NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387198 |
1m4p   |
5532 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1m4p
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 180
_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 0.045
_Stereo_assign_list.Total_e_high_states 37.889
_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 4 SER QB 40 no 60.0 95.0 0.004 0.004 0.000 10 4 no 0.036 0 0
1 5 GLU QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 GLU QG 93 no 15.0 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 7 GLN QB 65 no 60.0 98.4 0.005 0.005 0.000 8 4 no 0.026 0 0
1 8 LEU QB 102 no 20.0 98.7 0.014 0.014 0.000 5 0 no 0.046 0 0
1 8 LEU QD 72 no 15.0 100.0 0.007 0.007 0.000 7 2 no 0.000 0 0
1 9 LYS QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.038 0 0
1 9 LYS QG 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 LYS QG 126 no 65.0 98.8 0.034 0.035 0.000 4 0 no 0.091 0 0
1 11 MET QG 48 no 20.0 77.0 0.028 0.037 0.008 9 2 no 0.215 0 0
1 12 VAL QG 1 no 100.0 100.0 0.592 0.592 0.000 31 5 no 0.000 0 0
1 14 LYS QG 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 LYS QB 25 no 95.0 99.9 1.158 1.160 0.001 12 2 no 0.114 0 0
1 16 LYS QG 145 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 17 TYR QB 80 no 15.0 100.0 0.004 0.004 0.000 7 5 no 0.000 0 0
1 18 ARG QB 168 no 5.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 ARG QD 96 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.024 0 0
1 18 ARG QG 58 no 25.0 95.0 0.017 0.018 0.001 8 1 no 0.127 0 0
1 20 LEU QB 77 no 50.0 99.9 0.006 0.006 0.000 7 3 no 0.013 0 0
1 20 LEU QD 71 no 70.0 100.0 0.015 0.015 0.000 7 2 no 0.000 0 0
1 23 ARG QB 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 23 ARG QD 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 GLU QB 105 no 5.0 99.5 0.011 0.011 0.000 5 1 no 0.025 0 0
1 24 GLU QG 104 no 50.0 99.8 0.008 0.009 0.000 5 1 no 0.019 0 0
1 26 VAL QG 43 no 90.0 100.0 1.106 1.106 0.000 9 0 no 0.000 0 0
1 27 ASN QB 36 no 15.0 97.9 0.125 0.127 0.003 10 3 no 0.222 0 0
1 27 ASN QD 76 no 5.0 100.0 0.001 0.001 0.000 7 3 no 0.000 0 0
1 28 VAL QG 6 no 100.0 100.0 1.901 1.901 0.000 17 5 no 0.000 0 0
1 29 ILE QG 28 no 70.0 100.0 0.059 0.059 0.000 11 0 no 0.000 0 0
1 31 LEU QB 33 no 100.0 100.0 0.000 0.000 0.000 10 0 no 0.024 0 0
1 31 LEU QD 57 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 32 TYR QB 52 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 33 LYS QB 144 no 100.0 100.0 0.375 0.375 0.000 3 0 no 0.000 0 0
1 34 ASP QB 92 no 45.0 96.0 0.003 0.003 0.000 6 0 no 0.026 0 0
1 35 LEU QB 124 no 15.0 89.7 0.003 0.003 0.000 4 0 no 0.070 0 0
1 35 LEU QD 3 no 100.0 100.0 1.041 1.041 0.000 27 5 no 0.000 0 0
1 36 LYS QB 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.035 0 0
1 37 PRO QB 97 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.019 0 0
1 37 PRO QG 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 VAL QG 10 no 95.0 100.0 0.522 0.522 0.000 16 5 no 0.000 0 0
1 39 LEU QB 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 39 LEU QD 8 no 25.0 100.0 0.050 0.050 0.000 16 2 no 0.000 0 0
1 40 ASP QB 16 no 95.0 99.9 0.132 0.132 0.000 14 6 no 0.031 0 0
1 41 SER QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 TYR QB 108 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 43 VAL QG 15 no 100.0 100.0 3.451 3.451 0.000 14 4 no 0.000 0 0
1 44 PHE QB 91 no 85.0 99.9 0.016 0.016 0.000 6 0 no 0.015 0 0
1 46 ASP QB 165 no 100.0 100.0 0.217 0.217 0.000 2 0 no 0.018 0 0
1 47 GLY QA 148 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 48 SER QB 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 49 SER QB 59 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.037 0 0
1 50 ARG QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 50 ARG QD 95 no 100.0 84.3 0.000 0.000 0.000 6 2 no 0.033 0 0
1 50 ARG QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 LEU QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 LEU QD 5 no 90.0 100.0 0.595 0.595 0.000 21 5 no 0.000 0 0
1 53 MET QB 75 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 54 ASN QB 35 no 45.0 99.9 0.311 0.311 0.000 10 2 no 0.048 0 0
