Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
545395 | 2lpu RC | 18277 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lpu
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 185
_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 0.065
_Stereo_assign_list.Total_e_high_states 184.669
_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 6 MET QB 152 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.121 0 0
1 7 LEU QD 7 no 100.0 99.7 2.543 2.549 0.007 24 7 no 0.352 0 0
1 9 LEU QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 9 LEU QD 47 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.019 0 0
1 11 GLU QB 19 no 100.0 100.0 1.584 1.585 0.000 15 2 no 0.028 0 0
1 11 GLU QG 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 TYR QB 52 no 100.0 100.0 1.846 1.846 0.000 11 2 no 0.022 0 0
1 13 ASN QB 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.023 0 0
1 13 ASN QD 157 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.014 0 0
1 14 GLU QB 78 no 100.0 100.0 0.893 0.893 0.000 8 0 no 0.033 0 0
1 15 GLN QB 156 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 15 GLN QE 66 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.007 0 0
1 15 GLN QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 ILE QG 90 no 100.0 100.0 0.596 0.596 0.000 7 0 no 0.000 0 0
1 17 PRO QD 77 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.026 0 0
1 17 PRO QG 183 no 100.0 100.0 0.718 0.718 0.000 2 0 no 0.000 0 0
1 18 ASN QB 112 no 0.0 0.0 0.000 0.001 0.001 6 0 no 0.051 0 0
1 18 ASN QD 31 no 100.0 100.0 0.390 0.390 0.000 13 1 no 0.023 0 0
1 19 VAL QG 6 no 100.0 100.0 13.327 13.328 0.000 24 1 no 0.040 0 0
1 20 ARG QB 18 no 100.0 100.0 2.642 2.642 0.000 17 7 no 0.028 0 0
1 20 ARG QD 14 no 100.0 100.0 0.947 0.947 0.000 19 8 no 0.028 0 0
1 20 ARG QG 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 21 SER QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.017 0 0
1 22 LEU QB 46 no 100.0 100.0 0.534 0.534 0.000 12 4 no 0.017 0 0
1 22 LEU QD 27 no 100.0 0.0 0.000 0.004 0.004 14 4 no 0.107 0 0
1 23 LEU QB 122 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.038 0 0
1 23 LEU QD 87 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.079 0 0
1 25 LYS QG 110 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
1 26 TRP QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 28 LYS QB 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.022 0 0
1 28 LYS QG 76 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.050 0 0
1 29 VAL QG 3 no 100.0 100.0 25.411 25.411 0.000 30 4 no 0.039 0 0
1 30 GLU QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 GLU QG 108 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.013 0 0
1 31 ARG QD 107 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
1 31 ARG QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 ILE QG 158 no 100.0 100.0 1.336 1.336 0.000 3 0 no 0.000 0 0
1 33 GLN QB 117 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 33 GLN QE 118 no 100.0 100.0 1.444 1.444 0.000 6 3 no 0.005 0 0
1 33 GLN QG 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 34 ASP QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 35 VAL QG 5 no 100.0 100.0 10.170 10.171 0.001 28 7 no 0.097 0 0
1 36 GLN QB 116 no 100.0 0.0 0.000 0.002 0.002 6 2 no 0.090 0 0
1 36 GLN QE 92 no 100.0 100.0 1.360 1.360 0.000 7 2 no 0.008 0 0
1 36 GLN QG 147 no 0.0 0.0 0.000 0.002 0.002 4 0 no 0.136 0 0
1 37 ASP QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 GLY QA 155 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 39 LEU QB 16 no 100.0 100.0 3.803 3.803 0.000 18 5 no 0.025 0 0
1 39 LEU QD 30 no 100.0 0.0 0.000 0.000 0.000 14 10 no 0.030 0 0
1 40 GLN QB 121 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.005 0 0
1 40 GLN QE 38 no 100.0 99.8 1.136 1.138 0.002 12 0 no 0.071 0 0
1 40 GLN QG 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 41 LEU QD 61 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.022 0 0
1 42 ASP QB 60 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.059 0 0
1 43 VAL QG 11 no 100.0 0.0 0.000 0.000 0.000 22 4 no 0.039 0 0
1 44 ARG QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 44 ARG QD 75 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.011 0 0
1 44 ARG QG 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 45 LEU QB 37 no 100.0 100.0 1.165 1.165 0.000 13 4 no 0.021 0 0
