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
613647 2nbj 19957 cing 4-filtered-FRED Wattos check stereo assignment distance


data_2nbj


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        191
    _Stereo_assign_list.Swap_count           6
    _Stereo_assign_list.Swap_percentage      3.1
    _Stereo_assign_list.Deassign_count       20
    _Stereo_assign_list.Deassign_percentage  10.5
    _Stereo_assign_list.Model_count          12
    _Stereo_assign_list.Total_e_low_states   28.145
    _Stereo_assign_list.Total_e_high_states  270.304
    _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  2 ASN QB   83 no   91.7  57.9  0.134  0.231 0.097  5 3 no  0.677  0  2 
       1  2 ASN QD   82 no  100.0  96.5  0.381  0.395 0.014  5 3 no  0.386  0  0 
       1  4 ARG QB  155 yes 100.0 100.0  0.154  0.154 0.000  2 0 no  0.000  0  0 
       1  4 ARG QD  127 no  100.0  69.4  0.674  0.972 0.298  3 0 yes 0.622  0  9 
       1  4 ARG QG  187 no    8.3 100.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1  5 ASN QB   21 no   58.3  15.4  0.175  1.140 0.965  9 5 no  0.615  0  1 
       1  5 ASN QD    5 no  100.0  99.4  0.532  0.535 0.003 11 7 yes 1.289  3  8 
       1  6 PHE QB   52 no  100.0  91.5  0.646  0.706 0.060  6 0 no  0.200  0  0 
       1  7 VAL QG    1 no  100.0  89.8 14.870 16.555 1.684 17 7 yes 1.112 10 13 
       1  8 LEU QB  126 no  100.0  42.5  0.163  0.385 0.222  3 0 no  0.511  0  2 
       1  9 ARG QB  132 no  100.0  97.5  3.346  3.433 0.087  3 1 no  0.667  0  2 
       1  9 ARG QD  162 no  100.0  93.9  0.782  0.833 0.051  2 1 no  0.346  0  0 
       1 10 ASP QB   72 yes 100.0  72.4  0.315  0.435 0.120  5 0 no  0.408  0  0 
       1 11 GLU QB   35 no  100.0  99.2  2.474  2.494 0.020  7 0 no  0.239  0  0 
       1 11 GLU QG  186 no  100.0 100.0  0.214  0.214 0.000  1 0 no  0.000  0  0 
       1 12 ASP QB  108 no  100.0  87.6  1.728  1.972 0.244  4 2 no  0.539  0  5 
       1 13 GLY QA   91 no  100.0 100.0  0.001  0.001 0.000  4 0 no  0.049  0  0 
       1 14 ASN QB   58 no   83.3  56.8  0.043  0.076 0.033  6 3 no  0.231  0  0 
       1 14 ASN QD   47 no  100.0  92.6  0.451  0.486 0.036  7 5 no  0.231  0  0 
       1 15 GLU QB   38 no  100.0  48.4  0.171  0.354 0.182  7 2 no  0.434  0  0 
       1 15 GLU QG  114 no   91.7  66.2  0.206  0.311 0.105  4 3 no  0.557  0  2 
       1 16 HIS QB    8 no  100.0  94.4  1.061  1.124 0.063 10 2 no  0.276  0  0 
       1 17 GLY QA   11 no  100.0  88.7  0.676  0.761 0.086 10 5 no  0.353  0  0 
       1 18 VAL QG   20 no  100.0  97.0  3.189  3.286 0.097  9 5 no  0.252  0  0 
       1 19 PHE QB   71 no  100.0  99.1  2.668  2.693 0.025  5 0 no  0.293  0  0 
       1 21 GLY QA   74 yes 100.0  45.3  0.319  0.704 0.385  5 1 yes 0.570  0 10 
