data_2X2Q

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2X2Q       
PDBE  EBI-41998  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    2X2Q
_pdbx_vrpt_summary.PDB_deposition_date         2010-01-15
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-12-20
_pdbx_vrpt_summary.RNA_suiteness               0.00
_pdbx_vrpt_summary.report_creation_date        2023-12-12:17:22
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "LOCKED NUCLEIC ACID DERIVED FROM TRNA SER ACCEPTOR STEM MICROHELIX"  
2  polymer      "LOCKED NUCLEIC ACID DERIVED FROM TRNA SER ACCEPTOR STEM MICROHELIX"  
3  non-polymer  "COBALT HEXAMMINE(III)"  
4  non-polymer  "MAGNESIUM ION"  
5  non-polymer  "CACODYLATE ION"  
6  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  1  
D  2  
E  3  
F  4  
G  5  
H  6  
I  6  
J  6  
K  6  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.9  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore   
2  R_value_R_free        
3  RNAsuiteness_percent  
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1  55.43  141614     ?     ?  
2  2  1  51.07    6847  1.90  1.90  
3  1  2  77.02  130704     ?     ?  
4  2  2  77.24    6207  1.90  1.90  
5  1  3   4.38    3102     ?     ?  
6  2  3   6.52    1013  1.38  2.42  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
1  1  1  A  A  
2  1  2  B  B  
3  1  1  C  C  
4  1  2  D  D  
#
_pdbx_vrpt_summary_geometry.ordinal       1
_pdbx_vrpt_summary_geometry.clashscore    5.12
_pdbx_vrpt_summary_geometry.num_H_reduce  336
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 109.740
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            55.500
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         31.513
_pdbx_vrpt_summary_diffraction.I_over_sigma              6.45(1.91A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7382
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.359
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.374
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.506
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.339
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.959
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.047
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.21
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.90
_pdbx_vrpt_summary_diffraction.EDS_res_low               36.10
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[32.849,30.232,32.515,0.000,1.390,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.082
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 11.26% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         10
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         98.06
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      341
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.62
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        38.95
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A  1  LCC  A   66  .  ?        ?     1    10     ?  
  2  1  1  A  2  LCC  A   67  .  ?        2     2     6     1  
  3  1  1  A  3  TLN  A   68  .  ?        1     1     3     ?  
  4  1  1  A  4  LCC  A   69  .  ?        ?     2     5     ?  
  5  1  1  A  5  LCA  A   70  .  ?        ?     2     3     ?  
  6  1  1  A  6  LCC  A   71  .  ?        ?     2     4     ?  
  7  1  1  A  7  LCC  A   72  .  ?        ?     3     7     ?  
  8  1  2  B  1  LCG  B    1  .  ?        ?     4     4     ?  
  9  1  2  B  2  LCG  B    2  .  ?        ?     4     6     ?  
 10  1  2  B  3  TLN  B    3  .  ?        ?     4     4     ?  
 11  1  2  B  4  LCG  B    4  .  ?        ?     5     ?     ?  
 12  1  2  B  5  LCA  B    5  .  ?        ?     1     4     ?  
 13  1  2  B  6  LCG  B    6  .  ?        ?     3     5     ?  
 14  1  2  B  7  LCG  B    7  .  ?        ?     4     5     ?  
 15  1  1  C  1  LCC  C   66  .  ?        ?     1    11     ?  
 16  1  1  C  2  LCC  C   67  .  ?        ?     1     7     ?  
 17  1  1  C  3  TLN  C   68  .  ?        ?     4     3     ?  
 18  1  1  C  4  LCC  C   69  .  ?        ?     2     4     1  
 19  1  1  C  5  LCA  C   70  .  ?        ?     3     5     ?  
 20  1  1  C  6  LCC  C   71  .  ?        ?     2     8     ?  
 21  1  1  C  7  LCC  C   72  .  ?        2     2     6     ?  
 22  1  2  D  1  LCG  D    1  .  ?        1     3     4     ?  
 23  1  2  D  2  LCG  D    2  .  ?        ?     4     5     ?  
 24  1  2  D  3  TLN  D    3  .  ?        ?     4     2     ?  
 25  1  2  D  4  LCG  D    4  .  ?        ?     4     5     ?  
 26  1  2  D  5  LCA  D    5  .  ?        ?     1     3     ?  
 27  1  2  D  6  LCG  D    6  .  ?        ?     7     ?     ?  
 28  1  2  D  7  LCG  D    7  .  ?        ?     5     3     ?  
 29  1  3  E  .  NCO  B  101  .  ?        ?     ?     ?     ?  
 30  1  4  F  .  MG   C  101  .  ?        ?     ?     ?     ?  
 31  1  5  G  .  CAC  D  101  .  ?        ?     ?     ?     ?  
 32  1  6  H  .  HOH  A  101  .  ?        ?     ?     ?     ?  
 33  1  6  H  .  HOH  A  102  .  ?        ?     ?     ?     ?  
 34  1  6  H  .  HOH  A  103  .  ?        1     ?     ?     ?  
 35  1  6  H  .  HOH  A  104  .  ?        ?     ?     ?     ?  
 36  1  6  H  .  HOH  A  105  .  ?        ?     ?     ?     ?  
 37  1  6  H  .  HOH  A  106  .  ?        ?     ?     ?     ?  
 38  1  6  H  .  HOH  A  107  .  ?        ?     ?     ?     ?  
 39  1  6  H  .  HOH  A  108  .  ?        ?     ?     ?     ?  
 40  1  6  H  .  HOH  A  109  .  ?        ?     ?     ?     ?  
 41  1  6  H  .  HOH  A  110  .  ?        ?     ?     ?     ?  
 42  1  6  H  .  HOH  A  111  .  ?        ?     ?     ?     ?  
 43  1  6  H  .  HOH  A  112  .  ?        ?     ?     ?     ?  
 44  1  6  H  .  HOH  A  113  .  ?        ?     ?     ?     ?  
 45  1  6  H  .  HOH  A  114  .  ?        ?     ?     ?     ?  
 46  1  6  H  .  HOH  A  115  .  ?        ?     ?     ?     ?  
 47  1  6  H  .  HOH  A  116  .  ?        ?     ?     ?     ?  
 48  1  6  H  .  HOH  A  117  .  ?        ?     ?     ?     ?  
 49  1  6  H  .  HOH  A  118  .  ?        ?     ?     ?     ?  
 50  1  6  H  .  HOH  A  119  .  ?        ?     ?     ?     ?  
