NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
448146 2nmb 4263 cing 4-filtered-FRED Wattos check stereo assignment distance


data_2nmb


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        175
    _Stereo_assign_list.Swap_count           26
    _Stereo_assign_list.Swap_percentage      14.9
    _Stereo_assign_list.Deassign_count       46
    _Stereo_assign_list.Deassign_percentage  26.3
    _Stereo_assign_list.Model_count          14
    _Stereo_assign_list.Total_e_low_states   98.010
    _Stereo_assign_list.Total_e_high_states  308.631
    _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  14 LYS QB 175 no  100.0   0.0  0.000  0.000 0.000  1  1 no  0.000  0  0 
       1  14 LYS QD 163 no  100.0   0.0  0.000  0.000 0.000  1  0 no  0.000  0  0 
       1  14 LYS QG  67 yes  78.6  63.0  0.209  0.331 0.122 10  2 yes 1.025  1  2 
       1  15 PRO QB 110 no   50.0  93.0  0.115  0.123 0.009  4  1 no  0.193  0  0 
       1  16 HIS QB 103 no  100.0   0.0  0.000  0.000 0.000  5  0 no  0.000  0  0 
       1  17 GLN QB 107 no  100.0   0.0  0.000  0.000 0.000  5  2 no  0.000  0  0 
       1  17 GLN QE 115 no  100.0   0.0  0.000  0.000 0.000  4  2 no  0.000  0  0 
       1  17 GLN QG  99 no   21.4  41.6  0.005  0.012 0.007  6  3 no  0.319  0  0 
       1  18 TRP QB  56 no   71.4  17.0  0.134  0.789 0.655 12  0 yes 1.461  5  5 
       1  19 GLN QB  64 no  100.0  99.9  1.444  1.445 0.001 11  3 no  0.056  0  0 
       1  21 ASP QB  70 no   57.1  41.0  0.258  0.630 0.372 10  5 yes 1.024  1  7 
       1  23 GLU QB 136 no  100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1  23 GLU QG  98 no   92.9  68.7  0.009  0.013 0.004  6  3 no  0.415  0  0 
       1  25 VAL QG   4 no   50.0  24.9  2.256  9.046 6.790 44 22 yes 2.625 47 78 
       1  26 ARG QB  41 no   78.6  61.3  1.455  2.373 0.918 15  3 yes 1.174  2  4 
       1  26 ARG QG 162 no  100.0   0.0  0.000  0.000 0.000  1  0 no  0.000  0  0 
       1  27 SER QB  95 no   50.0  25.2  0.008  0.030 0.022  6  0 no  0.343  0  0 
       1  30 CYS QB  26 yes  78.6  62.7  2.635  4.203 1.568 23 10 yes 1.026  1 11 
       1  31 SER QB  39 no   64.3   5.9  0.022  0.376 0.354 18  8 no  0.422  0  0 
       1  32 PHE QB  66 no   85.7  75.4  0.419  0.556 0.137 10  1 no  0.838  0  3 
       1  34 VAL QG  13 no   71.4  56.0  5.965 10.661 4.696 34 12 yes 2.029 51 80 
       1  35 LYS QB  27 yes 100.0  70.5  0.782  1.109 0.327 23 13 no  0.306  0  0 
       1  35 LYS QD 144 no    7.1  37.7  0.000  0.000 0.000  2  1 no  0.041  0  0 
       1  36 TYR QB  72 no   85.7  48.3  0.139  0.287 0.149 10  6 no  0.721  0  1 
       1  37 LEU QB 119 no   28.6  17.2  0.001  0.007 0.006  4  3 no  0.000  0  0 
       1  37 LEU QD  18 no   71.4  55.4  4.407  7.949 3.543 28 12 yes 2.215 42 84 
       1  38 GLY QA  75 no  100.0 100.0  0.000  0.000 0.000  9  3 no  0.072  0  0 
       1  39 CYS QB  77 no   42.9  75.6  0.433  0.572 0.139  9  5 no  0.587  0  2 
       1  40 VAL QG   3 no   71.4  58.4  4.640  7.952 3.312 46 32 yes 2.087 15 20 
