no 0.000 0 0
1 171 LYS QB 14 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 171 LYS QE 10 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.074 0 0
1 171 LYS QG 41 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 172 ARG QD 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 173 LEU QD 129 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 174 PRO QD 71 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 175 ASN QB 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 175 ASN QD 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.020 0 0
1 176 LEU QB 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 177 LYS QB 26 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.041 0 0
1 177 LYS QE 50 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.011 0 0
1 177 LYS QG 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 178 LYS QB 128 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 178 LYS QD 127 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.002 0 0
1 178 LYS QE 13 no 100.0 0.0 0.000 0.001 0.001 12 8 no 0.048 0 0
1 178 LYS QG 70 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.010 0 0
1 179 LEU QB 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 179 LEU QD 92 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 180 ASP QB 69 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 181 GLY QA 16 no 100.0 0.0 0.000 0.000 0.000 12 12 no 0.040 0 0
1 183 PRO QD 126 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 184 VAL QG 68 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 185 ASP QB 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 186 VAL QG 91 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 187 ASP QB 90 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 188 GLU QB 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 188 GLU QG 40 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.004 0 0
1 189 ARG QD 39 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.010 0 0
1 189 ARG QG 89 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.041 0 0
1 190 GLU QB 88 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 190 GLU QG 38 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.002 0 0
1 191 GLN QB 20 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.055 0 0
1 191 GLN QE 37 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.002 0 0
1 191 GLN QG 53 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 193 ASN QB 9 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.008 0 0
1 193 ASN QD 87 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.135 0 0
1 194 VAL QG 36 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 196 ARG QB 125 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 196 ARG QG 124 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
stop_
save_
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