NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype
398721 1tqr cing 4-filtered-FRED Wattos check violation dihedral angle


data_1tqr


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              230
    _TA_constraint_stats_list.Viol_count                    73
    _TA_constraint_stats_list.Viol_total                    951.74
    _TA_constraint_stats_list.Viol_max                      5.73
    _TA_constraint_stats_list.Viol_rms                      0.40
    _TA_constraint_stats_list.Viol_average_all_restraints   0.05
    _TA_constraint_stats_list.Viol_average_violations_only  1.45
    _TA_constraint_stats_list.Cutoff_violation_report       5.00
    _TA_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * ID of the restraint list.                                                                 
*  3 * Number of restraints in list.                                                             
*  4 * Number of violated restraints (each model violation is used).                             
*  5 * Sum of violations in degrees.                                                             
*  6 * Maximum violation of a restraint without averaging in any way.                            
*  7 * Rms of violations over all restraints.                                                    
*  8 *  Average violation over all restraints.                                                   
*  9 *  Average violation over violated restraints.                                              
            This violation is averaged over only those models in which the restraint is violated.
            Threshold for reporting violations (degrees) in the last columns of the next table.     
*  10 * This tag.                                                                                

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                             
*  2 * Torsion angle name where available.                             
*  3 *     First atom's:                                               
*  4 * Chain identifier (can be absent if none defined)                
*  5 * Residue number                                                  
*  6 * Residue name                                                    
*  7 * Name of (pseudo-)atom                                           
*  8 *  Second thru fourth atom's identifiers occupy columns 7 thru 18.
*  19 * Lower bound (degrees)                                               
*  20 * Upper bound (degrees)                                               
*  21 * Average angle in ensemble of models                                 
*  22 * Minimum angle in ensemble of models (counter clockwise from range)  
*  23 * Maximum angle in ensemble of models         (clockwise from range)  
*  24 * Maximum violation (without any averaging)                           
*  25 * Model number with the maximum violation                             
*  26 * Number of models with a violation above cutoff                      
*  27 * List of models with a violation above cutoff. See description above.
*  28 * Administrative tag                                                  
*  29 * Administrative tag                                                  

;


    loop_
       _TA_constraint_stats.Restraint_ID
       _TA_constraint_stats.Torsion_angle_name
       _TA_constraint_stats.Entity_assembly_ID_1
       _TA_constraint_stats.Comp_index_ID_1
       _TA_constraint_stats.Comp_ID_1
       _TA_constraint_stats.Atom_ID_1
       _TA_constraint_stats.Entity_assembly_ID_2
       _TA_constraint_stats.Comp_index_ID_2
       _TA_constraint_stats.Comp_ID_2
       _TA_constraint_stats.Atom_ID_2
       _TA_constraint_stats.Entity_assembly_ID_3
       _TA_constraint_stats.Comp_index_ID_3
       _TA_constraint_stats.Comp_ID_3
       _TA_constraint_stats.Atom_ID_3
       _TA_constraint_stats.Entity_assembly_ID_4
       _TA_constraint_stats.Comp_index_ID_4
       _TA_constraint_stats.Comp_ID_4
       _TA_constraint_stats.Atom_ID_4
       _TA_constraint_stats.Angle_lower_bound_val
       _TA_constraint_stats.Angle_upper_bound_val
       _TA_constraint_stats.Angle_average