 51  1  6  H  .  HOH  A  120  .  ?        ?     ?     ?     ?  
 52  1  6  I  .  HOH  B  201  .  ?        ?     ?     ?     ?  
 53  1  6  I  .  HOH  B  202  .  ?        ?     ?     ?     ?  
 54  1  6  I  .  HOH  B  203  .  ?        ?     ?     ?     ?  
 55  1  6  I  .  HOH  B  204  .  ?        ?     ?     ?     ?  
 56  1  6  I  .  HOH  B  205  .  ?        ?     ?     ?     ?  
 57  1  6  I  .  HOH  B  206  .  ?        ?     ?     ?     ?  
 58  1  6  I  .  HOH  B  207  .  ?        ?     ?     ?     ?  
 59  1  6  I  .  HOH  B  208  .  ?        ?     ?     ?     ?  
 60  1  6  I  .  HOH  B  209  .  ?        ?     ?     ?     ?  
 61  1  6  I  .  HOH  B  210  .  ?        ?     ?     ?     ?  
 62  1  6  I  .  HOH  B  211  .  ?        ?     ?     ?     ?  
 63  1  6  I  .  HOH  B  212  .  ?        ?     ?     ?     ?  
 64  1  6  I  .  HOH  B  213  .  ?        ?     ?     ?     ?  
 65  1  6  I  .  HOH  B  214  .  ?        ?     ?     ?     ?  
 66  1  6  I  .  HOH  B  215  .  ?        ?     ?     ?     ?  
 67  1  6  I  .  HOH  B  216  .  ?        ?     ?     ?     ?  
 68  1  6  I  .  HOH  B  217  .  ?        ?     ?     ?     ?  
 69  1  6  I  .  HOH  B  218  .  ?        ?     ?     ?     ?  
 70  1  6  I  .  HOH  B  219  .  ?        ?     ?     ?     ?  
 71  1  6  I  .  HOH  B  220  .  ?        ?     ?     ?     ?  
 72  1  6  I  .  HOH  B  221  .  ?        ?     ?     ?     ?  
 73  1  6  I  .  HOH  B  222  .  ?        ?     ?     ?     ?  
 74  1  6  I  .  HOH  B  223  .  ?        ?     ?     ?     ?  
 75  1  6  I  .  HOH  B  224  .  ?        ?     ?     ?     ?  
 76  1  6  I  .  HOH  B  225  .  ?        ?     ?     ?     ?  
 77  1  6  I  .  HOH  B  226  .  ?        ?     ?     ?     ?  
 78  1  6  I  .  HOH  B  227  .  ?        ?     ?     ?     ?  
 79  1  6  I  .  HOH  B  228  .  ?        ?     ?     ?     ?  
 80  1  6  I  .  HOH  B  229  .  ?        ?     ?     ?     ?  
 81  1  6  I  .  HOH  B  230  .  ?        ?     ?     ?     ?  
 82  1  6  J  .  HOH  C  201  .  ?        ?     ?     ?     ?  
 83  1  6  J  .  HOH  C  202  .  ?        ?     ?     ?     ?  
 84  1  6  J  .  HOH  C  203  .  ?        ?     ?     ?     ?  
 85  1  6  J  .  HOH  C  204  .  ?        ?     ?     ?     ?  
 86  1  6  J  .  HOH  C  205  .  ?        ?     ?     ?     ?  
 87  1  6  J  .  HOH  C  206  .  ?        ?     ?     ?     ?  
 88  1  6  J  .  HOH  C  207  .  ?        ?     ?     ?     ?  
 89  1  6  J  .  HOH  C  208  .  ?        ?     ?     ?     ?  
 90  1  6  J  .  HOH  C  209  .  ?        ?     ?     ?     ?  
 91  1  6  J  .  HOH  C  210  .  ?        ?     ?     ?     ?  
 92  1  6  J  .  HOH  C  211  .  ?        ?     ?     ?     ?  
 93  1  6  J  .  HOH  C  212  .  ?        ?     ?     ?     ?  
 94  1  6  J  .  HOH  C  213  .  ?        ?     ?     ?     ?  
 95  1  6  J  .  HOH  C  214  .  ?        ?     ?     ?     ?  
 96  1  6  J  .  HOH  C  215  .  ?        ?     ?     ?     ?  
 97  1  6  J  .  HOH  C  216  .  ?        ?     ?     ?     ?  
 98  1  6  J  .  HOH  C  217  .  ?        ?     ?     ?     ?  
 99  1  6  K  .  HOH  D  201  .  ?        3     ?     ?     ?  
100  1  6  K  .  HOH  D  202  .  ?        ?     ?     ?     ?  
101  1  6  K  .  HOH  D  203  .  ?        ?     ?     ?     ?  
102  1  6  K  .  HOH  D  204  .  ?        ?     ?     ?     ?  
103  1  6  K  .  HOH  D  205  .  ?        ?     ?     ?     ?  
104  1  6  K  .  HOH  D  206  .  ?        ?     ?     ?     ?  
105  1  6  K  .  HOH  D  207  .  ?        ?     ?     ?     ?  
106  1  6  K  .  HOH  D  208  .  ?        ?     ?     ?     ?  
107  1  6  K  .  HOH  D  209  .  ?        ?     ?     ?     ?  
108  1  6  K  .  HOH  D  210  .  ?        ?     ?     ?     ?  
109  1  6  K  .  HOH  D  211  .  ?        ?     ?     ?     ?  
110  1  6  K  .  HOH  D  212  .  ?        ?     ?     ?     ?  
111  1  6  K  .  HOH  D  213  .  ?        ?     ?     ?     ?  
112  1  6  K  .  HOH  D  214  .  ?        ?     ?     ?     ?  
113  1  6  K  .  HOH  D  215  .  ?        ?     ?     ?     ?  
114  1  6  K  .  HOH  D  216  .  ?        ?     ?     ?     ?  
115  1  6  K  .  HOH  D  217  .  ?        ?     ?     ?     ?  
116  1  6  K  .  HOH  D  218  .  ?        ?     ?     ?     ?  
117  1  6  K  .  HOH  D  219  .  ?        ?     ?     ?     ?  
118  1  6  K  .  HOH  D  220  .  ?        ?     ?     ?     ?  
119  1  6  K  .  HOH  D  221  .  ?        ?     ?     ?     ?  
120  1  6  K  .  HOH  D  222  .  ?        ?     ?     ?     ?  
