data_4CZ4

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   4CZ4       
PDBE  EBI-60373  
BMRB  19929      
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    4CZ4
_pdbx_vrpt_summary.PDB_deposition_date         2014-04-16
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-06:19:09
_pdbx_vrpt_summary.attempted_validation_steps  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  VILLIN-1
#
_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   54.23  158937  ?     ?     
2  2  1   65.75   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3   60.64  154315  ?     ?     
6  2  3   93.80   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   24.16  
 4  6  3  A   1  1  A   24.16  
 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   24.16  
20  6  3  A   5  1  A   24.16  
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    7.33  
36  6  3  A   9  1  A    7.33  
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   24.16  
40  6  3  A  10  1  A   24.16  
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   24.16  
44  6  3  A  11  1  A   24.16  
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   24.16  
56  6  3  A  14  1  A   24.16  
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   24.16  
72  6  3  A  18  1  A   24.16  
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  0.50  0.64  201  268  
 2   2  1  A  A  0.55  0.66  201  268  
 3   3  1  A  A  0.55  0.63  201  268  
 4   4  1  A  A  0.52  0.59  201  268  
 5   5  1  A  A  0.59  0.67  201  268  
 6   6  1  A  A  0.47  0.60  201  268  
 7   7  1  A  A  0.54  0.57  201  268  
 8   8  1  A  A  0.53  0.58  201  268  
 9   9  1  A  A  0.51  0.64  201  268  
10  10  1  A  A  0.55  0.59  201  268  
11  11  1  A  A  0.52  0.60  201  268  
12  12  1  A  A  0.55  0.65  201  268  
13  13  1  A  A  0.52  0.63  201  268  
14  14  1  A  A  0.56  0.61  201  268  
15  15  1  A  A  0.46  0.61  201  268  
16  16  1  A  A  0.55  0.61  201  268  
17  17  1  A  A  0.54  0.62  201  268  
18  18  1  A  A  0.53  0.61  201  268  
19  19  1  A  A  0.50  0.63  201  268  
20  20  1  A  A  0.58  0.60  201  268  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   1.79
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       2.00
_pdbx_vrpt_summary_geometry.clashscore                                 5.37
_pdbx_vrpt_summary_geometry.clashscore_full_length                     6.46
_pdbx_vrpt_summary_geometry.num_H_reduce                               4200
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             4020
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.62
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            5360
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.53
#
_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            7
_pdbx_vrpt_summary_nmr.medoid_model                             20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              3
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              3
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              78.08
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  76.20
#
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
  1   1  1  A   1  ACE  A  52  .  ?        ?  
  2   1  1  A   2  MET  A  53  .  ?        ?  
  3   1  1  A   3  THR  A  54  .  ?        ?  
  4   1  1  A   4  ARG  A  55  .  ?        ?  
  5   1  1  A   5  SER  A  56  .  ?        ?  
  6   1  1  A   6  ALA  A  57  .  ?        ?  
  7   1  1  A   7  PHE  A  58  .  ?        ?  
  8   1  1  A   8  ALA  A  59  .  ?        ?  
  9   1  1  A   9  ASN  A  60  .  ?        ?  
 10   1  1  A  10  LEU  A  61  .  ?        ?  
 11   1  1  A  11  PRO  A  62  .  ?        ?  
 12   1  1  A  12  LEU  A  63  .  ?        ?  
 13   1  1  A  13  TRP  A  64  .  ?        ?  
 14   1  1  A  14  LYS  A  65  .  ?        ?  
 15   1  1  A  15  GLN  A  66  .  ?        ?  
 16   1  1  A  16  GLN  A  67  .  ?        ?  
 17   1  1  A  17  ALA  A  68  .  ?        ?  
 18   1  1  A  18  LEU  A  69  .  ?        ?  
 19   1  1  A  19  MET  A  70  .  ?        ?  
 20   1  1  A  20  LYS  A  71  .  ?        2  
 21   1  1  A  21  GLU  A  72  .  ?        ?  
 22   1  1  A  22  LYS  A  73  .  ?        ?  
 23   1  1  A  23  GLY  A  74  .  ?        ?  
 24   1  1  A  24  LEU  A  75  .  ?        ?  
 25   1  1  A  25  PHE  A  76  .  ?        ?  
 26   1  1  A  26  NH2  A  77  .  ?        ?  
 27   2  1  A   1  ACE  A  52  .  ?        ?  
 28   2  1  A   2  MET  A  53  .  ?        1  
 29   2  1  A   3  THR  A  54  .  ?        ?  
 30   2  1  A   4  ARG  A  55  .  ?        ?  
 31   2  1  A   5  SER  A  56  .  ?        ?  
 32   2  1  A   6  ALA  A  57  .  ?        ?  
 33   2  1  A   7  PHE  A  58  .  ?        ?  
 34   2  1  A   8  ALA  A  59  .  ?        ?  
 35   2  1  A   9  ASN  A  60  .  ?        ?  
 36   2  1  A  10  LEU  A  61  .  ?        1  
 37   2  1  A  11  PRO  A  62  .  ?        ?  
 38   2  1  A  12  LEU  A  63  .  ?        1  
 39   2  1  A  13  TRP  A  64  .  ?        ?  
 40   2  1  A  14  LYS  A  65  .  ?        ?  
 41   2  1  A  15  GLN  A  66  .  ?        ?  
 42   2  1  A  16  GLN  A  67  .  ?        1  
 43   2  1  A  17  ALA  A  68  .  ?        ?  
 44   2  1  A  18  LEU  A  69  .  ?        1  
 45   2  1  A  19  MET  A  70  .  ?        1  
 46   2  1  A  20  LYS  A  71  .  ?        ?  
 47   2  1  A  21  GLU  A  72  .  ?        2  
 48   2  1  A  22  LYS  A  73  .  ?        1  
 49   2  1  A  23  GLY  A  74  .  ?        ?  
 50   2  1  A  24  LEU  A  75  .  ?        1  
 51   2  1  A  25  PHE  A  76  .  ?        ?  
 52   2  1  A  26  NH2  A  77  .  ?        ?  
 53   3  1  A   1  ACE  A  52  .  ?        ?  
 54   3  1  A   2  MET  A  53  .  ?        ?  
 55   3  1  A   3  THR  A  54  .  ?        ?  
 56   3  1  A   4  ARG  A  55  .  ?        3  
 57   3  1  A   5  SER  A  56  .  ?        ?  
 58   3  1  A   6  ALA  A  57  .  ?        ?  
 59   3  1  A   7  PHE  A  58  .  ?        1  
 60   3  1  A   8  ALA  A  59  .  ?        ?  
 61   3  1  A   9  ASN  A  60  .  ?        ?  
 62   3  1  A  10  LEU  A  61  .  ?        ?  
 63   3  1  A  11  PRO  A  62  .  ?        ?  
 64   3  1  A  12  LEU  A  63  .  ?        ?  
 65   3  1  A  13  TRP  A  64  .  ?        ?  
 66   3  1  A  14  LYS  A  65  .  ?        ?  
 67   3  1  A  15  GLN  A  66  .  ?        ?  
 68   3  1  A  16  GLN  A  67  .  ?        1  
 69   3  1  A  17  ALA  A  68  .  ?        ?  
 70   3  1  A  18  LEU  A  69  .  ?        ?  
 71   3  1  A  19  MET  A  70  .  ?        ?  
 72   3  1  A  20  LYS  A  71  .  ?        ?  
 73   3  1  A  21  GLU  A  72  .  ?        ?  
 74   3  1  A  22  LYS  A  73  .  ?        ?  
 75   3  1  A  23  GLY  A  74  .  ?        ?  
 76   3  1  A  24  LEU  A  75  .  ?        ?  
 77   3  1  A  25  PHE  A  76  .  ?        1  
 78   3  1  A  26  NH2  A  77  .  ?        ?  
 79   4  1  A   1  ACE  A  52  .  ?        ?  
 80   4  1  A   2  MET  A  53  .  ?        ?  
 81   4  1  A   3  THR  A  54  .  ?        ?  
 82   4  1  A   4  ARG  A  55  .  ?        ?  
 83   4  1  A   5  SER  A  56  .  ?        ?  
 84   4  1  A   6  ALA  A  57  .  ?        ?  
 85   4  1  A   7  PHE  A  58  .  ?        ?  
 86   4  1  A   8  ALA  A  59  .  ?        ?  
 87   4  1  A   9  ASN  A  60  .  ?        ?  
 88   4  1  A  10  LEU  A  61  .  ?        ?  
 89   4  1  A  11  PRO  A  62  .  ?        ?  
 90   4  1  A  12  LEU  A  63  .  ?        ?  
 91   4  1  A  13  TRP  A  64  .  ?        1  
 92   4  1  A  14  LYS  A  65  .  ?        1  
 93   4  1  A  15  GLN  A  66  .  ?        ?  
 94   4  1  A  16  GLN  A  67  .  ?        ?  
 95   4  1  A  17  ALA  A  68  .  ?        ?  
 96   4  1  A  18  LEU  A  69  .  ?        ?  
 97   4  1  A  19  MET  A  70  .  ?        ?  
 98   4  1  A  20  LYS  A  71  .  ?        ?  
 99   4  1  A  21  GLU  A  72  .  ?        ?  
100   4  1  A  22  LYS  A  73  .  ?        ?  
101   4  1  A  23  GLY  A  74  .  ?        ?  
102   4  1  A  24  LEU  A  75  .  ?        ?  
103   4  1  A  25  PHE  A  76  .  ?        ?  
104   4  1  A  26  NH2  A  77  .  ?        ?  
105   5  1  A   1  ACE  A  52  .  ?        ?  
106   5  1  A   2  MET  A  53  .  ?        ?  
107   5  1  A   3  THR  A  54  .  ?        ?  
108   5  1  A   4  ARG  A  55  .  ?        ?  
109   5  1  A   5  SER  A  56  .  ?        ?  
110   5  1  A   6  ALA  A  57  .  ?        ?  
111   5  1  A   7  PHE  A  58  .  ?        ?  
112   5  1  A   8  ALA  A  59  .  ?        ?  
113   5  1  A   9  ASN  A  60  .  ?        ?  
114   5  1  A  10  LEU  A  61  .  ?        1  
115   5  1  A  11  PRO  A  62  .  ?        ?  
116   5  1  A  12  LEU  A  63  .  ?        ?  
117   5  1  A  13  TRP  A  64  .  ?        ?  
118   5  1  A  14  LYS  A  65  .  ?        ?  
119   5  1  A  15  GLN  A  66  .  ?        1  
120   5  1  A  16  GLN  A  67  .  ?        ?  
121   5  1  A  17  ALA  A  68  .  ?        ?  
122   5  1  A  18  LEU  A  69  .  ?        ?  
123   5  1  A  19  MET  A  70  .  ?        ?  
124   5  1  A  20  LYS  A  71  .  ?        ?  
125   5  1  A  21  GLU  A  72  .  ?        ?  
126   5  1  A  22  LYS  A  73  .  ?        ?  
127   5  1  A  23  GLY  A  74  .  ?        ?  
128   5  1  A  24  LEU  A  75  .  ?        ?  
129   5  1  A  25  PHE  A  76  .  ?        ?  
130   5  1  A  26  NH2  A  77  .  ?        ?  
131   6  1  A   1  ACE  A  52  .  ?        ?  
132   6  1  A   2  MET  A  53  .  ?        ?  
133   6  1  A   3  THR  A  54  .  ?        ?  
134   6  1  A   4  ARG  A  55  .  ?        ?  
135   6  1  A   5  SER  A  56  .  ?        ?  
136   6  1  A   6  ALA  A  57  .  ?        ?  
137   6  1  A   7  PHE  A  58  .  ?        ?  
138   6  1  A   8  ALA  A  59  .  ?        ?  
139   6  1  A   9  ASN  A  60  .  ?        ?  
140   6  1  A  10  LEU  A  61  .  ?        ?  
141   6  1  A  11  PRO  A  62  .  ?        ?  
142   6  1  A  12  LEU  A  63  .  ?        ?  
143   6  1  A  13  TRP  A  64  .  ?        ?  
144   6  1  A  14  LYS  A  65  .  ?        ?  
