NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609722 |
2n84   |
25834 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2n84
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 194
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 1
_Stereo_assign_list.Deassign_percentage 0.5
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 0.408
_Stereo_assign_list.Total_e_high_states 190.632
_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 MET QG 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 VAL QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 LEU QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 LEU QD 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 LEU QB 185 no 100.0 0.0 0.000 0.023 0.023 2 0 no 0.475 0 0
1 11 SER QB 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 12 ARG QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 ARG QG 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 VAL QG 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 17 GLU QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.070 0 0
1 17 GLU QG 92 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 LYS QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 18 LYS QD 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
1 18 LYS QE 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 LYS QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 GLU QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 GLU QG 177 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.111 0 0
1 22 ILE QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 28 PRO QB 112 no 100.0 99.8 2.548 2.553 0.005 3 0 no 0.145 0 0
1 28 PRO QD 175 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.037 0 0
1 29 LYS QD 174 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.115 0 0
1 29 LYS QE 173 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.071 0 0
1 29 LYS QG 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.021 0 0
1 30 VAL QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 VAL QG 170 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.139 0 0
1 33 LEU QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 LEU QD 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 35 GLU QG 91 no 80.0 99.7 0.597 0.598 0.002 4 0 no 0.107 0 0
1 38 LYS QE 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 GLN QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 GLN QE 90 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.013 0 0
1 40 LEU QD 165 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.080 0 0
1 41 PRO QB 111 no 100.0 99.9 4.422 4.425 0.003 3 0 no 0.123 0 0
1 42 GLN QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 GLN QE 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.014 0 0
1 42 GLN QG 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 HIS QB 89 no 100.0 0.0 0.000 0.010 0.010 4 0 no 0.179 0 0
1 44 ILE QG 88 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.114 0 0
1 45 ILE QG 67 no 100.0 99.9 0.695 0.695 0.001 5 0 no 0.072 0 0
1 47 VAL QG 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 ASP QB 29 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 50 PRO QB 160 no 100.0 100.0 0.617 0.617 0.000 2 0 no 0.000 0 0
1 50 PRO QG 194 no 100.0 100.0 0.395 0.395 0.000 1 0 no 0.000 0 0
1 52 LYS QE 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 LYS QG 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 LEU QB 18 no 100.0 99.9 2.807 2.811 0.004 9 0 no 0.068 0 0
1 53 LEU QD 157 no 100.0 0.0 0.000 0.012 0.012 2 0 no 0.157 0 0
1 54 ASN QB 39 no 100.0 99.3 1.119 1.127 0.008 7 0 no 0.137 0 0
1 54 ASN QD 38 no 100.0 100.0 6.170 6.170 0.000 7 0 no 0.017 0 0
1 56 GLN QB 49 no 100.0 100.0 1.890 1.891 0.001 6 0 no 0.055 0 0
1 56 GLN QE 5 no 90.0 0.0 0.000 0.003 0.003 18 4 no 0.119 0 0
1 57 VAL QG 54 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 58 SER QB 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 59 TYR QB 66 no 100.0 100.0 1.477 1.478 0.001 5 0 no 0.050 0 0
1 60 PHE QB 86 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 61 GLN QB 48 no 100.0 100.0 0.385 0.385 0.000 6 0 no 0.000 0 0
1 61 GLN QE 32 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 63 PRO QB 85 no 100.0 100.0 1.220 1.220 0.000 4 0 no 0.000 0 0
1 63 PRO QG 84 no 100.0 99.5 2.054 2.064 0.009 4 0 no 0.123 0 0
1 64 PRO QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 PRO QD 83 no 100.0 100.0 1.206 1.206 0.000 4 0 no 0.000 0 0
1 65 TRP QB 37 no 100.0 100.0 0.789 0.789 0.000 7 0 no 0.000 0 0