121  1  6  K  .  HOH  D  223  .  ?        ?     ?     ?     ?  
122  1  6  K  .  HOH  D  224  .  ?        ?     ?     ?     ?  
123  1  6  K  .  HOH  D  225  .  ?        ?     ?     ?     ?  
124  1  6  K  .  HOH  D  226  .  ?        ?     ?     ?     ?  
125  1  6  K  .  HOH  D  227  .  ?        ?     ?     ?     ?  
126  1  6  K  .  HOH  D  228  .  ?        ?     ?     ?     ?  
127  1  6  K  .  HOH  D  229  .  ?        ?     ?     ?     ?  
128  1  6  K  .  HOH  D  230  .  ?        ?     ?     ?     ?  
129  1  6  K  .  HOH  D  231  .  ?        ?     ?     ?     ?  
130  1  6  K  .  HOH  D  232  .  ?        ?     ?     ?     ?  
131  1  6  K  .  HOH  D  233  .  ?        ?     ?     ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1    13  41.020    20  0.88    30  1.99  mogul  1.000  
  2    2    13  40.540    20  1.03    28  1.62  mogul  1.000  
  3    3    12  39.940    21  0.93    30  1.19  mogul  1.000  
  4    4    13  36.980    20  0.97    28  1.67  mogul  1.000  
  5    5    11  30.890    19  1.23    21  1.43  mogul  1.000  
  6    6    13  26.990    20  1.02    28  1.71  mogul  1.000  
  7    7    14  24.190    20  1.47    28  1.97  mogul  1.000  
  8    8    11  25.100    19  1.53    24  1.26  mogul  1.000  
  9    9    11  22.340    19  1.56    22  1.92  mogul  1.000  
 10   10    12  23.470    21  1.39    30  1.55  mogul  1.000  
 11   11    11  28.640    19  1.59    22  1.00  mogul  1.000  
 12   12    11  31.490    19  0.92    21  1.37  mogul  1.000  
 13   13    11  30.170    19  1.33    22  1.63  mogul  1.000  
 14   14    12  31.140    19  1.71    22  1.51  mogul  1.000  
 15   15    13  40.860    20  0.91    30  2.18  mogul  1.000  
 16   16    13  40.570    20  0.90    28  1.92  mogul  1.000  
 17   17    12  40.120    21  1.10    30  1.14  mogul  1.000  
 18   18    13  37.660    20  1.18    28  1.32  mogul  1.000  
 19   19    11  31.580    19  1.26    21  1.54  mogul  1.000  
 20   20    13  27.550    20  1.29    28  1.68  mogul  1.000  
 21   21    14  24.950    20  1.33    28  1.82  mogul  1.000  
 22   22    11  24.770    19  1.36    24  1.48  mogul  1.000  
 23   23    11  22.250    19  1.39    22  1.48  mogul  1.000  
 24   24    12  24.200    21  1.41    30  1.17  mogul  1.000  
 25   25    11  29.390    19  1.57    22  1.93  mogul  1.000  
 26   26    11  31.970    19  1.16    21  1.46  mogul  1.000  
 27   27    11  30.220    19  1.56    22  1.11  mogul  1.000  
 28   28    12  30.980    19  1.49    22  1.48  mogul  1.000  
 29   29     ?  28.240     6  0.70     ?     ?  mogul  1.000  
 30   30     ?  18.360     ?     ?     ?     ?  ?      0.500  
 31   31     ?  86.070     0     ?     0     ?  mogul  1.000  
 32   32     ?  32.840     ?     ?     ?     ?  ?      1.000  
 33   33     ?  22.470     ?     ?     ?     ?  ?      1.000  
 34   34     ?  40.550     ?     ?     ?     ?  ?      1.000  
 35   35     ?  25.920     ?     ?     ?     ?  ?      1.000  
 36   36     ?  41.880     ?     ?     ?     ?  ?      1.000  
 37   37     ?  20.970     ?     ?     ?     ?  ?      0.500  
 38   38     ?  38.970     ?     ?     ?     ?  ?      1.000  
 39   39     ?  43.670     ?     ?     ?     ?  ?      1.000  
 40   40     ?  46.400     ?     ?     ?     ?  ?      1.000  
 41   41     ?  41.950     ?     ?     ?     ?  ?      1.000  
 42   42     ?  36.610     ?     ?     ?     ?  ?      1.000  
 43   43     ?  42.590     ?     ?     ?     ?  ?      1.000  
 44   44     ?  30.110     ?     ?     ?     ?  ?      1.000  
 45   45     ?  40.020     ?     ?     ?     ?  ?      1.000  
 46   46     ?  44.940     ?     ?     ?     ?  ?      1.000  
 47   47     ?  47.340     ?     ?     ?     ?  ?      1.000  
 48   48     ?  39.100     ?     ?     ?     ?  ?      1.000  
 49   49     ?  19.790     ?     ?     ?     ?  ?      1.000  
 50   50     ?  45.850     ?     ?     ?     ?  ?      1.000  
 51   51     ?  56.730     ?     ?     ?     ?  ?      1.000  
 52   52     ?  38.940     ?     ?     ?     ?  ?      1.000  
 53   53     ?  38.670     ?     ?     ?     ?  ?      1.000  
 54   54     ?  35.640     ?     ?     ?     ?  ?      1.000  
 55   55     ?  37.910     ?     ?     ?     ?  ?      1.000  
 56   56     ?  40.510     ?     ?     ?     ?  ?      1.000  
 57   57     ?  24.610     ?     ?     ?     ?  ?      1.000  
 58   58     ?  24.110     ?     ?     ?     ?  ?      1.000  
 59   59     ?  44.470     ?     ?     ?     ?  ?      1.000  
 60   60     ?  32.840     ?     ?     ?     ?  ?      1.000  
 61   61     ?  29.640     ?     ?     ?     ?  ?      1.000  
 62   62     ?  24.940     ?     ?     ?     ?  ?      1.000  
