BMRB

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
415967 2def RC 4089 cing 4-filtered-FRED Wattos check stereo assignment distance


data_2def


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        177
    _Stereo_assign_list.Swap_count           0
    _Stereo_assign_list.Swap_percentage      0.0
    _Stereo_assign_list.Deassign_count       2
    _Stereo_assign_list.Deassign_percentage  1.1
    _Stereo_assign_list.Model_count          20
    _Stereo_assign_list.Total_e_low_states   9.488
    _Stereo_assign_list.Total_e_high_states  195.162
    _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 VAL QG   94 no 100.0 100.0  0.054  0.054 0.000  6  0 no  0.000  0  0 
       1   3 LEU QB  107 no 100.0 100.0  1.642  1.642 0.000  5  0 no  0.018  0  0 
       1   3 LEU QD   48 no 100.0  99.0  2.167  2.188 0.021 10  4 no  0.158  0  0 
       1   4 GLN QB  171 no 100.0   0.0  0.000  0.004 0.004  2  0 no  0.081  0  0 
       1   5 VAL QG   44 no 100.0 100.0  1.228  1.228 0.000 10  2 no  0.000  0  0 
       1   6 LEU QB  170 no 100.0  99.9  0.997  0.998 0.001  2  0 no  0.044  0  0 
       1   6 LEU QD   47 no 100.0 100.0  3.477  3.477 0.000 10  4 no  0.000  0  0 
       1   7 HIS QB  146 no 100.0 100.0  2.865  2.866 0.001  3  0 no  0.051  0  0 
       1   8 ILE QG   85 no 100.0 100.0  2.243  2.244 0.001  7  5 no  0.066  0  0 
       1   9 PRO QD  127 no 100.0   0.0  0.000  0.000 0.000  4  2 no  0.000  0  0 
       1  10 ASP QB   73 no 100.0   0.0  0.000  0.000 0.000  8  4 no  0.015  0  0 
       1  12 ARG QB  169 no 100.0  95.4  0.243  0.254 0.012  2  0 no  0.138  0  0 
       1  12 ARG QH1 168 no   0.0   0.0  0.000  1.069 1.069  2  0 yes 1.505  5 27 
       1  13 LEU QB  167 no 100.0 100.0  1.453  1.453 0.001  2  0 no  0.050  0  0 
       1  13 LEU QD   11 no 100.0  75.4  0.002  0.002 0.001 18 12 no  0.095  0  0 
       1  14 ARG QB  166 no 100.0  99.9  1.568  1.570 0.001  2  0 no  0.065  0  0 
       1  15 LYS QB   79 no 100.0  99.1  0.341  0.344 0.003  7  0 no  0.168  0  0 
       1  15 LYS QD  120 no 100.0   0.0  0.000  0.002 0.002  4  0 no  0.112  0  0 
       1  15 LYS QG  165 no 100.0   0.0  0.000  0.002 0.002  2  0 no  0.078  0  0 
       1  16 VAL QG   51 no 100.0 100.0  0.701  0.701 0.000  9  1 no  0.053  0  0 
       1  18 LYS QB  145 no 100.0  99.5  0.965  0.969 0.005  3  0 no  0.135  0  0 
       1  19 PRO QD  144 no  20.0 100.0  0.001  0.001 0.000  3  0 no  0.000  0  0 
       1  20 VAL QG   27 no 100.0 100.0  5.464  5.464 0.000 12  0 no  0.000  0  0 
       1  22 GLU QB  143 no 100.0  99.5  0.279  0.280 0.001  3  0 no  0.047  0  0 
       1  23 VAL QG   10 no 100.0  98.3  2.477  2.521 0.044 18  8 no  0.260  0  0 
       1  24 ASN QB   83 no 100.0  96.7  0.564  0.583 0.019  7  2 no  0.162  0  0 
       1  24 ASN QD   98 no 100.0   0.0  0.000  0.015 0.015  6  2 no  0.132  0  0 
       1  27 ILE QG  119 no 100.0   0.0  0.000  0.002 0.002  4  0 no  0.082  0  0 
       1  28 GLN QB  106 no 100.0 100.0  0.964  0.964 0.000  5  0 no  0.037  0  0 