       1  41 GLU QB 143 no  100.0   0.0  0.000  0.000 0.000  2  1 no  0.000  0  0 
       1  42 VAL QG   1 no  100.0  90.4 13.710 15.164 1.454 52 23 yes 1.839  8  8 
       1  43 PHE QB  94 no  100.0   0.0  0.000  0.000 0.000  6  0 no  0.000  0  0 
       1  44 GLU QB  69 no  100.0  99.9  1.241  1.242 0.001 10  4 no  0.071  0  0 
       1  44 GLU QG 174 no   42.9   2.5  0.000  0.001 0.001  1  1 no  0.061  0  0 
       1  45 SER QB  49 no   42.9  13.8  0.247  1.784 1.538 13  3 yes 1.668  8 16 
       1  46 ARG QB  85 no   78.6  80.6  0.095  0.118 0.023  7  1 no  0.608  0  1 
       1  46 ARG QG 153 no   35.7   4.5  0.014  0.310 0.296  2  2 no  0.000  0  0 
       1  47 GLY QA  96 no  100.0 100.0  0.883  0.883 0.000  6  1 no  0.031  0  0 
       1  48 MET QB 106 no  100.0  93.5  0.005  0.005 0.000  5  2 no  0.245  0  0 
       1  48 MET QG  63 no  100.0 100.0  1.295  1.295 0.000 11  3 no  0.015  0  0 
       1  49 GLN QB  43 no   28.6  37.7  0.033  0.088 0.055 15  6 no  0.612  0  3 
       1  50 VAL QG   9 no  100.0  99.9 18.498 18.513 0.014 40 27 no  0.185  0  0 
       1  51 CYS QB  31 no   64.3  55.9  0.027  0.048 0.021 21  8 no  0.381  0  0 
       1  52 GLU QB 124 no   71.4  25.7  0.003  0.012 0.009  3  1 no  0.180  0  0 
       1  52 GLU QG  93 no   64.3  10.9  0.018  0.167 0.149  6  0 yes 1.167  1  2 
       1  53 GLU QB 152 no   28.6 100.0  0.012  0.012 0.000  2  2 no  0.000  0  0 
       1  53 GLU QG  76 no  100.0  98.6  1.392  1.412 0.020  9  5 no  0.409  0  0 
       1  55 LEU QB  38 no  100.0  92.5  0.401  0.433 0.033 18  6 no  0.181  0  0 
       1  55 LEU QD  55 no   50.0  18.6  0.084  0.453 0.368 13  9 yes 1.482  1  1 
       1  56 LYS QB 142 no  100.0   0.0  0.000  0.000 0.000  2  1 no  0.000  0  0 
       1  56 LYS QD  37 yes  85.7  75.3  2.378  3.158 0.780 19 13 yes 1.316  2  4 
       1  56 LYS QE 109 no  100.0   0.0  0.000  0.000 0.000  5  4 no  0.000  0  0 
       1  56 LYS QG 114 no   78.6  76.4  0.001  0.001 0.000  4  2 no  0.051  0  0 
       1  57 VAL QG   2 no  100.0  97.5 15.122 15.504 0.382 49 33 no  0.947  0  4 
       1  58 LEU QB 129 no   64.3  12.0  0.009  0.075 0.066  3  3 no  0.000  0  0 
       1  58 LEU QD   6 yes  92.9  80.2  6.026  7.517 1.491 43 16 yes 2.533  6 11 
       1  59 ARG QB 151 no  100.0  35.9  0.091  0.253 0.162  2  2 no  0.000  0  0 
       1  59 ARG QD  97 no   28.6  60.6  0.012  0.019 0.008  6  3 no  0.328  0  0 
       1  60 GLN QB  34 no   50.0   2.4  0.047  1.912 1.866 19  7 yes 1.659  3 22 
       1  60 GLN QE 127 no   50.0 100.0  0.609  0.609 0.000  3  2 no  0.000  0  0 
       1  60 GLN QG  35 no   50.0  69.2  0.284  0.410 0.126 19  9 yes 1.134  1  2 
       1  61 SER QB  30 no   78.6  38.7  0.525  1.357 0.831 21  7 yes 1.106  2  5 
       1  62 ARG QB  73 no   92.9  99.5  0.036  0.036 0.000  9  0 no  0.374  0  0 
       1  62 ARG QD 161 no    7.1 100.0  0.000  0.000 0.000  1  0 no  0.000  0  0 
       1  62 ARG QG 160 no  100.0 100.0  0.001  0.001 0.000  1  0 no  0.092  0  0 
       1  63 ARG QB 126 no  100.0  94.3  0.001  0.001 0.000  3  2 no  0.084  0  0 
