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
587787 2ml8 16085 cing 4-filtered-FRED Wattos check stereo assignment distance


data_2ml8


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        176
    _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   0.385
    _Stereo_assign_list.Total_e_high_states  253.001
    _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  11 GLU QB 175 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  12 ASN QB 145 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1  13 LEU QB 125 no 100.0   0.0  0.000  0.000 0.000  6  4 no 0.000 0 0 
       1  13 LEU QD 124 no 100.0   0.0  0.000  0.000 0.000  6  4 no 0.000 0 0 
       1  15 PHE QB 144 no 100.0   0.0  0.000  0.001 0.001  4  0 no 0.100 0 0 
       1  17 SER QB 174 no 100.0   0.0  0.000  0.014 0.014  2  0 no 0.308 0 0 
       1  18 ASN QB 173 no   0.0   0.0  0.000  0.002 0.002  2  0 no 0.106 0 0 
       1  20 GLU QB 143 no 100.0   0.0  0.000  0.002 0.002  4  0 no 0.125 0 0 
       1  21 ILE QG  23 no 100.0  99.9  6.764  6.768 0.004 17  1 no 0.080 0 0 
       1  23 ASP QB 172 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.001 0 0 
       1  24 GLU QB 171 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  24 GLU QG 170 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.003 0 0 
       1  25 PRO QB 123 no 100.0   0.0  0.000  0.000 0.000  6  4 no 0.000 0 0 
       1  25 PRO QD 169 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  26 VAL QG  19 no  85.0   0.0  0.000  0.002 0.002 18  4 no 0.057 0 0 
       1  27 LYS QB 114 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.000 0 0 
       1  27 LYS QG  35 no 100.0 100.0  0.954  0.954 0.000 15  2 no 0.019 0 0 
       1  30 LEU QB  95 no 100.0   0.0  0.000  0.000 0.000  8  4 no 0.000 0 0 
       1  30 LEU QD  47 no 100.0   0.0  0.000  0.000 0.000 14  4 no 0.034 0 0 
       1  31 LEU QB  64 no 100.0 100.0  1.895  1.895 0.000 11  0 no 0.030 0 0 
       1  31 LEU QD  77 no 100.0   0.0  0.000  0.000 0.000 10  0 no 0.044 0 0 
       1  32 LEU QB  63 no 100.0 100.0  1.067  1.067 0.000 11  0 no 0.035 0 0 
       1  32 LEU QD  41 no 100.0   0.0  0.000  0.000 0.000 14  0 no 0.019 0 0 
       1  33 HIS QB  62 no 100.0 100.0  0.762  0.762 0.000 11  0 no 0.000 0 0 
       1  34 VAL QG   3 no 100.0 100.0 19.244 19.245 0.001 30  4 no 0.068 0 0 
       1  35 LEU QB  51 no 100.0 100.0  1.478  1.478 0.000 13  5 no 0.021 0 0 
       1  35 LEU QD  20 no  95.0   0.0  0.000  0.002 0.002 18  8 no 0.069 0 0 
       1  36 VAL QG   6 no 100.0  99.9 20.443 20.455 0.012 23  2 no 0.121 0 0 
       1  39 LYS QB 113 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.000 0 0 
       1  39 LYS QG  22 no 100.0 100.0  2.462  2.463 0.001 17  1 no 0.042 0 0 
       1  40 LEU QB 112 no 100.0 100.0  1.073  1.073 0.000  6  0 no 0.000 0 0 
       1  40 LEU QD 111 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.000 0 0 
       1  42 LYS QB 168 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  42 LYS QD 110 no   0.0   0.0  0.000  0.000 0.000  6  0 no 0.025 0 0 
       1  43 SER QB  76 no 100.0  98.1  0.455  0.464 0.009 10  0 no 0.210 0 0 
       1  44 LEU QB  83 no 100.0  99.9  0.598  0.599 0.001  9  4 no 0.059 0 0 
       1  44 LEU QD  15 no 100.0   0.0  0.000  0.000 0.000 20  8 no 0.034 0 0 
       1  45 ASP QB 142 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.027 0 0 
       1  46 SER QB 141 no   0.0   0.0  0.000  0.002 0.002  4  0 no 0.061 0 0 
       1  47 ILE QG  42 no 100.0 100.0  1.807  1.808 0.001 14  1 no 0.047 0 0 