 63   63     ?  47.830     ?     ?     ?     ?  ?      1.000  
 64   64     ?  37.500     ?     ?     ?     ?  ?      1.000  
 65   65     ?  37.850     ?     ?     ?     ?  ?      1.000  
 66   66     ?  32.350     ?     ?     ?     ?  ?      1.000  
 67   67     ?  32.140     ?     ?     ?     ?  ?      1.000  
 68   68     ?  42.800     ?     ?     ?     ?  ?      1.000  
 69   69     ?  18.920     ?     ?     ?     ?  ?      1.000  
 70   70     ?  54.940     ?     ?     ?     ?  ?      1.000  
 71   71     ?  28.910     ?     ?     ?     ?  ?      1.000  
 72   72     ?  25.460     ?     ?     ?     ?  ?      1.000  
 73   73     ?  33.860     ?     ?     ?     ?  ?      1.000  
 74   74     ?  48.910     ?     ?     ?     ?  ?      1.000  
 75   75     ?  50.770     ?     ?     ?     ?  ?      1.000  
 76   76     ?  40.740     ?     ?     ?     ?  ?      1.000  
 77   77     ?  38.300     ?     ?     ?     ?  ?      1.000  
 78   78     ?  35.870     ?     ?     ?     ?  ?      1.000  
 79   79     ?  30.890     ?     ?     ?     ?  ?      0.500  
 80   80     ?  43.210     ?     ?     ?     ?  ?      1.000  
 81   81     ?  45.980     ?     ?     ?     ?  ?      1.000  
 82   82     ?  25.660     ?     ?     ?     ?  ?      1.000  
 83   83     ?  38.000     ?     ?     ?     ?  ?      1.000  
 84   84     ?  31.830     ?     ?     ?     ?  ?      1.000  
 85   85     ?  42.510     ?     ?     ?     ?  ?      1.000  
 86   86     ?  34.210     ?     ?     ?     ?  ?      1.000  
 87   87     ?  41.460     ?     ?     ?     ?  ?      1.000  
 88   88     ?  26.850     ?     ?     ?     ?  ?      1.000  
 89   89     ?  32.350     ?     ?     ?     ?  ?      1.000  
 90   90     ?  37.100     ?     ?     ?     ?  ?      1.000  
 91   91     ?  38.640     ?     ?     ?     ?  ?      1.000  
 92   92     ?  44.100     ?     ?     ?     ?  ?      1.000  
 93   93     ?  40.740     ?     ?     ?     ?  ?      1.000  
 94   94     ?  35.910     ?     ?     ?     ?  ?      1.000  
 95   95     ?  44.130     ?     ?     ?     ?  ?      1.000  
 96   96     ?  19.270     ?     ?     ?     ?  ?      1.000  
 97   97     ?  41.780     ?     ?     ?     ?  ?      1.000  
 98   98     ?  51.400     ?     ?     ?     ?  ?      1.000  
 99   99     ?  56.850     ?     ?     ?     ?  ?      1.000  
100  100     ?  39.310     ?     ?     ?     ?  ?      1.000  
101  101     ?  44.340     ?     ?     ?     ?  ?      1.000  
102  102     ?  42.760     ?     ?     ?     ?  ?      1.000  
103  103     ?  43.370     ?     ?     ?     ?  ?      1.000  
104  104     ?  39.600     ?     ?     ?     ?  ?      1.000  
105  105     ?  31.140     ?     ?     ?     ?  ?      1.000  
106  106     ?  33.100     ?     ?     ?     ?  ?      1.000  
107  107     ?  57.270     ?     ?     ?     ?  ?      1.000  
108  108     ?  51.850     ?     ?     ?     ?  ?      1.000  
109  109     ?  49.810     ?     ?     ?     ?  ?      1.000  
110  110     ?  29.020     ?     ?     ?     ?  ?      1.000  
111  111     ?  28.830     ?     ?     ?     ?  ?      1.000  
112  112     ?  50.910     ?     ?     ?     ?  ?      1.000  
113  113     ?  42.460     ?     ?     ?     ?  ?      1.000  
114  114     ?  27.100     ?     ?     ?     ?  ?      1.000  
115  115     ?  32.260     ?     ?     ?     ?  ?      1.000  
116  116     ?  21.070     ?     ?     ?     ?  ?      1.000  
117  117     ?  48.160     ?     ?     ?     ?  ?      1.000  
118  118     ?  51.780     ?     ?     ?     ?  ?      1.000  
119  119     ?  37.280     ?     ?     ?     ?  ?      1.000  
120  120     ?  29.780     ?     ?     ?     ?  ?      1.000  
121  121     ?  30.890     ?     ?     ?     ?  ?      1.000  
122  122     ?  38.210     ?     ?     ?     ?  ?      1.000  
123  123     ?  45.150     ?     ?     ?     ?  ?      1.000  
124  124     ?  45.650     ?     ?     ?     ?  ?      1.000  
125  125     ?  39.220     ?     ?     ?     ?  ?      1.000  
126  126     ?  47.910     ?     ?     ?     ?  ?      1.000  
127  127     ?  33.470     ?     ?     ?     ?  ?      1.000  
128  128     ?  32.410     ?     ?     ?     ?  ?      1.000  
129  129     ?  49.260     ?     ?     ?     ?  ?      1.000  
130  130     ?  47.380     ?     ?     ?     ?  ?      1.000  
131  131     ?  37.160     ?     ?     ?     ?  ?      0.500  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   2  H5M1    1  0.52  2.09  
 2   2  "H2'1"  2  0.43  2.01  
 3   3  "H5'"   2  0.43  2.01  
 4  21  O2      3  0.81  1.98  
 5  21  C2      4  0.46  2.58  
 6  22  N2      5  1.09  1.86  
 7  34  O       1  0.52  2.09  
 8  99  O       5  1.09  1.86  