       1 22 LYS QB  101 no  100.0  86.6  1.894  2.187 0.293  4 1 no  0.820  0  5 
       1 22 LYS QG  191 no   91.7  99.9  0.946  0.948 0.001  1 1 no  0.098  0  0 
       1 23 GLN QB  107 no   91.7  80.0  1.157  1.445 0.289  4 2 yes 0.987  0  6 
       1 23 GLN QE    6 no  100.0  99.6  4.251  4.267 0.016 11 9 no  0.178  0  0 
       1 23 GLN QG  106 no  100.0   0.0  0.000  0.797 0.797  4 2 yes 1.021  3 13 
       1 24 PRO QB  161 no  100.0  99.7  1.207  1.211 0.004  2 1 no  0.098  0  0 
       1 24 PRO QD  100 no  100.0  99.3  0.870  0.876 0.006  4 1 no  0.109  0  0 
       1 25 ARG QH2 160 no    8.3 100.0  0.000  0.000 0.000  2 1 no  0.000  0  0 
       1 26 GLN QB  105 no   75.0  68.0  0.105  0.154 0.049  4 2 no  0.360  0  0 
       1 26 GLN QE   62 no  100.0  98.6  1.807  1.832 0.025  6 5 no  0.338  0  0 
       1 26 GLN QG   41 no  100.0   2.4  0.058  2.456 2.398  7 3 yes 1.583 15 24 
       1 29 LEU QB   23 no   75.0  19.1  0.090  0.470 0.381  8 0 no  0.484  0  0 
       1 30 LYS QB   17 no  100.0  81.4  4.257  5.230 0.973  9 3 yes 1.477  5  8 
       1 30 LYS QE  125 no   33.3  99.7  0.158  0.158 0.000  3 0 no  0.062  0  0 
       1 30 LYS QG  137 no  100.0  59.4  0.058  0.097 0.039  3 2 no  0.454  0  0 
       1 33 ASN QB  124 no   75.0  91.2  0.012  0.013 0.001  3 0 no  0.059  0  0 
       1 33 ASN QD   99 no   75.0  23.7  0.705  2.976 2.271  4 1 yes 1.773 11 16 
       1 34 ARG QB  159 no   91.7  91.2  0.020  0.022 0.002  2 1 no  0.078  0  0 
       1 34 ARG QD  113 yes 100.0  99.8  0.688  0.689 0.002  4 3 no  0.078  0  0 
       1 34 ARG QG   78 no  100.0  72.0  0.848  1.178 0.329  5 2 no  0.934  0  4 
       1 35 GLY QA  123 no  100.0 100.0  0.085  0.085 0.000  3 0 no  0.341  0  0 
       1 36 SER QB   81 no   75.0  34.9  0.122  0.350 0.228  5 3 no  0.883  0  4 
       1 37 GLY QA  154 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.008  0  0 
       1 39 LYS QB  136 no  100.0  94.8  2.165  2.283 0.118  3 2 no  0.492  0  0 
       1 39 LYS QG   61 no   83.3  93.9  1.202  1.280 0.078  6 4 no  0.503  0  1 
       1 41 ASN QB   12 no  100.0  91.0  2.634  2.894 0.260 10 6 no  0.883  0  4 
       1 41 ASN QD   60 no   91.7  94.5  0.603  0.638 0.035  6 4 no  0.210  0  0 
       1 42 PRO QB  135 no   25.0  37.5  0.000  0.001 0.001  3 2 no  0.046  0  0 
       1 42 PRO QD   59 no   91.7  61.5  0.079  0.128 0.049  6 4 no  0.247  0  0 
       1 42 PRO QG  139 no   91.7  10.5  0.005  0.047 0.042  3 3 no  0.247  0  0 
       1 43 ASP QB   34 no  100.0  95.1  0.408  0.429 0.021  7 0 no  0.191  0  0 
       1 44 ILE QG  153 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 45 ILE QG   70 no  100.0  88.4  1.991  2.251 0.260  5 0 no  0.379  0  0 
