data_2M2S

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2M2S   
BMRB  18931  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2M2S
_pdbx_vrpt_summary.PDB_deposition_date         2013-01-02
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-05:12:00
_pdbx_vrpt_summary.attempted_validation_steps  mogul,molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "[Aba5,7,12,14]BTD-2"
#
_pdbx_vrpt_asym.label_asym_id  A
_pdbx_vrpt_asym.entity_id      1
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb    
2  nmr  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_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   96.12  158937  ?     ?     
2  2  1   84.59   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3   90.82  154315  ?     ?     
6  2  3   97.67   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A  100.00  
 4  6  3  A   1  1  A  100.00  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A  100.00  
 8  6  3  A   2  1  A  100.00  
 9  3  2  A   3  1  A  100.00  
10  4  2  A   3  1  A  100.00  
11  5  3  A   3  1  A  100.00  
12  6  3  A   3  1  A  100.00  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A  100.00  
16  6  3  A   4  1  A  100.00  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A  100.00  
20  6  3  A   5  1  A  100.00  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A  100.00  
24  6  3  A   6  1  A  100.00  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A  100.00  
28  6  3  A   7  1  A  100.00  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A  100.00  
32  6  3  A   8  1  A  100.00  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A  100.00  
36  6  3  A   9  1  A  100.00  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A   10.89  
40  6  3  A  10  1  A   10.89  
41  3  2  A  11  1  A  100.00  
42  4  2  A  11  1  A  100.00  
43  5  3  A  11  1  A  100.00  
44  6  3  A  11  1  A  100.00  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A  100.00  
48  6  3  A  12  1  A  100.00  
49  3  2  A  13  1  A  100.00  
50  4  2  A  13  1  A  100.00  
51  5  3  A  13  1  A  100.00  
52  6  3  A  13  1  A  100.00  
53  3  2  A  14  1  A  100.00  
54  4  2  A  14  1  A  100.00  
55  5  3  A  14  1  A  100.00  
56  6  3  A  14  1  A  100.00  
57  3  2  A  15  1  A  100.00  
58  4  2  A  15  1  A  100.00  
59  5  3  A  15  1  A  100.00  
60  6  3  A  15  1  A  100.00  
61  3  2  A  16  1  A  100.00  
62  4  2  A  16  1  A  100.00  
63  5  3  A  16  1  A  100.00  
64  6  3  A  16  1  A  100.00  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A  100.00  
68  6  3  A  17  1  A  100.00  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A  100.00  
72  6  3  A  18  1  A  100.00  
73  3  2  A  19  1  A  100.00  
74  4  2  A  19  1  A  100.00  
75  5  3  A  19  1  A  100.00  
76  6  3  A  19  1  A  100.00  
77  3  2  A  20  1  A  100.00  
78  4  2  A  20  1  A  100.00  
79  5  3  A  20  1  A  100.00  
80  6  3  A  20  1  A  100.00  
#
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
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.64  0.70  109  135  
 2   2  1  A  A  0.60  0.77  109  135  
 3   3  1  A  A  0.64  0.77  109  135  
 4   4  1  A  A  0.57  0.63  109  135  
 5   5  1  A  A  0.63  0.72  109  135  
 6   6  1  A  A  0.60  0.68  109  135  
 7   7  1  A  A  0.76  0.75  109  135  
 8   8  1  A  A  0.71  0.77  109  135  
 9   9  1  A  A  0.65  0.74  109  135  
10  10  1  A  A  0.68  0.73  109  135  
11  11  1  A  A  0.63  0.83  109  135  
12  12  1  A  A  0.69  0.69  109  135  
13  13  1  A  A  0.57  0.79  109  135  
14  14  1  A  A  0.66  0.67  109  135  
15  15  1  A  A  0.65  0.67  109  135  
16  16  1  A  A  0.65  0.70  109  135  
17  17  1  A  A  0.70  0.76  109  135  
18  18  1  A  A  0.67  0.76  109  135  
19  19  1  A  A  0.72  0.76  109  135  
20  20  1  A  A  0.73  0.70  109  135  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   0.42
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       0.42
_pdbx_vrpt_summary_geometry.clashscore                                 0.83
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.69
_pdbx_vrpt_summary_geometry.num_H_reduce                               3040
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             2180
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.73
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            2700
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.66
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.nmr_models_consistency_flag              True
_pdbx_vrpt_summary_nmr.nmrclust_representative_model            10
_pdbx_vrpt_summary_nmr.medoid_model                             10
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              0
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              4
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              65.93
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  65.93
#
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_torsion_outliers
  1   1  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
  2   1  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
  3   1  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
  4   1  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
  5   1  1  A   5  ABA  A   5  .  ?        ?     ?     1  
  6   1  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
  7   1  1  A   7  ABA  A   7  .  ?        ?     ?     ?  
  8   1  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
  9   1  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
 10   1  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
 11   1  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
 12   1  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
 13   1  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
 14   1  1  A  14  ABA  A  14  .  ?        ?     ?     1  
 15   1  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
 16   1  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
 17   1  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
 18   1  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
 19   2  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
 20   2  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
 21   2  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
 22   2  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
 23   2  1  A   5  ABA  A   5  .  ?        ?     ?     1  
 24   2  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
 25   2  1  A   7  ABA  A   7  .  ?        ?     ?     ?  
 26   2  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
 27   2  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
 28   2  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
 29   2  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
 30   2  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
 31   2  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
 32   2  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
 33   2  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
 34   2  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
 35   2  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
 36   2  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
 37   3  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
 38   3  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
 39   3  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
 40   3  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
 41   3  1  A   5  ABA  A   5  .  ?        ?     ?     1  
 42   3  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
 43   3  1  A   7  ABA  A   7  .  ?        ?     1     ?  
 44   3  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
 45   3  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
 46   3  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
 47   3  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
 48   3  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
 49   3  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
 50   3  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
 51   3  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
 52   3  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
 53   3  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
 54   3  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
 55   4  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
 56   4  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
 57   4  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
 58   4  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
 59   4  1  A   5  ABA  A   5  .  ?        ?     ?     ?  
 60   4  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
 61   4  1  A   7  ABA  A   7  .  ?        ?     ?     1  
 62   4  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
 63   4  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
 64   4  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
 65   4  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
 66   4  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
 67   4  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
 68   4  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
 69   4  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
 70   4  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
 71   4  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
 72   4  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
 73   5  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
 74   5  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
 75   5  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
 76   5  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
 77   5  1  A   5  ABA  A   5  .  ?        ?     ?     ?  
 78   5  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
 79   5  1  A   7  ABA  A   7  .  ?        ?     ?     ?  
 80   5  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
 81   5  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
 82   5  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
 83   5  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
 84   5  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
 85   5  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
 86   5  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
 87   5  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
 88   5  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
 89   5  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
 90   5  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
 91   6  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
 92   6  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
 93   6  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
 94   6  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
 95   6  1  A   5  ABA  A   5  .  ?        ?     ?     1  
 96   6  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
 97   6  1  A   7  ABA  A   7  .  ?        ?     ?     ?  
 98   6  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
 99   6  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
100   6  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
101   6  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
102   6  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
103   6  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
104   6  1  A  14  ABA  A  14  .  ?        ?     ?     1  
105   6  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
106   6  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
107   6  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
108   6  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
109   7  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
110   7  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
111   7  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
112   7  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
113   7  1  A   5  ABA  A   5  .  ?        ?     ?     ?  
114   7  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
115   7  1  A   7  ABA  A   7  .  ?        ?     ?     ?  
116   7  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
117   7  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
118   7  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
119   7  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
120   7  1  A  12  ABA  A  12  .  ?        ?     ?     1  
121   7  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
122   7  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
123   7  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
124   7  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
125   7  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
126   7  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
127   8  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
128   8  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
129   8  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
130   8  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
131   8  1  A   5  ABA  A   5  .  ?        ?     ?     1  
132   8  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
133   8  1  A   7  ABA  A   7  .  ?        ?     1     1  
134   8  1  A   8  ARG  A   8  .  ?        2     ?     ?  
135   8  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
136   8  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
137   8  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
138   8  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
139   8  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
140   8  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
141   8  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
142   8  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
143   8  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
144   8  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
145   9  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
146   9  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
147   9  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
148   9  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
149   9  1  A   5  ABA  A   5  .  ?        ?     ?     1  
150   9  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
151   9  1  A   7  ABA  A   7  .  ?        ?     1     ?  
152   9  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
153   9  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
154   9  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
155   9  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
156   9  1  A  12  ABA  A  12  .  ?        ?     ?     1  
157   9  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
158   9  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
159   9  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
160   9  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
161   9  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
162   9  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
163  10  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
164  10  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
165  10  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
166  10  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
167  10  1  A   5  ABA  A   5  .  ?        ?     ?     ?  
