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 |
|
|
530363 |
2lok   |
18215 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lok
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 182
_Stereo_assign_list.Swap_count 11
_Stereo_assign_list.Swap_percentage 6.0
_Stereo_assign_list.Deassign_count 20
_Stereo_assign_list.Deassign_percentage 11.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 101.530
_Stereo_assign_list.Total_e_high_states 682.640
_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 ILE QG 72 no 90.0 97.1 0.812 0.836 0.024 12 6 no 0.237 0 0
1 5 PRO QB 64 no 100.0 100.0 2.813 2.813 0.001 13 4 no 0.074 0 0
1 5 PRO QD 23 no 100.0 94.9 0.978 1.031 0.053 18 5 no 0.361 0 0
1 5 PRO QG 68 no 100.0 98.1 0.893 0.910 0.017 12 2 no 0.237 0 0
1 6 LEU QB 70 no 100.0 99.5 0.579 0.582 0.003 12 5 no 0.155 0 0
1 6 LEU QD 119 no 100.0 0.0 0.000 0.002 0.002 6 4 no 0.139 0 0
1 7 PRO QB 95 no 100.0 99.2 0.849 0.856 0.007 8 2 no 0.227 0 0
1 7 PRO QD 20 no 100.0 99.5 1.180 1.186 0.006 19 9 no 0.139 0 0
1 7 PRO QG 154 no 75.0 96.8 0.093 0.096 0.003 3 1 no 0.155 0 0
1 8 VAL QG 3 no 100.0 99.9 7.512 7.517 0.005 33 7 no 0.204 0 0
1 10 ASP QB 180 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.230 0 0
1 12 ASP QB 148 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 15 TRP QB 87 no 40.0 100.0 0.009 0.009 0.000 9 2 no 0.000 0 0
1 18 ARG QB 77 no 95.0 99.8 0.423 0.424 0.001 10 1 no 0.094 0 0
1 18 ARG QG 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.080 0 0
1 19 ILE QG 45 no 100.0 99.2 0.460 0.463 0.004 14 3 no 0.152 0 0
1 22 HIS QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 ASP QB 31 no 100.0 100.0 0.265 0.265 0.000 17 1 no 0.000 0 0
1 27 ASP QB 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 28 GLU QB 56 no 100.0 100.0 1.680 1.680 0.001 13 2 no 0.080 0 0
1 28 GLU QG 60 no 100.0 99.1 0.903 0.911 0.008 13 3 no 0.190 0 0
1 29 PHE QD 63 yes 90.0 89.3 18.707 20.952 2.246 13 4 yes 3.480 6 10
1 29 PHE QE 143 yes 90.0 84.2 4.043 4.800 0.757 4 0 yes 2.222 4 4
1 30 LEU QB 69 no 75.0 88.0 0.965 1.096 0.131 12 5 yes 1.603 1 1
1 30 LEU QD 5 no 20.0 0.0 0.000 9.613 9.613 30 16 yes 2.671 3 4
1 33 HIS QB 94 no 100.0 0.0 0.000 0.028 0.028 8 2 no 0.000 0 0
1 34 ASP QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 GLN QE 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.071 0 0
1 35 GLN QG 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 SER QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 ILE QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 40 PRO QB 121 no 100.0 100.0 0.144 0.144 0.000 5 0 no 0.000 0 0
1 40 PRO QG 141 no 100.0 100.0 2.801 2.801 0.000 4 0 no 0.008 0 0
1 42 ASP QB 85 no 100.0 100.0 0.202 0.202 0.000 9 0 no 0.019 0 0
1 43 ARG QB 84 no 70.0 99.9 0.371 0.371 0.001 9 0 no 0.077 0 0
1 44 GLY QA 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 PHE QB 110 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.003 0 0
1 46 PHE QD 35 yes 100.0 99.9 13.403 13.410 0.007 16 3 no 0.203 0 0
1 46 PHE QE 182 yes 100.0 100.0 0.367 0.367 0.000 1 0 no 0.000 0 0
1 47 ASP QB 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 48 GLY QA 114 no 85.0 100.0 0.265 0.265 0.000 6 3 no 0.000 0 0