       _TA_constraint_stats.Angle_minimum
       _TA_constraint_stats.Angle_maximum
       _TA_constraint_stats.Max_violation
       _TA_constraint_stats.Max_violation_model_number
       _TA_constraint_stats.Over_cutoff_violation_count
       _TA_constraint_stats.Over_cutoff_violation_per_model

         1 . 1  1 DG O3' 1  2 DG P   1  2 DG O5' 1  2 DG C5' -110.00  -10.00  -68.68  -67.48  -71.31    . . 0 "[    .    ]" 
         2 . 1  2 DG O3' 1  3 DA P   1  3 DA O5' 1  3 DA C5' -110.00  -10.00  -61.80  -88.94  -39.89    . . 0 "[    .    ]" 
         3 . 1  3 DA O3' 1  4 DA P   1  4 DA O5' 1  4 DA C5' -110.00  -10.00  -62.12  -53.21  -60.69    . . 0 "[    .    ]" 
         4 . 1  4 DA O3' 1  5 DA P   1  5 DA O5' 1  5 DA C5' -110.00  -10.00  -56.81  -69.45  -28.09    . . 0 "[    .    ]" 
         5 . 1  5 DA O3' 1  6 DA P   1  6 DA O5' 1  6 DA C5' -110.00  -10.00  -42.96  -68.31  -32.01    . . 0 "[    .    ]" 
         6 . 1  6 DA O3' 1  7 DT P   1  7 DT O5' 1  7 DT C5' -110.00  -10.00  -41.73  -36.11  -40.77    . . 0 "[    .    ]" 
         7 . 1  7 DT O3' 1  8 DC P   1  8 DC O5' 1  8 DC C5' -110.00  -10.00  -62.69  -57.05  -59.84    . . 0 "[    .    ]" 
         8 . 1  8 DC O3' 1  9 DT P   1  9 DT O5' 1  9 DT C5' -110.00  -10.00  -46.29  -57.47  -39.23    . . 0 "[    .    ]" 
         9 . 1  9 DT O3' 1 10 DC P   1 10 DC O5' 1 10 DC C5' -110.00  -10.00  -76.69  -85.53  -69.32    . . 0 "[    .    ]" 
        10 . 1 10 DC O3' 1 11 DT P   1 11 DT O5' 1 11 DT C5' -110.00  -10.00  -63.16  -71.28  -52.89    . . 0 "[    .    ]" 
        11 . 1 11 DT O3' 1 12 DA P   1 12 DA O5' 1 12 DA C5' -110.00  -10.00  -58.04  -56.86  -62.09    . . 0 "[    .    ]" 
        12 . 1 12 DA O3' 1 13 DG P   1 13 DG O5' 1 13 DG C5' -110.00  -10.00  -49.28  -52.86  -42.95    . . 0 "[    .    ]" 
        13 . 1 13 DG O3' 1 14 DC P   1 14 DC O5' 1 14 DC C5' -110.00  -10.00  -49.43  -54.30  -58.36    . . 0 "[    .    ]" 
        14 . 1 14 DC O3' 1 15 DA P   1 15 DA O5' 1 15 DA C5' -110.00  -10.00  -54.84  -58.18  -51.45    . . 0 "[    .    ]" 
        15 . 1 15 DA O3' 1 16 DG P   1 16 DG O5' 1 16 DG C5' -110.00  -10.00  -45.04  -50.94  -57.93    . . 0 "[    .    ]" 
        16 . 1 16 DG O3' 1 17 DT P   1 17 DT O5' 1 17 DT C5' -110.00  -10.00  -44.25  -48.87  -42.62    . . 0 "[    .    ]" 
        17 . 2  1 DA O3' 2  2 DC P   2  2 DC O5' 2  2 DC C5' -110.00  -10.00  -36.77  -40.84  -33.04    . . 0 "[    .    ]" 
        18 . 2  2 DC O3' 2  3 DT P   2  3 DT O5' 2  3 DT C5' -110.00  -10.00  -41.01  -39.69  -41.31    . . 0 "[    .    ]" 
        19 . 2  3 DT O3' 2  4 DG P   2  4 DG O5' 2  4 DG C5' -110.00  -10.00  -60.46  -67.12  -46.89    . . 0 "[    .    ]" 
        20 . 2  4 DG O3' 2  5 DC P   2  5 DC O5' 2  5 DC C5' -110.00  -10.00  -59.53  -62.34  -75.78    . . 0 "[    .    ]" 
        21 . 2  5 DC O3' 2  6 DT P   2  6 DT O5' 2  6 DT C5' -110.00  -10.00  -56.70  -61.01  -64.67    . . 0 "[    .    ]" 
        22 . 2  6 DT O3' 2  7 DA P   2  7 DA O5' 2  7 DA C5' -110.00  -10.00  -67.34  -80.80  -58.21    . . 0 "[    .    ]" 
        23 . 2  7 DA O3' 2  8 DG P   2  8 DG O5' 2  8 DG C5' -110.00  -10.00  -53.14  -60.32  -45.33    . . 0 "[    .    ]" 
        24 . 2  8 DG O3' 2  9 DA P   2  9 DA O5' 2  9 DA C5' -110.00  -10.00  -72.48  -81.13  -61.43    . . 0 "[    .    ]" 
        25 . 2  9 DA O3' 2 10 DG P   2 10 DG O5' 2 10 DG C5' -110.00  -10.00  -54.36  -78.07  -39.81    . . 0 "[    .    ]" 
        26 . 2 10 DG O3' 2 11 DA P   2 11 DA O5' 2 11 DA C5' -110.00  -10.00  -53.19  -64.19  -44.54    . . 0 "[    .    ]" 
        27 . 2 11 DA O3' 2 12 DT P   2 12 DT O5' 2 12 DT C5' -110.00  -10.00  -65.13  -58.81  -64.56    . . 0 "[    .    ]" 
        28 . 2 12 DT O3' 2 13 DT P   2 13 DT O5' 2 13 DT C5' -110.00  -10.00  -47.79  -56.70  -41.24    . . 0 "[    .    ]" 
        29 . 2 13 DT O3' 2 14 DT P   2 14 DT O5' 2 14 DT C5' -110.00  -10.00  -67.72  -96.99  -55.95    . . 0 "[    .    ]" 
        30 . 2 14 DT O3' 2 15 DT P   2 15 DT O5' 2 15 DT C5' -110.00  -10.00  -56.04  -51.03  -54.60    . . 0 "[    .    ]" 
        31 . 2 15 DT O3' 2 16 DC P   2 16 DC O5' 2 16 DC C5' -110.00  -10.00  -72.09  -69.15  -73.81    . . 0 "[    .    ]" 