       1  48 PRO QB 140 no 100.0   0.0  0.000  0.001 0.001  4  0 no 0.059 0 0 
       1  48 PRO QD  46 no 100.0  99.8  1.522  1.525 0.003 14  4 no 0.070 0 0 
       1  48 PRO QG 109 no 100.0 100.0  0.235  0.235 0.000  6  0 no 0.000 0 0 
       1  49 MET QG 139 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1  50 SER QB 167 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  51 LYS QD  98 no 100.0  99.5  0.423  0.425 0.002  7  2 no 0.070 0 0 
       1  51 LYS QG  27 no 100.0  99.9  0.563  0.563 0.000 16  4 no 0.034 0 0 
       1  53 ILE QG 166 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  54 LYS QB  75 no 100.0  99.9  0.711  0.711 0.000 10  0 no 0.053 0 0 
       1  55 ASP QB  18 no 100.0  99.7  3.729  3.740 0.010 19  5 no 0.156 0 0 
       1  56 LEU QB  45 no 100.0 100.0  1.232  1.232 0.000 14  4 no 0.039 0 0 
       1  56 LEU QD  31 no 100.0   0.0  0.000  0.002 0.002 16  6 no 0.063 0 0 
       1  57 VAL QG  54 no 100.0   0.0  0.000  0.001 0.001 12  0 no 0.074 0 0 
       1  60 LYS QB  33 no 100.0  99.9  2.204  2.207 0.003 15  0 no 0.114 0 0 
       1  60 LYS QG 138 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1  63 VAL QG  89 no 100.0   0.0  0.000  0.003 0.003  8  0 no 0.069 0 0 
       1  64 GLN QG 108 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.000 0 0 
       1  65 ASN QB  11 no 100.0  99.3  2.041  2.055 0.014 21  3 no 0.146 0 0 
       1  65 ASN QD  56 no 100.0 100.0  1.035  1.035 0.000 12  3 no 0.020 0 0 
       1  66 GLU QB  81 no 100.0 100.0  0.203  0.203 0.000  9  0 no 0.000 0 0 
       1  66 GLU QG 107 no 100.0   0.0  0.000  0.004 0.004  6  0 no 0.078 0 0 
       1  67 ILE QG 165 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  68 LEU QB 122 no 100.0   0.0  0.000  0.000 0.000  6  4 no 0.056 0 0 
       1  68 LEU QD  94 no 100.0   0.0  0.000  0.001 0.001  8  4 no 0.056 0 0 
       1  70 ASP QB 137 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.056 0 0 
       1  71 LEU QB 106 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.000 0 0 
       1  71 LEU QD  74 no  95.0   0.0  0.000  0.011 0.011 10  0 no 0.146 0 0 
       1  73 LYS QB 164 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  73 LYS QD 136 no 100.0   0.0  0.000  0.016 0.016  4  0 no 0.160 0 0 
       1  73 LYS QG  61 no 100.0 100.0  0.479  0.479 0.000 11  0 no 0.016 0 0 
       1  74 GLU QB 163 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  75 PHE QB 105 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.000 0 0 
       1  76 GLY QA 135 no 100.0  99.4  0.130  0.130 0.001  4  0 no 0.072 0 0 
       1  79 PRO QB  97 no 100.0  98.5  0.695  0.705 0.010  7  0 no 0.134 0 0 
       1  79 PRO QD   9 no 100.0  99.8  3.007  3.013 0.006 21  2 no 0.116 0 0 
       1  79 PRO QG  40 no 100.0  99.5  1.109  1.115 0.006 14  0 no 0.110 0 0 
       1  80 GLU QG 162 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  82 PRO QB 161 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.042 0 0 
       1  82 PRO QD 134 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1  83 GLU QG 133 no 100.0   0.0  0.000  0.004 0.004  4  0 no 0.142 0 0 
       1  84 GLU QG  48 no 100.0 100.0  2.623  2.623 0.000 13  0 no 0.044 0 0 
       1  86 PRO QB  88 no 100.0  99.5  2.205  2.216 0.011  8  0 no 0.148 0 0 
       1  87 LEU QB 132 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1  87 LEU QD 104 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.033 0 0 
       1  88 GLU QB 160 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  89 GLU QB  87 no 100.0 100.0  1.111  1.111 0.000  8  0 no 0.000 0 0 