168  10  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
169  10  1  A   7  ABA  A   7  .  ?        ?     ?     ?  
170  10  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
171  10  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
172  10  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
173  10  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
174  10  1  A  12  ABA  A  12  .  ?        ?     ?     1  
175  10  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
176  10  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
177  10  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
178  10  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
179  10  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
180  10  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
181  11  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
182  11  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
183  11  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
184  11  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
185  11  1  A   5  ABA  A   5  .  ?        ?     ?     ?  
186  11  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
187  11  1  A   7  ABA  A   7  .  ?        ?     ?     1  
188  11  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
189  11  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
190  11  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
191  11  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
192  11  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
193  11  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
194  11  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
195  11  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
196  11  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
197  11  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
198  11  1  A  18  ARG  A  18  .  ?        2     ?     ?  
199  12  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
200  12  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
201  12  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
202  12  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
203  12  1  A   5  ABA  A   5  .  ?        ?     ?     1  
204  12  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
205  12  1  A   7  ABA  A   7  .  ?        ?     ?     ?  
206  12  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
207  12  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
208  12  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
209  12  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
210  12  1  A  12  ABA  A  12  .  ?        ?     ?     1  
211  12  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
212  12  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
213  12  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
214  12  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
215  12  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
216  12  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
217  13  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
218  13  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
219  13  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
220  13  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
221  13  1  A   5  ABA  A   5  .  ?        ?     ?     1  
222  13  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
223  13  1  A   7  ABA  A   7  .  ?        ?     1     1  
224  13  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
225  13  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
226  13  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
227  13  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
228  13  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
229  13  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
230  13  1  A  14  ABA  A  14  .  ?        ?     ?     1  
231  13  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
232  13  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
233  13  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
234  13  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
235  14  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
236  14  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
237  14  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
238  14  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
239  14  1  A   5  ABA  A   5  .  ?        ?     ?     ?  
240  14  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
241  14  1  A   7  ABA  A   7  .  ?        ?     1     ?  
242  14  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
243  14  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
244  14  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
245  14  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
246  14  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
247  14  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
248  14  1  A  14  ABA  A  14  .  ?        ?     ?     1  
249  14  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
250  14  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
251  14  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
252  14  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
253  15  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
254  15  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
255  15  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
256  15  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
257  15  1  A   5  ABA  A   5  .  ?        ?     ?     ?  
258  15  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
259  15  1  A   7  ABA  A   7  .  ?        ?     ?     1  
260  15  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
261  15  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
262  15  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
263  15  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
264  15  1  A  12  ABA  A  12  .  ?        ?     ?     1  
265  15  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
266  15  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
267  15  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
268  15  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
269  15  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
270  15  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
271  16  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
272  16  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
273  16  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
274  16  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
275  16  1  A   5  ABA  A   5  .  ?        ?     ?     1  
276  16  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
277  16  1  A   7  ABA  A   7  .  ?        ?     ?     1  
278  16  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
279  16  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
280  16  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
281  16  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
282  16  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
283  16  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
284  16  1  A  14  ABA  A  14  .  ?        ?     ?     1  
285  16  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
286  16  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
287  16  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
288  16  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
289  17  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
290  17  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
291  17  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
292  17  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
293  17  1  A   5  ABA  A   5  .  ?        ?     ?     ?  
294  17  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
295  17  1  A   7  ABA  A   7  .  ?        ?     ?     1  
296  17  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
297  17  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
298  17  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
299  17  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
300  17  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
301  17  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
302  17  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
303  17  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
304  17  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
305  17  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
306  17  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
307  18  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
308  18  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
309  18  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
310  18  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
311  18  1  A   5  ABA  A   5  .  ?        ?     ?     1  
312  18  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
313  18  1  A   7  ABA  A   7  .  ?        ?     ?     ?  
314  18  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
315  18  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
316  18  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
317  18  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
318  18  1  A  12  ABA  A  12  .  ?        ?     ?     ?  
319  18  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
320  18  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
321  18  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
322  18  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
323  18  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
324  18  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
325  19  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
326  19  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
327  19  1  A   3  CYS  A   3  .  ?        ?     ?     ?  
328  19  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
329  19  1  A   5  ABA  A   5  .  ?        ?     ?     ?  
330  19  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
331  19  1  A   7  ABA  A   7  .  ?        ?     ?     ?  
332  19  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
333  19  1  A   9  ARG  A   9  .  ?        2     ?     ?  
334  19  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
335  19  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
336  19  1  A  12  ABA  A  12  .  ?        ?     ?     1  
337  19  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
338  19  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
339  19  1  A  15  VAL  A  15  .  ?        ?     ?     ?  
340  19  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
341  19  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
342  19  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
343  20  1  A   1  GLY  A   1  .  ?        ?     ?     ?  
344  20  1  A   2  VAL  A   2  .  ?        ?     ?     ?  
345  20  1  A   3  CYS  A   3  .  ?        1     ?     ?  
346  20  1  A   4  ARG  A   4  .  ?        ?     ?     ?  
347  20  1  A   5  ABA  A   5  .  ?        ?     ?     1  
348  20  1  A   6  VAL  A   6  .  ?        ?     ?     ?  
349  20  1  A   7  ABA  A   7  .  ?        ?     ?     ?  
350  20  1  A   8  ARG  A   8  .  ?        ?     ?     ?  
351  20  1  A   9  ARG  A   9  .  ?        ?     ?     ?  
352  20  1  A  10  GLY  A  10  .  ?        ?     ?     ?  
353  20  1  A  11  VAL  A  11  .  ?        ?     ?     ?  
354  20  1  A  12  ABA  A  12  .  ?        ?     ?     1  
355  20  1  A  13  ARG  A  13  .  ?        ?     ?     ?  
356  20  1  A  14  ABA  A  14  .  ?        ?     ?     ?  
357  20  1  A  15  VAL  A  15  .  ?        1     ?     ?  
358  20  1  A  16  CYS  A  16  .  ?        ?     ?     ?  
359  20  1  A  17  ARG  A  17  .  ?        ?     ?     ?  