145   6  1  A  15  GLN  A  66  .  ?        ?  
146   6  1  A  16  GLN  A  67  .  ?        1  
147   6  1  A  17  ALA  A  68  .  ?        ?  
148   6  1  A  18  LEU  A  69  .  ?        ?  
149   6  1  A  19  MET  A  70  .  ?        2  
150   6  1  A  20  LYS  A  71  .  ?        ?  
151   6  1  A  21  GLU  A  72  .  ?        ?  
152   6  1  A  22  LYS  A  73  .  ?        2  
153   6  1  A  23  GLY  A  74  .  ?        ?  
154   6  1  A  24  LEU  A  75  .  ?        ?  
155   6  1  A  25  PHE  A  76  .  ?        1  
156   6  1  A  26  NH2  A  77  .  ?        ?  
157   7  1  A   1  ACE  A  52  .  ?        ?  
158   7  1  A   2  MET  A  53  .  ?        ?  
159   7  1  A   3  THR  A  54  .  ?        ?  
160   7  1  A   4  ARG  A  55  .  ?        ?  
161   7  1  A   5  SER  A  56  .  ?        ?  
162   7  1  A   6  ALA  A  57  .  ?        ?  
163   7  1  A   7  PHE  A  58  .  ?        ?  
164   7  1  A   8  ALA  A  59  .  ?        ?  
165   7  1  A   9  ASN  A  60  .  ?        ?  
166   7  1  A  10  LEU  A  61  .  ?        ?  
167   7  1  A  11  PRO  A  62  .  ?        ?  
168   7  1  A  12  LEU  A  63  .  ?        ?  
169   7  1  A  13  TRP  A  64  .  ?        ?  
170   7  1  A  14  LYS  A  65  .  ?        ?  
171   7  1  A  15  GLN  A  66  .  ?        ?  
172   7  1  A  16  GLN  A  67  .  ?        ?  
173   7  1  A  17  ALA  A  68  .  ?        ?  
174   7  1  A  18  LEU  A  69  .  ?        ?  
175   7  1  A  19  MET  A  70  .  ?        ?  
176   7  1  A  20  LYS  A  71  .  ?        ?  
177   7  1  A  21  GLU  A  72  .  ?        ?  
178   7  1  A  22  LYS  A  73  .  ?        ?  
179   7  1  A  23  GLY  A  74  .  ?        ?  
180   7  1  A  24  LEU  A  75  .  ?        ?  
181   7  1  A  25  PHE  A  76  .  ?        ?  
182   7  1  A  26  NH2  A  77  .  ?        ?  
183   8  1  A   1  ACE  A  52  .  ?        ?  
184   8  1  A   2  MET  A  53  .  ?        ?  
185   8  1  A   3  THR  A  54  .  ?        ?  
186   8  1  A   4  ARG  A  55  .  ?        ?  
187   8  1  A   5  SER  A  56  .  ?        ?  
188   8  1  A   6  ALA  A  57  .  ?        ?  
189   8  1  A   7  PHE  A  58  .  ?        ?  
190   8  1  A   8  ALA  A  59  .  ?        ?  
191   8  1  A   9  ASN  A  60  .  ?        ?  
192   8  1  A  10  LEU  A  61  .  ?        ?  
193   8  1  A  11  PRO  A  62  .  ?        ?  
194   8  1  A  12  LEU  A  63  .  ?        ?  
195   8  1  A  13  TRP  A  64  .  ?        ?  
196   8  1  A  14  LYS  A  65  .  ?        ?  
197   8  1  A  15  GLN  A  66  .  ?        ?  
198   8  1  A  16  GLN  A  67  .  ?        ?  
199   8  1  A  17  ALA  A  68  .  ?        ?  
200   8  1  A  18  LEU  A  69  .  ?        ?  
201   8  1  A  19  MET  A  70  .  ?        ?  
202   8  1  A  20  LYS  A  71  .  ?        ?  
203   8  1  A  21  GLU  A  72  .  ?        ?  
204   8  1  A  22  LYS  A  73  .  ?        ?  
205   8  1  A  23  GLY  A  74  .  ?        ?  
206   8  1  A  24  LEU  A  75  .  ?        ?  
207   8  1  A  25  PHE  A  76  .  ?        ?  
208   8  1  A  26  NH2  A  77  .  ?        ?  
209   9  1  A   1  ACE  A  52  .  ?        ?  
210   9  1  A   2  MET  A  53  .  ?        ?  
211   9  1  A   3  THR  A  54  .  ?        ?  
212   9  1  A   4  ARG  A  55  .  ?        ?  
213   9  1  A   5  SER  A  56  .  ?        ?  
214   9  1  A   6  ALA  A  57  .  ?        ?  
215   9  1  A   7  PHE  A  58  .  ?        ?  
216   9  1  A   8  ALA  A  59  .  ?        ?  
217   9  1  A   9  ASN  A  60  .  ?        ?  
218   9  1  A  10  LEU  A  61  .  ?        ?  
219   9  1  A  11  PRO  A  62  .  ?        1  
220   9  1  A  12  LEU  A  63  .  ?        ?  
221   9  1  A  13  TRP  A  64  .  ?        ?  
222   9  1  A  14  LYS  A  65  .  ?        ?  
223   9  1  A  15  GLN  A  66  .  ?        1  
224   9  1  A  16  GLN  A  67  .  ?        ?  
225   9  1  A  17  ALA  A  68  .  ?        ?  
226   9  1  A  18  LEU  A  69  .  ?        ?  
227   9  1  A  19  MET  A  70  .  ?        ?  
228   9  1  A  20  LYS  A  71  .  ?        ?  
229   9  1  A  21  GLU  A  72  .  ?        ?  
230   9  1  A  22  LYS  A  73  .  ?        ?  
231   9  1  A  23  GLY  A  74  .  ?        ?  
232   9  1  A  24  LEU  A  75  .  ?        ?  
233   9  1  A  25  PHE  A  76  .  ?        ?  
234   9  1  A  26  NH2  A  77  .  ?        ?  
235  10  1  A   1  ACE  A  52  .  ?        ?  
236  10  1  A   2  MET  A  53  .  ?        ?  
237  10  1  A   3  THR  A  54  .  ?        ?  
238  10  1  A   4  ARG  A  55  .  ?        ?  
239  10  1  A   5  SER  A  56  .  ?        ?  
240  10  1  A   6  ALA  A  57  .  ?        ?  
241  10  1  A   7  PHE  A  58  .  ?        ?  
242  10  1  A   8  ALA  A  59  .  ?        ?  
243  10  1  A   9  ASN  A  60  .  ?        ?  
244  10  1  A  10  LEU  A  61  .  ?        ?  
245  10  1  A  11  PRO  A  62  .  ?        1  
246  10  1  A  12  LEU  A  63  .  ?        1  
247  10  1  A  13  TRP  A  64  .  ?        1  
248  10  1  A  14  LYS  A  65  .  ?        1  
249  10  1  A  15  GLN  A  66  .  ?        1  
250  10  1  A  16  GLN  A  67  .  ?        1  
251  10  1  A  17  ALA  A  68  .  ?        ?  
252  10  1  A  18  LEU  A  69  .  ?        ?  
253  10  1  A  19  MET  A  70  .  ?        ?  
254  10  1  A  20  LYS  A  71  .  ?        ?  
255  10  1  A  21  GLU  A  72  .  ?        ?  
256  10  1  A  22  LYS  A  73  .  ?        ?  
257  10  1  A  23  GLY  A  74  .  ?        ?  
258  10  1  A  24  LEU  A  75  .  ?        ?  
259  10  1  A  25  PHE  A  76  .  ?        ?  
260  10  1  A  26  NH2  A  77  .  ?        ?  
261  11  1  A   1  ACE  A  52  .  ?        ?  
262  11  1  A   2  MET  A  53  .  ?        ?  
263  11  1  A   3  THR  A  54  .  ?        ?  
264  11  1  A   4  ARG  A  55  .  ?        ?  
265  11  1  A   5  SER  A  56  .  ?        ?  
266  11  1  A   6  ALA  A  57  .  ?        ?  
267  11  1  A   7  PHE  A  58  .  ?        ?  
268  11  1  A   8  ALA  A  59  .  ?        ?  
269  11  1  A   9  ASN  A  60  .  ?        ?  
270  11  1  A  10  LEU  A  61  .  ?        ?  
271  11  1  A  11  PRO  A  62  .  ?        ?  
272  11  1  A  12  LEU  A  63  .  ?        ?  
273  11  1  A  13  TRP  A  64  .  ?        2  
274  11  1  A  14  LYS  A  65  .  ?        2  
275  11  1  A  15  GLN  A  66  .  ?        ?  
276  11  1  A  16  GLN  A  67  .  ?        ?  
277  11  1  A  17  ALA  A  68  .  ?        ?  
278  11  1  A  18  LEU  A  69  .  ?        ?  
279  11  1  A  19  MET  A  70  .  ?        4  
280  11  1  A  20  LYS  A  71  .  ?        ?  
281  11  1  A  21  GLU  A  72  .  ?        ?  
282  11  1  A  22  LYS  A  73  .  ?        ?  
283  11  1  A  23  GLY  A  74  .  ?        ?  
284  11  1  A  24  LEU  A  75  .  ?        2  
285  11  1  A  25  PHE  A  76  .  ?        2  
286  11  1  A  26  NH2  A  77  .  ?        ?  
287  12  1  A   1  ACE  A  52  .  ?        ?  
288  12  1  A   2  MET  A  53  .  ?        ?  
289  12  1  A   3  THR  A  54  .  ?        ?  
290  12  1  A   4  ARG  A  55  .  ?        ?  
291  12  1  A   5  SER  A  56  .  ?        ?  
292  12  1  A   6  ALA  A  57  .  ?        ?  
293  12  1  A   7  PHE  A  58  .  ?        1  
294  12  1  A   8  ALA  A  59  .  ?        ?  
295  12  1  A   9  ASN  A  60  .  ?        ?  
296  12  1  A  10  LEU  A  61  .  ?        1  
297  12  1  A  11  PRO  A  62  .  ?        1  
298  12  1  A  12  LEU  A  63  .  ?        ?  
299  12  1  A  13  TRP  A  64  .  ?        ?  
300  12  1  A  14  LYS  A  65  .  ?        ?  
301  12  1  A  15  GLN  A  66  .  ?        2  
302  12  1  A  16  GLN  A  67  .  ?        ?  
303  12  1  A  17  ALA  A  68  .  ?        ?  
304  12  1  A  18  LEU  A  69  .  ?        1  
305  12  1  A  19  MET  A  70  .  ?        ?  
306  12  1  A  20  LYS  A  71  .  ?        ?  
307  12  1  A  21  GLU  A  72  .  ?        ?  
308  12  1  A  22  LYS  A  73  .  ?        ?  
309  12  1  A  23  GLY  A  74  .  ?        ?  
310  12  1  A  24  LEU  A  75  .  ?        ?  
311  12  1  A  25  PHE  A  76  .  ?        ?  
312  12  1  A  26  NH2  A  77  .  ?        ?  
313  13  1  A   1  ACE  A  52  .  ?        ?  
314  13  1  A   2  MET  A  53  .  ?        ?  
315  13  1  A   3  THR  A  54  .  ?        ?  
316  13  1  A   4  ARG  A  55  .  ?        ?  
317  13  1  A   5  SER  A  56  .  ?        ?  
318  13  1  A   6  ALA  A  57  .  ?        ?  
319  13  1  A   7  PHE  A  58  .  ?        ?  
320  13  1  A   8  ALA  A  59  .  ?        ?  
321  13  1  A   9  ASN  A  60  .  ?        ?  
322  13  1  A  10  LEU  A  61  .  ?        1  
323  13  1  A  11  PRO  A  62  .  ?        ?  
324  13  1  A  12  LEU  A  63  .  ?        1  
325  13  1  A  13  TRP  A  64  .  ?        1  
326  13  1  A  14  LYS  A  65  .  ?        2  
327  13  1  A  15  GLN  A  66  .  ?        ?  
328  13  1  A  16  GLN  A  67  .  ?        1  
329  13  1  A  17  ALA  A  68  .  ?        ?  