        32 . 2 16 DC O3' 2 17 DC P   2 17 DC O5' 2 17 DC C5' -110.00  -10.00  -75.54  -75.55  -78.29    . . 0 "[    .    ]" 
        33 . 1  2 DG P   1  2 DG O5' 1  2 DG C5' 1  2 DG C4'  125.00 -135.00  167.61  159.42  179.07    . . 0 "[    .    ]" 
        34 . 1  3 DA P   1  3 DA O5' 1  3 DA C5' 1  3 DA C4'  125.00 -135.00  172.45  166.85  179.74    . . 0 "[    .    ]" 
        35 . 1  4 DA P   1  4 DA O5' 1  4 DA C5' 1  4 DA C4'  125.00 -135.00  172.80  167.64  156.33    . . 0 "[    .    ]" 
        36 . 1  5 DA P   1  5 DA O5' 1  5 DA C5' 1  5 DA C4'  125.00 -135.00  172.29 -160.23 -171.60    . . 0 "[    .    ]" 
        37 . 1  6 DA P   1  6 DA O5' 1  6 DA C5' 1  6 DA C4'  125.00 -135.00  171.18 -179.56  172.75    . . 0 "[    .    ]" 
        38 . 1  7 DT P   1  7 DT O5' 1  7 DT C5' 1  7 DT C4'  125.00 -135.00 -166.86 -164.71 -168.83    . . 0 "[    .    ]" 
        39 . 1  8 DC P   1  8 DC O5' 1  8 DC C5' 1  8 DC C4'  125.00 -135.00  176.27  168.77 -171.31    . . 0 "[    .    ]" 
        40 . 1  9 DT P   1  9 DT O5' 1  9 DT C5' 1  9 DT C4'  125.00 -135.00  169.36  172.74  170.88    . . 0 "[    .    ]" 
        41 . 1 10 DC P   1 10 DC O5' 1 10 DC C5' 1 10 DC C4'  125.00 -135.00 -169.87 -172.28 -173.98    . . 0 "[    .    ]" 
        42 . 1 11 DT P   1 11 DT O5' 1 11 DT C5' 1 11 DT C4'  125.00 -135.00 -172.43 -177.47 -167.02    . . 0 "[    .    ]" 
        43 . 1 12 DA P   1 12 DA O5' 1 12 DA C5' 1 12 DA C4'  125.00 -135.00 -167.42 -173.92 -153.97    . . 0 "[    .    ]" 
        44 . 1 13 DG P   1 13 DG O5' 1 13 DG C5' 1 13 DG C4'  125.00 -135.00 -167.96 -165.71 -177.61    . . 0 "[    .    ]" 
        45 . 1 14 DC P   1 14 DC O5' 1 14 DC C5' 1 14 DC C4'  125.00 -135.00  150.87  143.08  171.61    . . 0 "[    .    ]" 
        46 . 1 15 DA P   1 15 DA O5' 1 15 DA C5' 1 15 DA C4'  125.00 -135.00 -161.74 -162.43 -163.58    . . 0 "[    .    ]" 
        47 . 1 16 DG P   1 16 DG O5' 1 16 DG C5' 1 16 DG C4'  125.00 -135.00 -161.19 -165.24 -152.24    . . 0 "[    .    ]" 
        48 . 1 17 DT P   1 17 DT O5' 1 17 DT C5' 1 17 DT C4'  125.00 -135.00  139.40  139.85  139.67    . . 0 "[    .    ]" 
        49 . 2  2 DC P   2  2 DC O5' 2  2 DC C5' 2  2 DC C4'  125.00 -135.00  151.97  147.91  155.61    . . 0 "[    .    ]" 
        50 . 2  3 DT P   2  3 DT O5' 2  3 DT C5' 2  3 DT C4'  125.00 -135.00  178.93  177.51  173.50    . . 0 "[    .    ]" 
        51 . 2  4 DG P   2  4 DG O5' 2  4 DG C5' 2  4 DG C4'  125.00 -135.00 -157.99 -171.16  178.82    . . 0 "[    .    ]" 
        52 . 2  5 DC P   2  5 DC O5' 2  5 DC C5' 2  5 DC C4'  125.00 -135.00  153.68  141.55 -174.79    . . 0 "[    .    ]" 
        53 . 2  6 DT P   2  6 DT O5' 2  6 DT C5' 2  6 DT C4'  125.00 -135.00 -175.89  178.15 -155.50    . . 0 "[    .    ]" 
        54 . 2  7 DA P   2  7 DA O5' 2  7 DA C5' 2  7 DA C4'  125.00 -135.00 -175.24 -178.70  174.97    . . 0 "[    .    ]" 
        55 . 2  8 DG P   2  8 DG O5' 2  8 DG C5' 2  8 DG C4'  125.00 -135.00 -179.78 -178.20 -178.58    . . 0 "[    .    ]" 
        56 . 2  9 DA P   2  9 DA O5' 2  9 DA C5' 2  9 DA C4'  125.00 -135.00 -179.53  172.28 -170.99    . . 0 "[    .    ]" 
        57 . 2 10 DG P   2 10 DG O5' 2 10 DG C5' 2 10 DG C4'  125.00 -135.00 -177.18 -134.58 -179.87 1.11 5 0 "[    .    ]" 
        58 . 2 11 DA P   2 11 DA O5' 2 11 DA C5' 2 11 DA C4'  125.00 -135.00  136.87  134.31  138.00    . . 0 "[    .    ]" 
        59 . 2 12 DT P   2 12 DT O5' 2 12 DT C5' 2 12 DT C4'  125.00 -135.00 -168.83 -177.40 -163.24    . . 0 "[    .    ]" 
        60 . 2 13 DT P   2 13 DT O5' 2 13 DT C5' 2 13 DT C4'  125.00 -135.00 -178.12  178.58 -172.91    . . 0 "[    .    ]" 
        61 . 2 14 DT P   2 14 DT O5' 2 14 DT C5' 2 14 DT C4'  125.00 -135.00  176.67 -178.70  173.22    . . 0 "[    .    ]" 
        62 . 2 15 DT P   2 15 DT O5' 2 15 DT C5' 2 15 DT C4'  125.00 -135.00  163.15  169.28  162.39    . . 0 "[    .    ]" 
        63 . 2 16 DC P   2 16 DC O5' 2 16 DC C5' 2 16 DC C4'  125.00 -135.00 -164.66 -164.07 -171.35    . . 0 "[    .    ]" 
        64 . 2 17 DC P   2 17 DC O5' 2 17 DC C5' 2 17 DC C4'  125.00 -135.00  164.24  160.17  159.12    . . 0 "[    .    ]" 
