NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type subtype subsubtype
382283 1jcu 5051 cing recoord 4-filtered-FRED Wattos check stereo assignment distance


data_1jcu


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        179
    _Stereo_assign_list.Swap_count           26
    _Stereo_assign_list.Swap_percentage      14.5
    _Stereo_assign_list.Deassign_count       22
    _Stereo_assign_list.Deassign_percentage  12.3
    _Stereo_assign_list.Model_count          20
    _Stereo_assign_list.Total_e_low_states   13.223
    _Stereo_assign_list.Total_e_high_states  89.964
    _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   1 MET QB 149 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1   2 LEU QB  83 no   35.0  38.5  0.012  0.030 0.019  4 0 no  0.311  0  0 
       1   2 LEU QD 179 no   20.0   8.0  0.002  0.026 0.024  1 0 no  0.467  0  0 
       1   4 ARG QB 104 no   95.0  99.5  0.046  0.047 0.000  3 0 no  0.504  0  1 
       1   4 ARG QG 178 no   25.0  59.6  0.010  0.016 0.007  1 0 no  0.296  0  0 
       1   5 LYS QB 148 yes 100.0 100.0  0.762  0.762 0.000  2 0 no  0.039  0  0 
       1   5 LYS QE 147 no   95.0  57.8  0.003  0.005 0.002  2 0 no  0.204  0  0 
       1   5 LYS QG  43 no   60.0  99.7  0.394  0.395 0.001  5 0 no  0.144  0  0 
       1   6 ILE QG  82 no  100.0   0.0  0.000  0.000 0.000  4 0 no  0.034  0  0 
       1   8 ARG QB 146 no   90.0  44.4  0.002  0.005 0.003  2 0 no  0.220  0  0 
       1  13 PRO QB 145 no   15.0  97.5  0.013  0.014 0.000  2 0 no  0.083  0  0 
       1  14 ASP QB  81 no   80.0  29.9  0.002  0.006 0.004  4 0 no  0.203  0  0 
       1  15 VAL QG   5 yes 100.0 100.0  1.423  1.423 0.000 10 0 no  0.030  0  0 
       1  16 LEU QB  20 no   65.0  95.6  0.722  0.755 0.033  7 0 no  0.303  0  0 
       1  16 LEU QD  19 yes  85.0  96.1  1.183  1.232 0.048  7 0 no  0.865  0  1 
       1  17 GLU QB 144 no   50.0  53.0  0.021  0.039 0.018  2 0 no  0.289  0  0 
       1  17 GLU QG 177 no   30.0  86.2  0.081  0.094 0.013  1 0 no  0.459  0  0 
       1  18 GLU QB 176 no   75.0  63.7  0.298  0.467 0.170  1 0 no  0.847  0  5 
       1  21 SER QB  80 no   95.0  99.4  0.019  0.020 0.000  4 0 no  0.374  0  0 
       1  22 VAL QG  22 no   90.0  58.5  0.000  0.000 0.000  7 4 no  0.060  0  0 
       1  23 MET QB 103 no  100.0   0.0  0.000  0.000 0.000  3 0 no  0.000  0  0 
       1  23 MET QG  79 no   40.0  89.8  0.013  0.014 0.001  4 0 no  0.146  0  0 
       1  24 GLU QB 143 no   95.0  41.9  0.005  0.013 0.007  2 0 no  0.295  0  0 
       1  27 GLY QA 142 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1  29 VAL QG   3 yes 100.0  99.9 10.506 10.516 0.010 14 4 no  0.153  0  0 
       1  31 TYR QB 175 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1  34 ASP QB 141 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1  37 TYR QB 102 no  100.0 100.0  0.000  0.000 0.000  3 0 no  0.035  0  0 
       1  38 GLY QA  42 no  100.0  99.9  0.099  0.099 0.000  5 0 no  0.702  0  3 
       1  39 LEU QB  41 no   80.0  98.9  0.032  0.032 0.000  5 0 no  0.766  0  1 