330  13  1  A  18  LEU  A  69  .  ?        1  
331  13  1  A  19  MET  A  70  .  ?        2  
332  13  1  A  20  LYS  A  71  .  ?        ?  
333  13  1  A  21  GLU  A  72  .  ?        1  
334  13  1  A  22  LYS  A  73  .  ?        ?  
335  13  1  A  23  GLY  A  74  .  ?        ?  
336  13  1  A  24  LEU  A  75  .  ?        2  
337  13  1  A  25  PHE  A  76  .  ?        ?  
338  13  1  A  26  NH2  A  77  .  ?        ?  
339  14  1  A   1  ACE  A  52  .  ?        ?  
340  14  1  A   2  MET  A  53  .  ?        ?  
341  14  1  A   3  THR  A  54  .  ?        ?  
342  14  1  A   4  ARG  A  55  .  ?        ?  
343  14  1  A   5  SER  A  56  .  ?        ?  
344  14  1  A   6  ALA  A  57  .  ?        ?  
345  14  1  A   7  PHE  A  58  .  ?        ?  
346  14  1  A   8  ALA  A  59  .  ?        ?  
347  14  1  A   9  ASN  A  60  .  ?        ?  
348  14  1  A  10  LEU  A  61  .  ?        ?  
349  14  1  A  11  PRO  A  62  .  ?        ?  
350  14  1  A  12  LEU  A  63  .  ?        ?  
351  14  1  A  13  TRP  A  64  .  ?        ?  
352  14  1  A  14  LYS  A  65  .  ?        ?  
353  14  1  A  15  GLN  A  66  .  ?        ?  
354  14  1  A  16  GLN  A  67  .  ?        ?  
355  14  1  A  17  ALA  A  68  .  ?        ?  
356  14  1  A  18  LEU  A  69  .  ?        1  
357  14  1  A  19  MET  A  70  .  ?        ?  
358  14  1  A  20  LYS  A  71  .  ?        ?  
359  14  1  A  21  GLU  A  72  .  ?        1  
360  14  1  A  22  LYS  A  73  .  ?        ?  
361  14  1  A  23  GLY  A  74  .  ?        ?  
362  14  1  A  24  LEU  A  75  .  ?        ?  
363  14  1  A  25  PHE  A  76  .  ?        ?  
364  14  1  A  26  NH2  A  77  .  ?        ?  
365  15  1  A   1  ACE  A  52  .  ?        ?  
366  15  1  A   2  MET  A  53  .  ?        ?  
367  15  1  A   3  THR  A  54  .  ?        ?  
368  15  1  A   4  ARG  A  55  .  ?        ?  
369  15  1  A   5  SER  A  56  .  ?        ?  
370  15  1  A   6  ALA  A  57  .  ?        ?  
371  15  1  A   7  PHE  A  58  .  ?        ?  
372  15  1  A   8  ALA  A  59  .  ?        ?  
373  15  1  A   9  ASN  A  60  .  ?        ?  
374  15  1  A  10  LEU  A  61  .  ?        1  
375  15  1  A  11  PRO  A  62  .  ?        ?  
376  15  1  A  12  LEU  A  63  .  ?        ?  
377  15  1  A  13  TRP  A  64  .  ?        ?  
378  15  1  A  14  LYS  A  65  .  ?        1  
379  15  1  A  15  GLN  A  66  .  ?        ?  
380  15  1  A  16  GLN  A  67  .  ?        1  
381  15  1  A  17  ALA  A  68  .  ?        ?  
382  15  1  A  18  LEU  A  69  .  ?        ?  
383  15  1  A  19  MET  A  70  .  ?        ?  
384  15  1  A  20  LYS  A  71  .  ?        ?  
385  15  1  A  21  GLU  A  72  .  ?        ?  
386  15  1  A  22  LYS  A  73  .  ?        ?  
387  15  1  A  23  GLY  A  74  .  ?        ?  
388  15  1  A  24  LEU  A  75  .  ?        ?  
389  15  1  A  25  PHE  A  76  .  ?        1  
390  15  1  A  26  NH2  A  77  .  ?        ?  
391  16  1  A   1  ACE  A  52  .  ?        ?  
392  16  1  A   2  MET  A  53  .  ?        ?  
393  16  1  A   3  THR  A  54  .  ?        ?  
394  16  1  A   4  ARG  A  55  .  ?        ?  
395  16  1  A   5  SER  A  56  .  ?        ?  
396  16  1  A   6  ALA  A  57  .  ?        ?  
397  16  1  A   7  PHE  A  58  .  ?        ?  
398  16  1  A   8  ALA  A  59  .  ?        ?  
399  16  1  A   9  ASN  A  60  .  ?        ?  
400  16  1  A  10  LEU  A  61  .  ?        ?  
401  16  1  A  11  PRO  A  62  .  ?        ?  
402  16  1  A  12  LEU  A  63  .  ?        1  
403  16  1  A  13  TRP  A  64  .  ?        ?  
404  16  1  A  14  LYS  A  65  .  ?        ?  
405  16  1  A  15  GLN  A  66  .  ?        ?  
406  16  1  A  16  GLN  A  67  .  ?        2  
407  16  1  A  17  ALA  A  68  .  ?        ?  
408  16  1  A  18  LEU  A  69  .  ?        ?  
409  16  1  A  19  MET  A  70  .  ?        ?  
410  16  1  A  20  LYS  A  71  .  ?        1  
411  16  1  A  21  GLU  A  72  .  ?        ?  
412  16  1  A  22  LYS  A  73  .  ?        ?  
413  16  1  A  23  GLY  A  74  .  ?        ?  
414  16  1  A  24  LEU  A  75  .  ?        ?  
415  16  1  A  25  PHE  A  76  .  ?        2  
416  16  1  A  26  NH2  A  77  .  ?        ?  
417  17  1  A   1  ACE  A  52  .  ?        ?  
418  17  1  A   2  MET  A  53  .  ?        ?  
419  17  1  A   3  THR  A  54  .  ?        ?  
420  17  1  A   4  ARG  A  55  .  ?        ?  
421  17  1  A   5  SER  A  56  .  ?        ?  
422  17  1  A   6  ALA  A  57  .  ?        ?  
423  17  1  A   7  PHE  A  58  .  ?        ?  
424  17  1  A   8  ALA  A  59  .  ?        ?  
425  17  1  A   9  ASN  A  60  .  ?        ?  
426  17  1  A  10  LEU  A  61  .  ?        ?  
427  17  1  A  11  PRO  A  62  .  ?        ?  
428  17  1  A  12  LEU  A  63  .  ?        ?  
429  17  1  A  13  TRP  A  64  .  ?        ?  
430  17  1  A  14  LYS  A  65  .  ?        ?  
431  17  1  A  15  GLN  A  66  .  ?        ?  
432  17  1  A  16  GLN  A  67  .  ?        1  
433  17  1  A  17  ALA  A  68  .  ?        ?  
434  17  1  A  18  LEU  A  69  .  ?        ?  
435  17  1  A  19  MET  A  70  .  ?        ?  
436  17  1  A  20  LYS  A  71  .  ?        2  
437  17  1  A  21  GLU  A  72  .  ?        ?  
438  17  1  A  22  LYS  A  73  .  ?        ?  
439  17  1  A  23  GLY  A  74  .  ?        ?  
440  17  1  A  24  LEU  A  75  .  ?        ?  
441  17  1  A  25  PHE  A  76  .  ?        1  
442  17  1  A  26  NH2  A  77  .  ?        ?  
443  18  1  A   1  ACE  A  52  .  ?        ?  
444  18  1  A   2  MET  A  53  .  ?        1  
445  18  1  A   3  THR  A  54  .  ?        ?  
446  18  1  A   4  ARG  A  55  .  ?        ?  
447  18  1  A   5  SER  A  56  .  ?        ?  
448  18  1  A   6  ALA  A  57  .  ?        2  
449  18  1  A   7  PHE  A  58  .  ?        ?  
450  18  1  A   8  ALA  A  59  .  ?        ?  
451  18  1  A   9  ASN  A  60  .  ?        ?  
452  18  1  A  10  LEU  A  61  .  ?        1  
453  18  1  A  11  PRO  A  62  .  ?        ?  
454  18  1  A  12  LEU  A  63  .  ?        1  
455  18  1  A  13  TRP  A  64  .  ?        ?  
456  18  1  A  14  LYS  A  65  .  ?        ?  
457  18  1  A  15  GLN  A  66  .  ?        ?  
458  18  1  A  16  GLN  A  67  .  ?        1  
459  18  1  A  17  ALA  A  68  .  ?        ?  
460  18  1  A  18  LEU  A  69  .  ?        ?  
461  18  1  A  19  MET  A  70  .  ?        ?  
462  18  1  A  20  LYS  A  71  .  ?        ?  
463  18  1  A  21  GLU  A  72  .  ?        ?  
464  18  1  A  22  LYS  A  73  .  ?        2  
465  18  1  A  23  GLY  A  74  .  ?        ?  
466  18  1  A  24  LEU  A  75  .  ?        ?  
467  18  1  A  25  PHE  A  76  .  ?        ?  
468  18  1  A  26  NH2  A  77  .  ?        ?  
469  19  1  A   1  ACE  A  52  .  ?        ?  
470  19  1  A   2  MET  A  53  .  ?        1  
471  19  1  A   3  THR  A  54  .  ?        ?  
472  19  1  A   4  ARG  A  55  .  ?        ?  
473  19  1  A   5  SER  A  56  .  ?        ?  
474  19  1  A   6  ALA  A  57  .  ?        ?  
475  19  1  A   7  PHE  A  58  .  ?        ?  
476  19  1  A   8  ALA  A  59  .  ?        ?  
477  19  1  A   9  ASN  A  60  .  ?        ?  
478  19  1  A  10  LEU  A  61  .  ?        2  
479  19  1  A  11  PRO  A  62  .  ?        1  
480  19  1  A  12  LEU  A  63  .  ?        ?  
481  19  1  A  13  TRP  A  64  .  ?        1  
482  19  1  A  14  LYS  A  65  .  ?        2  
483  19  1  A  15  GLN  A  66  .  ?        1  
484  19  1  A  16  GLN  A  67  .  ?        ?  
485  19  1  A  17  ALA  A  68  .  ?        ?  
486  19  1  A  18  LEU  A  69  .  ?        ?  
487  19  1  A  19  MET  A  70  .  ?        ?  
488  19  1  A  20  LYS  A  71  .  ?        2  
489  19  1  A  21  GLU  A  72  .  ?        ?  
490  19  1  A  22  LYS  A  73  .  ?        ?  
491  19  1  A  23  GLY  A  74  .  ?        ?  
492  19  1  A  24  LEU  A  75  .  ?        ?  
493  19  1  A  25  PHE  A  76  .  ?        2  
494  19  1  A  26  NH2  A  77  .  ?        ?  
495  20  1  A   1  ACE  A  52  .  ?        ?  
496  20  1  A   2  MET  A  53  .  ?        ?  
497  20  1  A   3  THR  A  54  .  ?        ?  
498  20  1  A   4  ARG  A  55  .  ?        ?  
499  20  1  A   5  SER  A  56  .  ?        ?  
500  20  1  A   6  ALA  A  57  .  ?        ?  
501  20  1  A   7  PHE  A  58  .  ?        ?  
502  20  1  A   8  ALA  A  59  .  ?        ?  
503  20  1  A   9  ASN  A  60  .  ?        ?  
504  20  1  A  10  LEU  A  61  .  ?        ?  
505  20  1  A  11  PRO  A  62  .  ?        ?  
506  20  1  A  12  LEU  A  63  .  ?        ?  
507  20  1  A  13  TRP  A  64  .  ?        ?  
508  20  1  A  14  LYS  A  65  .  ?        ?  
509  20  1  A  15  GLN  A  66  .  ?        ?  
510  20  1  A  16  GLN  A  67  .  ?        2  
511  20  1  A  17  ALA  A  68  .  ?        ?  
512  20  1  A  18  LEU  A  69  .  ?        ?  
513  20  1  A  19  MET  A  70  .  ?        ?  
514  20  1  A  20  LYS  A  71  .  ?        1  
515  20  1  A  21  GLU  A  72  .  ?        ?  