       1  28 GLN QG  118 no 100.0   0.0  0.000  0.000 0.000  4  0 no  0.000  0  0 
       1  29 ARG QB  105 no 100.0  99.1  0.256  0.258 0.002  5  0 no  0.144  0  0 
       1  30 ILE QG  117 no  30.0  21.0  0.001  0.003 0.002  4  0 no  0.085  0  0 
       1  31 VAL QG    8 no 100.0 100.0  1.932  1.932 0.000 19  7 no  0.012  0  0 
       1  32 ASP QB   53 no 100.0  96.8  0.316  0.326 0.010  9  2 no  0.124  0  0 
       1  33 ASP QB   33 no 100.0  98.0  1.432  1.462 0.030 12  4 no  0.177  0  0 
       1  34 MET QB   24 no 100.0 100.0  3.334  3.335 0.001 13  6 no  0.033  0  0 
       1  34 MET QG   59 no 100.0 100.0  1.185  1.185 0.000  9  6 no  0.051  0  0 
       1  36 GLU QB   50 no 100.0  98.1  0.277  0.282 0.005  9  0 no  0.083  0  0 
       1  38 MET QB   20 no 100.0 100.0  1.278  1.278 0.000 14  7 no  0.047  0  0 
       1  38 MET QG   14 no 100.0  99.9  5.652  5.658 0.007 17 10 no  0.216  0  0 
       1  39 TYR QB  116 no 100.0  99.9  3.198  3.200 0.002  4  0 no  0.073  0  0 
       1  41 GLU QB   68 no 100.0 100.0  0.893  0.893 0.000  8  2 no  0.000  0  0 
       1  41 GLU QG  126 no   0.0   0.0  0.000  0.000 0.000  4  2 no  0.039  0  0 
       1  43 GLY QA   26 no 100.0   0.0  0.000  0.001 0.001 13  8 no  0.069  0  0 
       1  45 GLY QA   23 no 100.0 100.0  0.983  0.983 0.000 13  6 no  0.021  0  0 
       1  46 LEU QD    3 no 100.0 100.0 12.347 12.347 0.000 25 11 no  0.000  0  0 
       1  50 GLN QB   97 no 100.0 100.0  1.371  1.371 0.000  6  2 no  0.041  0  0 
       1  50 GLN QE    9 no 100.0   0.0  0.000  0.003 0.003 18  6 no  0.095  0  0 
       1  50 GLN QG   72 no 100.0 100.0  1.388  1.388 0.000  8  4 no  0.041  0  0 
       1  51 VAL QG   37 no 100.0  99.9  1.276  1.277 0.001 11  0 no  0.045  0  0 
       1  52 ASP QB  102 no 100.0  99.9  0.609  0.610 0.001  6  4 no  0.040  0  0 
       1  53 ILE QG  164 no 100.0   0.0  0.000  0.002 0.002  2  0 no  0.102  0  0 
       1  54 HIS QB   64 no 100.0  99.9  1.476  1.477 0.001  8  0 no  0.049  0  0 
       1  55 GLN QB   78 no 100.0  98.7  0.300  0.304 0.004  7  0 no  0.102  0  0 
       1  56 ARG QB   82 no 100.0 100.0  1.676  1.676 0.000  7  2 no  0.054  0  0 
       1  56 ARG QD   28 no 100.0   0.0  0.000  0.003 0.003 12  2 no  0.086  0  0 
       1  56 ARG QG  173 no 100.0   0.0  0.000  0.000 0.000  2  2 no  0.000  0  0 
       1  58 ILE QG  101 no 100.0   0.0  0.000  0.004 0.004  6  4 no  0.086  0  0 
       1  59 VAL QG    1 no 100.0 100.0  4.577  4.577 0.000 56 18 no  0.050  0  0 
       1  60 ILE QG   87 no 100.0   0.0  0.000  0.000 0.000  7  7 no  0.041  0  0 
       1  61 ASP QB   63 no 100.0  98.5  0.722  0.733 0.011  8  0 no  0.160  0  0 
       1  62 VAL QG   67 no 100.0 100.0  0.049  0.049 0.000  8  2 no  0.000  0  0 
       1  63 SER QB   58 no 100.0 100.0  1.360  1.361 0.001  9  4 no  0.044  0  0 
       1  64 GLU QB  142 no 100.0  99.3  0.259  0.261 0.002  3  0 no  0.075  0  0 
       1  65 ASN QB   77 no 100.0  99.9  0.551  0.551 0.000  7  0 no  0.042  0  0 
       1  66 ARG QB  115 no 100.0  97.8  1.354  1.384 0.030  4  0 no  0.212  0  0 