 9  99  O       3  0.81  1.98  
10  99  O       4  0.46  2.58  
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
 1   1  "O2'"  "C6'"  1.47  1.43   628  0.02   2.23  0.00  
 2   2  "O5'"  "C5'"  1.39  1.44    26  0.02  -2.04  0.02  
 3   2  "O2'"  "C6'"  1.47  1.43   628  0.02   2.07  0.00  
 4   3  "O5'"  "C5'"  1.39  1.44    26  0.02  -2.12  0.01  
 5   4  "O5'"  "C5'"  1.39  1.44    26  0.02  -2.33  0.01  
 6   4  "O2'"  "C6'"  1.48  1.43   628  0.02   2.54  0.00  
 7   5  "C4'"  "C3'"  1.51  1.53    46  0.01  -2.37  0.00  
 8   5  "O2'"  "C6'"  1.50  1.43   628  0.02   3.37  0.00  
 9   6  "O2'"  "C2'"  1.48  1.43   476  0.02   2.04  0.00  
10   6  "O2'"  "C6'"  1.48  1.43   628  0.02   2.43  0.00  
11   7  "C5'"  "C4'"  1.56  1.51    71  0.02   3.06  0.00  
12   7  "O3'"  "C3'"  1.47  1.42  2896  0.02   2.12  0.00  
13   7  "O2'"  "C6'"  1.50  1.43   628  0.02   3.72  0.00  
14   8  "O2'"  "C6'"  1.49  1.43   628  0.02   3.21  0.00  
15   8  C5     C6     1.42  1.47    49  0.02  -2.47  0.00  
16   8  C6     N1     1.42  1.37   314  0.01   3.16  0.00  
17   8  "O2'"  "C2'"  1.49  1.43   476  0.02   2.40  0.01  
18   9  C8     N7     1.31  1.35    60  0.02  -2.14  0.00  
19   9  C5     C4     1.34  1.43    44  0.03  -3.42  0.01  
20   9  C5     C6     1.42  1.47    49  0.02  -2.54  0.00  
21   9  "O2'"  "C2'"  1.48  1.43   476  0.02   2.22  0.00  
22  10  "O5'"  "C5'"  1.39  1.44    26  0.02  -2.14  0.01  
23  10  "C4'"  "C3'"  1.51  1.53    46  0.01  -2.14  0.00  
24  10  C2     N1     1.42  1.38   963  0.02   2.36  0.00  
25  10  "O2'"  "C6'"  1.49  1.43   628  0.02   3.06  0.00  
26  11  "C4'"  "C3'"  1.51  1.53    46  0.01  -2.35  0.00  
27  11  "O2'"  "C6'"  1.50  1.43   628  0.02   3.60  0.00  
28  11  C8     N7     1.30  1.35    60  0.02  -2.57  0.01  
29  11  C5     C4     1.37  1.43    44  0.03  -2.30  0.00  
30  11  C5     C6     1.41  1.47    49  0.02  -3.15  0.00  
31  12  "O2'"  "C6'"  1.47  1.43   628  0.02   2.18  0.00  
32  13  "C4'"  "C3'"  1.51  1.53    46  0.01  -2.09  0.00  
33  13  "O2'"  "C6'"  1.48  1.43   628  0.02   2.78  0.01  
34  13  C8     N7     1.30  1.35    60  0.02  -2.59  0.01  
35  14  "O2'"  "C6'"  1.49  1.43   628  0.02   3.09  0.00  
36  14  C8     N7     1.30  1.35    60  0.02  -2.92  0.02  
37  14  C5     C6     1.40  1.47    49  0.02  -3.26  0.00  
38  14  "O2'"  "C2'"  1.49  1.43   476  0.02   2.54  0.01  
39  15  "O2'"  "C6'"  1.49  1.43   628  0.02   3.03  0.00  
40  16  "O2'"  "C6'"  1.48  1.43   628  0.02   2.62  0.00  
41  17  "C4'"  "C3'"  1.50  1.53    46  0.01  -2.73  0.01  
42  17  C4     C5     1.41  1.44   632  0.02  -2.11  0.00  
43  17  "O2'"  "C2'"  1.48  1.43   476  0.02   2.10  0.00  
44  17  "O2'"  "C6'"  1.47  1.43   628  0.02   2.10  0.00  
45  18  "C4'"  "C3'"  1.51  1.53    46  0.01  -2.18  0.00  
46  18  "O2'"  "C6'"  1.48  1.43   628  0.02   2.25  0.00  
47  19  "O2'"  "C6'"  1.48  1.43   628  0.02   2.35  0.00  
48  19  C8     N7     1.30  1.34    73  0.02  -2.27  0.00  
49  19  C2     N3     1.35  1.32   173  0.02   2.35  0.00  
50  20  "C4'"  "C3'"  1.51  1.53    46  0.01  -2.24  0.00  
51  20  "O2'"  "C6'"  1.51  1.43   628  0.02   3.90  0.00  
52  21  "C5'"  "C4'"  1.56  1.51    71  0.02   2.96  0.00  
53  21  "O2'"  "C6'"  1.50  1.43   628  0.02   3.44  0.00  
54  22  "C4'"  "C3'"  1.51  1.53    46  0.01  -2.29  0.00  
55  22  C5     C6     1.41  1.47    49  0.02  -3.03  0.00  
56  22  "O2'"  "C2'"  1.50  1.43   476  0.02   2.85  0.00  
57  23  "C4'"  "C3'"  1.50  1.53    46  0.01  -2.41  0.01  
58  23  "O2'"  "C6'"  1.47  1.43   628  0.02   2.09  0.00  
59  23  C5     C4     1.37  1.43    44  0.03  -2.26  0.00  
60  23  C5     C6     1.42  1.47    49  0.02  -2.48  0.00  
61  24  "C4'"  "C3'"  1.50  1.53    46  0.01  -2.75  0.01  
62  24  C2     N1     1.43  1.38   963  0.02   2.96  0.01  
63  24  C2     N3     1.33  1.38  2449  0.02  -2.55  0.00  
64  24  "O2'"  "C6'"  1.48  1.43   628  0.02   2.41  0.00  
65  25  "O2'"  "C6'"  1.49  1.43   628  0.02   2.80  0.01  
66  25  C5     C4     1.37  1.43    44  0.03  -2.28  0.00  
67  25  C5     C6     1.40  1.47    49  0.02  -3.21  0.00  
68  25  "O4'"  "C1'"  1.38  1.42    97  0.01  -3.05  0.00  
69  26  "O2'"  "C6'"  1.48  1.43   628  0.02   2.67  0.00  
70  27  "C4'"  "C3'"  1.50  1.53    46  0.01  -2.60  0.01  
71  27  "O2'"  "C6'"  1.49  1.43   628  0.02   2.87  0.00  
72  27  C8     N7     1.31  1.35    60  0.02  -2.22  0.00  
73  27  C5     C4     1.37  1.43    44  0.03  -2.16  0.00  
74  27  C5     C6     1.41  1.47    49  0.02  -2.82  0.01  
75  27  "O2'"  "C2'"  1.48  1.43   476  0.02   2.25  0.00  
76  27  "O4'"  "C4'"  1.42  1.45   165  0.01  -2.11  0.00  