        65 . 1  1 DG O5' 1  1 DG C5' 1  1 DG C4' 1  1 DG C3'   30.00   90.00   71.02   52.35   81.32    . . 0 "[    .    ]" 
        66 . 1  2 DG O5' 1  2 DG C5' 1  2 DG C4' 1  2 DG C3'   30.00   90.00   64.95   60.08   71.46    . . 0 "[    .    ]" 
        67 . 1  3 DA O5' 1  3 DA C5' 1  3 DA C4' 1  3 DA C3'   30.00   90.00   59.92   55.80   53.89    . . 0 "[    .    ]" 
        68 . 1  4 DA O5' 1  4 DA C5' 1  4 DA C4' 1  4 DA C3'   30.00   90.00   56.25   32.71   72.33    . . 0 "[    .    ]" 
        69 . 1  5 DA O5' 1  5 DA C5' 1  5 DA C4' 1  5 DA C3'   30.00   90.00   45.03   39.32   50.47    . . 0 "[    .    ]" 
        70 . 1  6 DA O5' 1  6 DA C5' 1  6 DA C4' 1  6 DA C3'   30.00   90.00   50.46   56.27   49.44    . . 0 "[    .    ]" 
        71 . 1  7 DT O5' 1  7 DT C5' 1  7 DT C4' 1  7 DT C3'   30.00   90.00   44.84   40.88   49.25    . . 0 "[    .    ]" 
        72 . 1  8 DC O5' 1  8 DC C5' 1  8 DC C4' 1  8 DC C3'   30.00   90.00   47.99   46.33   46.20    . . 0 "[    .    ]" 
        73 . 1  9 DT O5' 1  9 DT C5' 1  9 DT C4' 1  9 DT C3'   30.00   90.00   48.90   56.05   51.42    . . 0 "[    .    ]" 
        74 . 1 10 DC O5' 1 10 DC C5' 1 10 DC C4' 1 10 DC C3'   30.00   90.00   57.30   63.94   63.19    . . 0 "[    .    ]" 
        75 . 1 11 DT O5' 1 11 DT C5' 1 11 DT C4' 1 11 DT C3'   30.00   90.00   49.71   51.99   48.90    . . 0 "[    .    ]" 
        76 . 1 12 DA O5' 1 12 DA C5' 1 12 DA C4' 1 12 DA C3'   30.00   90.00   37.62   42.49   39.68    . . 0 "[    .    ]" 
        77 . 1 13 DG O5' 1 13 DG C5' 1 13 DG C4' 1 13 DG C3'   30.00   90.00   40.29   33.89   48.66    . . 0 "[    .    ]" 
        78 . 1 14 DC O5' 1 14 DC C5' 1 14 DC C4' 1 14 DC C3'   30.00   90.00   58.79   51.41   66.26    . . 0 "[    .    ]" 
        79 . 1 15 DA O5' 1 15 DA C5' 1 15 DA C4' 1 15 DA C3'   30.00   90.00   29.79   29.95   29.81 0.70 6 0 "[    .    ]" 
        80 . 1 16 DG O5' 1 16 DG C5' 1 16 DG C4' 1 16 DG C3'   30.00   90.00   37.07   35.47   40.43    . . 0 "[    .    ]" 
        81 . 1 17 DT O5' 1 17 DT C5' 1 17 DT C4' 1 17 DT C3'   30.00   90.00   30.21   28.85   35.48 1.15 3 0 "[    .    ]" 
        82 . 2  1 DA O5' 2  1 DA C5' 2  1 DA C4' 2  1 DA C3'   30.00   90.00   78.72   41.48   90.59 0.59 9 0 "[    .    ]" 
        83 . 2  2 DC O5' 2  2 DC C5' 2  2 DC C4' 2  2 DC C3'   30.00   90.00   53.94   50.85   60.53    . . 0 "[    .    ]" 
        84 . 2  3 DT O5' 2  3 DT C5' 2  3 DT C4' 2  3 DT C3'   30.00   90.00   42.21   41.23   40.81    . . 0 "[    .    ]" 
        85 . 2  4 DG O5' 2  4 DG C5' 2  4 DG C4' 2  4 DG C3'   30.00   90.00   35.19   29.29   50.88 0.71 5 0 "[    .    ]" 
        86 . 2  5 DC O5' 2  5 DC C5' 2  5 DC C4' 2  5 DC C3'   30.00   90.00   66.17   71.29   68.68    . . 0 "[    .    ]" 
        87 . 2  6 DT O5' 2  6 DT C5' 2  6 DT C4' 2  6 DT C3'   30.00   90.00   49.83   51.83   48.48    . . 0 "[    .    ]" 
        88 . 2  7 DA O5' 2  7 DA C5' 2  7 DA C4' 2  7 DA C3'   30.00   90.00   50.94   59.45   56.67    . . 0 "[    .    ]" 
        89 . 2  8 DG O5' 2  8 DG C5' 2  8 DG C4' 2  8 DG C3'   30.00   90.00   47.73   49.41   45.55    . . 0 "[    .    ]" 
        90 . 2  9 DA O5' 2  9 DA C5' 2  9 DA C4' 2  9 DA C3'   30.00   90.00   62.01   74.91   63.32    . . 0 "[    .    ]" 
        91 . 2 10 DG O5' 2 10 DG C5' 2 10 DG C4' 2 10 DG C3'   30.00   90.00   40.95   29.74   55.59 0.26 5 0 "[    .    ]" 
        92 . 2 11 DA O5' 2 11 DA C5' 2 11 DA C4' 2 11 DA C3'   30.00   90.00   71.54   83.92   73.64    . . 0 "[    .    ]" 
        93 . 2 12 DT O5' 2 12 DT C5' 2 12 DT C4' 2 12 DT C3'   30.00   90.00   55.54   48.00   60.33    . . 0 "[    .    ]" 
        94 . 2 13 DT O5' 2 13 DT C5' 2 13 DT C4' 2 13 DT C3'   30.00   90.00   36.02   42.94   37.93    . . 0 "[    .    ]" 
        95 . 2 14 DT O5' 2 14 DT C5' 2 14 DT C4' 2 14 DT C3'   30.00   90.00   63.36   46.38   90.08 0.08 9 0 "[    .    ]" 
        96 . 2 15 DT O5' 2 15 DT C5' 2 15 DT C4' 2 15 DT C3'   30.00   90.00   65.21   55.43   87.62    . . 0 "[    .    ]" 
        97 . 2 16 DC O5' 2 16 DC C5' 2 16 DC C4' 2 16 DC C3'   30.00   90.00   47.89   39.85   56.89    . . 0 "[    .    ]" 