       1 46 ARG QB  104 no  100.0   0.0  0.000  0.000 0.000  4 2 no  0.000  0  0 
       1 46 ARG QD   45 no  100.0  88.5  0.270  0.305 0.035  7 4 no  0.477  0  0 
       1 46 ARG QG   44 no  100.0  96.8  4.323  4.467 0.144  7 4 no  0.667  0  2 
       1 47 LEU QB  152 no  100.0  97.8  3.559  3.640 0.080  2 0 no  0.237  0  0 
       1 48 ARG QB   98 no  100.0  99.9  1.386  1.387 0.001  4 1 no  0.049  0  0 
       1 48 ARG QD  131 no  100.0  92.3  0.589  0.638 0.049  3 1 no  0.243  0  0 
       1 48 ARG QG  122 no  100.0  86.4  0.110  0.127 0.017  3 0 no  0.230  0  0 
       1 50 ARG QB   40 yes  83.3  33.3  0.400  1.200 0.801  7 3 yes 1.307  4 10 
       1 50 ARG QD   31 no  100.0  74.6  3.147  4.217 1.070  8 6 yes 1.453  5 12 
       1 50 ARG QG  185 no   91.7 100.0  0.009  0.009 0.000  1 0 no  0.000  0  0 
       1 51 GLY QA  121 yes  91.7  76.3  0.172  0.226 0.053  3 0 no  0.710  0  1 
       1 53 LYS QB  151 no    0.0   0.0  0.000  0.663 0.663  2 0 yes 1.144  2 11 
       1 54 LYS QB   97 no  100.0  93.0  0.487  0.524 0.037  4 1 no  0.396  0  0 
       1 54 LYS QD  138 no  100.0  99.4  0.302  0.303 0.002  3 3 no  0.436  0  0 
       1 54 LYS QE   37 no  100.0  15.2  0.098  0.644 0.546  7 2 yes 0.971  0  8 
       1 54 LYS QG  184 no   41.7  94.9  0.084  0.089 0.005  1 0 no  0.151  0  0 
       1 55 VAL QG   96 no  100.0  99.9  3.604  3.606 0.002  4 1 no  0.069  0  0 
       1 56 HIS QB   90 no  100.0  99.4  0.096  0.097 0.001  4 0 no  0.052  0  0 
       1 57 VAL QG   80 no  100.0  99.7  8.499  8.523 0.024  5 3 no  0.477  0  0 
       1 58 PHE QB   51 no  100.0  47.3  1.007  2.130 1.123  6 0 yes 1.104  2 12 
       1 61 TRP QB   69 no   83.3  48.5  0.052  0.106 0.055  5 0 no  0.377  0  0 
       1 63 GLU QB   43 no  100.0  94.6  3.022  3.194 0.172  7 4 no  0.503  0  1 
       1 63 GLU QG   68 no   66.7  36.8  0.264  0.717 0.453  5 0 yes 0.813  0  9 
       1 64 ILE QG  150 no  100.0  85.5  5.038  5.893 0.854  2 0 yes 1.479  4  9 
       1 65 VAL QG   89 no  100.0  18.7  0.039  0.206 0.168  4 0 no  0.329  0  0 
       1 66 ASP QB  120 no  100.0  46.5  0.134  0.287 0.154  3 0 no  0.589  0  3 
       1 69 LYS QB   88 no  100.0   0.0  0.000  0.001 0.001  4 0 no  0.109  0  0 
       1 70 ASN QB  130 no  100.0 100.0  0.134  0.134 0.000  3 1 no  0.000  0  0 
       1 70 ASN QD  112 no  100.0 100.0  3.941  3.942 0.000  4 3 no  0.029  0  0 
       1 71 ARG QB  158 no   33.3 100.0  0.000  0.000 0.000  2 1 no  0.000  0  0 
       1 71 ARG QD  157 no  100.0 100.0  0.151  0.151 0.000  2 1 no  0.000  0  0 
       1 71 ARG QG  111 no   91.7  79.5  0.119  0.150 0.031  4 3 no  0.311  0  0 
       1 71 ARG QH1 149 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.008  0  0 