1 69 PRO QB 110 no 100.0 100.0 1.527 1.527 0.000 3 0 no 0.019 0 0
1 70 SER QB 82 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 CYS QB 28 no 100.0 100.0 1.312 1.312 0.000 8 0 no 0.017 0 0
1 74 HIS QB 27 no 100.0 100.0 4.975 4.975 0.001 8 0 no 0.046 0 0
1 75 LEU QB 47 no 100.0 100.0 1.990 1.990 0.000 6 0 no 0.010 0 0
1 75 LEU QD 26 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.011 0 0
1 76 GLN QB 21 no 100.0 100.0 4.871 4.871 0.000 9 2 no 0.012 0 0
1 76 GLN QE 6 no 100.0 100.0 0.347 0.347 0.000 17 6 no 0.028 0 0
1 76 GLN QG 50 no 100.0 100.0 0.835 0.835 0.000 6 2 no 0.020 0 0
1 77 CYS QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 ARG QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 ARG QD 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 ARG QG 36 no 100.0 100.0 2.542 2.542 0.000 7 0 no 0.001 0 0
1 80 ASP QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 GLY QA 65 no 100.0 100.0 0.333 0.333 0.000 5 0 no 0.000 0 0
1 82 LEU QB 109 no 100.0 100.0 3.368 3.368 0.000 3 0 no 0.000 0 0
1 82 LEU QD 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 LEU QB 108 no 100.0 100.0 2.695 2.695 0.000 3 0 no 0.000 0 0
1 84 LEU QD 107 no 100.0 100.0 1.039 1.039 0.000 3 0 no 0.000 0 0
1 87 LEU QB 106 no 100.0 100.0 0.791 0.791 0.000 3 0 no 0.000 0 0
1 87 LEU QD 46 no 100.0 100.0 2.300 2.300 0.000 6 0 no 0.005 0 0
1 88 GLY QA 81 no 100.0 100.0 0.453 0.453 0.000 4 0 no 0.000 0 0
1 89 LEU QD 80 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 HIS QB 35 no 100.0 100.0 2.392 2.392 0.000 7 0 no 0.038 0 0
1 91 ARG QB 64 no 100.0 100.0 0.477 0.477 0.000 5 0 no 0.000 0 0
1 91 ARG QD 79 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 PHE QB 63 no 100.0 99.8 3.601 3.606 0.005 5 0 no 0.104 0 0
1 93 PRO QB 150 no 100.0 100.0 0.386 0.386 0.000 2 0 no 0.000 0 0
1 94 PHE QB 9 no 100.0 100.0 3.603 3.604 0.001 15 2 no 0.058 0 0
1 95 TYR QB 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 LEU QB 78 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.033 0 0
1 96 LEU QD 15 no 100.0 0.0 0.000 0.014 0.014 10 4 no 0.337 0 0
1 97 PHE QB 34 no 100.0 100.0 1.147 1.147 0.000 7 0 no 0.040 0 0
1 98 GLY QA 105 no 100.0 100.0 0.916 0.916 0.000 3 0 no 0.000 0 0
1 99 ARG QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 ARG QD 62 no 100.0 99.9 1.126 1.127 0.002 5 0 no 0.110 0 0
1 100 SER QB 45 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.069 0 0
1 101 LYS QB 104 no 100.0 100.0 0.365 0.365 0.000 3 0 no 0.000 0 0
1 101 LYS QD 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 LYS QE 77 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.086 0 0
1 101 LYS QG 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 VAL QG 25 no 100.0 100.0 4.804 4.804 0.000 8 0 no 0.034 0 0
1 103 CYS QB 44 no 100.0 0.0 0.000 0.239 0.239 6 0 yes 0.704 0 5
1 105 TYR QB 103 no 100.0 100.0 0.952 0.952 0.000 3 0 no 0.000 0 0
1 107 LEU QB 76 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 107 LEU QD 33 no 100.0 100.0 6.121 6.121 0.000 7 0 no 0.024 0 0
1 109 HIS QB 61 no 100.0 100.0 2.203 2.203 0.000 5 0 no 0.018 0 0
1 110 PRO QD 193 no 100.0 100.0 0.261 0.261 0.000 1 0 no 0.000 0 0
1 110 PRO QG 145 no 100.0 100.0 1.169 1.169 0.000 2 0 no 0.000 0 0
1 111 SER QB 97 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 112 ILE QG 17 no 100.0 100.0 1.927 1.928 0.000 9 0 no 0.043 0 0
1 113 SER QB 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 VAL QG 75 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.020 0 0
1 116 HIS QB 43 no 100.0 100.0 1.339 1.339 0.000 6 0 no 0.015 0 0
1 118 VAL QG 11 no 100.0 100.0 12.643 12.644 0.001 11 1 no 0.059 0 0
1 119 LEU QB 42 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.036 0 0
1 119 LEU QD 60 no 100.0 100.0 4.935 4.935 0.000 5 0 no 0.009 0 0
1 120 VAL QG 7 no 100.0 100.0 14.261 14.261 0.000 16 3 no 0.000 0 0
1 121 PHE QB 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 122 HIS QB 4 no 100.0 100.0 3.040 3.040 0.000 18 4 no 0.000 0 0
1 123 GLY QA 142 no 100.0 99.9 0.550 0.551 0.001 2 0 no 0.068 0 0
1 125 GLN QB 53 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 125 GLN QE 1 no 100.0 99.9 3.802 3.807 0.005 24 14 no 0.101 0 0
1 125 GLN QG 141 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 126 ARG QB 140 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 126 ARG QG 102 no 100.0 100.0 1.597 1.597 0.000 3 0 no 0.000 0 0
1 128 PHE QB 13 no 100.0 99.6 2.717 2.727 0.010 10 0 no 0.128 0 0
1 129 VAL QG 31 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.021 0 0