        98 . 2 17 DC O5' 2 17 DC C5' 2 17 DC C4' 2 17 DC C3'   30.00   90.00   57.48   47.55   65.36    . . 0 "[    .    ]" 
        99 . 1  1 DG C4' 1  1 DG C3' 1  1 DG O3' 1  2 DG P    120.00 -140.00 -170.77  175.92 -161.70    . . 0 "[    .    ]" 
       100 . 1  2 DG C4' 1  2 DG C3' 1  2 DG O3' 1  3 DA P    120.00 -140.00 -178.37 -175.63 -178.04    . . 0 "[    .    ]" 
       101 . 1  3 DA C4' 1  3 DA C3' 1  3 DA O3' 1  4 DA P    120.00 -140.00 -176.74  170.28 -164.82    . . 0 "[    .    ]" 
       102 . 1  4 DA C4' 1  4 DA C3' 1  4 DA O3' 1  5 DA P    120.00 -140.00 -176.56  172.31 -170.57    . . 0 "[    .    ]" 
       103 . 1  5 DA C4' 1  5 DA C3' 1  5 DA O3' 1  6 DA P    120.00 -140.00  169.97  172.56  167.55    . . 0 "[    .    ]" 
       104 . 1  6 DA C4' 1  6 DA C3' 1  6 DA O3' 1  7 DT P    120.00 -140.00  164.20  150.12  173.21    . . 0 "[    .    ]" 
       105 . 1  7 DT C4' 1  7 DT C3' 1  7 DT O3' 1  8 DC P    120.00 -140.00  179.70 -176.57 -178.08    . . 0 "[    .    ]" 
       106 . 1  8 DC C4' 1  8 DC C3' 1  8 DC O3' 1  9 DT P    120.00 -140.00  177.14  155.90 -173.98    . . 0 "[    .    ]" 
       107 . 1  9 DT C4' 1  9 DT C3' 1  9 DT O3' 1 10 DC P    120.00 -140.00  173.26  176.40  173.88    . . 0 "[    .    ]" 
       108 . 1 10 DC C4' 1 10 DC C3' 1 10 DC O3' 1 11 DT P    120.00 -140.00  173.77  175.10  174.40    . . 0 "[    .    ]" 
       109 . 1 11 DT C4' 1 11 DT C3' 1 11 DT O3' 1 12 DA P    120.00 -140.00  176.17  172.94  177.75    . . 0 "[    .    ]" 
       110 . 1 12 DA C4' 1 12 DA C3' 1 12 DA O3' 1 13 DG P    120.00 -140.00  169.81  164.82  175.67    . . 0 "[    .    ]" 
       111 . 1 13 DG C4' 1 13 DG C3' 1 13 DG O3' 1 14 DC P    120.00 -140.00 -168.11 -170.86 -177.02    . . 0 "[    .    ]" 
       112 . 1 14 DC C4' 1 14 DC C3' 1 14 DC O3' 1 15 DA P    120.00 -140.00  175.07  172.86  178.37    . . 0 "[    .    ]" 
       113 . 1 15 DA C4' 1 15 DA C3' 1 15 DA O3' 1 16 DG P    120.00 -140.00  169.05  168.44  166.38    . . 0 "[    .    ]" 
       114 . 1 16 DG C4' 1 16 DG C3' 1 16 DG O3' 1 17 DT P    120.00 -140.00 -137.13 -137.84 -139.18 4.39 3 0 "[    .    ]" 
       115 . 2  1 DA C4' 2  1 DA C3' 2  1 DA O3' 2  2 DC P    120.00 -140.00 -178.57 -175.91 -178.86    . . 0 "[    .    ]" 
       116 . 2  2 DC C4' 2  2 DC C3' 2  2 DC O3' 2  3 DT P    120.00 -140.00 -179.41  176.80 -172.60    . . 0 "[    .    ]" 
       117 . 2  3 DT C4' 2  3 DT C3' 2  3 DT O3' 2  4 DG P    120.00 -140.00  175.45  168.38 -176.98    . . 0 "[    .    ]" 
       118 . 2  4 DG C4' 2  4 DG C3' 2  4 DG O3' 2  5 DC P    120.00 -140.00 -168.60 -176.26  177.45    . . 0 "[    .    ]" 
       119 . 2  5 DC C4' 2  5 DC C3' 2  5 DC O3' 2  6 DT P    120.00 -140.00  176.52  176.00  174.40    . . 0 "[    .    ]" 
       120 . 2  6 DT C4' 2  6 DT C3' 2  6 DT O3' 2  7 DA P    120.00 -140.00  178.75  175.64 -178.54    . . 0 "[    .    ]" 
       121 . 2  7 DA C4' 2  7 DA C3' 2  7 DA O3' 2  8 DG P    120.00 -140.00  178.15  175.06 -175.51    . . 0 "[    .    ]" 
       122 . 2  8 DG C4' 2  8 DG C3' 2  8 DG O3' 2  9 DA P    120.00 -140.00 -176.64 -176.85 -178.23    . . 0 "[    .    ]" 
       123 . 2  9 DA C4' 2  9 DA C3' 2  9 DA O3' 2 10 DG P    120.00 -140.00  179.09  169.16 -174.56    . . 0 "[    .    ]" 
       124 . 2 10 DG C4' 2 10 DG C3' 2 10 DG O3' 2 11 DA P    120.00 -140.00 -166.87 -175.40 -161.37    . . 0 "[    .    ]" 
       125 . 2 11 DA C4' 2 11 DA C3' 2 11 DA O3' 2 12 DT P    120.00 -140.00  170.88  172.89  170.67    . . 0 "[    .    ]" 
       126 . 2 12 DT C4' 2 12 DT C3' 2 12 DT O3' 2 13 DT P    120.00 -140.00 -178.54  176.31 -176.39    . . 0 "[    .    ]" 
       127 . 2 13 DT C4' 2 13 DT C3' 2 13 DT O3' 2 14 DT P    120.00 -140.00 -179.34  173.36 -174.89    . . 0 "[    .    ]" 
       128 . 2 14 DT C4' 2 14 DT C3' 2 14 DT O3' 2 15 DT P    120.00 -140.00 -177.30  173.59 -166.38    . . 0 "[    .    ]" 
       129 . 2 15 DT C4' 2 15 DT C3' 2 15 DT O3' 2 16 DC P    120.00 -140.00  175.58  164.27 -177.55    . . 0 "[    .    ]" 
       130 . 2 16 DC C4' 2 16 DC C3' 2 16 DC O3' 2 17 DC P    120.00 -140.00 -172.29  178.01 -165.50    . . 0 "[    .    ]" 
       131 . 1  1 DG C3' 1  1 DG O3' 1  2 DG P   1  2 DG O5' -135.00  -35.00 -109.91 -111.25 -112.93    . . 0 "[    .    ]" 