516  20  1  A  22  LYS  A  73  .  ?        ?  
517  20  1  A  23  GLY  A  74  .  ?        ?  
518  20  1  A  24  LEU  A  75  .  ?        ?  
519  20  1  A  25  PHE  A  76  .  ?        1  
520  20  1  A  26  NH2  A  77  .  ?        ?  
#
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     1  1.24     2  0.09  molprobity     ?  False  
  2    2  ttt      -119.5   116.2  Favored     9     8  0.71    10  0.36  molprobity     ?  False  
  3    3  p         -85.7   163.4  Favored     7     7  0.88    10  0.51  molprobity     ?  False  
  4    4  ptm180    -65.4   -27.1  Favored    13    11  0.45    14  0.59  molprobity     ?  False  
  5    5  m         -73.3   -36.4  Favored     5     6  0.61     8  0.40  molprobity     ?  False  
  6    6  ?         -62.3   -39.5  Favored     5     5  0.48     7  0.75  molprobity     1  True   
  7    7  t80       -65.0   -41.1  Favored     9    12  0.59    16  0.57  molprobity     1  True   
  8    8  ?         -65.9   -12.3  Favored     5     5  0.49     7  0.27  molprobity     1  True   
  9    9  m-80      -97.8    -6.6  Favored     6     8  0.55    11  0.30  molprobity     1  True   
 10   10  mt        -79.5   152.5  Favored    11     8  0.80    12  0.69  molprobity     1  True   
 11   11  Cg_endo   -58.8   161.5  Favored     7     8  0.25    11  0.42  molprobity     1  True   
 12   12  tp        -57.7   -42.4  Favored    11     8  0.46    11  0.32  molprobity     1  True   
 13   13  p-90      -61.2   -32.9  Favored    10    16  0.57    23  0.38  molprobity     1  True   
 14   14  mttt      -72.0   -32.9  Favored    13     9  1.06    11  0.49  molprobity     1  True   
 15   15  mm-40     -65.3   -39.6  Favored     8     9  0.65    12  0.49  molprobity     1  True   
 16   16  mt-30     -73.1   -50.1  Favored     8     9  0.69    12  0.45  molprobity     1  True   
 17   17  ?         -61.8   -40.0  Favored     5     5  0.68     7  0.32  molprobity     1  True   
 18   18  mt        -78.0   -41.5  Favored    11     8  0.74    11  0.45  molprobity     1  True   
 19   19  mmt       -70.0   -22.2  Favored     9     8  0.63    10  0.68  molprobity     1  True   
 20   20  OUTLIER   -60.3   -33.8  Favored    13     9  0.70    11  0.82  molprobity     1  True   
 21   21  mm-40     -63.9   -37.8  Favored     6     9  0.40    12  0.56  molprobity     1  True   
 22   22  tttp      -84.0   -23.9  Favored    13     9  0.51    11  0.43  molprobity     1  True   
 23   23  ?         103.5    34.8  Favored     3     4  0.91     5  0.22  molprobity     1  True   
 24   24  mp        -87.7   -32.7  Favored    11     8  0.70    11  0.69  molprobity     ?  False  
 25   25  m-85     -116.9    86.6  Favored     9    11  0.46    13  0.31  molprobity     ?  False  
 26   26  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 27   27  ?             ?       ?  ?           3     1  0.89     2  0.07  molprobity     ?  False  
 28   28  ttm       -72.9   119.6  Favored     9     8  0.61    10  0.49  molprobity     ?  False  
 29   29  p         -78.6   179.4  Favored     7     7  0.77    10  0.48  molprobity     ?  False  
 30   30  ttp180    -73.7   -34.4  Favored    13    11  0.52    14  0.66  molprobity     ?  False  
 31   31  m         -67.0   -42.4  Favored     5     6  0.71     8  0.56  molprobity     ?  False  
 32   32  ?         -63.8   -35.9  Favored     5     5  0.48     7  0.58  molprobity     1  True   
 33   33  t80       -63.8   -44.7  Favored     9    12  0.60    16  0.43  molprobity     1  True   
 34   34  ?         -63.4   -23.8  Favored     5     5  0.45     7  0.32  molprobity     1  True   
 35   35  m-80      -92.0   -10.0  Favored     6     8  0.44    11  0.40  molprobity     1  True   
 36   36  mt        -63.9   155.9  Favored    11     8  0.84    12  0.73  molprobity     1  True   
 37   37  Cg_endo   -62.0   162.5  Favored     7     8  0.46    11  0.40  molprobity     1  True   
 38   38  tp        -58.4   -48.4  Favored    11     8  0.29    11  0.24  molprobity     1  True   
 39   39  p-90      -57.1   -32.8  Favored    10    16  0.52    23  0.32  molprobity     1  True   
 40   40  mttp      -72.0   -29.7  Favored    13     9  0.82    11  0.62  molprobity     1  True   
 41   41  mm-40     -68.8   -39.5  Favored     8     9  0.81    12  0.67  molprobity     1  True   
 42   42  mt-30     -72.3   -46.4  Favored     8     9  0.76    12  0.68  molprobity     1  True   
 43   43  ?         -66.9   -29.4  Favored     5     5  0.59     7  0.30  molprobity     1  True   
 44   44  mt        -86.8   -45.8  Favored    11     8  1.03    11  0.46  molprobity     1  True   
 45   45  mmt       -68.0   -16.7  Favored     9     8  0.75    10  0.93  molprobity     1  True   
 46   46  tttp      -54.3   -44.2  Favored    13     9  0.33    11  0.66  molprobity     1  True   
 47   47  pt-20     -69.6   -23.9  Favored     6     9  1.04    12  0.54  molprobity     1  True   
 48   48  mttp     -103.3    12.9  Favored    13     9  0.49    11  0.54  molprobity     1  True   
 49   49  ?          74.7    24.8  Favored     3     4  0.64     5  0.64  molprobity     1  True   
 50   50  mp        -90.2   -35.2  Favored    11     8  0.68    11  0.80  molprobity     ?  False  
 51   51  m-85     -115.3    94.7  Favored     9    11  0.47    13  0.39  molprobity     ?  False  
 52   52  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 53   53  ?             ?       ?  ?           3     1  0.92     2  0.11  molprobity     ?  False  
 54   54  ttm      -152.0   113.6  Favored     9     8  0.84    10  0.46  molprobity     ?  False  
 55   55  p         -95.0  -178.7  Favored     7     7  0.83    10  0.59  molprobity     ?  False  
 56   56  mpt_?     -75.7   -12.3  Favored    13    11  0.65    14  0.80  molprobity     ?  False  
 57   57  p         -81.8   -42.9  Favored     5     6  1.28     8  0.70  molprobity     ?  False  
 58   58  ?         -61.5   -37.2  Favored     5     5  0.44     7  1.04  molprobity     1  True   
 59   59  t80       -61.7   -43.4  Favored     9    12  0.66    16  0.51  molprobity     1  True   
 60   60  ?         -68.2   -12.3  Favored     5     5  0.44     7  0.27  molprobity     1  True   
 61   61  m-80      -94.2   -11.7  Favored     6     8  0.52    11  0.27  molprobity     1  True   
 62   62  mt        -75.2   154.8  Favored    11     8  0.73    12  0.66  molprobity     1  True   
 63   63  Cg_endo   -61.2   163.0  Favored     7     8  0.35    11  0.46  molprobity     1  True   
 64   64  tp        -59.2   -43.1  Favored    11     8  0.29    11  0.27  molprobity     1  True   
 65   65  p-90      -60.4   -33.1  Favored    10    16  0.43    23  0.31  molprobity     1  True   
 66   66  mttp      -71.7   -31.7  Favored    13     9  0.74    11  0.52  molprobity     1  True   
 67   67  mm-40     -63.9   -42.6  Favored     8     9  0.65    12  0.54  molprobity     1  True   
 68   68  mt-30     -70.4   -42.3  Favored     8     9  0.69    12  0.46  molprobity     1  True   
 69   69  ?         -63.8   -38.5  Favored     5     5  0.65     7  0.30  molprobity     1  True   
 70   70  mt        -82.9   -44.6  Favored    11     8  0.62    11  0.43  molprobity     1  True   
 71   71  mmt       -64.8   -25.2  Favored     9     8  0.61    10  0.79  molprobity     1  True   
 72   72  ttpp      -57.4   -37.2  Favored    13     9  0.43    11  0.57  molprobity     1  True   
 73   73  mm-40     -76.2   -38.3  Favored     6     9  0.63    12  0.55  molprobity     1  True   
 74   74  tttm      -74.6   -23.6  Favored    13     9  0.42    11  0.58  molprobity     1  True   
 75   75  ?         107.5    32.1  Favored     3     4  0.87     5  0.29  molprobity     1  True   
 76   76  mp        -96.9   -59.9  Allowed    11     8  0.48    11  0.65  molprobity     ?  False  
 77   77  p90      -151.7    95.0  Favored     9    11  0.58    13  0.62  molprobity     ?  False  
 78   78  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 79   79  ?             ?       ?  ?           3     1  0.97     2  0.10  molprobity     ?  False  
 80   80  ttm       -86.6   108.4  Favored     9     8  0.92    10  0.60  molprobity     ?  False  
 81   81  p         -92.6  -179.0  Favored     7     7  1.00    10  0.62  molprobity     ?  False  
 82   82  ttt180    -61.7   -34.6  Favored    13    11  0.40    14  0.69  molprobity     ?  False  
 83   83  t         -61.2   -53.3  Favored     5     6  0.42     8  0.25  molprobity     ?  False  
 84   84  ?         -59.2   -42.2  Favored     5     5  0.53     7  0.65  molprobity     1  True   
 85   85  t80       -61.4   -44.4  Favored     9    12  0.60    16  0.46  molprobity     1  True   
 86   86  ?         -64.1   -25.7  Favored     5     5  0.44     7  0.29  molprobity     1  True   
 87   87  m-80      -82.4   -11.5  Favored     6     8  0.52    11  0.36  molprobity     1  True   
 88   88  mt        -74.2   151.4  Favored    11     8  0.68    12  0.66  molprobity     1  True   
 89   89  Cg_endo   -61.9   161.1  Favored     7     8  0.35    11  0.60  molprobity     1  True   
 90   90  tp        -55.6   -44.5  Favored    11     8  0.36    11  0.33  molprobity     1  True   
 91   91  p-90      -59.6   -34.2  Favored    10    16  0.50    23  0.37  molprobity     1  True   
 92   92  mmtt      -74.4   -27.4  Favored    13     9  0.97    11  0.33  molprobity     1  True   
 93   93  mm-40     -68.8   -42.0  Favored     8     9  0.78    12  0.56  molprobity     1  True   
 94   94  mt-30     -68.4   -44.2  Favored     8     9  0.51    12  0.56  molprobity     1  True   
 95   95  ?         -64.1   -33.7  Favored     5     5  0.59     7  0.24  molprobity     1  True   
 96   96  mt        -87.2   -49.4  Favored    11     8  0.54    11  0.31  molprobity     1  True   
 97   97  mmt       -65.7   -22.5  Favored     9     8  0.69    10  0.77  molprobity     1  True   
 98   98  pttm      -64.1   -28.4  Favored    13     9  0.34    11  0.74  molprobity     1  True   
 99   99  mm-40     -76.8   -16.9  Favored     6     9  0.58    12  0.59  molprobity     1  True   
100  100  mmtp      -99.7    -5.7  Favored    13     9  0.28    11  0.41  molprobity     1  True   
101  101  ?         101.5    -7.1  Favored     3     4  0.44     5  0.31  molprobity     1  True   
102  102  mp        -65.7   -39.4  Favored    11     8  0.57    11  0.67  molprobity     ?  False  
103  103  m-85     -107.8    97.0  Favored     9    11  0.41    13  0.32  molprobity     ?  False  
104  104  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
105  105  ?             ?       ?  ?           3     1  0.94     2  0.07  molprobity     ?  False  
106  106  ttm      -136.8   133.3  Favored     9     8  0.85    10  0.50  molprobity     ?  False  
107  107  p        -108.0   171.7  Favored     7     7  0.89    10  0.66  molprobity     ?  False  