360  20  1  A  18  ARG  A  18  .  ?        ?     ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_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.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
  1    1  ?             ?      ?  ?         3   4  0.60   5  0.17  molprobity     1  True   
  2    2  t         -98.9  113.9  Favored   9   7  0.81  10  0.47  molprobity     1  True   
  3    3  m         -98.8  107.0  Favored   4   6  1.02   8  0.51  molprobity     1  True   
  4    4  tpp180   -104.9  110.0  Favored  13  10  0.81  11  0.64  molprobity     1  True   
  5    5  ?             ?      ?  ?         6   4  0.99   1  0.11  mogul          ?  False  
  6    6  t         -93.7  142.7  Favored   9   6  0.46   7  0.94  molprobity     1  True   
  7    7  ?             ?      ?  ?         6   4  0.79   1  0.14  mogul          ?  False  
  8    8  ttm180   -113.3   74.8  Allowed  13  11  0.42  14  0.79  molprobity     1  True   
  9    9  ttp180     52.5   69.1  Allowed  13  11  0.37  14  0.88  molprobity     1  True   
 10   10  ?          98.5  -36.2  Favored   3   4  0.47   5  0.31  molprobity     1  True   
 11   11  t         -75.5   91.0  Allowed   9   6  0.39   7  0.48  molprobity     1  True   
 12   12  ?             ?      ?  ?         6   4  0.86   1  0.50  mogul          ?  False  
 13   13  tpp180   -132.8   96.1  Favored  13  10  0.65  11  0.64  molprobity     1  True   
 14   14  ?             ?      ?  ?         6   4  0.74   1  0.32  mogul          ?  False  
 15   15  m        -102.8  118.2  Favored   9   7  0.87  10  0.50  molprobity     1  True   
 16   16  m        -100.4  105.2  Favored   4   6  1.07   8  0.55  molprobity     1  True   
 17   17  ptt180   -131.3  118.8  Favored  13  11  0.90  14  0.69  molprobity     1  True   
 18   18  ttm180        ?      ?  ?        13  10  0.51  11  0.57  molprobity     1  True   
 19   19  ?             ?      ?  ?         3   4  0.69   5  0.33  molprobity     1  True   
 20   20  t         -96.5  115.8  Favored   9   7  1.16  10  0.58  molprobity     1  True   
 21   21  m        -101.6  125.5  Favored   4   6  1.13   8  0.48  molprobity     1  True   
 22   22  mmp_?    -113.5  109.4  Favored  13  10  0.99  11  0.78  molprobity     1  True   
 23   23  ?             ?      ?  ?         6   4  0.94   1  0.34  mogul          ?  False  
 24   24  t        -110.5  153.7  Favored   9   6  0.52   7  0.68  molprobity     1  True   
 25   25  ?             ?      ?  ?         6   4  0.75   1  0.35  mogul          ?  False  
 26   26  tpt180   -126.8  116.6  Favored  13  11  0.44  14  0.61  molprobity     1  True   
 27   27  tpt180     66.6   26.3  Favored  13  11  0.71  14  0.76  molprobity     1  True   
 28   28  ?          83.3    2.4  Favored   3   4  0.83   5  0.23  molprobity     1  True   
 29   29  t         -98.0  122.7  Favored   9   6  0.59   7  0.57  molprobity     1  True   
 30   30  ?             ?      ?  ?         6   4  0.86   1  0.15  mogul          ?  False  
 31   31  ttm180   -114.0  102.6  Favored  13  10  0.77  11  0.43  molprobity     1  True   
 32   32  ?             ?      ?  ?         6   4  0.85   1  0.30  mogul          ?  False  
 33   33  t         -96.8  116.1  Favored   9   7  0.65  10  0.46  molprobity     1  True   
 34   34  m        -105.7  110.5  Favored   4   6  0.72   8  0.43  molprobity     1  True   
 35   35  ttm180   -136.5  124.0  Favored  13  11  0.59  14  0.48  molprobity     1  True   
 36   36  ttp180        ?      ?  ?        13  10  0.73  11  0.85  molprobity     1  True   
 37   37  ?             ?      ?  ?         3   4  0.63   5  0.23  molprobity     1  True   
 38   38  t        -106.5  108.0  Favored   9   7  0.75  10  0.45  molprobity     1  True   
 39   39  m         -94.3  107.7  Favored   4   6  0.84   8  0.44  molprobity     1  True   
 40   40  tpm_?    -104.9  110.1  Favored  13  10  0.95  11  0.77  molprobity     1  True   
 41   41  ?             ?      ?  ?         6   4  0.88   1  0.24  mogul          ?  False  
 42   42  t         -92.9  143.4  Favored   9   6  0.68   7  0.88  molprobity     1  True   
 43   43  ?             ?      ?  ?         6   4  1.25   1  0.43  mogul          ?  False  
 44   44  tmm_?     -92.8   75.3  Favored  13  11  0.82  14  0.91  molprobity     1  True   
 45   45  ttt180     58.2   53.8  Favored  13  11  0.42  14  0.71  molprobity     1  True   
 46   46  ?          96.2  -38.0  Favored   3   4  0.51   5  0.20  molprobity     1  True   
 47   47  t         -75.4  132.8  Favored   9   6  0.40   7  0.54  molprobity     1  True   
 48   48  ?             ?      ?  ?         6   4  0.83   1  0.21  mogul          ?  False  
 49   49  tpt180   -119.2   87.5  Favored  13  10  0.78  11  0.68  molprobity     1  True   
 50   50  ?             ?      ?  ?         6   4  0.78   1  0.24  mogul          ?  False  
 51   51  m         -94.9  115.1  Favored   9   7  1.04  10  0.54  molprobity     1  True   
 52   52  m        -103.6  109.8  Favored   4   6  0.90   8  0.42  molprobity     1  True   
 53   53  ttp180   -143.3  129.6  Favored  13  11  0.90  14  0.51  molprobity     1  True   
 54   54  ttt180        ?      ?  ?        13  10  0.59  11  0.75  molprobity     1  True   
 55   55  ?             ?      ?  ?         3   4  0.59   5  0.16  molprobity     1  True   
 56   56  t         -84.9  113.8  Favored   9   7  0.61  10  0.44  molprobity     1  True   
 57   57  m        -112.7  119.9  Favored   4   6  0.54   8  0.40  molprobity     1  True   
 58   58  ttm180   -107.4  133.6  Favored  13  10  0.63  11  0.52  molprobity     1  True   
 59   59  ?             ?      ?  ?         6   4  0.87   1  0.09  mogul          ?  False  
 60   60  m        -102.0  131.7  Favored   9   6  0.72   7  0.50  molprobity     1  True   
 61   61  ?             ?      ?  ?         6   4  0.92   1  0.25  mogul          ?  False  
 62   62  mtt180    -98.2   71.7  Favored  13  11  0.58  14  0.88  molprobity     1  True   
 63   63  ttt180     53.9   66.0  Allowed  13  11  0.46  14  0.58  molprobity     1  True   
 64   64  ?          94.3  -26.2  Favored   3   4  0.74   5  0.29  molprobity     1  True   
 65   65  t         -89.3   98.5  Favored   9   6  0.46   7  0.46  molprobity     1  True   
 66   66  ?             ?      ?  ?         6   4  0.80   1  0.40  mogul          ?  False  
 67   67  tpp85    -133.4  130.5  Favored  13  10  0.66  11  0.45  molprobity     1  True   
 68   68  ?             ?      ?  ?         6   4  0.91   1  0.18  mogul          ?  False  
 69   69  m         -98.7  131.0  Favored   9   7  0.86  10  0.46  molprobity     1  True   
 70   70  m        -118.3  139.7  Favored   4   6  0.75   8  0.40  molprobity     1  True   
 71   71  ptt180   -138.9  109.6  Favored  13  11  0.61  14  0.77  molprobity     1  True   
 72   72  ttp180        ?      ?  ?        13  10  0.63  11  0.66  molprobity     1  True   
 73   73  ?             ?      ?  ?         3   4  0.56   5  0.29  molprobity     1  True   
 74   74  t        -124.9  114.6  Favored   9   7  0.60  10  0.48  molprobity     1  True   
 75   75  m         -94.2  112.8  Favored   4   6  0.72   8  0.44  molprobity     1  True   
 76   76  mtt180   -107.5  109.7  Favored  13  10  0.43  11  0.81  molprobity     1  True   
 77   77  ?             ?      ?  ?         6   4  0.81   1  0.44  mogul          ?  False  
 78   78  t        -104.9  130.0  Favored   9   6  0.66   7  1.18  molprobity     1  True   
 79   79  ?             ?      ?  ?         6   4  0.85   1  0.27  mogul          ?  False  
 80   80  mmm180   -121.2   95.0  Favored  13  11  0.73  14  0.68  molprobity     1  True   
 81   81  ttp180     59.4   66.0  Allowed  13  11  0.50  14  0.50  molprobity     1  True   
 82   82  ?          84.5  -29.1  Favored   3   4  0.54   5  0.14  molprobity     1  True   
 83   83  t         -78.5  105.4  Favored   9   6  0.38   7  0.50  molprobity     1  True   
 84   84  ?             ?      ?  ?         6   4  0.93   1  0.21  mogul          ?  False  
 85   85  ttm180   -117.5   86.6  Favored  13  10  0.83  11  0.68  molprobity     1  True   
 86   86  ?             ?      ?  ?         6   4  0.94   1  0.03  mogul          ?  False  