       1  63 ARG QG 118 no   14.3  15.5  0.037  0.240 0.203  4  3 no  0.056  0  0 
       1  64 ARG QG 141 no   71.4  35.3  0.001  0.004 0.003  2  1 no  0.000  0  0 
       1  65 PRO QB  59 yes  92.9  19.0  0.326  1.718 1.393 12  7 no  0.904  0  5 
       1  65 PRO QG 120 no   92.9  75.7  5.038  6.654 1.615  4  4 no  0.079  0  0 
       1  66 VAL QG  11 yes  85.7  83.8  6.304  7.526 1.222 37 16 yes 1.990  4 11 
       1  67 ARG QB  46 yes  92.9  99.9  1.062  1.063 0.001 14  4 no  0.106  0  0 
       1  67 ARG QG 173 no    7.1  62.1  0.012  0.019 0.007  1  1 no  0.285  0  0 
       1  68 GLY QA  80 yes 100.0 100.0  0.509  0.509 0.000  8  0 no  0.028  0  0 
       1  69 LEU QB 172 no  100.0   0.0  0.000  0.000 0.000  1  1 no  0.000  0  0 
       1  69 LEU QD  17 no   71.4  63.1  5.545  8.790 3.245 29 17 yes 2.236 15 21 
       1  70 LEU QB 128 no   92.9  87.0  0.008  0.009 0.001  3  3 no  0.106  0  0 
       1  70 LEU QD  15 no   64.3  46.4  1.262  2.717 1.456 31 21 yes 1.273  8 21 
       1  71 HIS QB 123 no  100.0 100.0  0.000  0.000 0.000  3  1 no  0.046  0  0 
       1  72 VAL QG   8 no   92.9  75.8  8.506 11.229 2.723 42 20 yes 2.308  3  7 
       1  73 SER QB 150 no   14.3  92.1  0.000  0.000 0.000  2  2 no  0.000  0  0 
       1  74 GLY QA  28 yes 100.0  74.6  0.539  0.722 0.183 22  6 no  0.052  0  0 
       1  75 ASP QB 104 no   35.7  28.7  0.004  0.015 0.011  5  1 no  0.312  0  0 
       1  76 GLY QA  65 yes 100.0 100.0  2.658  2.658 0.000 11  4 no  0.011  0  0 
       1  77 LEU QB  82 no   64.3  34.8  0.007  0.020 0.013  8  4 no  0.259  0  0 
       1  77 LEU QD  14 no   57.1  28.6  3.714 13.009 9.295 33 19 yes 2.741 26 32 
       1  78 ARG QB  71 no  100.0  97.5  0.026  0.027 0.001 10  6 no  0.067  0  0 
       1  78 ARG QG 149 no  100.0   0.0  0.000  0.000 0.000  2  2 no  0.000  0  0 
       1  79 VAL QG   5 yes 100.0  99.5 11.404 11.462 0.058 44 24 no  0.546  0  1 
       1  80 VAL QG  12 no   64.3  71.1 10.796 15.184 4.388 36 18 yes 2.372 18 32 
       1  81 ASP QB  25 no   64.3  14.5  0.187  1.292 1.105 23  8 yes 1.017  2 17 
       1  82 ASP QB 148 no    7.1  44.4  0.007  0.015 0.008  2  2 no  0.000  0  0 
       1  83 GLU QB 140 no   92.9  94.9  1.653  1.742 0.089  2  1 yes 1.119  1  1 
       1  83 GLU QG 171 no  100.0   0.0  0.000  0.000 0.000  1  1 no  0.000  0  0 
       1  85 LYS QB  54 yes  92.9  28.7  0.223  0.777 0.554 13  8 no  0.000  0  0 
       1  85 LYS QD  22 yes  92.9  79.6  0.730  0.917 0.187 26 17 yes 1.424  1  2 
       1  85 LYS QE 147 no  100.0   0.0  0.000  0.000 0.000  2  2 no  0.000  0  0 
       1  85 LYS QG  40 no  100.0  97.3  0.487  0.500 0.013 18 13 no  0.109  0  0 
       1  86 GLY QA  92 no   64.3  56.7  0.022  0.039 0.017  6  0 no  0.236  0  0 
       1  87 LEU QB  45 no   85.7  86.3  0.151  0.175 0.024 15 11 no  0.158  0  0 
       1  87 LEU QD  21 no  100.0  84.9  9.134 10.759 1.625 27 18 yes 1.764  6 14 
       1  88 ILE QG 122 no  100.0 100.0  0.068  0.068 0.000  3  1 no  0.718  0  1 