       1  66 ARG QD  163 no 100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1  67 ASP QB  141 no 100.0 100.0  0.309  0.309 0.000  3  0 no  0.023  0  0 
       1  68 GLU QB   57 no 100.0  99.7  0.283  0.284 0.001  9  4 no  0.068  0  0 
       1  69 ARG QB   62 no 100.0  99.7  1.641  1.646 0.005  8  0 no  0.139  0  0 
       1  69 ARG QG  162 no 100.0   0.0  0.000  0.007 0.007  2  0 no  0.193  0  0 
       1  70 LEU QB   66 no 100.0  99.4  3.237  3.256 0.019  8  2 no  0.148  0  0 
       1  70 LEU QD  125 no 100.0 100.0  0.532  0.532 0.000  4  2 no  0.000  0  0 
       1  71 VAL QG    5 no 100.0 100.0  4.633  4.633 0.000 22  8 no  0.000  0  0 
       1  72 LEU QB  140 no 100.0  99.8  1.421  1.424 0.003  3  0 no  0.125  0  0 
       1  74 ASN QB   96 no 100.0  99.9  1.142  1.143 0.001  6  2 no  0.086  0  0 
       1  74 ASN QD  114 no 100.0   0.0  0.000  0.002 0.002  4  0 no  0.065  0  0 
       1  75 PRO QB  177 no 100.0 100.0  0.138  0.138 0.000  1  0 no  0.000  0  0 
       1  75 PRO QD   52 no  95.0 100.0  0.345  0.345 0.000  9  2 no  0.019  0  0 
       1  76 GLU QB  139 no 100.0  99.7  1.336  1.340 0.004  3  0 no  0.095  0  0 
       1  77 LEU QB  138 no 100.0  96.8  0.228  0.236 0.008  3  0 no  0.100  0  0 
       1  77 LEU QD  176 no  25.0 100.0  0.047  0.047 0.000  1  0 no  0.000  0  0 
       1  78 LEU QB  161 no 100.0   0.0  0.000  0.000 0.000  2  0 no  0.016  0  0 
       1  78 LEU QD  160 no 100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1  79 GLU QB   34 no 100.0 100.0  0.041  0.041 0.000 12  6 no  0.016  0  0 
       1  80 LYS QB   81 no 100.0  97.5  0.811  0.832 0.021  7  2 no  0.159  0  0 
       1  81 SER QB   71 no 100.0  99.0  1.349  1.362 0.014  8  4 no  0.139  0  0 
       1  82 GLY QA   70 no  85.0  99.9  0.073  0.073 0.000  8  4 no  0.032  0  0 
       1  85 GLY QA   17 no  20.0  81.0  0.008  0.010 0.002 15  3 no  0.076  0  0 
       1  86 ILE QG  131 no 100.0   0.0  0.000  0.001 0.001  4  4 no  0.069  0  0 
       1  87 GLU QB  159 no 100.0 100.0  1.682  1.682 0.000  2  0 no  0.019  0  0 
       1  87 GLU QG  113 no  95.0  99.9  0.817  0.817 0.000  4  0 no  0.061  0  0 
       1  88 GLU QB  100 no 100.0  99.5  2.137  2.147 0.010  6  4 no  0.201  0  0 
       1  88 GLU QG   86 no 100.0  98.7  1.218  1.233 0.016  7  6 no  0.201  0  0 
       1  89 GLY QA   56 no 100.0  98.3  0.096  0.098 0.002  9  4 no  0.130  0  0 
       1  90 CYS QB    7 no 100.0  96.5  0.292  0.303 0.011 19  0 no  0.178  0  0 
       1  91 LEU QB  158 no 100.0 100.0  1.208  1.208 0.000  2  0 no  0.012  0  0 
       1  91 LEU QD   21 no 100.0 100.0  0.779  0.779 0.000 14 10 no  0.000  0  0 
       1  92 SER QB   25 no 100.0 100.0  1.994  1.994 0.000 13  8 no  0.014  0  0 
       1  94 PRO QD   13 no 100.0 100.0  0.188  0.188 0.000 17  3 no  0.000  0  0 
       1  95 GLU QB  137 no 100.0  99.8  0.262  0.263 0.001  3  0 no  0.031  0  0 
       1  96 GLN QB  136 no 100.0 100.0  0.742  0.742 0.000  3  0 no  0.054  0  0 
       1  97 ARG QB  135 no 100.0  97.9  0.286  0.292 0.006  3  0 no  0.119  0  0 
