NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
646005 |
6xxu   |
28028 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6xxu
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 182
_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 21
_Stereo_assign_list.Total_e_low_states 0.085
_Stereo_assign_list.Total_e_high_states 36.877
_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 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 SER QB 12 no 100.0 0.0 0.000 0.003 0.003 26 16 no 0.144 0 0
1 5 ARG QG 98 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.080 0 0
1 6 ARG QG 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.079 0 0
1 7 LEU QB 78 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.046 0 0
1 7 LEU QD 8 no 100.0 0.0 0.000 0.000 0.000 30 16 no 0.000 0 0
1 8 MET QB 22 no 100.0 0.0 0.000 0.000 0.000 20 12 no 0.000 0 0
1 9 LYS QB 140 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.094 0 0
1 10 GLU QB 77 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 10 GLU QG 97 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.037 0 0
1 11 LEU QB 42 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.000 0 0
1 11 LEU QD 19 no 100.0 0.0 0.000 0.000 0.000 20 4 no 0.000 0 0
1 13 GLU QB 76 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.058 0 0
1 14 ILE QG 127 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.047 0 0
1 21 ASN QB 75 no 100.0 0.0 0.000 0.008 0.008 12 4 no 0.144 0 0
1 21 ASN QD 111 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 22 PHE QB 74 no 100.0 0.0 0.000 0.008 0.008 12 4 no 0.144 0 0
1 22 PHE QD 165 no 100.0 100.0 22.777 22.778 0.002 4 0 no 0.071 0 0
1 23 ARG QB 126 no 100.0 0.0 0.000 0.003 0.003 8 4 no 0.114 0 0
1 24 ASN QB 41 no 100.0 0.0 0.000 0.000 0.000 16 12 no 0.000 0 0
1 24 ASN QD 55 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.065 0 0
1 25 ILE QG 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 26 GLN QB 96 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 26 GLN QE 103 no 100.0 0.0 0.000 0.003 0.003 10 8 no 0.094 0 0
1 26 GLN QG 88 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 27 VAL QG 18 no 100.0 0.0 0.000 0.000 0.000 22 16 no 0.000 0 0
1 28 ASP QB 87 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.002 0 0
1 29 GLU QB 110 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 31 ASN QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 ASN QD 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 32 LEU QB 177 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 32 LEU QD 17 no 100.0 0.0 0.000 0.000 0.000 22 12 no 0.000 0 0
1 33 LEU QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 LEU QD 5 no 100.0 0.0 0.000 0.000 0.000 32 12 no 0.000 0 0
1 35 TRP QB 73 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 36 GLN QB 147 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 36 GLN QE 176 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 37 GLY QA 125 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 38 LEU QB 40 no 100.0 0.0 0.000 0.000 0.000 16 12 no 0.000 0 0
1 38 LEU QD 1 no 100.0 0.0 0.000 0.000 0.000 56 36 no 0.000 0 0
1 39 ILE QG 54 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.060 0 0
1 40 VAL QG 7 no 100.0 0.0 0.000 0.000 0.000 30 16 no 0.000 0 0
1 41 PRO QB 124 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.018 0 0
1 41 PRO QD 123 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 42 ASP QB 102 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.016 0 0
1 43 ASN QB 28 no 100.0 0.0 0.000 0.000 0.000 18 12 no 0.000 0 0
1 43 ASN QD 122 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.016 0 0
1 44 PRO QB 175 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 44 PRO QD 174 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 45 PRO QB 95 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.063 0 0
1 45 PRO QD 173 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 46 TYR QB 146 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 47 ASP QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.037 0 0
1 48 LYS QB 109 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 49 GLY QA 25 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.000 0 0
1 51 PHE QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 51 PHE QD 161 no 95.2 99.9 1.370 1.372 0.002 4 0 no 0.085 0 0
1 52 ARG QB 53 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.012 0 0
1 53 ILE QG 94 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.060 0 0
1 54 GLU QB 72 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 54 GLU QG 71 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.042 0 0
1 55 ILE QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 56 ASN QB 70 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 56 ASN QD 69 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.042 0 0
1 57 PHE QB 59 no 100.0 0.0 0.000 0.002 0.002 14 12 no 0.094 0 0
1 58 PRO QD 128 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 60 GLU QB 36 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.013 0 0
1 60 GLU QG 68 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 61 TYR QB 93 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.094 0 0
1 62 PRO QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 PHE QB 27 no 100.0 0.0 0.000 0.000 0.000 18 12 no 0.049 0 0
1 64 LYS QB 58 no 100.0 0.0 0.000 0.000 0.000 14 12 no 0.013 0 0
1 65 PRO QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 PRO QD 92 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 66 PRO QB 52 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 66 PRO QD 145 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 66 PRO QG 172 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 67 LYS QB 45 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.040 0 0
1 67 LYS QG 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 68 ILE QG 51 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 70 PHE QB 30 no 90.5 0.0 0.000 0.007 0.007 16 4 no 0.133 0 0
1 70 PHE QD 148 no 100.0 100.0 5.564 5.564 0.000 5 0 no 0.000 0 0
1 71 LYS QB 91 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 71 LYS QE 171 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 71 LYS QG 121 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.114 0 0
1 73 LYS QB 90 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.011 0 0
1 73 LYS QD 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 74 ILE QG 144 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.054 0 0