 87   87  t        -102.5  112.1  Favored   9   7  0.94  10  0.50  molprobity     1  True   
 88   88  m         -93.1  106.0  Favored   4   6  1.12   8  0.52  molprobity     1  True   
 89   89  tpp180   -127.7  122.0  Favored  13  11  0.93  14  0.68  molprobity     1  True   
 90   90  ttt180        ?      ?  ?        13  10  0.69  11  0.63  molprobity     1  True   
 91   91  ?             ?      ?  ?         3   4  0.75   5  0.24  molprobity     1  True   
 92   92  t         -96.3  108.4  Favored   9   7  0.91  10  0.44  molprobity     1  True   
 93   93  m         -94.4  110.4  Favored   4   6  0.98   8  0.47  molprobity     1  True   
 94   94  ttm180   -106.9  109.7  Favored  13  10  0.70  11  0.72  molprobity     1  True   
 95   95  ?             ?      ?  ?         6   4  1.06   1  0.28  mogul          ?  False  
 96   96  m         -82.8  103.5  Favored   9   6  0.84   7  0.86  molprobity     1  True   
 97   97  ?             ?      ?  ?         6   4  1.10   1  0.07  mogul          ?  False  
 98   98  mmt180   -119.6   84.0  Favored  13  11  0.70  14  0.78  molprobity     1  True   
 99   99  ttt180     44.4   75.1  Allowed  13  11  0.49  14  0.62  molprobity     1  True   
100  100  ?          94.9  -37.9  Favored   3   4  0.84   5  0.22  molprobity     1  True   
101  101  t         -83.9   99.2  Favored   9   6  0.31   7  0.48  molprobity     1  True   
102  102  ?             ?      ?  ?         6   4  0.91   1  0.36  mogul          ?  False  
103  103  ttt180   -135.5  120.7  Favored  13  10  0.43  11  0.58  molprobity     1  True   
104  104  ?             ?      ?  ?         6   4  0.83   1  0.18  mogul          ?  False  
105  105  t         -90.2  110.3  Favored   9   7  0.70  10  0.46  molprobity     1  True   
106  106  m        -105.2  106.3  Favored   4   6  0.73   8  0.35  molprobity     1  True   
107  107  mtp180   -132.2  127.4  Favored  13  11  0.67  14  0.70  molprobity     1  True   
108  108  ttt180        ?      ?  ?        13  10  0.55  11  0.67  molprobity     1  True   
109  109  ?             ?      ?  ?         3   4  0.69   5  0.17  molprobity     1  True   
110  110  t         -87.9  111.6  Favored   9   7  0.97  10  0.50  molprobity     1  True   
111  111  m         -93.9  108.1  Favored   4   6  0.98   8  0.71  molprobity     1  True   
112  112  ttm180   -106.2  124.5  Favored  13  10  0.65  11  0.43  molprobity     1  True   
113  113  ?             ?      ?  ?         6   4  0.75   1  0.34  mogul          ?  False  
114  114  p        -120.7  142.2  Favored   9   6  0.76   7  0.63  molprobity     1  True   
115  115  ?             ?      ?  ?         6   4  0.85   1  0.14  mogul          ?  False  
116  116  mtm180   -134.0  141.1  Favored  13  11  0.58  14  1.26  molprobity     1  True   
117  117  tpm_?      60.9   25.7  Favored  13  11  0.68  14  0.98  molprobity     1  True   
118  118  ?          72.5   29.9  Favored   3   4  0.73   5  0.17  molprobity     1  True   
119  119  p        -144.6  133.3  Favored   9   6  0.92   7  0.52  molprobity     1  True   
120  120  ?             ?      ?  ?         6   4  0.86   1  0.12  mogul          ?  False  
121  121  tmt_?    -113.2  131.4  Favored  13  10  0.78  11  0.95  molprobity     1  True   
122  122  ?             ?      ?  ?         6   4  0.77   1  0.34  mogul          ?  False  
123  123  t        -107.7  120.0  Favored   9   7  0.83  10  0.45  molprobity     1  True   
124  124  m         -95.2  117.7  Favored   4   6  0.94   8  0.63  molprobity     1  True   
125  125  mmm180   -115.5  108.1  Favored  13  11  0.65  14  0.81  molprobity     1  True   
126  126  ttm180        ?      ?  ?        13  10  0.54  11  0.69  molprobity     1  True   
127  127  ?             ?      ?  ?         3   4  0.77   5  0.62  molprobity     1  True   
128  128  t         -95.3  108.1  Favored   9   7  0.81  10  0.50  molprobity     1  True   
129  129  m         -91.6  112.7  Favored   4   6  0.91   8  0.34  molprobity     1  True   
130  130  ttt180   -111.0  123.2  Favored  13  10  0.79  11  0.56  molprobity     1  True   
131  131  ?             ?      ?  ?         6   4  1.02   1  0.31  mogul          ?  False  
132  132  m         -93.5  108.9  Favored   9   6  0.77   7  0.79  molprobity     1  True   
133  133  ?             ?      ?  ?         6   4  1.16   1  0.29  mogul          ?  False  
134  134  tpm_?    -122.2   68.7  Allowed  13  11  1.01  14  0.98  molprobity     1  True   
135  135  ttt180     55.9   71.6  Allowed  13  11  0.57  14  0.72  molprobity     1  True   
136  136  ?          98.8  -41.5  Favored   3   4  0.87   5  0.37  molprobity     1  True   
137  137  t         -79.4  104.3  Favored   9   6  0.40   7  0.42  molprobity     1  True   
138  138  ?             ?      ?  ?         6   4  0.82   1  0.43  mogul          ?  False  
139  139  ttt180   -105.6   96.2  Favored  13  10  0.56  11  0.74  molprobity     1  True   
140  140  ?             ?      ?  ?         6   4  0.90   1  0.19  mogul          ?  False  
141  141  p        -118.8  124.5  Favored   9   7  0.94  10  0.50  molprobity     1  True   
142  142  m        -111.4  121.4  Favored   4   6  0.79   8  0.32  molprobity     1  True   
143  143  mtt180   -138.6  133.9  Favored  13  11  0.48  14  0.93  molprobity     1  True   
144  144  tpm_?         ?      ?  ?        13  10  0.89  11  1.01  molprobity     1  True   
145  145  ?             ?      ?  ?         3   4  0.81   5  0.47  molprobity     1  True   
146  146  t        -103.5  122.2  Favored   9   7  0.83  10  0.54  molprobity     1  True   
147  147  m         -92.9  104.6  Favored   4   6  0.97   8  0.92  molprobity     1  True   
148  148  mtp180    -95.7  125.2  Favored  13  10  0.62  11  0.62  molprobity     1  True   
149  149  ?             ?      ?  ?         6   4  0.89   1  0.22  mogul          ?  False  
150  150  m         -86.9  110.7  Favored   9   6  0.73   7  0.71  molprobity     1  True   
151  151  ?             ?      ?  ?         6   4  1.18   1  0.80  mogul          ?  False  
152  152  mmm180   -117.2   89.8  Favored  13  11  0.65  14  0.53  molprobity     1  True   
153  153  tpp180     57.3   57.1  Favored  13  11  0.57  14  0.65  molprobity     1  True   
154  154  ?          92.4  -33.8  Favored   3   4  0.56   5  0.27  molprobity     1  True   
155  155  t         -75.7  107.2  Favored   9   6  0.36   7  0.50  molprobity     1  True   
156  156  ?             ?      ?  ?         6   4  0.75   1  0.03  mogul          ?  False  
157  157  ttm180    -92.5  116.4  Favored  13  10  0.63  11  0.45  molprobity     1  True   
158  158  ?             ?      ?  ?         6   4  0.85   1  0.31  mogul          ?  False  
159  159  p        -136.3  132.7  Favored   9   7  0.85  10  0.29  molprobity     1  True   
160  160  m        -104.2  110.3  Favored   4   6  1.00   8  0.36  molprobity     1  True   
161  161  tpt180   -129.4  134.5  Favored  13  11  0.61  14  0.69  molprobity     1  True   
162  162  tpp180        ?      ?  ?        13  10  1.02  11  1.22  molprobity     1  True   
163  163  ?             ?      ?  ?         3   4  0.78   5  0.43  molprobity     1  True   
164  164  p        -107.1  128.3  Favored   9   7  0.87  10  0.64  molprobity     1  True   
165  165  m        -110.1  115.2  Favored   4   6  0.93   8  0.35  molprobity     1  True   
166  166  mtp180   -118.0  110.2  Favored  13  10  0.64  11  0.52  molprobity     1  True   
167  167  ?             ?      ?  ?         6   4  1.00   1  0.28  mogul          ?  False  
168  168  p        -121.1  136.5  Favored   9   6  0.71   7  0.56  molprobity     1  True   
169  169  ?             ?      ?  ?         6   4  0.96   1  0.42  mogul          ?  False  
170  170  mtp180   -117.4  111.9  Favored  13  11  0.64  14  0.54  molprobity     1  True   
171  171  tpp180     62.1   34.9  Favored  13  11  0.64  14  0.82  molprobity     1  True   
172  172  ?          88.0  -14.7  Favored   3   4  0.75   5  0.24  molprobity     1  True   
173  173  t         -86.3   98.1  Favored   9   6  0.60   7  0.43  molprobity     1  True   
174  174  ?             ?      ?  ?         6   4  1.03   1  0.67  mogul          ?  False  
175  175  OUTLIER   -92.7  122.3  Favored  13  10  0.80  11  1.10  molprobity     1  True   