       1  97 ARG QD  124 no 100.0   0.0  0.000  0.005 0.005  4  2 no  0.160  0  0 
       1  97 ARG QG  130 no 100.0   0.0  0.000  0.000 0.000  4  4 no  0.018  0  0 
       1  99 LEU QB  104 no 100.0  99.6  0.362  0.364 0.001  5  0 no  0.070  0  0 
       1  99 LEU QD  175 no  90.0 100.0  0.387  0.387 0.000  1  0 no  0.000  0  0 
       1 100 VAL QG    2 no  90.0  99.7  0.268  0.268 0.001 33 16 no  0.046  0  0 
       1 101 PRO QB  157 no 100.0  92.8  0.145  0.157 0.011  2  0 no  0.130  0  0 
       1 101 PRO QD   35 no 100.0   0.0  0.000  0.000 0.000 12  8 no  0.007  0  0 
       1 102 ARG QB   29 no 100.0  88.6  0.171  0.193 0.022 12  3 no  0.151  0  0 
       1 102 ARG QD   41 no  90.0  93.2  0.204  0.219 0.015 11  4 no  0.357  0  0 
       1 102 ARG QG   93 no 100.0   0.0  0.000  0.001 0.001  6  0 no  0.059  0  0 
       1 102 ARG QH1  95 no 100.0  45.3  6.275 13.865 7.590  6  2 yes 5.161 18 18 
       1 102 ARG QH2  45 no 100.0  91.1  1.011  1.109 0.099 10  3 no  0.590  0  3 
       1 104 GLU QB   55 no 100.0  99.7  0.330  0.331 0.001  9  4 no  0.038  0  0 
       1 104 GLU QG  112 no 100.0  99.1  0.107  0.108 0.001  4  0 no  0.049  0  0 
       1 105 LYS QB   46 no 100.0  99.4  1.823  1.834 0.011 10  4 no  0.094  0  0 
       1 105 LYS QD  129 no 100.0   0.0  0.000  0.000 0.000  4  4 no  0.033  0  0 
       1 105 LYS QG  156 no 100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1 106 VAL QG   15 no 100.0 100.0  0.891  0.891 0.000 16  4 no  0.000  0  0 
       1 107 LYS QB   42 no 100.0  99.9  2.162  2.164 0.001 11  6 no  0.067  0  0 
       1 107 LYS QD   99 no 100.0   0.0  0.000  0.000 0.000  6  4 no  0.004  0  0 
       1 107 LYS QG  155 no 100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1 108 ILE QG  154 no 100.0   0.0  0.000  0.003 0.003  2  0 no  0.070  0  0 
       1 109 ARG QB   76 no 100.0  99.0  1.174  1.186 0.012  7  0 no  0.125  0  0 
       1 109 ARG QG  153 no 100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1 111 LEU QB   69 no 100.0  99.5  1.436  1.444 0.007  8  4 no  0.097  0  0 
       1 111 LEU QD   12 no 100.0 100.0  8.044  8.044 0.000 18 14 no  0.000  0  0 
       1 112 ASP QB   32 no 100.0  98.8  1.553  1.571 0.019 12  4 no  0.172  0  0 
       1 113 ARG QB  123 no 100.0  99.9  0.916  0.916 0.000  4  2 no  0.049  0  0 
       1 113 ARG QD  103 no 100.0   0.0  0.000  0.000 0.000  6  6 no  0.012  0  0 
       1 113 ARG QG  172 no 100.0   0.0  0.000  0.000 0.000  2  2 no  0.000  0  0 
       1 114 ASP QB   75 no 100.0  99.5  0.293  0.294 0.001  7  0 no  0.056  0  0 
       1 115 GLY QA   22 no 100.0   0.0  0.000  0.005 0.005 14 12 no  0.097  0  0 
       1 116 LYS QB  122 no 100.0  99.9  1.224  1.225 0.001  4  2 no  0.066  0  0 
       1 116 LYS QG  128 no 100.0   0.0  0.000  0.015 0.015  4  4 no  0.172  0  0 
       1 117 PRO QB  147 no 100.0 100.0  0.393  0.393 0.000  3  2 no  0.000  0  0 
       1 117 PRO QD   49 no 100.0   0.0  0.000  0.000 0.000 10  6 no  0.054  0  0 
       1 117 PRO QG  121 no 100.0   0.0  0.000  0.000 0.000  4  2 no  0.000  0  0 