       1  39 LEU QD  84 no   90.0  65.9  0.119  0.181 0.062  4 2 no  0.965  0  2 
       1  40 GLY QA  29 yes  95.0  99.8  0.485  0.486 0.001  6 0 no  0.073  0  0 
       1  41 VAL QG   8 no   60.0  60.5  1.603  2.651 1.048  9 0 yes 1.915  6 24 
       1  42 ASN QB 101 no  100.0   0.0  0.000  0.000 0.000  3 0 no  0.000  0  0 
       1  44 LEU QB 140 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1  44 LEU QD  12 no   65.0  43.0  0.056  0.130 0.074  8 4 no  0.452  0  0 
       1  45 ASP QB 100 yes 100.0 100.0  1.352  1.352 0.000  3 0 no  0.016  0  0 
       1  46 GLU QB  99 no   75.0  56.9  0.812  1.426 0.614  3 0 yes 1.440  5 10 
       1  47 ASP QB  78 no   60.0  76.1  0.179  0.235 0.056  4 0 yes 0.590  0 11 
       1  49 VAL QG  31 no   70.0   1.9  0.013  0.694 0.681  6 4 no  0.197  0  0 
       1  51 ARG QB 139 yes  90.0  65.9  0.109  0.166 0.057  2 0 no  0.772  0  2 
       1  51 ARG QG  98 no   90.0  99.5  0.098  0.099 0.000  3 0 no  0.055  0  0 
       1  52 LEU QB  97 no   95.0  21.2  0.000  0.002 0.001  3 0 no  0.105  0  0 
       1  52 LEU QD  96 no   50.0  40.5  0.302  0.747 0.445  3 0 yes 1.252  3 13 
       1  53 PHE QB  95 no   20.0  20.1  0.000  0.002 0.001  3 0 no  0.156  0  0 
       1  54 ARG QB  77 no   85.0  76.9  0.535  0.696 0.161  4 0 no  0.729  0  6 
       1  54 ARG QG  94 no   30.0  44.7  0.013  0.028 0.016  3 0 no  0.316  0  0 
       1  55 VAL QG   2 yes  95.0  96.9  2.171  2.241 0.070 14 2 no  0.965  0  2 
       1  56 LYS QB  76 no   45.0  76.5  0.007  0.010 0.002  4 0 no  0.213  0  0 
       1  57 GLY QA 138 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1  63 PRO QB 137 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1  63 PRO QG 174 no   55.0  33.4  0.029  0.088 0.059  1 0 no  0.630  0  3 
       1  64 VAL QG   7 no   95.0  95.3  5.377  5.641 0.264  9 0 yes 1.519  2  4 
       1  65 SER QB  75 no   90.0  74.3  0.009  0.012 0.003  4 0 no  0.302  0  0 
       1  67 CYS QB  40 no   45.0  70.0  0.022  0.031 0.009  5 0 no  0.433  0  0 
       1  68 VAL QG   6 no  100.0 100.0  3.478  3.479 0.001  9 0 no  0.038  0  0 
       1  69 SER QB  39 no  100.0   0.0  0.000  0.000 0.000  5 0 no  0.000  0  0 
       1  70 CYS QB  28 no  100.0 100.0  0.048  0.048 0.000  6 0 no  0.369  0  0 
       1  71 VAL QG  38 yes 100.0 100.0  1.753  1.753 0.000  5 0 no  0.019  0  0 
       1  72 ASP QB 173 no   40.0  65.1  0.056  0.086 0.030  1 0 no  0.560  0  2 
       1  73 GLU QB 136 no  100.0 100.0  0.025  0.025 0.000  2 0 no  0.221  0  0 
       1  73 GLU QG 172 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1  78 SER QB 171 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1  79 ARG QB 170 no   70.0  88.9  0.053  0.060 0.007  1 0 no  0.363  0  0 
       1  79 ARG QG 169 no   70.0  46.7  0.039  0.083 0.044  1 0 no  0.632  0  4 
       1  80 PRO QB 168 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1  81 SER QB 167 no   20.0 100.0  0.001  0.001 0.000  1 0 no  0.000  0  0 
       1  82 GLY QA  18 no  100.0  99.4  0.096  0.096 0.001  7 0 no  0.346  0  0 