77  28  "O2'"  "C6'"  1.48  1.43   628  0.02   2.68  0.00  
78  28  C8     N7     1.31  1.35    60  0.02  -2.26  0.00  
79  28  C5     C4     1.37  1.43    44  0.03  -2.12  0.00  
80  28  C5     C6     1.42  1.47    49  0.02  -2.54  0.00  
81  28  "O4'"  "C1'"  1.46  1.42    97  0.01   2.28  0.00  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
  1   1  "O5'"  "C5'"  "C4'"  104.18  111.71   93  2.02  -3.73  1.66  
  2   1  "O4'"  "C4'"  "C3'"   99.20  102.22   41  1.32  -2.28  0.72  
  3   1  "C4'"  "O4'"  "C1'"  103.61  107.58   44  1.75  -2.28  0.54  
  4   1  "O4'"  "C1'"  N1     111.99  108.77   74  1.29   2.50  0.29  
  5   1  C5     C4     N4     126.40  121.48   27  1.50   3.29  1.88  
  6   1  C5     C4     N3     117.35  121.67   27  1.08  -4.00  2.38  
  7   1  C4     N3     C2     127.09  120.69  122  1.35   4.73  0.47  
  8   1  N1     C2     N3     114.51  118.81  391  1.82  -2.36  0.16  
  9   1  O2     C2     N1     124.73  118.89  396  2.06   2.83  0.24  
 10   1  "C6'"  "O2'"  "C2'"  103.00  107.65   89  1.83  -2.54  1.11  
 11   2  "O4'"  "C4'"  "C3'"   97.15  102.22   41  1.32  -3.83  2.77  
 12   2  "C2'"  "C1'"  N1     118.12  114.22  296  1.94   2.01  0.00  
 13   2  C5     C4     N3     118.47  121.67   27  1.08  -2.97  1.27  
 14   2  C4     N3     C2     125.54  120.69  122  1.35   3.59  1.07  
 15   2  N1     C2     N3     114.42  118.81  391  1.82  -2.41  0.25  
 16   2  "C3'"  "C2'"  "C1'"   92.75  100.22   30  2.25  -3.32  3.65  
 17   3  C6     N1     C2     118.93  121.30  636  1.01  -2.34  0.05  
 18   3  C5     C6     N1     126.79  123.34  431  1.03   3.35  0.59  
 19   3  "C6'"  "O2'"  "C2'"  103.73  107.65   89  1.83  -2.14  0.38  
 20   4  "C4'"  "O4'"  "C1'"  103.77  107.58   44  1.75  -2.18  0.38  
 21   4  C5     C4     N3     118.18  121.67   27  1.08  -3.24  1.56  
 22   4  C4     N3     C2     127.54  120.69  122  1.35   5.07  0.92  
 23   4  N1     C2     N3     113.62  118.81  391  1.82  -2.85  0.05  
 24   4  O2     C2     N3     126.22  122.33  702  1.63   2.39  0.02  
 25   5  C5     C6     N6     124.81  120.35   41  1.52   2.93  0.99  
 26   5  "O2'"  "C2'"  "C1'"  112.61  105.66   26  3.05   2.28  3.17  
 27   5  "C6'"  "O2'"  "C2'"  103.15  107.65   89  1.83  -2.46  0.97  
 28   6  C5     C4     N3     117.16  121.67   27  1.08  -4.19  2.58  
 29   6  C4     N3     C2     128.06  120.69  122  1.35   5.46  1.45  
 30   6  N1     C2     N3     114.33  118.81  391  1.82  -2.46  0.19  
 31   6  "O2'"  "C6'"  "C4'"   99.52  103.78   35  1.94  -2.20  1.54  
 32   7  "O4'"  "C4'"  "C6'"  101.22  105.97   24  2.11  -2.25  3.53  
 33   7  C5     C4     N3     118.33  121.67   27  1.08  -3.10  1.40  
 34   7  C4     N3     C2     128.88  120.69  122  1.35   6.06  2.27  
 35   7  N1     C2     N3     111.50  118.81  391  1.82  -4.01  0.02  
 36   7  O2     C2     N1     123.54  118.89  396  2.06   2.25  0.02  
 37   7  "C3'"  "C2'"  "C1'"  104.75  100.22   30  2.25   2.01  2.21  
 38   7  "O2'"  "C2'"  "C3'"   98.92  103.42   22  1.97  -2.29  1.18  
 39   8  O6     C6     C5     128.29  124.37   49  1.95   2.01  1.00  
 40   8  "O4'"  "C4'"  "C6'"  100.55  105.97   24  2.11  -2.56  3.48  
 41   8  "O4'"  "C1'"  "C2'"   99.12  104.50   48  2.19  -2.46  2.87  
 42   8  "C6'"  "O2'"  "C2'"  103.40  107.65   89  1.83  -2.32  0.72  
 43   9  O6     C6     C5     128.56  124.37   49  1.95   2.14  1.27  
 44   9  O6     C6     N1     116.27  120.65  314  1.18  -3.71  0.04  
 45   9  "O2'"  "C2'"  "C3'"  108.95  103.42   22  1.97   2.81  2.23  
 46   9  "O4'"  "C4'"  "C3'"   94.66  102.22   41  1.32  -5.71  5.26  
 47   9  "O4'"  "C1'"  "C2'"   99.18  104.50   48  2.19  -2.43  2.81  
 48   9  "C6'"  "O2'"  "C2'"  103.25  107.65   89  1.83  -2.40  0.86  
 49  10  "O4'"  "C4'"  "C3'"   99.20  102.22   41  1.32  -2.28  0.72  
 50  10  C5M    C5     C6     118.18  122.85  855  1.34  -3.49  0.11  
 51  10  C5M    C5     C4     123.72  118.77  632  1.10   4.50  0.14  
 52  10  O4     C4     C5     128.58  124.90  632  1.16   3.17  0.08  
 53  12  "O2'"  "C6'"  "C4'"   98.37  103.78   35  1.94  -2.79  2.68  
 54  12  "O2'"  "C2'"  "C3'"   99.20  103.42   22  1.97  -2.15  0.90  
 55  12  "O4'"  "C4'"  "C3'"   98.86  102.22   41  1.32  -2.54  1.06  
 56  12  "C6'"  "O2'"  "C2'"  111.84  107.65   89  1.83   2.29  0.99  
 57  13  "O2'"  "C6'"  "C4'"   98.12  103.78   35  1.94  -2.92  2.93  
 58  13  O6     C6     C5     130.08  124.37   49  1.95   2.92  2.79  
 59  13  O6     C6     N1     116.63  120.65  314  1.18  -3.41  0.10  
 60  13  "O4'"  "C4'"  "C3'"   99.45  102.22   41  1.32  -2.09  0.47  