1 54 ASN QD 41 no 80.0 100.0 0.810 0.810 0.000 10 5 no 0.031 0 0
1 55 LEU QB 143 no 5.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 55 LEU QD 12 no 50.0 100.0 0.117 0.117 0.000 15 3 no 0.000 0 0
1 57 GLY QA 24 no 100.0 100.0 0.000 0.000 0.000 12 2 no 0.034 0 0
1 59 ILE QG 119 no 0.0 0.0 0.000 0.001 0.001 4 0 no 0.116 0 0
1 60 PRO QD 22 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 60 PRO QG 142 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 61 VAL QG 21 no 100.0 0.0 0.000 0.000 0.000 13 7 no 0.000 0 0
1 62 PRO QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 PRO QD 129 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 62 PRO QG 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 TYR QB 117 no 85.0 97.5 0.050 0.051 0.001 4 0 no 0.081 0 0
1 64 ARG QB 141 no 50.0 98.4 0.050 0.051 0.001 3 0 no 0.064 0 0
1 64 ARG QG 140 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 65 GLY QA 180 no 10.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 66 ASN QB 139 no 40.0 100.0 0.051 0.051 0.000 3 0 no 0.000 0 0
1 66 ASN QD 138 no 50.0 100.0 0.026 0.026 0.000 3 0 no 0.008 0 0
1 68 TYR QB 70 no 100.0 100.0 0.000 0.000 0.000 7 1 no 0.011 0 0
1 69 ASN QB 101 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 69 ASN QD 14 no 100.0 100.0 2.661 2.661 0.000 15 6 no 0.012 0 0
1 70 ILE QG 107 no 100.0 100.0 0.155 0.155 0.000 5 2 no 0.000 0 0
1 71 PRO QD 69 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 73 CYS QB 51 no 100.0 99.3 0.191 0.192 0.001 9 4 no 0.093 0 0
1 74 LEU QB 94 no 95.0 92.1 0.000 0.001 0.000 6 1 no 0.077 0 0
1 74 LEU QD 11 no 5.0 100.0 0.001 0.001 0.000 15 3 no 0.000 0 0
1 75 TRP QB 29 no 100.0 100.0 0.000 0.000 0.000 11 1 no 0.078 0 0
1 76 LEU QB 68 no 5.0 100.0 0.001 0.001 0.000 7 0 no 0.000 0 0
1 76 LEU QD 2 no 100.0 100.0 2.150 2.150 0.000 28 8 no 0.000 0 0
1 77 LEU QB 56 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.108 0 0
1 77 LEU QD 67 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 78 ASP QB 34 no 75.0 99.8 0.057 0.057 0.000 10 2 no 0.028 0 0
1 80 TYR QB 137 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.014 0 0
1 82 TYR QB 116 no 60.0 99.5 0.049 0.049 0.000 4 0 no 0.073 0 0
1 83 ASN QB 79 no 30.0 72.9 0.007 0.010 0.003 7 4 no 0.117 0 0
1 83 ASN QD 106 no 90.0 100.0 2.059 2.059 0.000 5 2 no 0.026 0 0
1 84 PRO QD 78 no 5.0 99.6 0.001 0.001 0.000 7 4 no 0.005 0 0
1 86 ILE QG 136 no 10.0 83.2 0.001 0.002 0.000 3 0 no 0.072 0 0
1 87 CYS QB 18 no 90.0 98.9 0.136 0.138 0.002 13 1 no 0.127 0 0
1 88 PHE QB 100 no 75.0 99.7 0.251 0.251 0.001 5 0 no 0.076 0 0
1 89 VAL QG 74 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 90 LYS QB 160 no 10.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 LYS QG 39 no 70.0 99.9 0.289 0.290 0.000 10 4 no 0.063 0 0
1 91 PRO QB 174 no 100.0 100.0 0.000 0.000 0.000 2 1 no 0.005 0 0
1 91 PRO QD 147 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 91 PRO QG 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 SER QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 SER QB 135 no 50.0 100.0 0.004 0.004 0.000 3 0 no 0.000 0 0
1 95 MET QB 134 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 95 MET QG 47 no 100.0 99.9 1.382 1.383 0.001 9 2 no 0.126 0 0
1 97 ILE QG 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 98 LYS QB 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 98 LYS QG 90 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.028 0 0
1 100 GLY QA 89 no 95.0 98.7 0.037 0.038 0.000 6 0 no 0.099 0 0
1 101 LYS QG 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.038 0 0
1 102 HIS QB 30 no 90.0 100.0 0.054 0.054 0.000 11 2 no 0.001 0 0
1 103 VAL QG 9 no 55.0 100.0 0.156 0.156 0.000 16 4 no 0.000 0 0
1 104 ASP QB 88 no 100.0 100.0 1.175 1.175 0.000 6 0 no 0.011 0 0
1 106 ASN QB 87 no 95.0 0.0 0.000 0.002 0.002 6 0 no 0.114 0 0
1 107 GLY QA 49 no 5.0 99.8 0.003 0.003 0.000 9 3 no 0.008 0 0
1 108 LYS QB 179 no 95.0 100.0 0.751 0.751 0.000 1 0 no 0.023 0 0
1 109 ILE QG 133 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 111 LEU QD 19 no 20.0 100.0 0.007 0.007 0.000 13 3 no 0.000 0 0