176  176  ?             ?      ?  ?         6   4  0.76   1  0.26  mogul          ?  False  
177  177  t         -94.6  110.0  Favored   9   7  0.67  10  0.43  molprobity     1  True   
178  178  m        -112.3  106.9  Favored   4   6  0.86   8  0.42  molprobity     1  True   
179  179  ptt85    -145.0  139.1  Favored  13  11  0.69  14  0.73  molprobity     1  True   
180  180  tpt180        ?      ?  ?        13  10  0.76  11  1.05  molprobity     1  True   
181  181  ?             ?      ?  ?         3   4  0.92   5  0.54  molprobity     1  True   
182  182  p        -101.2  132.0  Favored   9   7  0.89  10  0.59  molprobity     1  True   
183  183  m        -110.5  139.5  Favored   4   6  0.88   8  0.38  molprobity     1  True   
184  184  ttt180   -134.3  120.2  Favored  13  10  0.60  11  0.46  molprobity     1  True   
185  185  ?             ?      ?  ?         6   4  0.83   1  0.20  mogul          ?  False  
186  186  m        -102.4  154.2  Favored   9   6  0.53   7  0.47  molprobity     1  True   
187  187  ?             ?      ?  ?         6   4  0.93   1  0.11  mogul          ?  False  
188  188  mtp180    -96.2   92.9  Favored  13  11  0.72  14  0.50  molprobity     1  True   
189  189  ttp180     57.6   54.3  Favored  13  11  0.87  14  0.64  molprobity     1  True   
190  190  ?          91.8  -24.0  Favored   3   4  0.58   5  0.13  molprobity     1  True   
191  191  t         -80.0  103.3  Favored   9   6  0.35   7  0.37  molprobity     1  True   
192  192  ?             ?      ?  ?         6   4  0.72   1  0.21  mogul          ?  False  
193  193  ttp180   -116.9  109.9  Favored  13  10  0.67  11  0.41  molprobity     1  True   
194  194  ?             ?      ?  ?         6   4  0.83   1  0.26  mogul          ?  False  
195  195  m        -102.1  118.0  Favored   9   7  1.10  10  0.47  molprobity     1  True   
196  196  m        -109.8  115.4  Favored   4   6  1.08   8  0.51  molprobity     1  True   
197  197  ttp180   -132.6  121.2  Favored  13  11  0.82  14  0.90  molprobity     1  True   
198  198  tpm_?         ?      ?  ?        13  10  1.15  11  1.21  molprobity     1  True   
199  199  ?             ?      ?  ?         3   4  0.83   5  0.25  molprobity     1  True   
200  200  p        -138.7  135.5  Favored   9   7  0.83  10  0.42  molprobity     1  True   
201  201  m         -91.7  105.3  Favored   4   6  0.93   8  0.72  molprobity     1  True   
202  202  mmm180    -95.1  114.4  Favored  13  10  0.66  11  0.70  molprobity     1  True   
203  203  ?             ?      ?  ?         6   4  0.88   1  0.23  mogul          ?  False  
204  204  t         -94.5  136.1  Favored   9   6  0.57   7  1.00  molprobity     1  True   
205  205  ?             ?      ?  ?         6   4  0.91   1  0.08  mogul          ?  False  
206  206  mmm180    -99.1   83.0  Favored  13  11  0.77  14  0.81  molprobity     1  True   
207  207  tpt180     56.6   59.2  Favored  13  11  0.67  14  0.48  molprobity     1  True   
208  208  ?          99.1  -34.6  Favored   3   4  0.66   5  0.34  molprobity     1  True   
209  209  t         -73.3   98.6  Allowed   9   6  0.29   7  0.49  molprobity     1  True   
210  210  ?             ?      ?  ?         6   4  0.83   1  0.20  mogul          ?  False  
211  211  tpp180    -94.6  100.4  Favored  13  10  0.76  11  0.64  molprobity     1  True   
212  212  ?             ?      ?  ?         6   4  0.86   1  0.31  mogul          ?  False  
213  213  t        -110.7  133.9  Favored   9   7  0.70  10  0.51  molprobity     1  True   
214  214  m         -98.1  104.4  Favored   4   6  0.68   8  0.47  molprobity     1  True   
215  215  mmm180   -133.2  139.4  Favored  13  11  0.61  14  0.82  molprobity     1  True   
216  216  ttm180        ?      ?  ?        13  10  0.60  11  1.06  molprobity     1  True   
217  217  ?             ?      ?  ?         3   4  0.85   5  0.34  molprobity     1  True   
218  218  m        -116.3  145.5  Favored   9   7  0.70  10  0.48  molprobity     1  True   
219  219  m        -104.8  132.4  Favored   4   6  0.85   8  0.37  molprobity     1  True   
220  220  mmm180   -128.2  123.9  Favored  13  10  0.59  11  0.64  molprobity     1  True   
221  221  ?             ?      ?  ?         6   4  0.71   1  0.34  mogul          ?  False  
222  222  m         -96.1  133.4  Favored   9   6  0.77   7  0.49  molprobity     1  True   
223  223  ?             ?      ?  ?         6   4  1.26   1  0.20  mogul          ?  False  
224  224  ttm180   -114.1  117.6  Favored  13  11  0.82  14  0.58  molprobity     1  True   
225  225  tpt180     62.4   30.8  Favored  13  11  0.78  14  0.69  molprobity     1  True   
226  226  ?          91.9   -4.3  Favored   3   4  0.63   5  0.28  molprobity     1  True   
227  227  p        -117.3  126.9  Favored   9   6  0.81   7  0.66  molprobity     1  True   
228  228  ?             ?      ?  ?         6   4  1.01   1  0.88  mogul          ?  False  
229  229  tpt180   -125.2  126.5  Favored  13  10  0.74  11  0.64  molprobity     1  True   
230  230  ?             ?      ?  ?         6   4  0.88   1  0.01  mogul          ?  False  
231  231  m         -91.1  126.6  Favored   9   7  1.18  10  0.47  molprobity     1  True   
232  232  m        -106.7  117.5  Favored   4   6  1.05   8  0.47  molprobity     1  True   
233  233  ptp180   -151.0  143.8  Favored  13  11  0.72  14  0.65  molprobity     1  True   
234  234  ttm180        ?      ?  ?        13  10  0.56  11  0.61  molprobity     1  True   
235  235  ?             ?      ?  ?         3   4  0.61   5  0.41  molprobity     1  True   
236  236  t        -101.9  111.6  Favored   9   7  0.89  10  0.54  molprobity     1  True   
237  237  m        -101.8  131.0  Favored   4   6  0.80   8  0.38  molprobity     1  True   
238  238  mtt180   -128.6  115.0  Favored  13  10  0.62  11  0.50  molprobity     1  True   
239  239  ?             ?      ?  ?         6   4  0.75   1  0.32  mogul          ?  False  
240  240  m        -130.5  144.7  Favored   9   6  0.56   7  0.50  molprobity     1  True   
241  241  ?             ?      ?  ?         6   4  1.12   1  0.92  mogul          ?  False  
242  242  tpt180   -141.7  127.6  Favored  13  11  0.74  14  0.85  molprobity     1  True   
243  243  ttm180     66.0   27.5  Favored  13  11  0.49  14  1.00  molprobity     1  True   
244  244  ?          87.2   -4.0  Favored   3   4  0.87   5  0.34  molprobity     1  True   
245  245  m        -113.0  136.9  Favored   9   6  0.66   7  0.57  molprobity     1  True   
246  246  ?             ?      ?  ?         6   4  0.83   1  0.17  mogul          ?  False  
247  247  tpt180   -101.2  113.8  Favored  13  10  0.74  11  0.74  molprobity     1  True   
248  248  ?             ?      ?  ?         6   4  0.86   1  0.35  mogul          ?  False  
249  249  t         -91.4  112.3  Favored   9   7  0.57  10  0.45  molprobity     1  True   
250  250  m        -110.8  118.7  Favored   4   6  0.71   8  0.32  molprobity     1  True   
251  251  ptp180   -147.4  134.3  Favored  13  11  0.57  14  0.82  molprobity     1  True   
252  252  tpt180        ?      ?  ?        13  10  0.66  11  0.67  molprobity     1  True   
253  253  ?             ?      ?  ?         3   4  0.69   5  0.36  molprobity     1  True   
254  254  t         -95.4  123.6  Favored   9   7  0.81  10  0.45  molprobity     1  True   
255  255  m        -113.9  124.0  Favored   4   6  0.83   8  0.26  molprobity     1  True   
256  256  mtt180   -122.8  123.6  Favored  13  10  0.52  11  0.70  molprobity     1  True   
257  257  ?             ?      ?  ?         6   4  0.95   1  0.34  mogul          ?  False  
258  258  m        -103.8  114.0  Favored   9   6  0.93   7  0.70  molprobity     1  True   
259  259  ?             ?      ?  ?         6   4  0.98   1  0.15  mogul          ?  False  
260  260  ptm180   -108.6   89.2  Favored  13  11  0.80  14  1.03  molprobity     1  True   
261  261  tpp180     59.0   65.3  Allowed  13  11  0.59  14  0.66  molprobity     1  True   
262  262  ?          87.2  -28.4  Favored   3   4  0.69   5  0.08  molprobity     1  True   
263  263  t         -84.0  104.8  Favored   9   6  0.44   7  0.37  molprobity     1  True   
264  264  ?             ?      ?  ?         6   4  0.75   1  0.63  mogul          ?  False  