       1  90 LEU QB  34 no 100.0  98.2  0.823  0.838 0.015 15  2 no 0.159 0 0 
       1  90 LEU QD   4 no   0.0   0.0  0.000  0.005 0.005 28  4 no 0.116 0 0 
       1  92 GLU QB  65 no 100.0 100.0  4.971  4.973 0.002 11  2 no 0.063 0 0 
       1  92 GLU QG 119 no   0.0   0.0  0.000  0.015 0.015  6  2 no 0.157 0 0 
       1  94 PHE QB  96 no 100.0 100.0  1.202  1.202 0.000  7  0 no 0.037 0 0 
       1  95 GLN QB  73 no 100.0  99.9  4.294  4.297 0.003 10  0 no 0.115 0 0 
       1  95 GLN QE 159 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1  96 ASP QB  24 no 100.0  99.9  4.697  4.704 0.006 16  0 no 0.070 0 0 
       1  98 PHE QB  72 no 100.0   0.0  0.000  0.000 0.000 10  0 no 0.000 0 0 
       1 100 GLY QA  44 no 100.0  99.7  1.218  1.222 0.004 14  4 no 0.123 0 0 
       1 102 LEU QB 121 no 100.0   0.0  0.000  0.000 0.000  6  4 no 0.000 0 0 
       1 102 LEU QD  32 no 100.0   0.0  0.000  0.000 0.000 16  8 no 0.037 0 0 
       1 103 GLY QA  50 no 100.0  99.9  2.445  2.447 0.002 13  2 no 0.091 0 0 
       1 104 LYS QB  90 no 100.0  99.9  2.400  2.402 0.001  8  2 no 0.071 0 0 
       1 104 LYS QG 103 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.000 0 0 
       1 105 GLN QB  93 no 100.0   0.0  0.000  0.000 0.000  8  4 no 0.032 0 0 
       1 105 GLN QE 148 no 100.0   0.0  0.000  0.000 0.000  4  4 no 0.025 0 0 
       1 107 SER QB 158 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 109 LEU QB  59 no 100.0 100.0  1.237  1.237 0.000 12  4 no 0.008 0 0 
       1 109 LEU QD  79 no 100.0   0.0  0.000  0.000 0.000 10  6 no 0.025 0 0 
       1 110 LEU QB 118 no 100.0   0.0  0.000  0.000 0.000  6  2 no 0.000 0 0 
       1 110 LEU QD   5 no 100.0 100.0 12.956 12.962 0.006 26  4 no 0.084 0 0 
       1 112 ARG QB  80 no 100.0  99.8  1.662  1.665 0.003  9  0 no 0.081 0 0 
       1 112 ARG QG 102 no 100.0   0.0  0.000  0.000 0.000  6  0 no 0.043 0 0 
       1 113 LEU QB 157 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 113 LEU QD 146 no 100.0   0.0  0.000  0.000 0.000  4  2 no 0.000 0 0 
       1 114 ILE QG  71 no 100.0 100.0  2.212  2.212 0.000 10  0 no 0.000 0 0 
       1 115 SER QB 101 no   0.0   0.0  0.000  0.001 0.001  6  0 no 0.075 0 0 
       1 116 SER QB 131 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1 118 MET QB 147 no 100.0   0.0  0.000  0.000 0.000  4  4 no 0.000 0 0 
       1 119 PRO QB 156 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 119 PRO QD  12 no 100.0  99.9  5.672  5.678 0.006 21  6 no 0.098 0 0 
       1 119 PRO QG  49 no 100.0  99.7  5.177  5.191 0.013 13  2 no 0.324 0 0 
       1 122 PHE QB 155 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 124 ILE QG  14 no 100.0  99.9  2.052  2.055 0.003 20  4 no 0.097 0 0 
       1 126 VAL QG  39 no 100.0   0.0  0.000  0.003 0.003 14  0 no 0.156 0 0 
       1 128 ARG QD  92 no 100.0   0.0  0.000  0.001 0.001  8  4 no 0.072 0 0 
       1 129 LYS QB  70 no 100.0 100.0  7.128  7.128 0.001 10  0 no 0.077 0 0 
       1 132 GLN QB  69 no 100.0  99.3  1.396  1.406 0.010 10  0 no 0.205 0 0 
       1 132 GLN QE 154 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 134 ARG QB 130 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1 134 ARG QD 153 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 135 TRP QB   8 no 100.0  99.8  2.027  2.031 0.004 22  8 no 0.138 0 0 
       1 137 LEU QD  58 no 100.0   0.0  0.000  0.000 0.000 12  4 no 0.023 0 0 
       1 138 PRO QD 129 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.025 0 0 
       1 138 PRO QG 152 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.018 0 0 