1 130 LEU QB 59 no 100.0 100.0 1.680 1.680 0.000 5 0 no 0.028 0 0
1 130 LEU QD 139 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 131 MET QB 101 no 100.0 100.0 0.961 0.961 0.000 3 0 no 0.000 0 0
1 131 MET QG 58 no 100.0 100.0 0.868 0.868 0.000 5 0 no 0.000 0 0
1 132 ASP QB 24 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.054 0 0
1 133 LEU QB 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.022 0 0
1 133 LEU QD 74 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 134 GLY QA 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 SER QB 41 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.018 0 0
1 137 ASN QB 136 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 137 ASN QD 14 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.058 0 0
1 139 VAL QG 73 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.036 0 0
1 140 LYS QB 16 no 100.0 100.0 5.286 5.286 0.000 9 0 no 0.031 0 0
1 140 LYS QE 135 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.064 0 0
1 140 LYS QG 57 no 100.0 100.0 2.092 2.092 0.000 5 0 no 0.035 0 0
1 141 LEU QB 72 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.031 0 0
1 141 LEU QD 134 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.030 0 0
1 142 ASN QB 19 no 100.0 100.0 0.991 0.991 0.000 9 1 no 0.000 0 0
1 142 ASN QD 3 no 100.0 100.0 0.884 0.884 0.000 20 6 no 0.010 0 0
1 143 GLY QA 56 no 100.0 99.7 0.683 0.685 0.002 5 0 no 0.100 0 0
1 144 ASN QD 133 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 ARG QB 132 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 ARG QD 131 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 ARG QG 130 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 GLU QB 71 no 100.0 99.2 0.529 0.534 0.004 4 0 no 0.182 0 0
1 147 GLU QG 129 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.006 0 0
1 148 LYS QB 70 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 148 LYS QE 128 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.115 0 0
1 148 LYS QG 127 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.046 0 0
1 149 ARG QB 126 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 149 ARG QD 125 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.162 0 0
1 149 ARG QG 124 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.180 0 0
1 150 ARG QD 123 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 150 ARG QG 122 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.057 0 0
1 151 PRO QB 121 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 152 LEU QB 100 no 100.0 99.9 0.621 0.621 0.000 3 0 no 0.055 0 0
1 152 LEU QD 120 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 153 PRO QG 191 no 100.0 100.0 0.894 0.894 0.000 2 2 no 0.017 0 0
1 155 PRO QB 99 no 100.0 100.0 1.540 1.541 0.000 3 0 no 0.030 0 0
1 156 VAL QG 119 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 157 GLY QA 96 no 100.0 100.0 0.829 0.829 0.000 4 2 no 0.029 0 0
1 158 SER QB 52 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 159 SER QB 40 no 100.0 100.0 6.537 6.539 0.002 7 1 no 0.093 0 0
1 160 ILE QG 69 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 161 GLN QB 10 no 100.0 100.0 4.482 4.483 0.001 12 3 no 0.043 0 0
1 161 GLN QE 8 no 100.0 100.0 2.138 2.138 0.000 16 6 no 0.048 0 0
1 161 GLN QG 20 no 100.0 99.9 3.387 3.390 0.003 9 2 no 0.070 0 0
1 162 PHE QB 98 no 100.0 100.0 0.602 0.602 0.000 3 0 no 0.000 0 0
1 163 GLY QA 23 no 100.0 100.0 2.401 2.401 0.000 8 0 no 0.041 0 0
1 164 PHE QB 55 no 100.0 99.9 2.139 2.142 0.003 5 0 no 0.128 0 0
1 165 SER QB 118 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 166 SER QB 68 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 167 ARG QB 117 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.027 0 0
1 167 ARG QD 116 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.129 0 0
1 168 VAL QG 190 no 100.0 100.0 1.135 1.135 0.000 2 1 no 0.004 0 0
1 169 TYR QB 22 no 100.0 100.0 4.193 4.193 0.001 8 0 no 0.040 0 0
1 170 LYS QB 30 no 100.0 100.0 1.702 1.703 0.000 8 2 no 0.021 0 0
1 170 LYS QG 115 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 171 VAL QG 12 no 100.0 100.0 6.299 6.299 0.000 10 0 no 0.000 0 0
1 172 GLN QB 51 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 172 GLN QE 2 no 100.0 100.0 1.764 1.764 0.000 21 6 no 0.009 0 0
1 174 GLY QA 192 no 100.0 100.0 1.483 1.483 0.000 1 0 no 0.007 0 0
1 177 SER QB 114 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
1 179 SER QB 113 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
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