108  108  mmt180    -62.1   -31.1  Favored    13    11  0.52    14  1.10  molprobity     ?  False  
109  109  m         -62.1   -51.8  Favored     5     6  0.52     8  0.63  molprobity     ?  False  
110  110  ?         -61.4   -37.8  Favored     5     5  0.39     7  0.58  molprobity     1  True   
111  111  t80       -63.0   -42.5  Favored     9    12  0.57    16  0.48  molprobity     1  True   
112  112  ?         -65.1   -18.0  Favored     5     5  0.48     7  0.38  molprobity     1  True   
113  113  m-80      -92.5    -4.7  Favored     6     8  0.55    11  0.33  molprobity     1  True   
114  114  mt        -74.7   155.3  Favored    11     8  0.60    12  0.65  molprobity     1  True   
115  115  Cg_endo   -64.7   159.0  Favored     7     8  0.32    11  0.43  molprobity     1  True   
116  116  tp        -55.1   -41.5  Favored    11     8  0.52    11  0.35  molprobity     1  True   
117  117  p-90      -61.1   -36.5  Favored    10    16  0.49    23  0.41  molprobity     1  True   
118  118  mttt      -69.3   -33.2  Favored    13     9  0.96    11  0.58  molprobity     1  True   
119  119  mm-40     -64.3   -42.4  Favored     8     9  0.85    12  0.56  molprobity     1  True   
120  120  mt-30     -77.3   -43.0  Favored     8     9  0.97    12  0.46  molprobity     1  True   
121  121  ?         -62.4   -39.8  Favored     5     5  0.82     7  0.28  molprobity     1  True   
122  122  mt        -80.0   -46.2  Favored    11     8  0.67    11  0.40  molprobity     1  True   
123  123  mmt       -67.5   -28.1  Favored     9     8  0.58    10  0.79  molprobity     1  True   
124  124  OUTLIER   -69.8   -32.1  Favored    13     9  0.75    11  1.15  molprobity     1  True   
125  125  mm-40     -67.0   -31.1  Favored     6     9  0.91    12  0.58  molprobity     1  True   
126  126  tttp      -80.6   -20.2  Favored    13     9  0.64    11  0.49  molprobity     1  True   
127  127  ?         107.9    13.0  Favored     3     4  0.71     5  0.28  molprobity     1  True   
128  128  mp        -73.7   -56.5  Favored    11     8  0.57    11  0.67  molprobity     ?  False  
129  129  m-85      -85.7   -88.9  Allowed     9    11  0.45    13  0.29  molprobity     ?  False  
130  130  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
131  131  ?             ?       ?  ?           3     1  1.14     2  0.25  molprobity     ?  False  
132  132  tpt      -149.4   131.6  Favored     9     8  0.76    10  0.49  molprobity     ?  False  
133  133  p        -118.2   170.2  Favored     7     7  0.82    10  0.47  molprobity     ?  False  
134  134  tpt180    -75.7   -31.3  Favored    13    11  0.64    14  0.68  molprobity     ?  False  
135  135  m         -63.3   -43.6  Favored     5     6  0.63     8  0.30  molprobity     ?  False  
136  136  ?         -61.5   -40.5  Favored     5     5  0.36     7  0.50  molprobity     1  True   
137  137  t80       -59.2   -44.5  Favored     9    12  0.54    16  0.34  molprobity     1  True   
138  138  ?         -67.9   -10.2  Favored     5     5  0.52     7  0.35  molprobity     1  True   
139  139  m-80     -105.1    -2.6  Favored     6     8  0.47    11  0.42  molprobity     1  True   
140  140  mt        -77.2   151.9  Favored    11     8  0.52    12  0.63  molprobity     1  True   
141  141  Cg_endo   -60.2   161.8  Favored     7     8  0.35    11  0.40  molprobity     1  True   
142  142  tp        -58.3   -42.8  Favored    11     8  0.37    11  0.23  molprobity     1  True   
143  143  p-90      -61.1   -34.5  Favored    10    16  0.37    23  0.38  molprobity     1  True   
144  144  mttt      -72.1   -32.3  Favored    13     9  0.96    11  0.53  molprobity     1  True   
145  145  mm-40     -64.9   -42.7  Favored     8     9  0.65    12  0.48  molprobity     1  True   
146  146  mt-30     -72.2   -42.3  Favored     8     9  0.80    12  0.44  molprobity     1  True   
147  147  ?         -65.0   -36.7  Favored     5     5  0.74     7  0.36  molprobity     1  True   
148  148  mt        -82.6   -44.2  Favored    11     8  0.59    11  0.38  molprobity     1  True   
149  149  mmt       -66.8   -21.8  Favored     9     8  0.68    10  0.62  molprobity     1  True   
150  150  tttp      -54.8   -40.3  Favored    13     9  0.30    11  0.41  molprobity     1  True   
151  151  mt-10     -78.3    -5.0  Favored     6     9  0.56    12  0.46  molprobity     1  True   
152  152  mmpt?    -106.3    -0.7  Favored    13     9  0.48    11  0.59  molprobity     1  True   
153  153  ?          93.2     5.0  Favored     3     4  0.36     5  0.46  molprobity     1  True   
154  154  mp        -77.8   -36.5  Favored    11     8  0.74    11  0.70  molprobity     ?  False  
155  155  m-85     -116.0    93.8  Favored     9    11  0.56    13  0.33  molprobity     ?  False  
156  156  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
157  157  ?             ?       ?  ?           3     1  1.09     2  0.12  molprobity     ?  False  
158  158  tpp      -111.4   105.9  Favored     9     8  0.68    10  0.58  molprobity     ?  False  
159  159  p        -116.1  -177.1  Favored     7     7  0.45    10  0.69  molprobity     ?  False  
160  160  ttm180    -65.1   -31.9  Favored    13    11  0.45    14  0.83  molprobity     ?  False  
161  161  m         -58.6   -54.2  Favored     5     6  0.37     8  0.36  molprobity     ?  False  
162  162  ?         -62.9   -45.6  Favored     5     5  0.32     7  0.71  molprobity     1  True   
163  163  t80       -54.6   -44.6  Favored     9    12  0.55    16  0.45  molprobity     1  True   
164  164  ?         -64.0   -23.1  Favored     5     5  0.37     7  0.28  molprobity     1  True   
165  165  m-80      -89.6   -12.4  Favored     6     8  0.61    11  0.32  molprobity     1  True   
166  166  mt        -71.2   155.1  Favored    11     8  0.73    12  0.65  molprobity     1  True   
167  167  Cg_endo   -62.6   162.2  Favored     7     8  0.40    11  0.33  molprobity     1  True   
168  168  tp        -59.2   -44.0  Favored    11     8  0.41    11  0.27  molprobity     1  True   
169  169  p-90      -59.8   -33.8  Favored    10    16  0.48    23  0.32  molprobity     1  True   
170  170  mttp      -70.3   -33.1  Favored    13     9  0.75    11  0.66  molprobity     1  True   
171  171  mm-40     -63.5   -44.5  Favored     8     9  0.71    12  0.55  molprobity     1  True   
172  172  mt-30     -72.0   -37.0  Favored     8     9  0.86    12  0.39  molprobity     1  True   
173  173  ?         -68.5   -38.3  Favored     5     5  0.57     7  0.29  molprobity     1  True   
174  174  mt        -80.2   -45.4  Favored    11     8  0.75    11  0.53  molprobity     1  True   
175  175  mmt       -64.2   -25.6  Favored     9     8  0.55    10  0.71  molprobity     1  True   
176  176  ttmp?     -63.5   -40.4  Favored    13     9  0.51    11  0.44  molprobity     1  True   
177  177  mt-10     -61.8   -43.6  Favored     6     9  0.40    12  0.93  molprobity     1  True   
178  178  mmtm      -73.5   -19.5  Favored    13     9  0.55    11  0.50  molprobity     1  True   
179  179  ?         104.3    18.6  Favored     3     4  0.73     5  0.24  molprobity     1  True   
180  180  mp        -84.8   -35.3  Favored    11     8  0.59    11  0.62  molprobity     ?  False  
181  181  m-85     -107.9   105.5  Favored     9    11  0.45    13  0.41  molprobity     ?  False  
182  182  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
183  183  ?             ?       ?  ?           3     1  1.34     2  0.10  molprobity     ?  False  
184  184  ptm      -134.0   154.3  Favored     9     8  0.82    10  0.36  molprobity     ?  False  
185  185  p         -90.6   171.8  Favored     7     7  0.79    10  0.48  molprobity     ?  False  
186  186  ttt180    -78.8   -22.4  Favored    13    11  0.55    14  1.07  molprobity     ?  False  
187  187  m         -63.5   -47.2  Favored     5     6  0.63     8  0.69  molprobity     ?  False  
188  188  ?         -61.0   -39.3  Favored     5     5  0.52     7  0.55  molprobity     1  True   
189  189  t80       -57.0   -42.8  Favored     9    12  0.55    16  0.35  molprobity     1  True   
190  190  ?         -66.7   -16.4  Favored     5     5  0.46     7  0.32  molprobity     1  True   
191  191  m-80      -93.9    -3.7  Favored     6     8  0.42    11  0.26  molprobity     1  True   
192  192  mt        -82.6   154.6  Favored    11     8  0.62    12  0.65  molprobity     1  True   
193  193  Cg_endo   -61.9   158.7  Favored     7     8  0.24    11  0.57  molprobity     1  True   
194  194  tp        -51.5   -46.5  Favored    11     8  0.31    11  0.34  molprobity     1  True   
195  195  p-90      -60.3   -33.9  Favored    10    16  0.47    23  0.38  molprobity     1  True   
196  196  mttt      -71.7   -32.2  Favored    13     9  0.87    11  0.51  molprobity     1  True   
197  197  mm-40     -66.4   -40.0  Favored     8     9  0.75    12  0.53  molprobity     1  True   
198  198  mt-30     -73.0   -47.0  Favored     8     9  0.72    12  0.52  molprobity     1  True   
199  199  ?         -59.2   -43.0  Favored     5     5  0.57     7  0.42  molprobity     1  True   
200  200  mt        -79.3   -43.9  Favored    11     8  0.74    11  0.35  molprobity     1  True   
201  201  mmt       -68.2   -27.8  Favored     9     8  0.69    10  0.71  molprobity     1  True   
202  202  tttt      -62.7   -42.2  Favored    13     9  0.23    11  0.46  molprobity     1  True   
203  203  mt-10     -67.0   -22.2  Favored     6     9  0.49    12  0.62  molprobity     1  True   
204  204  mmtm      -88.8   -14.4  Favored    13     9  0.52    11  0.48  molprobity     1  True   
205  205  ?          96.6    25.2  Favored     3     4  0.68     5  0.15  molprobity     1  True   
206  206  mp        -92.6   -55.8  Favored    11     8  0.49    11  0.59  molprobity     ?  False  
207  207  m-85      -87.2    83.2  Favored     9    11  0.26    13  0.33  molprobity     ?  False  
208  208  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
209  209  ?             ?       ?  ?           3     1  1.08     2  0.08  molprobity     ?  False  
210  210  OUTLIER   -95.0   119.5  Favored     9     8  0.86    10  0.80  molprobity     ?  False  
211  211  p        -121.7  -176.8  Favored     7     7  0.69    10  0.56  molprobity     ?  False  
212  212  OUTLIER   -73.0   -28.9  Favored    13    11  0.75    14  0.70  molprobity     ?  False  
213  213  m         -68.3   -44.5  Favored     5     6  0.67     8  0.38  molprobity     ?  False  
214  214  ?         -64.0   -35.8  Favored     5     5  0.43     7  0.52  molprobity     1  True   
215  215  t80       -58.3   -40.3  Favored     9    12  0.57    16  0.48  molprobity     1  True   
216  216  ?         -71.0   -11.2  Favored     5     5  0.34     7  0.45  molprobity     1  True   
217  217  m-80     -100.2     1.5  Favored     6     8  0.51    11  0.39  molprobity     1  True   