       1  83 ASP QB  17 no   40.0  35.4  0.185  0.522 0.337  7 0 no  0.968  0 14 
       1  85 MET QB 135 no   95.0 100.0  0.171  0.171 0.000  2 0 no  0.000  0  0 
       1  85 MET QG 166 no   95.0  81.9  0.088  0.108 0.019  1 0 no  0.614  0  3 
       1  86 GLU QB 134 no   90.0  81.9  0.577  0.705 0.128  2 0 yes 1.089  1  2 
       1  86 GLU QG  93 no   30.0  62.9  0.026  0.041 0.015  3 0 no  0.510  0  1 
       1  87 LEU QB 165 no   40.0 100.0  0.007  0.007 0.000  1 0 no  0.000  0  0 
       1  87 LEU QD  11 no   25.0  97.4  0.008  0.008 0.000  8 4 no  0.027  0  0 
       1  88 MET QB  74 no    5.0  84.1  0.010  0.012 0.002  4 0 no  0.192  0  0 
       1  89 GLU QB 164 no   45.0   4.8  0.013  0.278 0.265  1 0 yes 0.765  0 11 
       1  89 GLU QG  92 no   25.0  56.0  0.020  0.036 0.016  3 0 no  0.414  0  0 
       1  90 ARG QB 133 no   90.0  55.0  0.033  0.061 0.027  2 0 no  0.502  0  1 
       1  90 ARG QG 163 no   45.0  35.4  0.017  0.049 0.032  1 0 no  0.571  0  2 
       1  91 ILE QG  73 no  100.0   0.0  0.000  0.000 0.000  4 0 no  0.000  0  0 
       1  92 LEU QB 162 no   95.0  96.9  0.093  0.096 0.003  1 0 no  0.505  0  1 
       1  92 LEU QD 161 no   75.0  74.2  0.103  0.139 0.036  1 0 no  0.549  0  2 
       1  95 PRO QB 132 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1  95 PRO QG 131 no  100.0 100.0  0.000  0.000 0.000  2 0 no  0.024  0  0 
       1  96 TYR QB  72 no   10.0  86.0  0.002  0.002 0.000  4 0 no  0.073  0  0 
       1  98 VAL QG  71 no   65.0  47.1  0.141  0.298 0.158  4 0 no  0.843  0  9 
       1  99 VAL QG 130 yes 100.0 100.0  2.979  2.979 0.000  2 0 no  0.009  0  0 
       1 100 LEU QB  37 yes  80.0  89.6  0.219  0.244 0.025  5 0 no  0.678  0  1 
       1 100 LEU QD  16 no   50.0  36.9  0.758  2.051 1.294  7 0 yes 2.213 16 18 
       1 101 GLU QB 129 yes  95.0  91.8  0.165  0.179 0.015  2 0 no  0.543  0  1 
       1 101 GLU QG 128 yes 100.0 100.0  0.110  0.110 0.000  2 0 no  0.002  0  0 
       1 102 ARG QB 127 yes  80.0  77.4  0.532  0.687 0.156  2 0 no  1.000  0  4 
       1 103 ASN QB  15 yes  85.0  83.1  0.879  1.057 0.178  7 0 yes 1.234  1  5 
       1 104 GLU QB 126 no    5.0 100.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 105 LEU QB  70 no    5.0 100.0  0.000  0.000 0.000  4 0 no  0.000  0  0 
       1 105 LEU QD  30 no  100.0   0.0  0.000  0.001 0.001  6 4 no  0.056  0  0 
       1 106 ILE QG 125 no   85.0  37.2  0.001  0.002 0.001  2 0 no  0.129  0  0 
       1 108 ASP QB  69 no   60.0  40.8  0.004  0.009 0.005  4 0 no  0.216  0  0 
       1 109 VAL QG  10 no   55.0  24.6  0.186  0.755 0.570  8 4 yes 1.756  4  9 
       1 110 ILE QG 124 yes  85.0  69.7  0.369  0.529 0.160  2 0 no  0.967  0  4 
       1 112 GLY QA 123 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 115 SER QB 160 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1 116 ARG QB 122 yes  95.0  93.2  0.941  1.010 0.069  2 0 yes 1.067  1  1 
       1 116 ARG QG 121 no   95.0 100.0  0.301  0.301 0.000  2 0 no  0.000  0  0 