       132 . 1  2 DG C3' 1  2 DG O3' 1  3 DA P   1  3 DA O5' -135.00  -35.00 -117.78 -116.76 -117.87    . . 0 "[    .    ]" 
       133 . 1  3 DA C3' 1  3 DA O3' 1  4 DA P   1  4 DA O5' -135.00  -35.00 -113.74 -101.61 -123.08 1.73 7 0 "[    .    ]" 
       134 . 1  4 DA C3' 1  4 DA O3' 1  5 DA P   1  5 DA O5' -135.00  -35.00 -100.75 -133.31  -81.07    . . 0 "[    .    ]" 
       135 . 1  5 DA C3' 1  5 DA O3' 1  6 DA P   1  6 DA O5' -135.00  -35.00  -96.11 -108.44  -89.41    . . 0 "[    .    ]" 
       136 . 1  6 DA C3' 1  6 DA O3' 1  7 DT P   1  7 DT O5' -135.00  -35.00 -101.09  -96.20 -101.83    . . 0 "[    .    ]" 
       137 . 1  7 DT C3' 1  7 DT O3' 1  8 DC P   1  8 DC O5' -135.00  -35.00  -91.11  -91.52  -92.38    . . 0 "[    .    ]" 
       138 . 1  8 DC C3' 1  8 DC O3' 1  9 DT P   1  9 DT O5' -135.00  -35.00 -119.08 -120.60 -122.66    . . 0 "[    .    ]" 
       139 . 1  9 DT C3' 1  9 DT O3' 1 10 DC P   1 10 DC O5' -135.00  -35.00  -94.92  -96.41 -100.24    . . 0 "[    .    ]" 
       140 . 1 10 DC C3' 1 10 DC O3' 1 11 DT P   1 11 DT O5' -135.00  -35.00 -107.53 -110.61 -105.75    . . 0 "[    .    ]" 
       141 . 1 11 DT C3' 1 11 DT O3' 1 12 DA P   1 12 DA O5' -135.00  -35.00  -96.04 -102.73  -88.65    . . 0 "[    .    ]" 
       142 . 1 12 DA C3' 1 12 DA O3' 1 13 DG P   1 13 DG O5' -135.00  -35.00 -100.60 -101.50 -103.43    . . 0 "[    .    ]" 
       143 . 1 13 DG C3' 1 13 DG O3' 1 14 DC P   1 14 DC O5' -135.00  -35.00 -131.98 -135.96 -119.91 0.96 5 0 "[    .    ]" 
       144 . 1 14 DC C3' 1 14 DC O3' 1 15 DA P   1 15 DA O5' -135.00  -35.00  -96.65  -96.15  -97.73    . . 0 "[    .    ]" 
       145 . 1 15 DA C3' 1 15 DA O3' 1 16 DG P   1 16 DG O5' -135.00  -35.00  -99.40 -102.64  -92.89    . . 0 "[    .    ]" 
       146 . 1 16 DG C3' 1 16 DG O3' 1 17 DT P   1 17 DT O5' -135.00  -35.00 -139.81 -139.86 -140.65 5.73 9 2 "[-   .   +]" 
       147 . 2  1 DA C3' 2  1 DA O3' 2  2 DC P   2  2 DC O5' -135.00  -35.00 -128.59 -132.12 -124.44    . . 0 "[    .    ]" 
       148 . 2  2 DC C3' 2  2 DC O3' 2  3 DT P   2  3 DT O5' -135.00  -35.00 -114.48 -116.83 -119.27    . . 0 "[    .    ]" 
       149 . 2  3 DT C3' 2  3 DT O3' 2  4 DG P   2  4 DG O5' -135.00  -35.00  -96.77  -94.98 -105.89    . . 0 "[    .    ]" 
       150 . 2  4 DG C3' 2  4 DG O3' 2  5 DC P   2  5 DC O5' -135.00  -35.00 -131.14 -136.09 -113.76 1.09 9 0 "[    .    ]" 
       151 . 2  5 DC C3' 2  5 DC O3' 2  6 DT P   2  6 DT O5' -135.00  -35.00 -103.97 -110.79  -94.58    . . 0 "[    .    ]" 
       152 . 2  6 DT C3' 2  6 DT O3' 2  7 DA P   2  7 DA O5' -135.00  -35.00 -103.23 -104.13 -106.38    . . 0 "[    .    ]" 
       153 . 2  7 DA C3' 2  7 DA O3' 2  8 DG P   2  8 DG O5' -135.00  -35.00 -108.30 -106.63 -107.22    . . 0 "[    .    ]" 
       154 . 2  8 DG C3' 2  8 DG O3' 2  9 DA P   2  9 DA O5' -135.00  -35.00 -119.13 -123.78 -114.87    . . 0 "[    .    ]" 
       155 . 2  9 DA C3' 2  9 DA O3' 2 10 DG P   2 10 DG O5' -135.00  -35.00 -102.18  -84.36 -104.34    . . 0 "[    .    ]" 
       156 . 2 10 DG C3' 2 10 DG O3' 2 11 DA P   2 11 DA O5' -135.00  -35.00 -135.85 -135.58 -135.59 1.71 5 0 "[    .    ]" 
       157 . 2 11 DA C3' 2 11 DA O3' 2 12 DT P   2 12 DT O5' -135.00  -35.00 -100.55 -106.61  -96.82    . . 0 "[    .    ]" 
       158 . 2 12 DT C3' 2 12 DT O3' 2 13 DT P   2 13 DT O5' -135.00  -35.00 -113.39 -113.66 -114.29    . . 0 "[    .    ]" 
       159 . 2 13 DT C3' 2 13 DT O3' 2 14 DT P   2 14 DT O5' -135.00  -35.00 -121.99 -110.89 -119.74    . . 0 "[    .    ]" 
       160 . 2 14 DT C3' 2 14 DT O3' 2 15 DT P   2 15 DT O5' -135.00  -35.00 -120.75 -116.61 -117.52    . . 0 "[    .    ]" 
       161 . 2 15 DT C3' 2 15 DT O3' 2 16 DC P   2 16 DC O5' -135.00  -35.00  -94.91  -94.28  -94.62    . . 0 "[    .    ]" 
       162 . 2 16 DC C3' 2 16 DC O3' 2 17 DC P   2 17 DC O5' -135.00  -35.00 -119.00 -125.22 -111.81    . . 0 "[    .    ]" 
       163 . 1  1 DG C5' 1  1 DG C4' 1  1 DG C3' 1  1 DG O3'   95.00  175.00  139.92  135.64  147.16    . . 0 "[    .    ]" 
       164 . 1  2 DG C5' 1  2 DG C4' 1  2 DG C3' 1  2 DG O3'   95.00  175.00  137.71  133.54  146.61    . . 0 "[    .    ]" 