1 45 LEU QD 45 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.016 0 0
1 46 LYS QB 106 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.027 0 0
1 46 LYS QD 145 no 100.0 100.0 4.031 4.031 0.000 4 0 no 0.024 0 0
1 46 LYS QE 44 no 100.0 100.0 0.263 0.263 0.000 12 4 no 0.023 0 0
1 46 LYS QG 65 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.023 0 0
1 48 ASP QB 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.007 0 0
1 50 LEU QB 15 no 100.0 100.0 4.345 4.345 0.000 19 9 no 0.040 0 0
1 50 LEU QD 29 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.028 0 0
1 51 LEU QB 70 no 100.0 100.0 2.216 2.216 0.000 9 2 no 0.017 0 0
1 51 LEU QD 39 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.070 0 0
1 52 GLU QB 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.048 0 0
1 52 GLU QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.027 0 0
1 53 LEU QB 86 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.026 0 0
1 53 LEU QD 26 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.079 0 0
1 54 HIS QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 56 TYR QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 57 TYR QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 ASP QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 HIS QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 60 VAL QG 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 61 TYR QB 71 no 100.0 100.0 1.646 1.646 0.000 9 3 no 0.003 0 0
1 62 HIS QB 89 no 100.0 100.0 1.611 1.611 0.000 7 0 no 0.000 0 0
1 63 VAL QG 4 no 100.0 100.0 14.033 14.034 0.000 30 9 no 0.029 0 0
1 64 PRO QD 43 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 64 PRO QG 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.050 0 0
1 65 SER QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 67 LYS QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 67 LYS QD 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.033 0 0
1 67 LYS QG 142 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.092 0 0
1 68 PHE QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 69 ARG QB 51 no 100.0 100.0 1.035 1.035 0.000 11 2 no 0.011 0 0
1 69 ARG QD 85 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.027 0 0
1 69 ARG QG 102 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.039 0 0
1 70 LEU QB 72 no 100.0 100.0 0.382 0.382 0.000 9 4 no 0.000 0 0
1 70 LEU QD 25 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.049 0 0
1 71 TRP QB 2 no 100.0 100.0 3.563 3.563 0.000 32 13 no 0.024 0 0
1 72 SER QB 84 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.009 0 0
1 73 LEU QB 42 no 100.0 100.0 3.121 3.122 0.001 12 4 no 0.040 0 0
1 73 LEU QD 83 no 100.0 0.0 0.000 0.009 0.009 8 4 no 0.079 0 0
1 74 ASP QB 36 no 100.0 100.0 1.802 1.802 0.000 13 4 no 0.020 0 0
1 76 GLU QB 54 no 100.0 100.0 1.070 1.070 0.000 11 4 no 0.004 0 0
1 76 GLU QG 115 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.004 0 0
1 77 GLU QB 114 no 100.0 99.9 1.214 1.214 0.001 6 2 no 0.058 0 0
1 77 GLU QG 64 no 100.0 99.9 0.597 0.597 0.000 10 4 no 0.034 0 0
1 78 ASP QB 74 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.069 0 0
1 79 ILE QG 68 no 100.0 100.0 0.296 0.296 0.000 9 0 no 0.000 0 0
1 80 SER QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 81 SER QB 82 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.011 0 0
1 82 LEU QB 48 no 100.0 99.9 0.600 0.600 0.001 12 7 no 0.031 0 0
1 82 LEU QD 10 no 100.0 100.0 2.541 2.542 0.001 23 9 no 0.049 0 0
1 83 ARG QB 63 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.073 0 0
1 83 ARG QD 120 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.073 0 0
1 84 LEU QB 81 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 84 LEU QD 9 no 100.0 0.0 0.000 0.001 0.001 24 10 no 0.054 0 0
1 85 LEU QB 91 no 100.0 100.0 0.901 0.901 0.000 7 2 no 0.000 0 0
1 85 LEU QD 13 no 100.0 100.0 6.790 6.790 0.000 21 6 no 0.014 0 0
1 87 LEU QD 22 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.029 0 0
1 88 SER QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 ASP QB 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 91 GLU QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.006 0 0
1 91 GLU QG 49 no 100.0 100.0 1.288 1.288 0.000 11 0 no 0.008 0 0
1 92 LEU QB 35 no 100.0 100.0 0.858 0.858 0.000 13 4 no 0.050 0 0
1 92 LEU QD 41 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.057 0 0