       1 117 VAL QG   4 no  100.0 100.0  9.617  9.617 0.001 10 0 no  0.054  0  0 
       1 118 GLY QA  27 yes 100.0  99.9  0.121  0.121 0.000  6 0 no  0.033  0  0 
       1 119 ILE QG 159 no   20.0 100.0  0.002  0.002 0.000  1 0 no  0.000  0  0 
       1 120 ARG QB  68 yes 100.0 100.0  0.192  0.192 0.000  4 0 no  0.016  0  0 
       1 120 ARG QG 158 no   30.0   5.4  0.003  0.058 0.055  1 0 yes 1.046  1  1 
       1 121 VAL QG  67 no   35.0  41.2  0.088  0.215 0.126  4 0 yes 1.142  2  2 
       1 122 PRO QG  66 no   20.0  86.1  0.069  0.081 0.011  4 0 no  0.748  0  3 
       1 123 ASP QB  26 no  100.0 100.0  0.007  0.007 0.000  6 0 no  0.215  0  0 
       1 124 ASP QB  36 no   10.0 100.0  0.000  0.000 0.000  5 0 no  0.000  0  0 
       1 125 GLU QB  65 no  100.0   0.0  0.000  0.000 0.000  4 0 no  0.000  0  0 
       1 125 GLU QG 120 no   15.0  92.6  0.003  0.004 0.000  2 0 no  0.074  0  0 
       1 126 ILE QG  91 no   60.0  65.3  0.437  0.669 0.232  3 0 no  0.985  0  8 
       1 127 CYS QB  64 no    5.0 100.0  0.000  0.000 0.000  4 0 no  0.000  0  0 
       1 128 ARG QB 119 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 129 ARG QB  63 no   40.0  25.4  0.021  0.082 0.061  4 0 no  0.425  0  0 
       1 133 ARG QB  62 no   55.0  68.3  0.036  0.053 0.017  4 0 no  0.419  0  0 
       1 134 PHE QB 118 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 135 PRO QB  90 no   65.0  67.8  0.187  0.276 0.089  3 0 no  0.926  0  9 
       1 136 VAL QG  14 no   90.0  99.6  6.203  6.225 0.022  7 0 no  0.545  0  1 
       1 142 ASN QB  61 no   95.0  78.7  0.006  0.007 0.002  4 0 no  0.205  0  0 
       1 143 ILE QG  60 no   30.0  66.0  0.020  0.030 0.010  4 0 no  0.317  0  0 
       1 144 SER QB 117 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 149 SER QB 116 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.020  0  0 
       1 150 PRO QB 115 no  100.0  99.5  0.034  0.034 0.000  2 0 no  0.239  0  0 
       1 151 ARG QB  25 no   85.0  91.0  0.070  0.077 0.007  6 0 no  0.386  0  0 
       1 152 LEU QB  59 no   40.0  99.8  0.009  0.009 0.000  4 0 no  0.018  0  0 
       1 152 LEU QD   1 no   95.0  98.6  3.621  3.673 0.052 15 4 no  0.836  0  2 
       1 153 GLU QB  58 no   95.0  99.9  0.075  0.075 0.000  4 0 no  0.641  0  1 
       1 153 GLU QG 157 no   65.0  82.1  0.437  0.532 0.095  1 0 yes 1.391  5  8 
       1 154 GLU QB  57 yes 100.0 100.0  0.184  0.184 0.000  4 0 no  0.000  0  0 
       1 155 ILE QG 114 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 156 VAL QG 113 no   70.0  41.5  0.087  0.209 0.122  2 0 no  0.652  0  6 
       1 157 ARG QB  89 no   60.0  46.9  0.262  0.559 0.297  3 0 no  0.793  0 12 
       1 157 ARG QG  56 no   60.0  52.0  0.048  0.092 0.044  4 0 no  0.516  0  3 
       1 158 ASP QB 156 no  100.0 100.0  0.099  0.099 0.000  1 0 no  0.587  0  4 
       1 159 LEU QB  13 no   80.0  79.4  0.612  0.771 0.159  7 0 no  0.932  0  4 
       1 159 LEU QD  24 yes  75.0  60.3  1.061  1.759 0.697  6 0 yes 1.633  4  8 
       1 160 ASP QB  35 no   30.0  78.7  0.004  0.004 0.001  5 0 no  0.124  0  0 