       165 . 1  3 DA C5' 1  3 DA C4' 1  3 DA C3' 1  3 DA O3'   95.00  175.00  140.86  134.15  146.73    . . 0 "[    .    ]" 
       166 . 1  4 DA C5' 1  4 DA C4' 1  4 DA C3' 1  4 DA O3'   95.00  175.00  140.98  132.14  148.64    . . 0 "[    .    ]" 
       167 . 1  5 DA C5' 1  5 DA C4' 1  5 DA C3' 1  5 DA O3'   95.00  175.00  120.99  131.83  117.86    . . 0 "[    .    ]" 
       168 . 1  6 DA C5' 1  6 DA C4' 1  6 DA C3' 1  6 DA O3'   95.00  175.00  121.57  111.02  135.95    . . 0 "[    .    ]" 
       169 . 1  7 DT C5' 1  7 DT C4' 1  7 DT C3' 1  7 DT O3'   95.00  175.00  147.72  146.74  145.52    . . 0 "[    .    ]" 
       170 . 1  8 DC C5' 1  8 DC C4' 1  8 DC C3' 1  8 DC O3'   95.00  175.00  129.40  111.18  144.97    . . 0 "[    .    ]" 
       171 . 1  9 DT C5' 1  9 DT C4' 1  9 DT C3' 1  9 DT O3'   95.00  175.00  141.18  142.20  141.59    . . 0 "[    .    ]" 
       172 . 1 10 DC C5' 1 10 DC C4' 1 10 DC C3' 1 10 DC O3'   95.00  175.00  145.46  143.81  147.38    . . 0 "[    .    ]" 
       173 . 1 11 DT C5' 1 11 DT C4' 1 11 DT C3' 1 11 DT O3'   95.00  175.00  137.45  130.06  142.04    . . 0 "[    .    ]" 
       174 . 1 12 DA C5' 1 12 DA C4' 1 12 DA C3' 1 12 DA O3'   95.00  175.00  137.20  132.34  142.97    . . 0 "[    .    ]" 
       175 . 1 13 DG C5' 1 13 DG C4' 1 13 DG C3' 1 13 DG O3'   95.00  175.00  143.18  142.77  139.53    . . 0 "[    .    ]" 
       176 . 1 14 DC C5' 1 14 DC C4' 1 14 DC C3' 1 14 DC O3'   95.00  175.00  141.10  136.80  145.16    . . 0 "[    .    ]" 
       177 . 1 15 DA C5' 1 15 DA C4' 1 15 DA C3' 1 15 DA O3'   95.00  175.00  144.03  141.26  148.28    . . 0 "[    .    ]" 
       178 . 1 16 DG C5' 1 16 DG C4' 1 16 DG C3' 1 16 DG O3'   95.00  175.00  141.61  142.73  142.22    . . 0 "[    .    ]" 
       179 . 1 17 DT C5' 1 17 DT C4' 1 17 DT C3' 1 17 DT O3'   95.00  175.00  111.85  112.99  112.26    . . 0 "[    .    ]" 
       180 . 2  1 DA C5' 2  1 DA C4' 2  1 DA C3' 2  1 DA O3'   95.00  175.00  144.20  141.40  145.18    . . 0 "[    .    ]" 
       181 . 2  2 DC C5' 2  2 DC C4' 2  2 DC C3' 2  2 DC O3'   95.00  175.00  146.24  144.99  147.52    . . 0 "[    .    ]" 
       182 . 2  3 DT C5' 2  3 DT C4' 2  3 DT C3' 2  3 DT O3'   95.00  175.00  139.39  139.46  137.74    . . 0 "[    .    ]" 
       183 . 2  4 DG C5' 2  4 DG C4' 2  4 DG C3' 2  4 DG O3'   95.00  175.00  145.83  143.62  141.34    . . 0 "[    .    ]" 
       184 . 2  5 DC C5' 2  5 DC C4' 2  5 DC C3' 2  5 DC O3'   95.00  175.00  139.42  135.30  144.81    . . 0 "[    .    ]" 
       185 . 2  6 DT C5' 2  6 DT C4' 2  6 DT C3' 2  6 DT O3'   95.00  175.00  139.44  137.94  142.42    . . 0 "[    .    ]" 
       186 . 2  7 DA C5' 2  7 DA C4' 2  7 DA C3' 2  7 DA O3'   95.00  175.00  139.03  139.10  134.04    . . 0 "[    .    ]" 
       187 . 2  8 DG C5' 2  8 DG C4' 2  8 DG C3' 2  8 DG O3'   95.00  175.00  139.78  131.87  143.38    . . 0 "[    .    ]" 
       188 . 2  9 DA C5' 2  9 DA C4' 2  9 DA C3' 2  9 DA O3'   95.00  175.00  142.91  138.99  145.83    . . 0 "[    .    ]" 
       189 . 2 10 DG C5' 2 10 DG C4' 2 10 DG C3' 2 10 DG O3'   95.00  175.00  135.60  153.19  136.00    . . 0 "[    .    ]" 
       190 . 2 11 DA C5' 2 11 DA C4' 2 11 DA C3' 2 11 DA O3'   95.00  175.00  136.21  136.96  136.53    . . 0 "[    .    ]" 
       191 . 2 12 DT C5' 2 12 DT C4' 2 12 DT C3' 2 12 DT O3'   95.00  175.00  144.39  142.65  145.76    . . 0 "[    .    ]" 
       192 . 2 13 DT C5' 2 13 DT C4' 2 13 DT C3' 2 13 DT O3'   95.00  175.00  144.92  144.38  142.90    . . 0 "[    .    ]" 
       193 . 2 14 DT C5' 2 14 DT C4' 2 14 DT C3' 2 14 DT O3'   95.00  175.00  140.42  133.71  145.11    . . 0 "[    .    ]" 
       194 . 2 15 DT C5' 2 15 DT C4' 2 15 DT C3' 2 15 DT O3'   95.00  175.00  140.79  138.00  144.16    . . 0 "[    .    ]" 
       195 . 2 16 DC C5' 2 16 DC C4' 2 16 DC C3' 2 16 DC O3'   95.00  175.00  144.94  143.54  140.93    . . 0 "[    .    ]" 
       196 . 2 17 DC C5' 2 17 DC C4' 2 17 DC C3' 2 17 DC O3'   95.00  175.00   93.82   92.86   94.51 2.14 2 0 "[    .    ]" 
       197 . 1  1 DG O4' 1  1 DG C1' 1  1 DG N9  1  1 DG C4  -165.00  -55.00 -119.00 -114.86 -114.90    . . 0 "[    .    ]" 