265  265  tpp180   -107.6  110.5  Favored  13  10  0.52  11  0.52  molprobity     1  True   
266  266  ?             ?      ?  ?         6   4  0.76   1  0.15  mogul          ?  False  
267  267  m        -101.0  146.4  Favored   9   7  0.78  10  0.37  molprobity     1  True   
268  268  m        -133.7  134.0  Favored   4   6  0.61   8  0.50  molprobity     1  True   
269  269  ptt180   -159.9  137.7  Favored  13  11  0.48  14  0.79  molprobity     1  True   
270  270  tpp180        ?      ?  ?        13  10  0.72  11  0.83  molprobity     1  True   
271  271  ?             ?      ?  ?         3   4  0.75   5  0.28  molprobity     1  True   
272  272  p        -116.3  140.8  Favored   9   7  0.86  10  0.57  molprobity     1  True   
273  273  m        -105.7  132.9  Favored   4   6  0.88   8  0.37  molprobity     1  True   
274  274  mmt180   -116.3  116.5  Favored  13  10  0.71  11  1.08  molprobity     1  True   
275  275  ?             ?      ?  ?         6   4  1.09   1  0.30  mogul          ?  False  
276  276  p         -78.7  128.6  Favored   9   6  1.00   7  0.76  molprobity     1  True   
277  277  ?             ?      ?  ?         6   4  1.03   1  0.25  mogul          ?  False  
278  278  mtp180    -90.0   68.2  Favored  13  11  0.62  14  0.68  molprobity     1  True   
279  279  ttp180     54.0   71.8  Allowed  13  11  0.64  14  0.69  molprobity     1  True   
280  280  ?          95.5  -36.9  Favored   3   4  0.58   5  0.13  molprobity     1  True   
281  281  t         -81.2   98.1  Favored   9   6  0.38   7  0.43  molprobity     1  True   
282  282  ?             ?      ?  ?         6   4  0.71   1  0.26  mogul          ?  False  
283  283  ttt180   -140.6  124.1  Favored  13  10  0.51  11  0.59  molprobity     1  True   
284  284  ?             ?      ?  ?         6   4  0.76   1  0.35  mogul          ?  False  
285  285  p        -102.2  124.3  Favored   9   7  0.84  10  0.42  molprobity     1  True   
286  286  m        -105.5  120.5  Favored   4   6  0.95   8  0.40  molprobity     1  True   
287  287  ttt180   -142.3  136.8  Favored  13  11  0.54  14  0.70  molprobity     1  True   
288  288  ttm180        ?      ?  ?        13  10  0.62  11  0.77  molprobity     1  True   
289  289  ?             ?      ?  ?         3   4  1.04   5  0.41  molprobity     1  True   
290  290  p         -98.7  124.6  Favored   9   7  0.86  10  0.61  molprobity     1  True   
291  291  m         -98.3  122.8  Favored   4   6  0.94   8  0.45  molprobity     1  True   
292  292  tpm_?    -127.4  112.0  Favored  13  10  0.75  11  0.91  molprobity     1  True   
293  293  ?             ?      ?  ?         6   4  0.87   1  0.33  mogul          ?  False  
294  294  t         -97.5  143.4  Favored   9   6  0.51   7  0.93  molprobity     1  True   
295  295  ?             ?      ?  ?         6   4  0.80   1  0.27  mogul          ?  False  
296  296  ttm180   -115.7  124.4  Favored  13  11  0.65  14  0.80  molprobity     1  True   
297  297  ttp180     61.9   30.3  Favored  13  11  0.54  14  0.70  molprobity     1  True   
298  298  ?          72.1   22.2  Favored   3   4  0.70   5  0.09  molprobity     1  True   
299  299  p        -136.7  143.2  Favored   9   6  0.89   7  0.75  molprobity     1  True   
300  300  ?             ?      ?  ?         6   4  0.77   1  0.23  mogul          ?  False  
301  301  tpp180   -117.7   89.7  Favored  13  10  0.62  11  0.92  molprobity     1  True   
302  302  ?             ?      ?  ?         6   4  0.79   1  0.22  mogul          ?  False  
303  303  m        -108.8  138.8  Favored   9   7  0.96  10  0.44  molprobity     1  True   
304  304  m        -115.1  113.0  Favored   4   6  0.97   8  0.51  molprobity     1  True   
305  305  ttt180   -146.1  136.1  Favored  13  11  0.66  14  0.64  molprobity     1  True   
306  306  tpm_?         ?      ?  ?        13  10  0.74  11  0.73  molprobity     1  True   
307  307  ?             ?      ?  ?         3   4  0.56   5  0.28  molprobity     1  True   
308  308  p        -106.2  141.5  Favored   9   7  0.82  10  0.53  molprobity     1  True   
309  309  m        -119.4  119.0  Favored   4   6  0.89   8  0.33  molprobity     1  True   
310  310  ttt180   -120.2  120.0  Favored  13  10  0.66  11  0.57  molprobity     1  True   
311  311  ?             ?      ?  ?         6   4  0.93   1  0.31  mogul          ?  False  
312  312  m         -96.2  141.5  Favored   9   6  0.58   7  0.49  molprobity     1  True   
313  313  ?             ?      ?  ?         6   4  1.00   1  0.22  mogul          ?  False  
314  314  ttp180   -139.7  135.8  Favored  13  11  0.65  14  0.69  molprobity     1  True   
315  315  ttt180     71.7   26.3  Favored  13  11  0.52  14  1.16  molprobity     1  True   
316  316  ?          64.6   37.0  Favored   3   4  0.86   5  0.23  molprobity     1  True   
317  317  p        -152.4  145.8  Favored   9   6  0.78   7  0.56  molprobity     1  True   
318  318  ?             ?      ?  ?         6   4  0.73   1  0.26  mogul          ?  False  
319  319  tpp180   -107.3  103.1  Favored  13  10  0.75  11  0.63  molprobity     1  True   
320  320  ?             ?      ?  ?         6   4  0.85   1  0.22  mogul          ?  False  
321  321  t         -92.6  110.5  Favored   9   7  1.01  10  0.49  molprobity     1  True   
322  322  m        -105.0  117.5  Favored   4   6  0.95   8  0.54  molprobity     1  True   
323  323  tpp180   -147.3  134.7  Favored  13  11  0.74  14  0.75  molprobity     1  True   
324  324  tpp180        ?      ?  ?        13  10  0.81  11  0.77  molprobity     1  True   
325  325  ?             ?      ?  ?         3   4  0.58   5  0.49  molprobity     1  True   
326  326  m        -101.6  132.2  Favored   9   7  1.02  10  0.77  molprobity     1  True   
327  327  m        -117.7  140.7  Favored   4   6  0.86   8  0.50  molprobity     1  True   
328  328  mmt180   -121.9  109.9  Favored  13  10  0.84  11  0.69  molprobity     1  True   
329  329  ?             ?      ?  ?         6   4  1.07   1  0.17  mogul          ?  False  
330  330  p        -123.6  130.5  Favored   9   6  1.01   7  0.57  molprobity     1  True   
331  331  ?             ?      ?  ?         6   4  1.05   1  0.29  mogul          ?  False  
332  332  ttm180   -126.7  122.5  Favored  13  11  0.80  14  0.60  molprobity     1  True   
333  333  tpm_?      62.0   31.8  Favored  13  11  0.78  14  0.78  molprobity     1  True   
334  334  ?          88.7  -17.0  Favored   3   4  0.80   5  0.18  molprobity     1  True   
335  335  t         -84.8  115.4  Favored   9   6  0.42   7  0.44  molprobity     1  True   
336  336  ?             ?      ?  ?         6   4  0.81   1  0.30  mogul          ?  False  
337  337  ttm180   -106.7  125.0  Favored  13  10  0.78  11  0.96  molprobity     1  True   
338  338  ?             ?      ?  ?         6   4  0.80   1  0.37  mogul          ?  False  
339  339  t         -95.9  119.2  Favored   9   7  0.61  10  0.43  molprobity     1  True   
340  340  m        -116.5  136.5  Favored   4   6  0.56   8  0.29  molprobity     1  True   
341  341  ptp180   -154.1  132.4  Favored  13  11  0.60  14  0.78  molprobity     1  True   
342  342  ttt180        ?      ?  ?        13  10  0.70  11  1.21  molprobity     1  True   
343  343  ?             ?      ?  ?         3   4  0.91   5  0.53  molprobity     1  True   
344  344  m         -98.5  119.3  Favored   9   7  0.61  10  0.64  molprobity     1  True   
345  345  m         -80.0  105.5  Favored   4   6  0.88   8  0.66  molprobity     1  True   
346  346  mmt180   -104.3  137.7  Favored  13  10  0.71  11  1.04  molprobity     1  True   
347  347  ?             ?      ?  ?         6   4  1.00   1  0.40  mogul          ?  False  
348  348  p        -111.4  145.7  Favored   9   6  0.62   7  0.60  molprobity     1  True   
349  349  ?             ?      ?  ?         6   4  0.98   1  0.15  mogul          ?  False  
350  350  ptt180   -126.2  132.8  Favored  13  11  0.55  14  0.61  molprobity     1  True   
351  351  tpt180     59.6   29.7  Favored  13  11  0.75  14  0.69  molprobity     1  True   
352  352  ?          76.0    6.2  Favored   3   4  0.57   5  0.43  molprobity     1  True   
353  353  t        -108.2  119.8  Favored   9   6  0.64   7  0.76  molprobity     1  True   