       1 118 PHE QB  111 no 100.0  99.4  1.711  1.721 0.011  4  0 no  0.124  0  0 
       1 119 GLU QB  152 no 100.0  99.7  1.185  1.188 0.003  2  0 no  0.081  0  0 
       1 119 GLU QG  134 no  90.0 100.0  1.113  1.113 0.000  3  0 no  0.049  0  0 
       1 120 LEU QB   74 no 100.0  95.4  0.178  0.187 0.009  7  0 no  0.122  0  0 
       1 120 LEU QD   92 no  40.0 100.0  0.093  0.093 0.000  6  0 no  0.000  0  0 
       1 121 GLU QB   54 no 100.0  99.3  2.240  2.256 0.016  9  4 no  0.141  0  0 
       1 123 ASP QB   40 no 100.0  99.0  0.958  0.968 0.010 11  4 no  0.123  0  0 
       1 124 GLY QA  133 no 100.0   0.0  0.000  0.000 0.000  3  0 no  0.000  0  0 
       1 125 LEU QB   91 no 100.0  99.8  1.597  1.600 0.004  6  0 no  0.076  0  0 
       1 125 LEU QD  151 no 100.0   0.0  0.000  0.000 0.000  2  0 no  0.000  0  0 
       1 126 LEU QB   38 no 100.0  99.5  1.746  1.755 0.009 11  2 no  0.146  0  0 
       1 128 ILE QG  174 no 100.0 100.0  0.982  0.983 0.000  1  0 no  0.042  0  0 
       1 129 CYS QB    6 no 100.0  99.3  0.265  0.267 0.002 21  4 no  0.045  0  0 
       1 131 GLN QB   39 no 100.0  99.3  0.617  0.621 0.005 11  4 no  0.080  0  0 
       1 131 GLN QE   43 no 100.0   0.0  0.000  0.005 0.005 10  0 no  0.092  0  0 
       1 131 GLN QG   65 no 100.0 100.0  0.542  0.542 0.000  8  2 no  0.030  0  0 
       1 132 HIS QB   80 no 100.0  99.9  0.735  0.736 0.001  7  1 no  0.062  0  0 
       1 133 GLU QB   19 no 100.0  99.8  4.026  4.034 0.008 14  6 no  0.086  0  0 
       1 133 GLU QG   31 no 100.0  99.9  5.444  5.452 0.007 12  4 no  0.106  0  0 
       1 134 MET QB  110 no 100.0 100.0  1.508  1.508 0.000  4  0 no  0.023  0  0 
       1 134 MET QG   61 no 100.0 100.0  0.855  0.855 0.000  8  0 no  0.032  0  0 
       1 135 ASP QB   30 no 100.0  94.7  0.623  0.658 0.035 12  4 no  0.221  0  0 
       1 136 HIS QB   36 no 100.0 100.0  1.714  1.715 0.001 11  0 no  0.063  0  0 
       1 137 LEU QB  109 no 100.0 100.0  1.536  1.536 0.000  4  0 no  0.026  0  0 
       1 137 LEU QD    4 no 100.0 100.0  3.071  3.071 0.000 22  4 no  0.000  0  0 
       1 138 VAL QG   90 no 100.0 100.0  0.055  0.055 0.000  6  0 no  0.000  0  0 
       1 139 GLY QA  108 no   5.0 100.0  0.000  0.000 0.000  5  1 no  0.000  0  0 
       1 140 LYS QB   84 no 100.0  98.4  1.590  1.616 0.026  7  4 no  0.165  0  0 
       1 141 LEU QB   89 no 100.0  99.9  1.660  1.661 0.001  6  0 no  0.056  0  0 
       1 141 LEU QD   88 no 100.0 100.0  0.501  0.501 0.000  6  0 no  0.000  0  0 
       1 142 PHE QB   18 no 100.0  99.9  3.450  3.454 0.004 14  5 no  0.126  0  0 
       1 143 MET QB  150 no 100.0 100.0  1.681  1.682 0.001  2  0 no  0.042  0  0 
       1 143 MET QG  132 no 100.0 100.0  0.305  0.305 0.000  3  0 no  0.021  0  0 
       1 144 ASP QB   60 no 100.0  99.6  1.190  1.194 0.005  8  0 no  0.100  0  0 
       1 145 TYR QB   16 no 100.0  96.9  1.217  1.257 0.039 16  9 no  0.225  0  0 
       1 146 LEU QB  149 no 100.0 100.0  1.270  1.270 0.000  2  0 no  0.030  0  0 
       1 147 SER QB  148 no 100.0  99.9  1.829  1.830 0.001  2  0 no  0.045  0  0 
    stop_

save_