       198 . 1  2 DG O4' 1  2 DG C1' 1  2 DG N9  1  2 DG C4  -165.00  -55.00 -113.81 -111.60 -111.69    . . 0 "[    .    ]" 
       199 . 1  3 DA O4' 1  3 DA C1' 1  3 DA N9  1  3 DA C4  -165.00  -55.00 -114.32 -128.69 -105.61    . . 0 "[    .    ]" 
       200 . 1  4 DA O4' 1  4 DA C1' 1  4 DA N9  1  4 DA C4  -165.00  -55.00 -114.23 -122.25  -98.71    . . 0 "[    .    ]" 
       201 . 1  5 DA O4' 1  5 DA C1' 1  5 DA N9  1  5 DA C4  -165.00  -55.00 -121.74 -120.26 -122.57    . . 0 "[    .    ]" 
       202 . 1  6 DA O4' 1  6 DA C1' 1  6 DA N9  1  6 DA C4  -165.00  -55.00 -129.71 -128.99 -129.63    . . 0 "[    .    ]" 
       203 . 1  7 DT O4' 1  7 DT C1' 1  7 DT N1  1  7 DT C2  -165.00  -55.00 -117.66 -117.97 -119.27    . . 0 "[    .    ]" 
       204 . 1  8 DC O4' 1  8 DC C1' 1  8 DC N1  1  8 DC C2  -165.00  -55.00 -114.45 -122.85 -110.16    . . 0 "[    .    ]" 
       205 . 1  9 DT O4' 1  9 DT C1' 1  9 DT N1  1  9 DT C2  -165.00  -55.00 -115.99 -119.32 -112.12    . . 0 "[    .    ]" 
       206 . 1 10 DC O4' 1 10 DC C1' 1 10 DC N1  1 10 DC C2  -165.00  -55.00 -106.27 -105.02 -107.41    . . 0 "[    .    ]" 
       207 . 1 11 DT O4' 1 11 DT C1' 1 11 DT N1  1 11 DT C2  -165.00  -55.00 -117.73 -123.97 -113.62    . . 0 "[    .    ]" 
       208 . 1 12 DA O4' 1 12 DA C1' 1 12 DA N9  1 12 DA C4  -165.00  -55.00 -112.71 -119.60  -98.72    . . 0 "[    .    ]" 
       209 . 1 13 DG O4' 1 13 DG C1' 1 13 DG N9  1 13 DG C4  -165.00  -55.00 -110.47 -108.93 -113.50    . . 0 "[    .    ]" 
       210 . 1 14 DC O4' 1 14 DC C1' 1 14 DC N1  1 14 DC C2  -165.00  -55.00 -109.32 -110.04 -113.98    . . 0 "[    .    ]" 
       211 . 1 15 DA O4' 1 15 DA C1' 1 15 DA N9  1 15 DA C4  -165.00  -55.00 -120.85 -121.88 -120.19    . . 0 "[    .    ]" 
       212 . 1 16 DG O4' 1 16 DG C1' 1 16 DG N9  1 16 DG C4  -165.00  -55.00 -106.04 -108.12 -102.73    . . 0 "[    .    ]" 
       213 . 1 17 DT O4' 1 17 DT C1' 1 17 DT N1  1 17 DT C2  -165.00  -55.00 -111.25 -112.55 -106.81    . . 0 "[    .    ]" 
       214 . 2  1 DA O4' 2  1 DA C1' 2  1 DA N9  2  1 DA C4  -165.00  -55.00 -107.76 -109.43 -103.91    . . 0 "[    .    ]" 
       215 . 2  2 DC O4' 2  2 DC C1' 2  2 DC N1  2  2 DC C2  -165.00  -55.00 -109.19 -114.06 -106.10    . . 0 "[    .    ]" 
       216 . 2  3 DT O4' 2  3 DT C1' 2  3 DT N1  2  3 DT C2  -165.00  -55.00 -123.71 -123.54 -124.10    . . 0 "[    .    ]" 
       217 . 2  4 DG O4' 2  4 DG C1' 2  4 DG N9  2  4 DG C4  -165.00  -55.00 -106.39 -111.05 -117.78    . . 0 "[    .    ]" 
       218 . 2  5 DC O4' 2  5 DC C1' 2  5 DC N1  2  5 DC C2  -165.00  -55.00 -120.89 -122.44 -118.62    . . 0 "[    .    ]" 
       219 . 2  6 DT O4' 2  6 DT C1' 2  6 DT N1  2  6 DT C2  -165.00  -55.00 -116.42 -123.01 -109.93    . . 0 "[    .    ]" 
       220 . 2  7 DA O4' 2  7 DA C1' 2  7 DA N9  2  7 DA C4  -165.00  -55.00 -120.98 -123.71 -125.30    . . 0 "[    .    ]" 
       221 . 2  8 DG O4' 2  8 DG C1' 2  8 DG N9  2  8 DG C4  -165.00  -55.00 -119.03 -118.28 -118.61    . . 0 "[    .    ]" 
       222 . 2  9 DA O4' 2  9 DA C1' 2  9 DA N9  2  9 DA C4  -165.00  -55.00 -113.01 -119.24 -107.75    . . 0 "[    .    ]" 
       223 . 2 10 DG O4' 2 10 DG C1' 2 10 DG N9  2 10 DG C4  -165.00  -55.00 -103.21  -81.37 -105.46    . . 0 "[    .    ]" 
       224 . 2 11 DA O4' 2 11 DA C1' 2 11 DA N9  2 11 DA C4  -165.00  -55.00 -122.19 -124.29 -118.28    . . 0 "[    .    ]" 
       225 . 2 12 DT O4' 2 12 DT C1' 2 12 DT N1  2 12 DT C2  -165.00  -55.00 -112.02 -116.59 -109.05    . . 0 "[    .    ]" 
       226 . 2 13 DT O4' 2 13 DT C1' 2 13 DT N1  2 13 DT C2  -165.00  -55.00 -109.77 -111.40 -107.55    . . 0 "[    .    ]" 
       227 . 2 14 DT O4' 2 14 DT C1' 2 14 DT N1  2 14 DT C2  -165.00  -55.00 -118.83 -126.74 -108.07    . . 0 "[    .    ]" 
       228 . 2 15 DT O4' 2 15 DT C1' 2 15 DT N1  2 15 DT C2  -165.00  -55.00 -115.77 -119.28 -110.77    . . 0 "[    .    ]" 
       229 . 2 16 DC O4' 2 16 DC C1' 2 16 DC N1  2 16 DC C2  -165.00  -55.00  -97.14  -95.36  -99.32    . . 0 "[    .    ]" 
       230 . 2 17 DC O4' 2 17 DC C1' 2 17 DC N1  2 17 DC C2  -165.00  -55.00 -136.25 -146.59 -127.85    . . 0 "[    .    ]" 
    stop_

save_



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