354  354  ?             ?      ?  ?         6   4  0.84   1  0.28  mogul          ?  False  
355  355  tmt_?    -124.6  134.2  Favored  13  10  0.63  11  0.94  molprobity     1  True   
356  356  ?             ?      ?  ?         6   4  0.68   1  0.48  mogul          ?  False  
357  357  m        -123.8  134.3  Favored   9   7  0.58  10  0.47  molprobity     1  True   
358  358  m         -89.0  106.1  Favored   4   6  1.20   8  0.89  molprobity     1  True   
359  359  ptt180   -117.3  124.8  Favored  13  11  0.70  14  0.73  molprobity     1  True   
360  360  ttt180        ?      ?  ?        13  10  0.41  11  0.76  molprobity     1  True   
#
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  134  NE  1  0.59  2.13  
2  134  HA  1  0.59  2.13  
3  198  HA  2  0.43  2.29  
4  198  NE  2  0.43  2.29  
5  333  NE  3  0.48  2.24  
6  333  HA  3  0.48  2.24  
7  345  HA  4  0.41  2.16  
8  357  O   4  0.41  2.16  
#
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   43  CA  N  1.41  1.48  24  0.03  -2.27  0.01  
2  133  CA  N  1.41  1.48  24  0.03  -2.12  0.01  
3  151  CA  N  1.41  1.48  24  0.03  -2.06  0.01  
4  223  CA  N  1.41  1.48  24  0.03  -2.27  0.01  
5  241  CA  N  1.42  1.48  24  0.03  -2.02  0.01  
#
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    5  O  C  CA  CB  47.14  53.30  16  24.00  10.53  0.00  
 2   14  O  C  CA  CB  42.85  55.45  16  26.09  14.82  0.00  
 3   23  O  C  CA  CB  46.38  53.69  16  24.34  11.29  0.00  
 4   41  O  C  CA  CB  46.86  53.45  16  24.12  10.82  0.00  
 5   61  O  C  CA  CB  44.90  54.43  16  25.04  12.78  0.00  
 6   95  O  C  CA  CB  41.27  56.24  16  26.94  16.40  0.00  
 7  104  O  C  CA  CB  40.16  56.79  16  27.57  17.51  0.00  
 8  120  O  C  CA  CB  45.01  54.37  16  24.99  12.66  0.00  
 9  131  O  C  CA  CB  42.66  55.54  16  26.19  15.01  0.00  
10  133  O  C  CA  CB  86.29  39.05  16  22.57  11.44  0.00  
11  149  O  C  CA  CB  39.35  57.20  16  28.04  18.32  0.00  
12  156  O  C  CA  CB  37.33  58.21  16  29.25  16.78  0.00  
13  174  O  C  CA  CB  42.11  55.82  16  26.48  15.56  0.00  
14  187  O  C  CA  CB  40.67  56.54  16  27.28  17.00  0.00  
15  203  O  C  CA  CB  43.55  55.10  16  25.72  14.13  0.00  
16  210  O  C  CA  CB  36.33  58.71  16  29.87  15.79  0.00  
17  221  O  C  CA  CB  38.65  57.55  16  28.46  18.10  0.00  
18  223  O  C  CA  CB  38.86  57.45  16  28.33  18.31  0.00  
19  230  O  C  CA  CB  44.27  54.74  16  25.35  13.41  0.00  
20  248  O  C  CA  CB  41.02  56.36  16  27.08  16.65  0.00  
21  259  O  C  CA  CB  47.38  53.18  16  23.89  10.29  0.00  
22  264  O  C  CA  CB  39.39  57.18  16  28.02  18.29  0.00  
23  275  O  C  CA  CB  38.03  57.86  16  28.82  17.49  0.00  
24  277  O  C  CA  CB  38.95  57.40  16  28.27  18.41  0.00  
25  284  O  C  CA  CB  46.91  53.42  16  24.10  10.76  0.00  
26  295  O  C  CA  CB  38.98  57.38  16  28.26  18.44  0.00  
27  311  O  C  CA  CB  46.09  53.83  16  24.47  11.58  0.00  
28  336  O  C  CA  CB  35.29  59.23  16  30.53  14.75  0.00  
29  347  O  C  CA  CB  34.28  59.73  16  31.18  13.74  0.00  
30  354  O  C  CA  CB  44.23  54.76  16  25.37  13.44  0.00  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  2  True  
 2  1  ?     
 3  3  ?     
 4  1  ?     
 5  2  ?     
 6  2  ?     
 7  4  ?     
 8  2  ?     
 9  3  True  
10  1  True  
11  1  ?     
12  3  ?     
13  4  True  
14  1  ?     
15  1  ?     
16  3  ?     
17  1  ?     
18  1  ?     
19  1  ?     
20  4  ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      4
_pdbx_vrpt_cyrange_domain.number_of_residues  14
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.730
_pdbx_vrpt_cyrange_domain.medoid_model        10
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.827
_pdbx_vrpt_cyrange_domain.residue_string      "A:1-A:4, A:6-A:6, A:8-A:11, A:13-A:13, A:15-A:18"
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           4
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        assigned_chem_shift_list_1
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           185
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           185
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            185
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  A  GLY   1  0.073  
 2  A  VAL   2  0.055  
 3  A  CYS   3  0.021  
 4  A  ARG   4  0.021  
 5  A  VAL   6  0.036  
 6  A  ARG   8  0.040  
 7  A  ARG   9  0.044  
 8  A  GLY  10  0.058  
 9  A  VAL  11  0.054  
10  A  ARG  13  0.029  
11  A  VAL  15  0.020  
12  A  CYS  16  0.017  
13  A  ARG  17  0.026  
14  A  ARG  18  0.029  
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00  0.00   0  
2  CA  0.50  0.00  0.00  14  
3  CB  0.50  0.00  0.00  12  
4  N   0.50  0.00  0.00   0  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1    0   4    4  stereomethyl  stereomethyl  
 2  149  77  226  overall       Total         
 3   43  29   72  backbone      Total         
 4  106  48  154  sidechain     Total         
 5  103  25  128  overall       H             
 6   29   1   30  backbone      H             
 7   74  24   98  sidechain     H             
 8   46  20   66  overall       C             
 9   14  14   28  backbone      C             
10   32   6   38  sidechain     C             
11    0  32   32  overall       N             
12    0  14   14  backbone      N             
13    0  18   18  sidechain     N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0   4    4  stereomethyl  stereomethyl  
 2  149  77  226  overall       Total         
 3   43  29   72  backbone      Total         
 4  106  48  154  sidechain     Total         
 5  103  25  128  overall       H             
 6   29   1   30  backbone      H             
 7   74  24   98  sidechain     H             
 8   46  20   66  overall       C             
 9   14  14   28  backbone      C             
10   32   6   38  sidechain     C             
11    0  32   32  overall       N             
12    0  14   14  backbone      N             
13    0  18   18  sidechain     N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    108  
 2  "Intra-residue (|i-j|=0)"                       52  
 3  "Sequential (|i-j|=1)"                          28  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             6  
 5  "Long range (|i-j|>=5)"                         10  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                12  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"               32  
10  "Number of unmapped restraints"                  3  
11  "Number of restraints per residue"             7.8  
12  "Number of long range restraints per residue"  1.2  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                  52   48.1  0  0.0  0.0  2  1.9   3.8  
 2  Intra-residue  BackboneBackbone      2    1.9  0  0.0  0.0  0  0.0   0.0  
 3  Intra-residue  BackboneSidechain    49   45.4  0  0.0  0.0  2  1.9   4.1  
 4  Intra-residue  SidechainSidechain    1    0.9  0  0.0  0.0  0  0.0   0.0  
 5  Sequential     all                  28   25.9  0  0.0  0.0  1  0.9   3.6  
 6  Sequential     BackboneBackbone     18   16.7  0  0.0  0.0  0  0.0   0.0  
 7  Sequential     BackboneSidechain    10    9.3  0  0.0  0.0  1  0.9  10.0  
 8  Sequential     SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0   0.0  
 9  MediumRange    all                   6    5.6  0  0.0  0.0  0  0.0   0.0  
10  MediumRange    BackboneBackbone      2    1.9  0  0.0  0.0  0  0.0   0.0  
11  MediumRange    BackboneSidechain     2    1.9  0  0.0  0.0  0  0.0   0.0  
12  MediumRange    SidechainSidechain    2    1.9  0  0.0  0.0  0  0.0   0.0  
13  LongRange      all                  10    9.3  0  0.0  0.0  0  0.0   0.0  
14  LongRange      BackboneBackbone      9    8.3  0  0.0  0.0  0  0.0   0.0  
15  LongRange      BackboneSidechain     1    0.9  0  0.0  0.0  0  0.0   0.0  
16  LongRange      SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0   0.0  
17  InterChain     all                   0    0.0  0  0.0  0.0  0  0.0   0.0  
18  InterChain     BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0   0.0  
19  InterChain     BackboneSidechain     0    0.0  0  0.0  0.0  0  0.0   0.0  