       1 72 PRO QB   27 no  100.0  99.4  2.896  2.915 0.018  8 3 no  0.138  0  0 
       1 72 PRO QD  110 no   58.3  22.8  0.017  0.076 0.058  4 3 no  0.424  0  0 
       1 74 TRP QB   33 no  100.0  42.3  0.029  0.068 0.039  7 0 no  0.254  0  0 
       1 75 MET QB  148 no  100.0 100.0  0.000  0.000 0.000  2 0 no  0.022  0  0 
       1 76 PRO QB  183 no  100.0 100.0  0.002  0.002 0.000  1 0 no  0.065  0  0 
       1 76 PRO QD  147 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 77 GLU QB  146 no  100.0   0.0  0.000  0.000 0.000  2 0 no  0.000  0  0 
       1 77 GLU QG  145 no  100.0  99.8  2.497  2.502 0.004  2 0 no  0.095  0  0 
       1 78 LYS QB  144 no  100.0  97.3  0.256  0.263 0.007  2 0 no  0.132  0  0 
       1 79 ILE QG  182 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       1 81 LYS QB  103 no  100.0  94.0  0.407  0.433 0.026  4 2 no  0.350  0  0 
       1 81 LYS QD  190 no  100.0 100.0  1.213  1.213 0.000  1 1 no  0.022  0  0 
       1 82 PRO QB  117 no  100.0   0.0  0.000  0.000 0.000  4 4 no  0.001  0  0 
       1 82 PRO QD   30 no  100.0 100.0  0.020  0.020 0.000  8 5 no  0.173  0  0 
       1 83 PHE QB   32 no  100.0  83.1  0.489  0.588 0.099  7 0 no  0.308  0  0 
       1 84 VAL QG   14 no  100.0  52.7  0.926  1.759 0.832  9 0 yes 0.664  0 12 
       1 85 LYS QB   19 no  100.0  89.6  1.918  2.141 0.223  9 4 no  0.695  0  2 
       1 85 LYS QG  116 no  100.0   0.0  0.000  0.034 0.034  4 4 no  0.207  0  0 
       1 86 LYS QG  156 no   75.0  70.6  0.689  0.976 0.287  2 1 no  0.880  0  5 
       1 87 GLU QB   87 no  100.0  60.1  0.144  0.239 0.096  4 0 no  0.484  0  0 
       1 88 ARG QD   18 no  100.0  45.6  1.065  2.336 1.271  9 4 yes 1.126  7 18 
       1 88 ARG QG   16 no  100.0  31.1  0.127  0.407 0.280  9 3 no  0.634  0  4 
       1 90 GLU QB  102 no  100.0  44.7  0.063  0.141 0.078  4 2 no  0.417  0  0 
       1 90 GLU QG  134 no   91.7  25.0  0.146  0.586 0.440  3 2 yes 0.996  0  9 
       1 91 LYS QB   86 no  100.0  88.8  0.693  0.781 0.088  4 0 no  0.331  0  0 
       1 92 LEU QB   67 no  100.0 100.0  0.020  0.020 0.000  5 0 no  0.190  0  0 
       1 93 GLU QB   28 no   83.3  97.5  0.112  0.115 0.003  8 4 no  0.125  0  0 
       1 93 GLU QG   46 no   91.7  54.9  1.026  1.868 0.842  7 5 yes 1.423  2 17 
       2  1 DA  Q2'  77 no  100.0  99.7  2.605  2.613 0.009  5 2 no  0.122  0  0 
       2  1 DA  Q5'  25 no  100.0  98.5  0.848  0.861 0.013  8 2 no  0.122  0  0 
       2  1 DA  Q6  181 no  100.0 100.0  1.902  1.902 0.000  1 0 no  0.046  0  0 
       2  2 DA  Q2'  95 no  100.0  98.3  2.064  2.100 0.035  4 1 no  0.174  0  0 
       2  2 DA  Q5'  73 no   83.3  73.1  0.051  0.069 0.019  5 1 no  0.331  0  0 
       2  2 DA  Q6  180 no  100.0  99.9  3.130  3.135 0.004  1 0 no  0.109  0  0 