218  218  mt        -89.3   150.3  Favored    11     8  0.68    12  0.68  molprobity     1  True   
219  219  Cg_endo   -61.1   164.4  Favored     7     8  0.34    11  0.42  molprobity     1  True   
220  220  tp        -59.2   -44.4  Favored    11     8  0.41    11  0.24  molprobity     1  True   
221  221  p-90      -60.3   -32.7  Favored    10    16  0.42    23  0.35  molprobity     1  True   
222  222  mttt      -71.6   -34.3  Favored    13     9  1.04    11  0.59  molprobity     1  True   
223  223  mm-40     -63.9   -43.1  Favored     8     9  0.76    12  0.56  molprobity     1  True   
224  224  mt-30     -69.4   -46.0  Favored     8     9  0.77    12  0.50  molprobity     1  True   
225  225  ?         -60.0   -42.9  Favored     5     5  0.79     7  0.41  molprobity     1  True   
226  226  mt        -81.1   -45.6  Favored    11     8  0.62    11  0.43  molprobity     1  True   
227  227  mmt       -66.8   -22.1  Favored     9     8  0.64    10  0.57  molprobity     1  True   
228  228  ttpm?     -58.1   -40.2  Favored    13     9  0.50    11  0.51  molprobity     1  True   
229  229  mt-10     -85.5    -3.4  Favored     6     9  0.62    12  0.54  molprobity     1  True   
230  230  tppt?     -95.8   -23.6  Favored    13     9  0.74    11  0.50  molprobity     1  True   
231  231  ?         117.7    -0.7  Favored     3     4  0.50     5  0.25  molprobity     1  True   
232  232  mp        -81.0   -53.5  Favored    11     8  0.55    11  0.54  molprobity     ?  False  
233  233  m-85      -93.0   103.2  Favored     9    11  0.44    13  0.34  molprobity     ?  False  
234  234  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
235  235  ?             ?       ?  ?           3     1  0.98     2  0.14  molprobity     ?  False  
236  236  ptm      -148.5   152.2  Favored     9     8  0.66    10  0.26  molprobity     ?  False  
237  237  p         -88.4   173.2  Favored     7     7  0.67    10  0.56  molprobity     ?  False  
238  238  OUTLIER   -69.8   -18.2  Favored    13    11  0.72    14  1.05  molprobity     ?  False  
239  239  m         -71.5   -42.6  Favored     5     6  0.73     8  0.68  molprobity     ?  False  
240  240  ?         -69.3   -37.7  Favored     5     5  0.37     7  0.75  molprobity     1  True   
241  241  t80       -57.4   -41.8  Favored     9    12  0.50    16  0.43  molprobity     1  True   
242  242  ?         -67.2    -9.8  Favored     5     5  0.51     7  0.32  molprobity     1  True   
243  243  m-80     -100.3    -4.5  Favored     6     8  0.49    11  0.32  molprobity     1  True   
244  244  mt        -83.7   154.8  Favored    11     8  0.72    12  0.71  molprobity     1  True   
245  245  Cg_endo   -62.7   164.6  Favored     7     8  0.36    11  0.46  molprobity     1  True   
246  246  tp        -55.7   -47.0  Favored    11     8  0.46    11  0.30  molprobity     1  True   
247  247  p-90      -58.3   -33.8  Favored    10    16  0.38    23  0.35  molprobity     1  True   
248  248  mmtt      -74.4   -28.7  Favored    13     9  0.93    11  0.38  molprobity     1  True   
249  249  mm-40     -67.5   -43.1  Favored     8     9  0.56    12  0.61  molprobity     1  True   
250  250  mt-30     -67.1   -48.5  Favored     8     9  0.78    12  0.58  molprobity     1  True   
251  251  ?         -60.4   -40.2  Favored     5     5  0.74     7  0.34  molprobity     1  True   
252  252  mt        -80.4   -43.1  Favored    11     8  0.91    11  0.39  molprobity     1  True   
253  253  mmt       -65.8   -27.4  Favored     9     8  0.55    10  0.77  molprobity     1  True   
254  254  ttpt      -61.2   -51.0  Favored    13     9  0.39    11  0.35  molprobity     1  True   
255  255  pt-20     -73.6   -11.8  Favored     6     9  0.62    12  0.69  molprobity     1  True   
256  256  mttm     -100.8     6.0  Favored    13     9  0.33    11  0.53  molprobity     1  True   
257  257  ?          90.4    11.8  Favored     3     4  0.67     5  0.60  molprobity     1  True   
258  258  mp        -90.3   -42.9  Favored    11     8  0.45    11  0.60  molprobity     ?  False  
259  259  m-85      -97.9   -95.0  Allowed     9    11  0.33    13  0.42  molprobity     ?  False  
260  260  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
261  261  ?             ?       ?  ?           3     1  0.91     2  0.15  molprobity     ?  False  
262  262  ttm      -140.5   114.7  Favored     9     8  0.84    10  0.51  molprobity     ?  False  
263  263  p        -101.6  -179.2  Favored     7     7  0.89    10  0.67  molprobity     ?  False  
264  264  ppt_?     -68.9   -19.4  Favored    13    11  0.47    14  0.80  molprobity     ?  False  
265  265  m         -78.1   -39.1  Favored     5     6  0.70     8  0.66  molprobity     ?  False  
266  266  ?         -64.0   -36.8  Favored     5     5  0.31     7  0.76  molprobity     1  True   
267  267  t80       -56.5   -41.1  Favored     9    12  0.70    16  0.36  molprobity     1  True   
268  268  ?         -67.2   -18.0  Favored     5     5  0.48     7  0.36  molprobity     1  True   
269  269  m-80      -95.7    -4.5  Favored     6     8  0.43    11  0.28  molprobity     1  True   
270  270  mt        -72.7   155.2  Favored    11     8  0.49    12  0.65  molprobity     1  True   
271  271  Cg_endo   -60.1   156.6  Favored     7     8  0.42    11  0.51  molprobity     1  True   
272  272  tp        -53.1   -45.5  Favored    11     8  0.26    11  0.31  molprobity     1  True   
273  273  p-90      -59.9   -34.7  Favored    10    16  0.57    23  0.40  molprobity     1  True   
274  274  OUTLIER   -74.0   -29.6  Favored    13     9  0.93    11  0.47  molprobity     1  True   
275  275  mm-40     -66.4   -44.4  Favored     8     9  0.65    12  0.53  molprobity     1  True   
276  276  mt-30     -68.9   -44.4  Favored     8     9  0.74    12  0.52  molprobity     1  True   
277  277  ?         -65.5   -38.5  Favored     5     5  0.54     7  0.29  molprobity     1  True   
278  278  mt        -79.7   -45.1  Favored    11     8  0.71    11  0.39  molprobity     1  True   
279  279  mmt       -69.1   -23.0  Favored     9     8  0.89    10  0.68  molprobity     1  True   
280  280  tttt      -63.4   -35.9  Favored    13     9  0.18    11  0.29  molprobity     1  True   
281  281  mt-10     -67.0   -29.8  Favored     6     9  0.40    12  0.74  molprobity     1  True   
282  282  mmtp      -97.5     4.5  Favored    13     9  0.33    11  0.27  molprobity     1  True   
283  283  ?          77.5    23.2  Favored     3     4  0.58     5  0.56  molprobity     1  True   
284  284  mp        -85.4   -44.7  Favored    11     8  0.44    11  0.63  molprobity     ?  False  
285  285  m-85      -93.0    93.6  Favored     9    11  0.44    13  0.42  molprobity     ?  False  
286  286  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
287  287  ?             ?       ?  ?           3     1  0.82     2  0.10  molprobity     ?  False  
288  288  ttm      -149.1   117.4  Favored     9     8  0.71    10  0.40  molprobity     ?  False  
289  289  p         -94.6  -173.8  Favored     7     7  0.72    10  0.58  molprobity     ?  False  
290  290  mtp85     -72.2   -28.2  Favored    13    11  0.46    14  0.61  molprobity     ?  False  
291  291  m         -74.4   -42.4  Favored     5     6  0.68     8  0.49  molprobity     ?  False  
292  292  ?         -63.4   -38.6  Favored     5     5  0.34     7  0.70  molprobity     1  True   
293  293  t80       -60.8   -43.4  Favored     9    12  0.63    16  0.35  molprobity     1  True   
294  294  ?         -63.6   -14.8  Favored     5     5  0.61     7  0.32  molprobity     1  True   
295  295  m-80      -92.0   -14.5  Favored     6     8  0.43    11  0.31  molprobity     1  True   
296  296  mt        -68.7   155.9  Favored    11     8  0.61    12  0.64  molprobity     1  True   
297  297  Cg_endo   -63.5   159.5  Favored     7     8  0.24    11  0.38  molprobity     1  True   
298  298  tp        -55.5   -41.4  Favored    11     8  0.63    11  0.36  molprobity     1  True   
299  299  p-90      -60.7   -36.0  Favored    10    16  0.41    23  0.41  molprobity     1  True   
300  300  mttt      -71.6   -33.0  Favored    13     9  0.86    11  0.60  molprobity     1  True   
301  301  mm-40     -64.4   -39.6  Favored     8     9  0.74    12  0.52  molprobity     1  True   
302  302  mt-30     -78.0   -45.4  Favored     8     9  1.09    12  0.40  molprobity     1  True   
303  303  ?         -66.6   -26.9  Favored     5     5  0.64     7  0.38  molprobity     1  True   
304  304  mt        -88.3   -43.4  Favored    11     8  0.66    11  0.50  molprobity     1  True   
305  305  mmt       -65.7   -23.9  Favored     9     8  1.23    10  1.08  molprobity     1  True   
306  306  tttt      -52.5   -52.7  Favored    13     9  0.48    11  1.16  molprobity     1  True   
307  307  mm-40     -72.2   -21.8  Favored     6     9  0.67    12  0.66  molprobity     1  True   
308  308  tttt      -81.2   -18.7  Favored    13     9  0.43    11  0.40  molprobity     1  True   
309  309  ?         115.0     0.4  Favored     3     4  0.59     5  0.21  molprobity     1  True   
310  310  mp        -80.7   -48.6  Favored    11     8  0.62    11  0.59  molprobity     ?  False  
311  311  m-85     -106.9    81.0  Allowed     9    11  0.44    13  0.27  molprobity     ?  False  
312  312  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
313  313  ?             ?       ?  ?           3     1  0.91     2  0.16  molprobity     ?  False  
314  314  tpt       -84.6    99.4  Favored     9     8  0.85    10  0.55  molprobity     ?  False  
315  315  p        -108.7  -176.6  Favored     7     7  0.69    10  0.62  molprobity     ?  False  
316  316  mtp-105   -69.2   -28.9  Favored    13    11  0.69    14  0.81  molprobity     ?  False  
317  317  m         -65.1   -47.2  Favored     5     6  0.76     8  0.63  molprobity     ?  False  
318  318  ?         -62.7   -40.7  Favored     5     5  0.30     7  0.70  molprobity     1  True   
319  319  t80       -56.1   -43.1  Favored     9    12  0.48    16  0.43  molprobity     1  True   
320  320  ?         -66.3   -16.4  Favored     5     5  0.44     7  0.31  molprobity     1  True   
321  321  m-80     -103.3     3.8  Favored     6     8  0.48    11  0.33  molprobity     1  True   
322  322  mt        -79.5   154.7  Favored    11     8  0.63    12  0.71  molprobity     1  True   
323  323  Cg_endo   -61.8   163.4  Favored     7     8  0.43    11  0.41  molprobity     1  True   
324  324  tp        -57.4   -45.4  Favored    11     8  0.39    11  0.24  molprobity     1  True   
325  325  p-90      -60.6   -31.7  Favored    10    16  0.40    23  0.36  molprobity     1  True   
326  326  mmtp      -76.0   -29.5  Favored    13     9  0.83    11  0.33  molprobity     1  True   
327  327  mm-40     -68.0   -40.9  Favored     8     9  0.85    12  0.52  molprobity     1  True   