       1 139 SER QB 100 no   0.0   0.0  0.000  0.000 0.000  6  0 no 0.027 0 0 
       1 141 ARG QB 128 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.000 0 0 
       1 141 ARG QD  99 no 100.0   0.0  0.000  0.001 0.001  6  0 no 0.076 0 0 
       1 142 GLN QB 151 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 142 GLN QE 127 no 100.0   0.0  0.000  0.000 0.000  4  0 no 0.053 0 0 
       1 143 ASP QB  38 no 100.0 100.0  0.749  0.749 0.000 15  6 no 0.037 0 0 
       1 145 VAL QG  13 no   0.0   0.0  0.000  0.000 0.000 20  4 no 0.030 0 0 
       1 146 LEU QB  91 no 100.0   0.0  0.000  0.000 0.000  8  4 no 0.000 0 0 
       1 146 LEU QD  17 no 100.0 100.0  6.815  6.817 0.001 19  4 no 0.056 0 0 
       1 147 LEU QB 120 no 100.0   0.0  0.000  0.000 0.000  6  4 no 0.000 0 0 
       1 147 LEU QD  43 no 100.0   0.0  0.000  0.000 0.000 14  4 no 0.012 0 0 
       1 148 VAL QG   1 no 100.0 100.0 39.621 39.623 0.002 37 11 no 0.076 0 0 
       1 150 LEU QB  78 no 100.0   0.0  0.000  0.000 0.000 10  6 no 0.000 0 0 
       1 150 LEU QD  60 no 100.0   0.0  0.000  0.000 0.000 12  6 no 0.000 0 0 
       1 152 ASN QB  36 no 100.0  99.9  4.330  4.336 0.005 15  3 no 0.088 0 0 
       1 152 ASN QD  67 no 100.0  99.7  2.872  2.882 0.010 11  3 no 0.141 0 0 
       1 153 GLU QB 115 no 100.0 100.0  0.937  0.937 0.000  6  1 no 0.042 0 0 
       1 153 GLU QG 117 no 100.0   0.0  0.000  0.001 0.001  6  2 no 0.054 0 0 
       1 154 PRO QB  53 no 100.0 100.0  6.229  6.232 0.002 12  0 no 0.082 0 0 
       1 154 PRO QD  30 no 100.0 100.0  0.301  0.302 0.000 16  6 no 0.024 0 0 
       1 158 LEU QB  57 no 100.0 100.0  2.679  2.680 0.001 12  4 no 0.087 0 0 
       1 158 LEU QD   7 no 100.0   0.0  0.000  0.001 0.001 22  4 no 0.047 0 0 
       1 161 GLU QB 150 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 161 GLU QG  55 no   5.0   0.0  0.000  0.014 0.014 12  2 no 0.324 0 0 
       1 165 LYS QB  86 no 100.0 100.0  2.345  2.346 0.001  8  0 no 0.045 0 0 
       1 165 LYS QG  85 no 100.0   0.0  0.000  0.000 0.000  8  0 no 0.041 0 0 
       1 167 PHE QB  37 no 100.0 100.0  1.509  1.510 0.000 15  4 no 0.041 0 0 
       1 168 LEU QB 126 no 100.0 100.0  0.795  0.795 0.000  5  0 no 0.000 0 0 
       1 168 LEU QD  25 no 100.0   0.0  0.000  0.000 0.000 16  2 no 0.005 0 0 
       1 169 ASP QB  84 no 100.0   0.0  0.000  0.000 0.000  8  0 no 0.030 0 0 
       1 170 SER QB  52 no 100.0  99.5  3.126  3.141 0.015 12  0 no 0.157 0 0 
       1 173 GLN QB  66 no 100.0  99.8  2.525  2.530 0.005 11  3 no 0.090 0 0 
       1 173 GLN QE  82 no 100.0  99.7  0.659  0.661 0.002  9  2 no 0.064 0 0 
       1 173 GLN QG  10 no 100.0  99.7  1.435  1.439 0.004 21  3 no 0.069 0 0 
       1 174 LYS QB  28 no 100.0  99.8  1.922  1.925 0.003 16  5 no 0.088 0 0 
       1 174 LYS QG  26 no 100.0  99.8  2.895  2.900 0.005 16  4 no 0.090 0 0 
       1 175 TYR QB  16 no 100.0 100.0  2.082  2.082 0.000 20  9 no 0.000 0 0 
       1 178 ILE QG 149 no 100.0   0.0  0.000  0.000 0.000  2  0 no 0.000 0 0 
       1 179 VAL QG  68 no 100.0   0.0  0.000  0.001 0.001 10  0 no 0.062 0 0 
       1 180 GLY QA 176 no 100.0   0.0  0.000  0.000 0.000  2  2 no 0.000 0 0 
       1 181 VAL QG   2 no 100.0  99.9 19.148 19.166 0.018 36  5 no 0.136 0 0 
       1 182 ASP QB 116 no 100.0   0.0  0.000  0.012 0.012  6  2 no 0.230 0 0 
       1 183 LEU QB  29 no 100.0  99.9  1.815  1.816 0.001 16  6 no 0.081 0 0 
       1 183 LEU QD  21 no 100.0   0.0  0.000  0.002 0.002 18 10 no 0.098 0 0 
    stop_

save_



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