       2  3 DA  Q2' 119 no  100.0 100.0  0.276  0.276 0.000  3 0 no  0.000  0  0 
       2  3 DA  Q5' 129 no  100.0  93.9  0.404  0.430 0.026  3 1 no  0.177  0  0 
       2  3 DA  Q6  179 no  100.0 100.0  2.543  2.543 0.000  1 0 no  0.004  0  0 
       2  4 DA  Q2'   7 no  100.0  84.5  0.739  0.874 0.135 10 1 no  0.316  0  0 
       2  4 DA  Q5'  94 no  100.0  97.6  0.878  0.900 0.022  4 1 no  0.251  0  0 
       2  4 DA  Q6  178 no  100.0  99.5  3.329  3.346 0.018  1 0 no  0.185  0  0 
       2  5 DA  Q2'  85 no  100.0  96.9  0.489  0.505 0.016  4 0 no  0.159  0  0 
       2  5 DA  Q5' 177 no  100.0   0.0  0.000  0.000 0.000  1 0 no  0.000  0  0 
       2  5 DA  Q6  176 no  100.0  99.1  2.907  2.933 0.026  1 0 no  0.186  0  0 
       2  6 DC  Q2' 128 no  100.0  91.7  0.349  0.381 0.032  3 1 no  0.217  0  0 
       2  6 DC  Q4   50 no  100.0 100.0  3.394  3.394 0.000  6 0 no  0.036  0  0 
       2  7 DA  Q2'  66 no  100.0  70.2  0.044  0.062 0.019  5 0 no  0.173  0  0 
       2  7 DA  Q6  175 no  100.0 100.0  2.018  2.019 0.000  1 0 no  0.060  0  0 
       2  8 DC  Q2'  10 no  100.0  90.3  1.793  1.987 0.194 10 3 no  0.440  0  0 
       2  8 DC  Q4   49 no  100.0  99.6  2.781  2.791 0.010  6 0 no  0.118  0  0 
       2  8 DC  Q5' 109 no  100.0  90.0  0.009  0.010 0.001  4 3 no  0.123  0  0 
       2  9 DA  Q2'  65 no  100.0  99.5  2.252  2.263 0.011  5 0 no  0.156  0  0 
       2  9 DA  Q6  174 no  100.0  98.8  0.563  0.570 0.007  1 0 no  0.125  0  0 
       2 10 DC  Q2'  93 no  100.0  88.7  0.663  0.747 0.084  4 1 no  0.260  0  0 
       2 10 DC  Q4   48 no  100.0 100.0  3.321  3.322 0.001  6 0 no  0.056  0  0 
       2 11 DA  Q2'   4 no  100.0  81.5  1.471  1.805 0.334 12 3 no  0.784  0  4 
       2 11 DA  Q5' 189 no  100.0  80.3  1.139  1.418 0.279  1 1 no  0.784  0  4 
       2 11 DA  Q6  173 no  100.0  99.8  3.014  3.022 0.007  1 0 no  0.116  0  0 
       2 12 DC  Q2'  55 no  100.0  98.5  2.247  2.280 0.033  6 1 no  0.210  0  0 
       2 12 DC  Q4   64 no  100.0  99.8  2.712  2.718 0.006  5 0 no  0.102  0  0 
       2 12 DC  Q5'  36 no  100.0  99.0  1.454  1.469 0.014  7 2 no  0.132  0  0 
       2 13 DC  Q2' 143 no  100.0  76.7  0.028  0.036 0.008  2 0 no  0.127  0  0 
       2 13 DC  Q4   76 no  100.0  99.0  1.952  1.970 0.019  5 2 no  0.173  0  0 
       2 13 DC  Q5' 172 no   50.0  84.4  0.075  0.088 0.014  1 0 no  0.203  0  0 
       2 14 DC  Q2' 142 no  100.0 100.0  0.677  0.677 0.000  2 0 no  0.000  0  0 
       2 14 DC  Q4  141 no  100.0  96.0  0.169  0.176 0.007  2 0 no  0.153  0  0 
       2 15 DA  Q2'   9 no  100.0  66.6  0.559  0.839 0.281 10 3 no  0.439  0  0 
       2 15 DA  Q5'  57 no  100.0  62.6  0.681  1.089 0.408  6 3 no  0.439  0  0 