328  328  mt-30     -70.5   -44.8  Favored     8     9  0.78    12  0.41  molprobity     1  True   
329  329  ?         -60.2   -35.5  Favored     5     5  0.67     7  0.35  molprobity     1  True   
330  330  mt        -86.9   -45.7  Favored    11     8  0.80    11  0.35  molprobity     1  True   
331  331  mmt       -70.6   -30.3  Favored     9     8  0.84    10  0.74  molprobity     1  True   
332  332  tttt      -65.4   -34.5  Favored    13     9  0.26    11  0.46  molprobity     1  True   
333  333  pt-20     -72.2   -20.6  Favored     6     9  0.68    12  0.58  molprobity     1  True   
334  334  mmmt      -99.9    -6.6  Favored    13     9  0.49    11  0.34  molprobity     1  True   
335  335  ?          89.2    33.4  Favored     3     4  0.55     5  0.33  molprobity     1  True   
336  336  mp        -96.4   -63.0  Allowed    11     8  0.46    11  0.60  molprobity     ?  False  
337  337  p90      -157.2   116.2  Favored     9    11  0.64    13  0.68  molprobity     ?  False  
338  338  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
339  339  ?             ?       ?  ?           3     1  1.13     2  0.41  molprobity     ?  False  
340  340  ttm      -105.6    99.9  Favored     9     8  0.79    10  0.68  molprobity     ?  False  
341  341  p        -101.4  -177.9  Favored     7     7  0.72    10  0.70  molprobity     ?  False  
342  342  mtt180    -63.6   -27.1  Favored    13    11  0.55    14  0.92  molprobity     ?  False  
343  343  m         -70.8   -45.4  Favored     5     6  0.62     8  0.49  molprobity     ?  False  
344  344  ?         -64.2   -37.9  Favored     5     5  0.31     7  0.52  molprobity     1  True   
345  345  t80       -56.7   -41.8  Favored     9    12  0.61    16  0.44  molprobity     1  True   
346  346  ?         -69.1   -16.8  Favored     5     5  0.48     7  0.28  molprobity     1  True   
347  347  m-80      -98.5    -8.7  Favored     6     8  0.56    11  0.24  molprobity     1  True   
348  348  mt        -70.3   153.4  Favored    11     8  0.66    12  0.63  molprobity     1  True   
349  349  Cg_endo   -62.8   158.9  Favored     7     8  0.38    11  0.44  molprobity     1  True   
350  350  tp        -54.6   -42.8  Favored    11     8  0.42    11  0.30  molprobity     1  True   
351  351  p-90      -61.8   -32.3  Favored    10    16  0.49    23  0.35  molprobity     1  True   
352  352  mmtp      -74.4   -27.6  Favored    13     9  0.77    11  0.43  molprobity     1  True   
353  353  mm-40     -67.7   -42.5  Favored     8     9  0.68    12  0.70  molprobity     1  True   
354  354  mt-30     -69.4   -46.3  Favored     8     9  0.72    12  0.48  molprobity     1  True   
355  355  ?         -61.8   -34.8  Favored     5     5  0.48     7  0.29  molprobity     1  True   
356  356  mt        -83.2   -51.1  Favored    11     8  0.70    11  0.24  molprobity     1  True   
357  357  mmt       -64.1   -18.9  Favored     9     8  0.68    10  0.80  molprobity     1  True   
358  358  OUTLIER   -55.5   -32.6  Favored    13     9  0.61    11  0.78  molprobity     1  True   
359  359  pt-20     -64.5   -26.4  Favored     6     9  0.57    12  0.64  molprobity     1  True   
360  360  mttt     -100.3     1.5  Favored    13     9  0.46    11  0.31  molprobity     1  True   
361  361  ?          84.4    19.9  Favored     3     4  0.63     5  0.44  molprobity     1  True   
362  362  mp        -75.3   -38.2  Favored    11     8  0.68    11  0.85  molprobity     ?  False  
363  363  m-85     -118.2   132.5  Favored     9    11  0.56    13  0.42  molprobity     ?  False  
364  364  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
365  365  ?             ?       ?  ?           3     1  0.94     2  0.09  molprobity     ?  False  
366  366  ptm      -140.5   149.1  Favored     9     8  0.81    10  0.43  molprobity     ?  False  
367  367  p         -86.3   175.9  Favored     7     7  0.95    10  0.56  molprobity     ?  False  
368  368  mmt180    -81.2   -23.6  Favored    13    11  0.74    14  0.63  molprobity     ?  False  
369  369  m         -66.2   -38.4  Favored     5     6  0.37     8  0.31  molprobity     ?  False  
370  370  ?         -62.1   -38.1  Favored     5     5  0.47     7  0.52  molprobity     1  True   
371  371  t80       -59.8   -43.7  Favored     9    12  0.56    16  0.42  molprobity     1  True   
372  372  ?         -68.4   -12.8  Favored     5     5  0.44     7  0.35  molprobity     1  True   
373  373  m-80      -99.4     0.3  Favored     6     8  0.60    11  0.36  molprobity     1  True   
374  374  mt        -82.6   153.8  Favored    11     8  0.65    12  0.62  molprobity     1  True   
375  375  Cg_endo   -62.8   159.5  Favored     7     8  0.39    11  0.42  molprobity     1  True   
376  376  tp        -53.0   -42.8  Favored    11     8  0.44    11  0.31  molprobity     1  True   
377  377  p-90      -62.4   -33.1  Favored    10    16  0.49    23  0.39  molprobity     1  True   
378  378  mttt      -73.9   -32.6  Favored    13     9  0.95    11  0.55  molprobity     1  True   
379  379  mm-40     -64.0   -41.0  Favored     8     9  0.75    12  0.48  molprobity     1  True   
380  380  mt-30     -74.1   -43.4  Favored     8     9  0.95    12  0.37  molprobity     1  True   
381  381  ?         -65.3   -32.2  Favored     5     5  0.47     7  0.31  molprobity     1  True   
382  382  mt        -86.5   -46.2  Favored    11     8  0.54    11  0.35  molprobity     1  True   
383  383  mmt       -67.6   -19.6  Favored     9     8  0.66    10  0.63  molprobity     1  True   
384  384  tptt      -59.0   -38.3  Favored    13     9  0.24    11  0.35  molprobity     1  True   
385  385  mm-40     -67.1   -23.8  Favored     6     9  0.41    12  0.69  molprobity     1  True   
386  386  mmmt      -91.6   -16.8  Favored    13     9  0.45    11  0.37  molprobity     1  True   
387  387  ?          98.0    11.1  Favored     3     4  0.41     5  0.29  molprobity     1  True   
388  388  mp        -72.6   -50.5  Favored    11     8  0.49    11  0.62  molprobity     ?  False  
389  389  m-85      -94.7    85.7  Favored     9    11  0.33    13  0.25  molprobity     ?  False  
390  390  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
391  391  ?             ?       ?  ?           3     1  1.23     2  0.07  molprobity     ?  False  
392  392  tpt       -95.5   125.8  Favored     9     8  0.74    10  0.33  molprobity     ?  False  
393  393  p        -123.6   167.4  Favored     7     7  0.66    10  0.55  molprobity     ?  False  
394  394  ppt_?     -76.3   -14.4  Favored    13    11  0.69    14  1.16  molprobity     ?  False  
395  395  t         -70.8   -48.1  Favored     5     6  0.56     8  0.53  molprobity     ?  False  
396  396  ?         -60.0   -37.9  Favored     5     5  0.65     7  0.51  molprobity     1  True   
397  397  t80       -56.4   -45.4  Favored     9    12  0.52    16  0.44  molprobity     1  True   
398  398  ?         -66.4   -18.5  Favored     5     5  0.36     7  0.42  molprobity     1  True   
399  399  m-80      -97.7    -3.9  Favored     6     8  0.49    11  0.29  molprobity     1  True   
400  400  mt        -74.5   154.3  Favored    11     8  0.69    12  0.61  molprobity     1  True   
401  401  Cg_endo   -61.6   161.2  Favored     7     8  0.50    11  0.45  molprobity     1  True   
402  402  tp        -58.3   -42.8  Favored    11     8  0.34    11  0.23  molprobity     1  True   
403  403  p-90      -61.1   -34.8  Favored    10    16  0.39    23  0.33  molprobity     1  True   
404  404  mttt      -70.3   -31.1  Favored    13     9  0.87    11  0.51  molprobity     1  True   
405  405  mm-40     -66.6   -42.7  Favored     8     9  0.74    12  0.50  molprobity     1  True   
406  406  mt-30     -71.2   -46.3  Favored     8     9  0.65    12  0.45  molprobity     1  True   
407  407  ?         -64.9   -32.0  Favored     5     5  0.62     7  0.29  molprobity     1  True   
408  408  mt        -86.3   -46.9  Favored    11     8  0.61    11  0.27  molprobity     1  True   
409  409  mmt       -65.2   -21.8  Favored     9     8  0.66    10  0.64  molprobity     1  True   
410  410  ttmm      -51.4   -50.1  Favored    13     9  0.32    11  0.48  molprobity     1  True   
411  411  mt-10     -70.7   -25.5  Favored     6     9  0.64    12  0.67  molprobity     1  True   
412  412  tmtp?     -80.3   -14.7  Favored    13     9  0.52    11  0.85  molprobity     1  True   
413  413  ?         106.8     4.1  Favored     3     4  0.80     5  0.29  molprobity     1  True   
414  414  mp        -76.7   -40.8  Favored    11     8  0.69    11  0.70  molprobity     ?  False  
415  415  m-85     -110.3    99.9  Favored     9    11  0.57    13  0.42  molprobity     ?  False  
416  416  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
417  417  ?             ?       ?  ?           3     1  1.50     2  0.13  molprobity     ?  False  
418  418  ttm       -98.5   116.4  Favored     9     8  0.98    10  0.48  molprobity     ?  False  
419  419  p         -93.6   178.6  Favored     7     7  0.90    10  0.65  molprobity     ?  False  
420  420  mtp180    -65.0   -30.3  Favored    13    11  0.81    14  0.56  molprobity     ?  False  
421  421  t         -67.4   -45.2  Favored     5     6  0.58     8  0.46  molprobity     ?  False  
422  422  ?         -60.4   -42.1  Favored     5     5  0.31     7  0.73  molprobity     1  True   
423  423  t80       -60.4   -42.2  Favored     9    12  0.57    16  0.53  molprobity     1  True   
424  424  ?         -65.6   -23.0  Favored     5     5  0.41     7  0.30  molprobity     1  True   
425  425  m-80      -84.2   -16.5  Favored     6     8  0.49    11  0.39  molprobity     1  True   
426  426  mt        -68.4   154.4  Favored    11     8  0.59    12  0.66  molprobity     1  True   
427  427  Cg_endo   -66.0   160.2  Favored     7     8  0.35    11  0.42  molprobity     1  True   
428  428  tp        -54.3   -43.8  Favored    11     8  0.38    11  0.28  molprobity     1  True   
429  429  p-90      -61.4   -32.6  Favored    10    16  0.40    23  0.33  molprobity     1  True   
430  430  mttp      -74.4   -30.2  Favored    13     9  0.70    11  0.51  molprobity     1  True   
431  431  mm-40     -65.0   -42.5  Favored     8     9  0.65    12  0.58  molprobity     1  True   
432  432  mt-30     -67.9   -49.2  Favored     8     9  0.77    12  0.48  molprobity     1  True   
433  433  ?         -60.1   -35.4  Favored     5     5  0.59     7  0.34  molprobity     1  True   
434  434  mt        -83.8   -47.0  Favored    11     8  0.71    11  0.40  molprobity     1  True   
435  435  mmt       -66.5   -20.9  Favored     9     8  0.64    10  0.73  molprobity     1  True   
436  436  mmtp      -53.5   -53.4  Favored    13     9  0.36    11  1.00  molprobity     1  True   