1 112 PRO QB 178 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 112 PRO QD 149 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 113 TYR QB 177 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.016 0 0
1 114 LEU QB 103 no 95.0 99.9 0.212 0.213 0.000 5 1 no 0.068 0 0
1 114 LEU QD 127 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 116 GLU QB 86 no 20.0 100.0 0.004 0.004 0.000 6 0 no 0.000 0 0
1 117 TRP QB 176 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 118 LYS QG 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.024 0 0
1 119 HIS QB 99 no 25.0 67.7 0.003 0.005 0.001 5 0 no 0.099 0 0
1 120 PRO QD 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 120 PRO QG 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 121 GLN QB 175 no 100.0 100.0 0.124 0.124 0.000 1 0 no 0.000 0 0
1 121 GLN QG 98 no 50.0 100.0 0.976 0.976 0.000 5 0 no 0.012 0 0
1 122 SER QB 85 no 100.0 69.8 0.017 0.025 0.007 6 0 no 0.090 0 0
1 123 ASP QB 153 no 10.0 100.0 0.003 0.003 0.000 2 0 no 0.000 0 0
1 124 LEU QB 128 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 124 LEU QD 20 no 75.0 100.0 0.511 0.511 0.000 13 6 no 0.000 0 0
1 125 LEU QB 113 no 90.0 99.1 0.009 0.009 0.000 4 0 no 0.024 0 0
1 125 LEU QD 13 no 20.0 100.0 0.007 0.007 0.000 15 6 no 0.000 0 0
1 126 GLY QA 66 no 85.0 100.0 0.462 0.462 0.000 8 5 no 0.036 0 0
1 127 LEU QB 55 no 60.0 99.8 0.032 0.032 0.000 8 0 no 0.026 0 0
1 127 LEU QD 44 no 90.0 100.0 0.356 0.356 0.000 9 1 no 0.000 0 0
1 128 ILE QG 112 no 10.0 97.2 0.000 0.000 0.000 4 0 no 0.012 0 0
1 129 GLN QB 50 no 75.0 100.0 0.010 0.010 0.000 9 4 no 0.000 0 0
1 129 GLN QE 173 no 40.0 100.0 0.015 0.015 0.000 2 1 no 0.000 0 0
1 129 GLN QG 42 no 100.0 99.8 0.134 0.134 0.000 9 0 no 0.043 0 0
1 130 VAL QG 54 no 5.0 100.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 131 MET QB 111 no 10.0 90.2 0.022 0.025 0.002 4 0 no 0.168 0 0
1 131 MET QG 53 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 132 ILE QG 132 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 133 VAL QG 84 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 134 VAL QG 7 no 50.0 100.0 0.040 0.040 0.000 16 0 no 0.000 0 0
1 135 PHE QB 73 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 136 GLY QA 146 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 137 ASP QB 131 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 138 GLU QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 138 GLU QG 64 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 139 PRO QB 110 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.034 0 0
1 139 PRO QD 151 no 50.0 100.0 0.003 0.003 0.000 2 0 no 0.000 0 0
1 140 PRO QD 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 140 PRO QG 83 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 141 VAL QG 4 no 100.0 100.0 3.683 3.683 0.000 24 6 no 0.000 0 0
1 142 PHE QB 23 no 100.0 99.9 0.206 0.206 0.000 12 2 no 0.049 0 0
1 143 SER QB 46 no 100.0 99.9 0.293 0.293 0.000 9 2 no 0.033 0 0
1 144 ARG QB 130 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 144 ARG QG 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.034 0 0
1 145 PRO QD 63 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 1 PRO QB 27 no 100.0 50.0 0.000 0.000 0.000 12 6 no 0.020 0 0
2 1 PRO QG 62 no 100.0 100.0 0.197 0.197 0.000 8 4 no 0.002 0 0
2 2 GLU QB 38 no 100.0 100.0 2.161 2.161 0.000 10 4 no 0.006 0 0
2 3 PRO QB 82 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 3 PRO QD 17 no 100.0 100.0 0.228 0.228 0.000 14 8 no 0.006 0 0
2 3 PRO QG 26 no 100.0 100.0 0.012 0.012 0.000 12 4 no 0.000 0 0
2 6 PRO QB 37 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
2 6 PRO QD 31 no 100.0 0.0 0.000 0.000 0.000 11 6 no 0.000 0 0
2 6 PRO QG 32 no 100.0 100.0 0.000 0.000 0.000 11 9 no 0.011 0 0
2 7 PRO QB 61 no 100.0 100.0 0.001 0.001 0.000 8 4 no 0.000 0 0
2 7 PRO QD 60 no 100.0 100.0 0.015 0.015 0.000 8 4 no 0.000 0 0
2 8 GLU QB 45 no 100.0 100.0 3.492 3.493 0.001 9 2 no 0.133 0 0
2 9 GLU QB 81 no 100.0 100.0 0.118 0.118 0.000 6 0 no 0.012 0 0
stop_
save_
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