 61  13  "C4'"  "O4'"  "C1'"  111.29  107.58   44  1.75   2.12  0.17  
 62  14  O6     C6     C5     130.91  124.37   49  1.95   3.35  3.62  
 63  14  O6     C6     N1     117.35  120.65  314  1.18  -2.80  0.11  
 64  14  "C3'"  "C2'"  "C1'"   94.40  100.22   30  2.25  -2.59  4.32  
 65  14  "C5'"  "C4'"  "C3'"  123.17  114.53   20  4.17   2.07  2.10  
 66  14  "O4'"  "C4'"  "C3'"   99.54  102.22   41  1.32  -2.03  0.38  
 67  15  "O5'"  "C5'"  "C4'"  107.02  111.71   93  2.02  -2.33  0.40  
 68  15  "C6'"  "C4'"  "C5'"  123.36  116.17   25  2.76   2.61  2.21  
 69  15  "O4'"  "C4'"  "C3'"   98.51  102.22   41  1.32  -2.80  1.41  
 70  15  "C4'"  "O4'"  "C1'"  103.37  107.58   44  1.75  -2.41  0.77  
 71  15  C5     C4     N4     128.77  121.48   27  1.50   4.88  4.25  
 72  15  C5     C4     N3     116.98  121.67   27  1.08  -4.35  2.75  
 73  15  N4     C4     N3     114.23  118.48  275  1.82  -2.33  0.05  
 74  15  C4     N3     C2     128.21  120.69  122  1.35   5.56  1.59  
 75  15  N1     C2     N3     114.57  118.81  391  1.82  -2.32  0.10  
 76  15  O2     C2     N1     124.63  118.89  396  2.06   2.78  0.34  
 77  15  "C6'"  "O2'"  "C2'"  103.12  107.65   89  1.83  -2.47  1.00  
 78  16  "O4'"  "C1'"  N1     113.95  108.77   74  1.29   4.02  0.88  
 79  16  C5     C4     N4     124.52  121.48   27  1.50   2.04  0.00  
 80  16  C5     C4     N3     116.56  121.67   27  1.08  -4.74  3.17  
 81  16  C4     N3     C2     125.85  120.69  122  1.35   3.82  0.76  
 82  16  O2     C2     N1     123.40  118.89  396  2.06   2.18  0.06  
 83  16  "C3'"  "C2'"  "C1'"   94.02  100.22   30  2.25  -2.76  4.71  
 84  16  "O2'"  "C2'"  "C3'"  109.32  103.42   22  1.97   3.00  1.86  
 85  17  "O4'"  "C4'"  "C3'"   98.55  102.22   41  1.32  -2.77  1.37  
 86  17  "O4'"  "C1'"  N1     111.45  108.77   74  1.29   2.09  0.13  
 87  17  "C3'"  "C2'"  "C1'"   94.38  100.22   30  2.25  -2.60  4.35  
 88  18  C5M    C5     C6     120.02  122.85  855  1.34  -2.12  0.03  
 89  18  C5     C4     N3     118.43  121.67   27  1.08  -3.01  1.30  
 90  18  C4     N3     C2     125.29  120.69  122  1.35   3.41  1.06  
 91  18  N1     C2     N3     115.06  118.81  391  1.82  -2.05  0.03  
 92  19  "O3'"  "C3'"  "C4'"  106.52  112.52   46  2.67  -2.24  0.34  
 93  19  C4     C5     N7     111.69  109.40   21  1.04   2.20  0.31  
 94  19  C2     N1     C6     122.68  118.75  723  1.71   2.30  0.04  
 95  19  "C4'"  "O4'"  "C1'"  103.68  107.58   44  1.75  -2.23  0.46  
 96  19  "C6'"  "O2'"  "C2'"  101.41  107.65   89  1.83  -3.41  2.70  
 97  20  "C1'"  N1     C6     124.86  121.12  220  1.66   2.24  0.06  
 98  20  C5     C4     N3     117.20  121.67   27  1.08  -4.14  2.53  
 99  20  C4     N3     C2     125.79  120.69  122  1.35   3.78  0.82  
100  20  N1     C2     N3     114.26  118.81  391  1.82  -2.50  0.11  
101  20  O2     C2     N3     127.18  122.33  702  1.63   2.98  0.12  
102  20  "O2'"  "C2'"  "C1'"   98.95  105.66   26  3.05  -2.20  1.35  
103  20  "O2'"  "C2'"  "C3'"  107.43  103.42   22  1.97   2.04  3.01  
104  20  "C6'"  "O2'"  "C2'"  103.70  107.65   89  1.83  -2.16  0.42  
105  21  "O4'"  "C4'"  "C3'"   96.36  102.22   41  1.32  -4.43  3.56  
106  21  "C2'"  "C1'"  N1     108.23  114.22  296  1.94  -3.09  0.23  
107  21  C4     N3     C2     126.40  120.69  122  1.35   4.23  0.22  
108  21  N1     C2     N3     113.55  118.81  391  1.82  -2.89  0.02  
109  21  O2     C2     N1     123.62  118.89  396  2.06   2.29  0.06  
110  21  "O2'"  "C2'"  "C3'"   97.98  103.42   22  1.97  -2.77  2.12  
111  22  "O4'"  "C4'"  "C5'"  112.89  108.97   46  1.81   2.16  0.38  
112  22  "O4'"  "C4'"  "C3'"   96.00  102.22   41  1.32  -4.70  3.92  
113  22  "O4'"  "C1'"  "C2'"   99.48  104.50   48  2.19  -2.29  2.51  
114  22  "C6'"  "O2'"  "C2'"  101.58  107.65   89  1.83  -3.32  2.54  
115  23  O6     C6     C5     129.01  124.37   49  1.95   2.38  1.72  
116  23  C5     C6     N1     110.42  113.95   45  1.77  -2.00  0.31  
117  23  "O4'"  "C4'"  "C3'"   98.57  102.22   41  1.32  -2.76  1.35  
118  23  "O4'"  "C1'"  "C2'"   98.80  104.50   48  2.19  -2.60  3.19  
119  23  "C6'"  "O2'"  "C2'"  102.25  107.65   89  1.83  -2.95  1.86  
120  24  "O4'"  "C4'"  "C3'"   98.08  102.22   41  1.32  -3.13  1.84  
121  24  "O4'"  "C1'"  N1     111.43  108.77   74  1.29   2.07  0.11  
122  25  "O3'"  "C3'"  "C4'"  105.08  112.52   46  2.67  -2.78  0.72  
123  25  "O2'"  "C6'"  "C4'"   96.39  103.78   35  1.94  -3.81  4.66  
124  25  "O4'"  "C4'"  "C3'"   95.31  102.22   41  1.32  -5.22  4.61  
125  25  "C4'"  "O4'"  "C1'"  112.66  107.58   44  1.75   2.91  1.54  
126  25  "C6'"  "O2'"  "C2'"  112.68  107.65   89  1.83   2.75  1.83  