       1 162 VAL QG  88 no   70.0  45.3  1.081  2.388 1.307  3 0 yes 2.005 10 12 
       1 163 ASP QB  55 no   50.0  29.6  0.049  0.165 0.116  4 0 no  0.842  0  6 
       1 164 LEU QB  87 no  100.0   0.0  0.000  0.000 0.000  3 0 no  0.000  0  0 
       1 164 LEU QD 155 no   75.0  66.6  0.317  0.476 0.159  1 0 yes 1.014  1  4 
       1 165 VAL QG 112 no   70.0  97.2  0.005  0.005 0.000  2 0 no  0.051  0  0 
       1 166 LEU QB  54 no  100.0   0.0  0.000  0.000 0.000  4 0 no  0.081  0  0 
       1 166 LEU QD  21 no   75.0  50.8  0.085  0.167 0.082  7 4 no  0.662  0  4 
       1 167 ASP QB  53 yes  85.0  84.4  0.229  0.271 0.042  4 0 no  0.535  0  3 
       1 169 GLY QA  52 no  100.0   0.0  0.000  0.000 0.000  4 0 no  0.000  0  0 
       1 170 ASP QB  51 no   35.0  88.5  0.012  0.013 0.002  4 0 no  0.121  0  0 
       1 171 CYS QB 154 no   95.0  41.4  0.001  0.003 0.002  1 0 no  0.176  0  0 
       1 172 LEU QD 111 no  100.0 100.0  0.000  0.000 0.000  2 0 no  0.057  0  0 
       1 179 VAL QG 110 no  100.0 100.0  0.014  0.014 0.000  2 0 no  0.156  0  0 
       1 180 ILE QG  50 yes 100.0 100.0  0.507  0.507 0.000  4 0 no  0.000  0  0 
       1 181 ASP QB  34 no  100.0 100.0  0.007  0.007 0.000  5 0 no  0.154  0  0 
       1 182 LEU QB  33 yes  80.0  87.4  0.317  0.363 0.046  5 0 no  0.773  0  1 
       1 182 LEU QD  23 no   75.0  49.3  0.751  1.524 0.773  6 0 yes 2.076  5  5 
       1 184 VAL QG  49 no   95.0  93.7  2.700  2.880 0.180  4 0 yes 1.689  1  2 
       1 185 ASN QB 109 no  100.0  97.2  0.003  0.003 0.000  2 0 no  0.138  0  0 
       1 188 ARG QB  32 no   10.0  32.3  0.003  0.008 0.005  5 0 no  0.096  0  0 
       1 188 ARG QG 153 no   70.0  63.7  0.413  0.648 0.235  1 0 yes 1.016  1  6 
       1 189 VAL QG   9 yes  95.0  94.6  0.800  0.845 0.046  8 4 no  0.880  0  1 
       1 190 LEU QB  48 yes  95.0  97.0  1.245  1.283 0.039  4 0 no  0.872  0  1 
       1 191 ARG QB 152 no   50.0  25.3  0.018  0.070 0.052  1 0 yes 1.024  1  1 
       1 193 GLY QA  47 no   40.0 100.0  0.019  0.019 0.000  4 0 no  0.000  0  0 
       1 194 LYS QB 108 no   10.0   7.3  0.001  0.010 0.009  2 0 no  0.274  0  0 
       1 194 LYS QG 107 no    5.0 100.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 201 LEU QB 106 no   50.0  53.7  0.033  0.061 0.028  2 0 no  0.368  0  0 
       1 201 LEU QD 151 no   70.0  52.4  0.035  0.066 0.032  1 0 no  0.648  0  3 
       1 202 LEU QB  46 no   25.0  72.2  0.007  0.009 0.003  4 0 no  0.180  0  0 
       1 202 LEU QD  86 no  100.0 100.0  0.007  0.007 0.000  3 0 no  0.162  0  0 
       1 203 ARG QB  45 no   55.0  32.6  0.006  0.017 0.012  4 0 no  0.278  0  0 
       1 204 GLY QA  85 no  100.0   0.0  0.000  0.000 0.000  3 0 no  0.000  0  0 
       1 206 GLY QA 150 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1 207 ASP QB  44 no  100.0 100.0  0.005  0.005 0.000  4 0 no  0.259  0  0 
       1 208 VAL QG 105 no   65.0  73.6  1.036  1.407 0.371  2 0 yes 1.894  3  3 
    stop_

save_



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