1 49 LEU QD 17 no 30.0 0.0 0.000 5.849 5.849 20 10 no 0.233 0 0
1 50 ARG QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 50 ARG QD 109 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.099 0 0
1 50 ARG QG 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 51 TYR QD 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 PHE QE 172 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.090 0 0
1 53 ASP QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 ILE QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 55 ASP QB 147 no 100.0 0.0 0.000 0.134 0.134 4 2 no 0.000 0 0
1 57 SER QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 58 PHE QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 PHE QD 62 no 95.0 95.3 30.827 32.356 1.529 13 4 yes 3.059 6 9
1 58 PHE QE 101 no 95.0 92.6 10.168 10.985 0.817 7 1 yes 2.833 4 4
1 59 ARG QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 60 VAL QG 54 no 100.0 0.0 0.000 0.105 0.105 14 8 no 0.000 0 0
1 63 ARG QB 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 64 TYR QB 25 no 100.0 99.5 1.244 1.249 0.006 18 7 no 0.163 0 0
1 64 TYR QD 11 no 100.0 100.0 34.698 34.709 0.010 22 7 no 0.240 0 0
1 64 TYR QE 37 no 100.0 100.0 22.442 22.442 0.000 16 6 no 0.036 0 0
1 65 GLN QB 51 no 100.0 100.0 3.407 3.407 0.000 14 4 no 0.068 0 0
1 65 GLN QE 120 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.000 0 0
1 65 GLN QG 24 no 100.0 99.8 7.008 7.019 0.011 18 6 no 0.141 0 0
1 69 ASP QB 146 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 70 PRO QB 55 no 100.0 97.6 0.482 0.494 0.012 13 2 no 0.230 0 0
1 70 PRO QD 44 no 100.0 100.0 0.688 0.688 0.000 14 2 no 0.022 0 0
1 70 PRO QG 99 no 75.0 100.0 0.347 0.347 0.000 7 0 no 0.048 0 0
1 71 GLU QB 91 no 100.0 100.0 0.625 0.625 0.000 8 1 no 0.000 0 0
1 71 GLU QG 59 no 100.0 98.5 0.516 0.524 0.008 13 3 no 0.230 0 0
1 73 VAL QG 50 no 100.0 0.0 0.000 0.025 0.025 14 4 no 0.222 0 0
1 75 LEU QD 15 no 0.0 0.0 0.000 3.085 3.085 20 8 no 0.193 0 0
1 76 GLU QB 82 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.016 0 0
1 76 GLU QG 52 no 100.0 97.7 0.251 0.257 0.006 14 5 no 0.192 0 0
1 79 ARG QB 81 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.076 0 0
1 79 ARG QD 108 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 79 ARG QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 PRO QB 49 no 100.0 99.5 0.346 0.348 0.002 14 4 no 0.091 0 0
1 82 PRO QD 167 no 95.0 100.0 0.197 0.197 0.000 2 0 no 0.000 0 0
1 82 PRO QG 153 no 50.0 99.8 0.155 0.155 0.000 3 1 no 0.060 0 0
1 84 GLU QG 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 85 TYR QB 80 no 100.0 100.0 0.910 0.910 0.000 10 4 no 0.018 0 0
1 85 TYR QD 9 no 70.0 54.8 17.554 32.024 14.470 24 9 yes 2.874 171 219
1 85 TYR QE 79 no 70.0 51.0 8.840 17.326 8.486 10 4 yes 2.653 86 118
1 87 ARG QB 71 no 100.0 99.5 0.714 0.717 0.003 12 6 no 0.211 0 0
1 87 ARG QD 93 no 100.0 0.0 0.000 0.002 0.002 8 2 no 0.133 0 0
1 87 ARG QG 40 no 100.0 88.5 0.769 0.869 0.100 15 3 no 0.437 0 0
1 90 VAL QG 48 no 100.0 0.0 0.000 0.006 0.006 14 4 no 0.167 0 0
1 91 LEU QB 34 no 100.0 99.7 0.594 0.595 0.002 17 6 no 0.105 0 0