       2 15 DA  Q6  171 no   25.0 100.0  0.001  0.001 0.000  1 0 no  0.000  0  0 
       3  1 DT  Q2'  54 no  100.0  97.8  4.273  4.369 0.096  6 1 no  0.223  0  0 
       3  1 DT  Q5'  53 no  100.0  99.7  5.461  5.477 0.016  6 1 no  0.138  0  0 
       3  2 DG  Q2' 115 no  100.0   0.0  0.000  0.019 0.019  4 4 no  0.173  0  0 
       3  2 DG  Q2  118 no  100.0  99.8  2.437  2.441 0.004  3 0 no  0.087  0  0 
       3  2 DG  Q5'  29 no  100.0  99.9  3.588  3.590 0.002  8 5 no  0.107  0  0 
       3  3 DG  Q2' 133 no  100.0  98.8  3.175  3.215 0.040  3 2 no  0.424  0  0 
       3  3 DG  Q2  170 no  100.0  99.9  2.787  2.789 0.002  1 0 no  0.103  0  0 
       3  4 DG  Q2'  84 no   33.3  94.5  0.005  0.005 0.000  4 0 no  0.029  0  0 
       3  4 DG  Q2  169 no  100.0  99.9  1.882  1.883 0.001  1 0 no  0.067  0  0 
       3  4 DG  Q5' 168 no   16.7 100.0  0.005  0.005 0.000  1 0 no  0.005  0  0 
       3  5 DT  Q2' 140 no  100.0 100.0  0.032  0.032 0.000  2 0 no  0.000  0  0 
       3  6 DG  Q2'  75 no  100.0  99.1  0.489  0.494 0.005  5 2 no  0.123  0  0 
       3  6 DG  Q2  167 no  100.0 100.0  2.495  2.495 0.000  1 0 no  0.059  0  0 
       3  7 DT  Q2'  15 no  100.0  98.4  2.312  2.349 0.037  9 2 no  0.229  0  0 
       3  7 DT  Q5'  79 no  100.0  98.5  2.774  2.817 0.043  5 3 no  0.204  0  0 
       3  8 DG  Q2'  56 no  100.0  96.4  3.160  3.279 0.119  6 2 no  0.372  0  0 
       3  8 DG  Q2  166 no  100.0 100.0  2.796  2.796 0.000  1 0 no  0.050  0  0 
       3  8 DG  Q5'  26 no   91.7  78.8  0.460  0.584 0.124  8 3 no  0.372  0  0 
       3  9 DT  Q2'  92 no  100.0 100.0  2.299  2.299 0.000  4 1 no  0.000  0  0 
       3 10 DG  Q2'  39 no  100.0  98.7  1.034  1.048 0.014  7 3 no  0.127  0  0 
       3 10 DG  Q2  165 no  100.0 100.0  1.988  1.988 0.000  1 0 no  0.000  0  0 
       3 10 DG  Q5'  42 no  100.0  99.5  5.918  5.949 0.031  7 4 no  0.181  0  0 
       3 11 DT  Q2'  63 no  100.0  99.6  2.947  2.959 0.012  5 0 no  0.168  0  0 
       3 12 DT  Q2'  13 no  100.0  96.7  1.705  1.763 0.057  9 0 no  0.247  0  0 
       3 12 DT  Q5' 164 no   83.3  57.2  0.003  0.005 0.002  1 0 no  0.112  0  0 
       3 13 DT  Q2'  22 no  100.0  92.1  1.776  1.927 0.152  8 0 no  0.392  0  0 
       3 13 DT  Q5' 163 no  100.0  99.9  3.112  3.114 0.003  1 0 no  0.079  0  0 
       3 14 DT  Q2'   3 no  100.0  97.6  4.210  4.314 0.104 12 3 no  0.304  0  0 
       3 14 DT  Q5' 188 no   91.7  97.0  0.786  0.811 0.025  1 1 no  0.212  0  0 
       3 15 DT  Q2'   2 no  100.0  99.9  2.441  2.445 0.003 14 6 no  0.055  0  0 
       3 15 DT  Q5'  24 no  100.0  96.0  0.692  0.721 0.029  8 1 no  0.149  0  0 
    stop_

save_



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