20  InterChain     SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0   0.0  
21  HydrogenBond   all                  12   11.1  0  0.0  0.0  0  0.0   0.0  
22  DisulfideBond  all                   0    0.0  0  0.0  0.0  0  0.0   0.0  
23  Total          all                 108  100.0  0  0.0  0.0  3  2.8   2.8  
24  Total          BackboneBackbone     31   28.7  0  0.0  0.0  0  0.0   0.0  
25  Total          BackboneSidechain    62   57.4  0  0.0  0.0  3  2.8   4.8  
26  Total          SidechainSidechain    3    2.8  0  0.0  0.0  0  0.0   0.0  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  0.00  0.00  0.00  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.13  0.13  0.13  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.14  0.14  0.14  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.14  0.14  0.14  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.11  0.11  0.11  0.00  
10  10  0.14  0.14  0.14  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  0.11  0.11  0.11  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.15  0.15  0.15  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.15  0.15  0.15  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.14  0.14  0.14  0.00  
20  20  0.13  0.13  0.13  0.00  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  1  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         1  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    1  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         1  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    1  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         1  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  1  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         1  
 55  10  intraresidue  0  
 56  10  sequential    1  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         1  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    1  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         1  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  1  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         1  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    1  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         1  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    1  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         1  
115  20  intraresidue  0  
116  20  sequential    1  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         1  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  1  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         1  
  7   2  intraresidue  1  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         1  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    1  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         1  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.1   0.5   
2  0.2-0.5  None  None  
3  >0.5     None  None  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
1  36  1  .  A  6  VAL  ?     1  A  6  HB  A  .  7  ABA  7  A  1  ?     H    7  0.14  0.14  0.01  
2  15  1  .  A  7  ABA  ?     1  A  7  H   A  .  7  ABA  7  A  1  ?     HB2  2  0.13  0.13  0.02  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
 1  36  1  276  277  HB  H    0.15  
 2  15  1  241  241  H   HB2  0.15  
 3  36  1   78   79  HB  H    0.14  
 4  36  1  114  115  HB  H    0.14  
 5  36  1  168  169  HB  H    0.14  
 6  36  1  330  331  HB  H    0.14  
 7  36  1  348  349  HB  H    0.13  
 8  14  1   43   43  H   HB3  0.13  
 9  36  1  204  205  HB  H    0.11  
10  15  1  151  151  H   HB2  0.11  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  PSI    12   37.5  0  0.0  0.0  1  3.1   8.3  
2  PHI    16   50.0  0  0.0  0.0  2  6.2  12.5  
3  CHI1    4   12.5  0  0.0  0.0  0  0.0   0.0  
4  Total  32  100.0  0  0.0  0.0  3  9.4   9.4  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  1.10  1.10  1.10  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.00  0.00  0.00  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  1.90  1.90  1.90  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  1.30  1.30  1.30  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  0.00  0.00  0.00  0.00  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PSI    0  
 2   1  PHI    1  
 3   1  CHI1   0  
 4   1  Total  1  
 5   2  PSI    0  
 6   2  PHI    0  
 7   2  CHI1   0  
 8   2  Total  0  
 9   3  PSI    0  
10   3  PHI    0  
11   3  CHI1   0  
12   3  Total  0  
13   4  PSI    0  
14   4  PHI    0  
15   4  CHI1   0  
16   4  Total  0  
17   5  PSI    0  
18   5  PHI    0  
19   5  CHI1   0  
20   5  Total  0  
21   6  PSI    0  
22   6  PHI    0  
23   6  CHI1   0  
24   6  Total  0  
25   7  PSI    1  
26   7  PHI    0  
27   7  CHI1   0  
28   7  Total  1  
29   8  PSI    0  
30   8  PHI    0  
31   8  CHI1   0  
32   8  Total  0  
33   9  PSI    0  
34   9  PHI    0  
35   9  CHI1   0  
36   9  Total  0  
37  10  PSI    0  
38  10  PHI    0  
39  10  CHI1   0  
40  10  Total  0  
41  11  PSI    0  
42  11  PHI    0  
43  11  CHI1   0  
44  11  Total  0  
45  12  PSI    0  
46  12  PHI    1  
47  12  CHI1   0  
48  12  Total  1  
49  13  PSI    0  
50  13  PHI    0  
51  13  CHI1   0  
52  13  Total  0  
53  14  PSI    0  
54  14  PHI    0  
55  14  CHI1   0  
56  14  Total  0  
57  15  PSI    0  
58  15  PHI    0  
59  15  CHI1   0  
60  15  Total  0  
61  16  PSI    0  
62  16  PHI    0  
63  16  CHI1   0  
64  16  Total  0  
65  17  PSI    0  
66  17  PHI    0  
67  17  CHI1   0  
68  17  Total  0  
69  18  PSI    0  
70  18  PHI    0  
71  18  CHI1   0  
72  18  Total  0  
73  19  PSI    0  
74  19  PHI    0  
75  19  CHI1   0  
76  19  Total  0  
77  20  PSI    0  
78  20  PHI    0  
79  20  CHI1   0  
80  20  Total  0  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PSI    1  
 2   1  PHI    2  
 3   1  CHI1   0  
 4   1  Total  3  
 5   2  PSI    0  
 6   2  PHI    0  
 7   2  CHI1   0  
 8   2  Total  0  
 9   3  PSI    0  
10   3  PHI    0  
11   3  CHI1   0  
12   3  Total  0  
13   4  PSI    0  
14   4  PHI    0  
15   4  CHI1   0  
16   4  Total  0  
17   5  PSI    0  
18   5  PHI    0  
19   5  CHI1   0  
20   5  Total  0  
21   6  PSI    0  
22   6  PHI    0  
23   6  CHI1   0  
24   6  Total  0  
25   7  PSI    0  
26   7  PHI    0  
27   7  CHI1   0  
28   7  Total  0  
29   8  PSI    0  
30   8  PHI    0  
31   8  CHI1   0  
32   8  Total  0  
33   9  PSI    0  
34   9  PHI    0  
35   9  CHI1   0  
36   9  Total  0  
37  10  PSI    0  
38  10  PHI    0  
39  10  CHI1   0  
40  10  Total  0  
41  11  PSI    0  
42  11  PHI    0  
43  11  CHI1   0  
44  11  Total  0  
45  12  PSI    0  
46  12  PHI    0  
47  12  CHI1   0  
48  12  Total  0  
49  13  PSI    0  
50  13  PHI    0  
51  13  CHI1   0  
52  13  Total  0  
53  14  PSI    0  
54  14  PHI    0  
55  14  CHI1   0  
56  14  Total  0  
57  15  PSI    0  
58  15  PHI    0  
59  15  CHI1   0  
60  15  Total  0  
61  16  PSI    0  
62  16  PHI    0  
63  16  CHI1   0  
64  16  Total  0  
65  17  PSI    0  
66  17  PHI    0  
67  17  CHI1   0  
68  17  Total  0  
69  18  PSI    0  
70  18  PHI    0  
71  18  CHI1   0  
72  18  Total  0  
73  19  PSI    0  
74  19  PHI    0  
75  19  CHI1   0  
76  19  Total  0  
77  20  PSI    0  
78  20  PHI    0  
79  20  CHI1   0  
80  20  Total  0  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   1.9   0.1   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
1  30  1  125  125  125  126  N  CA  C   N  1.90  
2   6  1  201  202  202  202  C  N   CA  C  1.30  
3  12  1    6    7    7    7  C  N   CA  C  1.10  
#
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                  "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  coreclust              2.33                                                                  Y  
4  chemicalshiftanalysis  2.33                                                                  Y  
5  panav                  "Wang et al. (2010)"                                                  Y  
6  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
7  restraintsanalysis     v1.2                                                                  Y  
8  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