1 91 LEU QD 29 no 100.0 0.0 0.000 0.000 0.000 18 12 no 0.000 0 0
1 92 GLY QA 67 no 100.0 91.3 0.549 0.602 0.052 12 1 no 0.000 0 0
1 93 PHE QB 42 no 100.0 100.0 0.408 0.409 0.000 15 4 no 0.050 0 0
1 93 PHE QD 8 yes 95.0 94.6 48.436 51.201 2.765 25 11 yes 4.476 10 15
1 93 PHE QE 78 yes 95.0 95.4 11.251 11.792 0.541 10 3 yes 1.980 3 4
1 94 ASP QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 LEU QB 10 yes 95.0 42.2 3.089 7.315 4.227 23 12 yes 2.332 1 3
1 95 LEU QD 7 no 100.0 0.0 0.000 9.961 9.961 26 16 yes 2.678 3 4
1 96 GLY QA 90 no 75.0 64.9 0.039 0.060 0.021 8 1 no 0.047 0 0
1 97 ASP QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 98 SER QB 107 no 75.0 91.2 0.032 0.035 0.003 6 0 no 0.131 0 0
1 100 HIS QB 152 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 102 LEU QB 118 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 102 LEU QD 12 no 100.0 0.0 0.000 0.000 0.000 22 12 no 0.064 0 0
1 105 PHE QB 181 no 100.0 0.0 0.000 0.057 0.057 2 2 no 0.000 0 0
1 105 PHE QD 74 no 100.0 100.0 13.326 13.326 0.000 11 0 no 0.050 0 0
1 106 ARG QB 32 no 100.0 96.9 0.310 0.320 0.010 17 2 no 0.230 0 0
1 106 ARG QD 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 ARG QG 30 no 100.0 99.8 0.752 0.753 0.001 17 1 no 0.076 0 0
1 107 VAL QG 36 no 15.0 0.0 0.000 5.005 5.005 16 6 yes 3.341 14 26
1 109 GLY QA 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 110 GLU QB 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 110 GLU QG 131 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.183 0 0
1 111 SER QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 SER QB 97 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.148 0 0
1 113 LEU QB 22 no 100.0 100.0 0.304 0.304 0.000 18 4 no 0.052 0 0
1 113 LEU QD 28 no 100.0 0.0 0.000 0.011 0.011 18 10 no 0.240 0 0
1 114 PHE QB 83 no 60.0 100.0 0.046 0.046 0.000 9 0 no 0.000 0 0
1 114 PHE QD 88 no 100.0 92.6 44.581 48.151 3.570 9 4 no 0.083 0 0
1 114 PHE QE 123 no 100.0 93.7 34.390 36.718 2.329 5 2 no 0.273 0 0
1 115 VAL QG 18 no 100.0 0.0 0.000 9.433 9.433 20 14 no 0.099 0 0
1 117 PHE QB 151 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.010 0 0
1 117 PHE QD 41 no 100.0 100.0 23.469 23.469 0.000 15 4 no 0.000 0 0
1 117 PHE QE 53 no 100.0 100.0 22.856 22.856 0.001 14 6 no 0.072 0 0
1 119 ASP QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 120 GLU QB 89 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.019 0 0
1 120 GLU QG 38 no 50.0 100.0 0.258 0.258 0.000 15 0 no 0.022 0 0
1 123 ASP QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 125 GLY QA 128 no 55.0 100.0 0.003 0.003 0.000 4 0 no 0.000 0 0
1 129 GLU QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 129 GLU QG 106 no 0.0 0.0 0.000 0.010 0.010 6 0 no 0.242 0 0
1 131 GLY QA 98 no 100.0 100.0 1.446 1.446 0.000 7 0 no 0.091 0 0
1 133 TYR QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 133 TYR QD 86 yes 100.0 100.0 25.048 25.048 0.000 9 2 no 0.064 0 0
1 133 TYR QE 100 yes 100.0 99.9 10.635 10.643 0.008 7 1 no 0.198 0 0
1 134 LEU QB 27 no 100.0 0.0 0.000 0.002 0.002 18 10 no 0.178 0 0
1 134 LEU QD 1 no 0.0 0.0 0.000 0.007 0.007 38 18 no 0.149 0 0
1 135 ASP QB 117 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.148 0 0