127  26  "O2'"  "C6'"  "C4'"   99.67  103.78   35  1.94  -2.12  1.39  
128  26  C5     C6     N6     126.18  120.35   41  1.52   3.83  0.37  
129  26  "O4'"  "C4'"  "C3'"   98.30  102.22   41  1.32  -2.96  1.62  
130  28  "C3'"  "C2'"  "C1'"   94.22  100.22   30  2.25  -2.67  4.50  
131  28  "O2'"  "C2'"  "C1'"   93.93  105.66   26  3.05  -3.84  0.06  
132  28  "O4'"  "C1'"  "C2'"  109.21  104.50   48  2.19   2.14  0.27  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1   2  "O4'"  "C4'"  "C5'"  "O5'"  -44.20  42.16  44  47.51  5.31  4.55  
2  18  "O4'"  "C4'"  "C5'"  "O5'"  -41.59  44.77  44  47.51  7.92  2.27  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
  1    1  19  0.933  0.099  
  2    2  22  0.927  0.115  
  3    3  22  0.939  0.111  
  4    4  22  0.944  0.125  
  5    5  23  0.957  0.115  
  6    6  22  0.969  0.110  
  7    7  22  0.970  0.107  
  8    8  21  0.949  0.094  
  9    9  24  0.978  0.099  
 10   10  22  0.979  0.113  
 11   11  24  0.978  0.108  
 12   12  23  0.966  0.104  
 13   13  24  0.959  0.098  
 14   14  24  0.960  0.103  
 15   15  19  0.942  0.107  
 16   16  22  0.932  0.104  
 17   17  22  0.926  0.121  
 18   18  22  0.948  0.113  
 19   19  23  0.936  0.118  
 20   20  22  0.949  0.092  
 21   21  22  0.977  0.101  
 22   22  21  0.955  0.103  
 23   23  24  0.978  0.095  
 24   24  22  0.969  0.095  
 25   25  24  0.958  0.108  
 26   26  23  0.961  0.099  
 27   27  24  0.960  0.099  
 28   28  24  0.964  0.084  
 29   29   7  0.990  0.154  
 30   30   1  0.988  0.133  
 31   31   5  0.913  0.140  
 32   32   1  0.909  0.109  
 33   33   1  0.961  0.233  
 34   34   1  0.841  0.186  
 35   35   1  0.935  0.133  
 36   36   1  0.913  0.139  
 37   37   1  0.957  0.219  
 38   38   1  0.891  0.158  
 39   39   1  0.762  0.170  
 40   40   1  0.760  0.191  
 41   41   1  0.749  0.209  
 42   42   1  0.928  0.134  
 43   43   1  0.957  0.386  
 44   44   1  0.875  0.143  
 45   45   1  0.785  0.287  
 46   46   1  0.926  0.115  
 47   47   1  0.581  0.252  
 48   48   1  0.802  0.189  
 49   49   1  0.988  0.168  
 50   50   1  0.707  0.253  
 51   51   1  0.516  0.230  
 52   52   1  0.756  0.443  
 53   53   1  0.876  0.203  
 54   54   1  0.864  0.478  
 55   55   1  0.908  0.121  
 56   56   1  0.892  0.185  
 57   57   1  0.962  0.217  
 58   58   1  0.976  0.117  
 59   59   1  0.545  0.377  
 60   60   1  0.869  0.132  
 61   61   1  0.937  0.208  
 62   62   1  0.965  0.111  
 63   63   1  0.732  0.179  
 64   64   1  0.683  0.202  
 65   65   1  0.780  0.190  
 66   66   1  0.949  0.186  
 67   67   1  0.914  0.385  
 68   68   1  0.824  0.229  
 69   69   1  0.981  0.143  
 70   70   1  0.843  0.217  
 71   71   1  0.986  0.208  
 72   72   1  0.972  0.116  
 73   73   1  0.916  0.300  
 74   74   1  0.845  0.195  
 75   75   1  0.854  0.206  
 76   76   1  0.881  0.169  
 77   77   1  0.847  0.158  
 78   78   1  0.926  0.117  
 79   79   1  0.929  0.544  
 80   80   1  0.867  0.216  
 81   81   1  0.777  0.160  
 82   82   1  0.966  0.111  
 83   83   1  0.843  0.239  
 84   84   1  0.938  0.105  
 85   85   1  0.899  0.097  
 86   86   1  0.924  0.139  
 87   87   1  0.848  0.189  
 88   88   1  0.942  0.154  
 89   89   1  0.697  0.212  
 90   90   1  0.907  0.221  
 91   91   1  0.881  0.374  
 92   92   1  0.929  0.124  
 93   93   1  0.859  0.160  
 94   94   1  0.921  0.126  
 95   95   1  0.888  0.187  
 96   96   1  0.968  0.130  
 97   97   1  0.940  0.461  
 98   98   1  0.640  0.187  
 99   99   1  0.981  0.379  
100  100   1  0.938  0.120  
101  101   1  0.838  0.312  
102  102   1  0.807  0.217  
103  103   1  0.547  0.190  
104  104   1  0.949  0.080  
105  105   1  0.951  0.171  
106  106   1  0.913  0.087  
107  107   1  0.405  0.415  
108  108   1  0.824  0.139  
109  109   1  0.916  0.145  
110  110   1  0.990  0.115  
111  111   1  0.877  0.441  
112  112   1  0.737  0.323  
113  113   1  0.756  0.146  
114  114   1  0.968  0.187  
115  115   1  0.889  0.146  
116  116   1  0.979  0.153  
117  117   1  0.858  0.270  
118  118   1  0.731  0.249  
119  119   1  0.927  0.198  
120  120   1  0.967  0.151  
121  121   1  0.883  0.266  
122  122   1  0.865  0.364  
123  123   1  0.824  0.164  
124  124   1  0.695  0.196  
125  125   1  0.694  0.157  
126  126   1  0.753  0.286  
127  127   1  0.838  0.153  
128  128   1  0.921  0.159  
129  129   1  0.648  0.221  
130  130   1  0.685  0.354  
131  131   1  0.976  0.655  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.4, CSD as541be (2020)"                                           Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