       1  89 VAL QG   7 no  100.0  88.8  8.102  9.123 1.021 43 25 yes 1.483  6 12 
       1  90 ASP QB  89 no   57.1  39.7  0.202  0.507 0.306  7  4 no  0.099  0  0 
       1  93 ILE QG  33 no  100.0  59.1  3.508  5.933 2.425 19  4 no  0.076  0  0 
       1  94 GLU QB  48 no   28.6  26.3  0.196  0.746 0.550 13  1 yes 1.779  3  6 
       1  94 GLU QG 139 no   35.7  85.6  0.186  0.218 0.031  2  1 no  0.522  0  1 
       1  96 VAL QG  16 no   57.1  24.2  1.642  6.799 5.157 30 10 yes 2.003 13 29 
       1  99 CYS QB 100 no   50.0  53.6  0.034  0.063 0.029  6  4 no  0.448  0  0 
       1 103 ARG QB 170 no  100.0   0.0  0.000  0.000 0.000  1  1 no  0.000  0  0 
       1 103 ARG QD  74 no   71.4  83.1  0.090  0.108 0.018  9  2 no  0.320  0  0 
       1 103 ARG QG 105 no   64.3  72.8  0.026  0.035 0.010  5  2 no  0.523  0  1 
       1 104 ASN QB 108 no   71.4  60.7  0.173  0.285 0.112  5  3 no  0.448  0  0 
       1 105 HIS QB  84 no   85.7  76.9  0.774  1.006 0.232  7  1 yes 1.743  1  1 
       1 106 GLU QB  88 no   71.4  53.4  0.713  1.334 0.621  7  3 yes 1.225  6 24 
       1 107 ARG QD 117 no   57.1  28.1  0.022  0.078 0.056  4  3 no  0.538  0  2 
       1 107 ARG QG 113 no  100.0   0.0  0.000  0.000 0.000  4  2 no  0.000  0  0 
       1 108 GLY QA 125 no   78.6  83.9  0.002  0.002 0.000  3  2 no  0.000  0  0 
       1 109 PHE QB  79 no   50.0   7.0  0.012  0.174 0.162  8  0 no  0.717  0  4 
       1 110 SER QB 135 no  100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1 111 TYR QB  90 yes 100.0  98.8  0.924  0.935 0.011  7  5 no  0.000  0  0 
       1 112 ILE QG 112 no  100.0 100.0  0.399  0.399 0.000  4  2 no  0.002  0  0 
       1 113 CYS QB 169 no   14.3  16.9  0.002  0.013 0.011  1  1 no  0.204  0  0 
       1 114 ARG QB 168 no   78.6  64.3  0.054  0.084 0.030  1  1 no  0.000  0  0 
       1 114 ARG QD 159 no   14.3  98.6  0.095  0.096 0.001  1  0 no  0.087  0  0 
       1 114 ARG QG 158 no  100.0   0.0  0.000  0.000 0.000  1  0 no  0.000  0  0 
       1 115 ASP QB 102 no   28.6  17.5  0.079  0.450 0.371  5  0 yes 1.314  4  4 
       1 116 GLY QA 101 no   28.6 100.0  0.039  0.039 0.000  5  0 no  0.007  0  0 
       1 120 ARG QD 157 no    7.1 100.0  0.000  0.000 0.000  1  0 no  0.000  0  0 
       1 120 ARG QG 111 yes 100.0  88.1  1.849  2.098 0.249  4  2 no  0.000  0  0 
       1 121 TRP QB 116 no   71.4 100.0  0.019  0.019 0.000  4  3 no  0.000  0  0 
       1 122 MET QB  87 no   71.4  96.2  0.062  0.064 0.002  7  2 no  0.117  0  0 
       1 122 MET QG 138 no  100.0   0.0  0.000  0.000 0.000  2  1 no  0.000  0  0 
       1 123 CYS QB 146 yes 100.0 100.0  0.261  0.261 0.000  2  2 no  0.000  0  0 
       1 124 HIS QB  51 yes 100.0  98.8  1.882  1.905 0.023 13  6 no  0.097  0  0 
       1 125 GLY QA  36 no  100.0  86.4  0.692  0.801 0.109 19 10 no  0.204  0  0 
       1 126 PHE QB  60 no   71.4  67.1  0.181  0.270 0.089 12 10 no  0.538  0  2 
       1 127 LEU QB  53 yes  92.9  43.0  0.582  1.353 0.771 13  8 no  0.587  0  1 
       1 127 LEU QD  29 no   57.1   9.0  0.340  3.764 3.424 22  9 yes 1.931 16 32 