1 136 VAL QG 47 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 137 ASP QB 58 no 65.0 96.6 0.090 0.093 0.003 13 3 no 0.149 0 0
1 138 PRO QB 43 no 100.0 99.6 0.681 0.684 0.003 14 1 no 0.171 0 0
1 138 PRO QD 14 no 100.0 100.0 0.216 0.216 0.000 21 5 no 0.033 0 0
1 140 GLY QA 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 142 ASP QB 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.020 0 0
1 143 GLY QA 96 no 95.0 100.0 0.333 0.333 0.000 8 4 no 0.000 0 0
1 144 GLY QA 122 no 100.0 100.0 1.574 1.574 0.000 5 1 no 0.068 0 0
1 145 ASP QB 76 no 50.0 100.0 0.051 0.051 0.000 10 1 no 0.000 0 0
1 146 GLU QB 57 no 100.0 100.0 1.391 1.391 0.000 13 3 no 0.029 0 0
1 146 GLU QG 39 no 100.0 99.5 1.722 1.731 0.009 15 1 no 0.153 0 0
1 147 VAL QG 4 no 100.0 0.0 0.000 0.001 0.001 30 14 no 0.076 0 0
1 149 LEU QB 13 no 100.0 95.5 1.062 1.111 0.050 21 4 no 0.291 0 0
1 149 LEU QD 2 no 0.0 0.0 0.000 2.267 2.267 34 26 yes 1.505 1 1
1 150 ASP QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 PHE QB 73 no 40.0 94.7 0.089 0.094 0.005 11 0 no 0.188 0 0
1 151 PHE QD 19 no 100.0 99.4 35.918 36.132 0.214 19 6 yes 2.057 1 1
1 151 PHE QE 26 no 100.0 99.8 18.152 18.189 0.037 18 8 no 0.334 0 0
1 152 ASN QB 150 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 153 LEU QB 116 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 153 LEU QD 16 no 100.0 0.0 0.000 0.156 0.156 20 10 no 0.865 0 3
1 155 TYR QD 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 PHE QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 158 PHE QD 102 no 95.0 95.1 22.274 23.411 1.137 7 4 yes 1.879 1 1
1 158 PHE QE 115 no 95.0 93.8 20.267 21.609 1.343 6 4 yes 1.348 2 3
1 159 CYS QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 161 TYR QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 161 TYR QD 61 yes 100.0 95.7 11.985 12.525 0.540 13 4 yes 3.263 1 1
1 161 TYR QE 65 yes 95.0 89.3 10.373 11.617 1.244 13 7 yes 4.016 2 2
1 164 SER QB 145 no 100.0 0.0 0.000 4.601 4.601 4 2 no 0.000 0 0
1 165 PHE QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 165 PHE QD 113 no 55.0 58.8 4.166 7.082 2.917 6 2 yes 2.683 35 41
1 166 SER QB 149 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 167 CYS QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 169 LEU QD 21 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.053 0 0
1 171 PRO QB 103 no 60.0 99.6 0.360 0.362 0.001 6 0 no 0.127 0 0
1 173 ASP QB 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 174 ASN QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 176 VAL QG 6 no 0.0 0.0 0.000 1.359 1.359 30 22 no 0.878 0 1
1 180 ILE QG 75 no 75.0 100.0 0.352 0.352 0.000 11 3 no 0.000 0 0
1 186 VAL QG 66 no 0.0 0.0 0.000 0.028 0.028 12 0 no 0.488 0 0
1 187 ASP QB 92 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.043 0 0
1 189 ASP QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 190 LEU QB 46 no 100.0 99.5 0.697 0.700 0.004 14 4 no 0.255 0 0
1 190 LEU QD 33 no 100.0 100.0 4.636 4.636 0.000 17 6 no 0.043 0 0
1 191 GLU QG 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
stop_
save_
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