1 93 ARG QB 59 no 100.0 100.0 0.896 0.896 0.000 10 0 no 0.019 0 0
1 93 ARG QD 165 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.093 0 0
1 94 SER QB 101 no 100.0 100.0 0.753 0.753 0.000 6 0 no 0.000 0 0
1 95 ILE QG 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.066 0 0
1 96 LEU QB 34 no 100.0 100.0 2.207 2.207 0.000 13 4 no 0.046 0 0
1 96 LEU QD 12 no 100.0 100.0 4.424 4.424 0.000 21 5 no 0.027 0 0
1 97 ASN QB 28 no 100.0 100.0 0.660 0.660 0.000 14 5 no 0.000 0 0
1 97 ASN QD 8 no 100.0 100.0 1.882 1.883 0.001 24 8 no 0.062 0 0
1 98 LEU QB 62 no 100.0 100.0 1.361 1.361 0.000 10 4 no 0.000 0 0
1 98 LEU QD 24 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.040 0 0
1 103 VAL QG 73 no 0.0 0.0 0.000 0.000 0.000 8 0 no 0.017 0 0
1 105 LEU QB 80 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.002 0 0
1 105 LEU QD 40 no 0.0 0.0 0.000 0.000 0.000 12 4 no 0.011 0 0
1 106 SER QB 21 no 100.0 100.0 2.023 2.023 0.000 14 0 no 0.009 0 0
1 108 ASP QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 109 MET QG 99 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 110 GLU QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 111 MET QB 164 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.190 0 0
1 111 MET QG 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 LYS QB 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 LYS QG 67 no 100.0 100.0 0.614 0.614 0.000 9 0 no 0.000 0 0
1 113 SER QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 114 VAL QG 58 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.012 0 0
1 115 TYR QB 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 116 TYR QB 88 no 100.0 100.0 1.794 1.794 0.000 7 0 no 0.012 0 0
1 117 TYR QB 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 118 ILE QG 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.005 0 0
1 119 ASN QB 57 no 100.0 100.0 0.417 0.417 0.000 10 0 no 0.000 0 0
1 119 ASN QD 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.006 0 0
1 120 ASN QD 154 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.010 0 0
1 122 ASP QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 126 ASN QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 126 ASN QD 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
1 127 VAL QG 23 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.047 0 0
1 129 SER QB 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.016 0 0
1 130 ASP QB 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.069 0 0
1 131 VAL QG 56 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.049 0 0
1 132 GLU QB 123 no 100.0 100.0 1.128 1.128 0.000 5 0 no 0.007 0 0
1 132 GLU QG 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 134 TYR QB 33 no 100.0 99.9 2.586 2.588 0.002 13 4 no 0.098 0 0
1 135 LEU QD 1 no 100.0 100.0 13.271 13.273 0.002 35 6 no 0.056 0 0
1 137 ARG QB 94 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 137 ARG QD 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.018 0 0
1 138 TRP QB 20 no 100.0 99.7 0.744 0.746 0.002 15 3 no 0.141 0 0
1 139 ILE QG 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 140 SER QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 LEU QB 128 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.256 0 0
1 141 LEU QD 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 142 TYR QB 93 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.065 0 0
1 143 ILE QG 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 144 ARG QB 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
1 144 ARG QD 79 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.054 0 0
1 144 ARG QG 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 ILE QG 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.021 0 0
1 146 PHE QB 50 no 100.0 100.0 1.084 1.085 0.000 11 1 no 0.035 0 0
1 147 ASP QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 148 LEU QB 53 no 100.0 100.0 3.122 3.122 0.000 11 4 no 0.054 0 0
1 148 LEU QD 17 no 100.0 100.0 14.276 14.276 0.000 18 9 no 0.029 0 0
1 149 ASN QB 69 no 100.0 100.0 2.565 2.565 0.000 9 2 no 0.002 0 0
1 149 ASN QD 153 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 150 PHE QB 55 no 100.0 100.0 1.561 1.561 0.000 10 0 no 0.038 0 0
1 151 VAL QG 32 no 100.0 100.0 1.189 1.189 0.000 13 4 no 0.004 0 0
1 152 PRO QD 119 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
stop_
save_