       1 129 CYS QB  32 no   57.1  16.9  0.046  0.272 0.226 20  8 no  0.734  0  6 
       1 130 LYS QB  62 no  100.0  92.1  0.057  0.061 0.005 11  3 no  0.249  0  0 
       1 130 LYS QG 134 no   35.7  52.7  0.002  0.003 0.001  2  0 no  0.080  0  0 
       1 131 ASP QB  83 no   92.9  64.5  1.740  2.699 0.959  7  1 no  0.691  0  1 
       1 132 SER QB  57 no   71.4  14.9  0.215  1.443 1.228 12  1 yes 1.434  8 19 
       1 133 GLY QA  91 yes 100.0 100.0  0.141  0.141 0.000  6  0 no  0.000  0  0 
       1 135 ARG QD 156 no  100.0   0.0  0.000  0.000 0.000  1  0 no  0.000  0  0 
       1 136 LEU QB 167 no  100.0   0.0  0.000  0.000 0.000  1  1 no  0.000  0  0 
       1 136 LEU QD  20 no   71.4  43.8  1.911  4.367 2.456 27 11 yes 2.041  7 15 
       1 137 SER QB 133 no  100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1 138 HIS QB  78 no   71.4  57.1  0.217  0.379 0.163  8  0 yes 1.235  3  7 
       1 140 VAL QG  10 yes  92.9  86.9  6.996  8.053 1.058 39 21 yes 1.325  3  5 
       1 141 GLY QA  81 no  100.0  99.7  0.124  0.124 0.000  8  2 no  0.040  0  0 
       1 142 CYS QB  24 no   50.0   3.9  0.049  1.249 1.200 24 10 yes 1.041  1  9 
       1 144 PHE QB  86 no  100.0 100.0  1.821  1.821 0.000  7  2 no  0.027  0  0 
       1 146 VAL QG  23 yes  78.6  50.5  4.015  7.953 3.938 25 12 yes 1.976 14 20 
       1 147 CYS QB 166 no  100.0   0.0  0.000  0.000 0.000  1  1 no  0.000  0  0 
       1 148 LEU QB 165 no   14.3  56.5  0.016  0.028 0.012  1  1 no  0.000  0  0 
       1 148 LEU QD  19 no   64.3  33.2  2.703  8.133 5.430 27  7 yes 2.187 38 59 
       1 149 GLU QB  68 yes  78.6  72.8  2.427  3.335 0.908 10  4 yes 1.357  3  5 
       1 150 ARG QB 121 no   50.0   1.1  0.008  0.729 0.721  3  1 no  0.376  0  0 
       1 151 LYS QB 155 no  100.0   0.0  0.000  0.000 0.000  1  0 no  0.000  0  0 
       1 151 LYS QD 164 no   71.4  36.3  0.238  0.654 0.417  1  1 no  0.000  0  0 
       1 152 GLN QB 132 no   35.7  65.9  0.003  0.004 0.001  2  0 no  0.101  0  0 
       1 152 GLN QE 131 no  100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1 153 ARG QG  58 no   50.0  10.5  0.048  0.456 0.408 12  3 yes 1.510  3  3 
       1 154 ARG QB 154 no   92.9  95.8  0.058  0.061 0.003  1  0 no  0.593  0  1 
       1 154 ARG QG 145 no  100.0   0.0  0.000  0.000 0.000  2  2 no  0.000  0  0 
       2   2 TYR QB  61 no  100.0 100.0  0.813  0.813 0.000 11  1 no  0.035  0  0 
       2   3 ILE QG  47 no   50.0  43.9  0.217  0.494 0.277 14  6 no  0.977  0  3 
       2   4 GLY QA  42 no   71.4  72.6  0.557  0.767 0.210 15  6 yes 1.520  2 11 
       2   5 PRO QB  50 yes  85.7  97.9  1.666  1.702 0.036 13  4 no  0.529  0  1 
       2   5 PRO QD  44 yes 100.0  97.3  0.959  0.985 0.026 15 11 no  0.020  0  0 
       2   5 PRO QG  52 no  100.0  95.2  0.816  0.857 0.041 13  8 no  0.523  0  1 
       2   7 LEU QB 137 yes  92.9  99.9  0.115  0.115 0.000  2  1 no  0.035  0  0 
       2   7 LEU QD 130 no   78.6  77.1  0.653  0.848 0.194  2  0 yes 1.312  1  2 
    stop_

save_



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