1 75 TYR QB 137 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 76 HIS QB 136 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.109 0 0
1 77 PRO QB 57 no 100.0 0.0 0.000 0.000 0.000 14 12 no 0.038 0 0
1 77 PRO QG 143 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 78 ASN QB 101 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 78 ASN QD 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 ILE QG 120 no 100.0 0.0 0.000 0.007 0.007 8 4 no 0.134 0 0
1 80 ASP QB 39 no 100.0 0.0 0.000 0.000 0.000 16 12 no 0.000 0 0
1 81 GLU QB 35 no 100.0 0.0 0.000 0.001 0.001 16 8 no 0.094 0 0
1 82 LYS QB 50 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.094 0 0
1 83 GLY QA 67 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 84 GLN QB 49 no 100.0 0.0 0.000 0.002 0.002 14 8 no 0.078 0 0
1 84 GLN QE 119 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.051 0 0
1 84 GLN QG 44 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 85 VAL QG 9 no 100.0 0.0 0.000 0.000 0.000 26 12 no 0.000 0 0
1 86 CYS QB 34 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 87 LEU QB 100 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 87 LEU QD 11 no 100.0 0.0 0.000 0.000 0.000 26 16 no 0.000 0 0
1 88 PRO QB 83 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 89 VAL QG 24 no 100.0 0.0 0.000 0.000 0.000 20 16 no 0.000 0 0
1 90 ILE QG 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 91 SER QB 21 no 100.0 0.0 0.000 0.000 0.000 20 12 no 0.012 0 0
1 94 ASN QB 33 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.047 0 0
1 94 ASN QD 48 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 95 TRP QB 66 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 96 LYS QB 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 96 LYS QD 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 96 LYS QG 108 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.019 0 0
1 97 PRO QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 100 LYS QB 43 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.030 0 0
1 102 ASP QB 47 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.012 0 0
1 103 GLN QB 38 no 100.0 0.0 0.000 0.000 0.000 16 12 no 0.000 0 0
1 103 GLN QE 170 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 103 GLN QG 65 no 0.0 0.0 0.000 0.002 0.002 12 4 no 0.080 0 0
1 104 VAL QG 10 no 100.0 0.0 0.000 0.000 0.000 26 16 no 0.000 0 0
1 105 ILE QG 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 106 GLN QE 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.021 0 0
1 106 GLN QG 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 107 SER QB 3 no 100.0 0.0 0.000 0.001 0.001 36 24 no 0.060 0 0
1 108 LEU QB 32 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.002 0 0
1 108 LEU QD 2 no 100.0 0.0 0.000 0.000 0.000 36 16 no 0.000 0 0
1 109 ILE QG 118 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 111 LEU QB 23 no 100.0 0.0 0.000 0.002 0.002 20 16 no 0.068 0 0
1 111 LEU QD 14 no 100.0 0.0 0.000 0.000 0.000 26 20 no 0.000 0 0
1 112 VAL QG 16 no 100.0 0.0 0.000 0.000 0.000 22 8 no 0.000 0 0
1 113 ASN QD 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 114 ASP QB 64 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.039 0 0
1 115 PRO QB 142 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 115 PRO QD 169 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 116 GLN QB 117 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 116 GLN QE 84 no 100.0 0.0 0.000 0.000 0.000 12 12 no 0.000 0 0
1 116 GLN QG 82 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.045 0 0
1 117 PRO QB 116 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 117 PRO QD 168 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 118 GLU QG 132 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.013 0 0
1 119 HIS QB 167 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 120 PRO QB 31 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.023 0 0
1 120 PRO QD 115 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 121 LEU QB 13 no 100.0 0.0 0.000 0.001 0.001 26 20 no 0.057 0 0
1 121 LEU QD 15 no 100.0 0.0 0.000 0.000 0.000 24 8 no 0.000 0 0
1 122 ARG QB 26 no 100.0 0.0 0.000 0.001 0.001 18 12 no 0.057 0 0
1 122 ARG QD 81 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 122 ARG QG 80 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.021 0 0
1 124 ASP QB 114 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 125 LEU QB 107 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 125 LEU QD 4 no 100.0 0.0 0.000 0.000 0.000 34 20 no 0.000 0 0
1 127 GLU QG 61 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.024 0 0
1 128 GLU QB 113 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.038 0 0
1 129 TYR QB 46 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 130 SER QB 6 no 100.0 0.0 0.000 0.003 0.003 30 12 no 0.072 0 0
1 131 LYS QB 79 no 100.0 0.0 0.000 0.001 0.001 12 8 no 0.082 0 0
1 132 ASP QB 63 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 133 ARG QB 86 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.058 0 0
1 134 LYS QB 60 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.064 0 0
1 136 PHE QB 85 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.009 0 0
1 136 PHE QD 152 no 4.8 100.0 0.008 0.008 0.000 4 0 no 0.000 0 0
1 137 CYS QB 112 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.014 0 0
1 139 ASN QB 131 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 139 ASN QD 130 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 141 GLU QB 106 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.038 0 0
1 143 PHE QB 89 no 100.0 0.0 0.000 0.001 0.001 10 2 no 0.076 0 0
1 143 PHE QD 104 no 100.0 100.0 7.074 7.074 0.000 9 2 no 0.044 0 0
1 146 LYS QB 20 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.021 0 0
1 146 LYS QD 151 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.101 0 0
1 146 LYS QE 166 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.021 0 0
1 146 LYS QG 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 147 TYR QB 62 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 148 GLY QA 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 GLU QB 29 no 100.0 0.0 0.000 0.005 0.005 16 4 no 0.099 0 0
1 151 ARG QB 56 no 100.0 0.0 0.000 0.000 0.000 14 12 no 0.000 0 0
1 152 PRO QB 149 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.095 0 0
1 152 PRO QD 37 no 100.0 0.0 0.000 0.000 0.000 16 12 no 0.000 0 0
1 152 PRO QG 99 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 153 VAL QG 105 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
stop_
save_
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