437  437  pt-20     -74.6   -13.1  Favored     6     9  0.58    12  0.61  molprobity     1  True   
438  438  mtpp      -98.2     4.0  Favored    13     9  0.67    11  0.52  molprobity     1  True   
439  439  ?          78.0    28.8  Favored     3     4  0.58     5  0.45  molprobity     1  True   
440  440  mp        -93.2   -40.1  Favored    11     8  0.67    11  0.71  molprobity     ?  False  
441  441  m-85     -102.5    95.6  Favored     9    11  0.49    13  0.44  molprobity     ?  False  
442  442  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
443  443  ?             ?       ?  ?           3     1  1.22     2  0.32  molprobity     ?  False  
444  444  ttm       -94.9   118.2  Favored     9     8  0.80    10  0.41  molprobity     ?  False  
445  445  p         -95.1  -178.4  Favored     7     7  0.83    10  0.72  molprobity     ?  False  
446  446  ttp180    -61.4   -33.5  Favored    13    11  0.44    14  0.78  molprobity     ?  False  
447  447  m         -58.9   -50.3  Favored     5     6  0.55     8  0.55  molprobity     ?  False  
448  448  ?         -64.8   -40.8  Favored     5     5  0.52     7  0.55  molprobity     1  True   
449  449  t80       -60.2   -42.1  Favored     9    12  0.52    16  0.49  molprobity     1  True   
450  450  ?         -67.5   -21.1  Favored     5     5  0.51     7  0.24  molprobity     1  True   
451  451  m-80      -90.4   -19.2  Favored     6     8  0.45    11  0.41  molprobity     1  True   
452  452  mt        -63.7   152.8  Favored    11     8  0.75    12  0.78  molprobity     1  True   
453  453  Cg_endo   -63.4   162.2  Favored     7     8  0.38    11  0.51  molprobity     1  True   
454  454  tp        -53.4   -44.4  Favored    11     8  0.34    11  0.31  molprobity     1  True   
455  455  p-90      -60.8   -34.0  Favored    10    16  0.42    23  0.41  molprobity     1  True   
456  456  mmtp      -74.0   -29.9  Favored    13     9  0.86    11  0.31  molprobity     1  True   
457  457  mm-40     -67.0   -42.8  Favored     8     9  0.73    12  0.57  molprobity     1  True   
458  458  mt-30     -67.6   -46.3  Favored     8     9  0.81    12  0.49  molprobity     1  True   
459  459  ?         -61.8   -43.3  Favored     5     5  0.89     7  0.38  molprobity     1  True   
460  460  mt        -76.2   -44.7  Favored    11     8  0.87    11  0.42  molprobity     1  True   
461  461  mmt       -67.8   -24.0  Favored     9     8  0.60    10  0.73  molprobity     1  True   
462  462  tttp      -64.8   -40.7  Favored    13     9  0.30    11  0.27  molprobity     1  True   
463  463  OUTLIER   -67.0   -23.2  Favored     6     9  0.44    12  0.56  molprobity     1  True   
464  464  mmpt?     -88.3   -23.7  Favored    13     9  0.52    11  0.63  molprobity     1  True   
465  465  ?         104.6    11.8  Favored     3     4  0.57     5  0.20  molprobity     1  True   
466  466  mp        -77.0   -57.6  Favored    11     8  0.45    11  0.59  molprobity     ?  False  
467  467  p90      -156.5    97.8  Allowed     9    11  0.59    13  0.59  molprobity     ?  False  
468  468  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
469  469  ?             ?       ?  ?           3     1  1.39     2  0.08  molprobity     ?  False  
470  470  ptm       -96.4   140.1  Favored     9     8  0.93    10  0.60  molprobity     ?  False  
471  471  p         -74.2   160.8  Favored     7     7  0.68    10  0.65  molprobity     ?  False  
472  472  ttp180    -64.5   -26.4  Favored    13    11  0.70    14  0.47  molprobity     ?  False  
473  473  t         -64.0   -40.4  Favored     5     6  0.45     8  0.37  molprobity     ?  False  
474  474  ?         -71.9   -36.4  Favored     5     5  0.45     7  0.67  molprobity     1  True   
475  475  t80       -57.4   -42.9  Favored     9    12  0.58    16  0.36  molprobity     1  True   
476  476  ?         -66.9   -10.9  Favored     5     5  0.51     7  0.32  molprobity     1  True   
477  477  m-80     -101.8    -0.6  Favored     6     8  0.58    11  0.32  molprobity     1  True   
478  478  mt        -88.1   154.9  Favored    11     8  0.65    12  0.71  molprobity     1  True   
479  479  Cg_endo   -62.4   165.5  Favored     7     8  0.42    11  0.46  molprobity     1  True   
480  480  tp        -57.6   -45.7  Favored    11     8  0.40    11  0.28  molprobity     1  True   
481  481  p-90      -59.6   -34.9  Favored    10    16  0.56    23  0.35  molprobity     1  True   
482  482  mmtp      -72.0   -32.1  Favored    13     9  0.79    11  0.36  molprobity     1  True   
483  483  mm-40     -65.1   -44.3  Favored     8     9  0.73    12  0.52  molprobity     1  True   
484  484  mt-30     -69.3   -40.8  Favored     8     9  0.89    12  0.44  molprobity     1  True   
485  485  ?         -63.4   -44.1  Favored     5     5  0.72     7  0.44  molprobity     1  True   
486  486  mt        -76.3   -43.7  Favored    11     8  0.69    11  0.35  molprobity     1  True   
487  487  mmt       -65.0   -31.6  Favored     9     8  0.60    10  0.71  molprobity     1  True   
488  488  mtmm      -64.0   -36.2  Favored    13     9  0.34    11  0.63  molprobity     1  True   
489  489  mt-10     -65.1   -38.5  Favored     6     9  0.85    12  0.72  molprobity     1  True   
490  490  ttpt      -77.8   -22.9  Favored    13     9  0.45    11  0.62  molprobity     1  True   
491  491  ?         116.1    16.2  Favored     3     4  0.47     5  0.42  molprobity     1  True   
492  492  mp        -77.4   -64.5  Allowed    11     8  0.46    11  0.62  molprobity     ?  False  
493  493  m-85      -85.3   113.2  Favored     9    11  0.38    13  0.27  molprobity     ?  False  
494  494  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
495  495  ?             ?       ?  ?           3     1  1.42     2  0.06  molprobity     ?  False  
496  496  ttm       -88.6    96.3  Favored     9     8  0.81    10  0.63  molprobity     ?  False  
497  497  p         -88.7  -173.3  Favored     7     7  0.76    10  0.68  molprobity     ?  False  
498  498  mtm-85    -73.1   -22.2  Favored    13    11  0.46    14  0.58  molprobity     ?  False  
499  499  m         -72.3   -46.3  Favored     5     6  0.65     8  0.55  molprobity     ?  False  
500  500  ?         -63.0   -39.6  Favored     5     5  0.34     7  0.65  molprobity     1  True   
501  501  t80       -55.0   -43.0  Favored     9    12  0.65    16  0.38  molprobity     1  True   
502  502  ?         -69.5   -18.0  Favored     5     5  0.47     7  0.29  molprobity     1  True   
503  503  m-80      -88.6   -15.2  Favored     6     8  0.52    11  0.35  molprobity     1  True   
504  504  mt        -69.8   153.1  Favored    11     8  0.63    12  0.63  molprobity     1  True   
505  505  Cg_endo   -63.1   160.1  Favored     7     8  0.36    11  0.42  molprobity     1  True   
506  506  tp        -55.5   -44.4  Favored    11     8  0.36    11  0.26  molprobity     1  True   
507  507  p-90      -59.8   -31.5  Favored    10    16  0.46    23  0.31  molprobity     1  True   
508  508  mttp      -75.4   -30.4  Favored    13     9  0.69    11  0.63  molprobity     1  True   
509  509  mm-40     -65.8   -41.9  Favored     8     9  0.61    12  0.59  molprobity     1  True   
510  510  mt-30     -66.3   -48.6  Favored     8     9  0.78    12  0.54  molprobity     1  True   
511  511  ?         -58.2   -41.2  Favored     5     5  0.67     7  0.36  molprobity     1  True   
512  512  mt        -81.8   -45.3  Favored    11     8  0.71    11  0.40  molprobity     1  True   
513  513  mmt       -69.1   -22.7  Favored     9     8  0.69    10  0.70  molprobity     1  True   
514  514  tmtp?     -63.5   -42.1  Favored    13     9  0.26    11  0.70  molprobity     1  True   
515  515  mt-10     -63.0   -40.9  Favored     6     9  0.70    12  1.00  molprobity     1  True   
516  516  tmtp?     -75.4   -24.3  Favored    13     9  0.46    11  0.96  molprobity     1  True   
517  517  ?         103.3    21.0  Favored     3     4  0.49     5  0.27  molprobity     1  True   
518  518  mp        -84.6   -56.0  Favored    11     8  0.56    11  0.62  molprobity     ?  False  
519  519  p90      -150.0    89.0  Allowed     9    11  0.65    13  0.73  molprobity     ?  False  
520  520  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
#
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   20  HZ2    1  0.42  1.75  
  2   20  HB3    1  0.42  1.75  
  3   28  SD     2  0.47  2.50  
  4   36  HD11   2  0.47  2.50  
  5   38  O      3  0.47  2.09  
  6   42  HG3    3  0.47  2.09  
  7   44  O      4  0.64  1.93  
  8   45  HB3    5  0.53  1.80  
  9   47  HG2    4  0.64  1.93  
 10   47  HG3    6  0.46  1.86  
 11   48  HG3    6  0.46  1.86  
 12   50  HB2    5  0.53  1.80  
 13   56  HA     7  0.47  1.86  
 14   56  N      8  0.44  2.27  
 15   56  HD2    8  0.44  2.27  
 16   59  HB3    7  0.47  1.86  
 17   68  HA     9  0.46  2.46  
 18   77  CE2    9  0.46  2.46  
 19   91  CZ3   10  0.45  2.47  
 20   92  HG2   10  0.45  2.47  
 21  114  HB2   11  0.45  2.27  
 22  119  NE2   11  0.45  2.27  
 23  146  HA    12  0.41  2.50  
 24  149  HA    13  0.50  1.83  
 25  149  HE2   13  0.50  1.83  
 26  152  HE2   14  0.69  1.63  
 27  152  HA    14  0.69  1.63  
 28  155  CE2   12  0.41  2.50  
 29  219  O     15  0.42  2.15  
 30  223  HG2   15  0.42  2.15  
 31  245  O     16  0.41  2.15  
 32  246  HG    17  0.52  1.65  
 33  247  CZ3   18  0.41  2.50  
 34  248  HG2   18  0.41  2.50  
 35  249  HG2   16  0.41  2.15  
 36  250  HE21  17  0.52  1.65  
 37  273  CZ3   19  0.44  2.48  
 38  273  CH2   20  0.41  2.51  
 39  274  HG2   19  0.44  2.48  
 40  274  HG2   20  0.41  2.51  
 41  279  HB3   21  0.53  1.79  
 42  279  HB2   22  0.45  2.46  
 43  279  HB2   23  0.40  1.76  
 44  279  SD    24  0.40  2.56  
 45  284  HB2   21  0.53  1.79  
 46  284  HD22  24  0.40  2.56  
 47  285  CD1   22  0.45  2.46  
 48  285  HD1   23  0.40  1.76  
 49  293  HE2   25  0.43  1.73  
 50  296  HB2   26  0.44  2.28  
 51  297  O     27  0.45  2.12  
 52  301  HG2   27  0.45  2.12  
 53  301  NE2   26  0.44  2.28  
 54  304  HB2   25  0.43  1.73  
 55  322  HD13  28  0.41  1.91  
 56  324  HG    29  0.44  1.72  
 57  325  CZ3   30  0.42  2.49  
 58  326  HG2   30  0.42  2.49  
 59  326  HD2   28  0.41  1.91  
 60  328  HE21  29  0.44  1.72  
 61  330  O     31  0.46  2.10  
 62  331  SD    32  0.50  2.47  
 63  331  HB3   33  0.49  1.84  
 64  333  HG2   31  0.46  2.10  
 65  336  HD22  32  0.50  2.47  
 66  336  HB2   33  0.49  1.84  
 67  356  O     34  0.41  2.15  
 68  359  HG2   34  0.41  2.15  
 69  374  HD13  35  0.54  1.76  
 70  378  HD3   35  0.54  1.76  
 71  380  HA    36  0.47  2.45  
 72  389  CD2   36  0.47  2.45  
 73  402  HG    37  0.48  1.69  
 74  406  HE21  37  0.48  1.69  
 75  406  HA    38  0.44  2.48  
 76  410  HA    39  0.44  1.89  
 77  415  HB2   39  0.44  1.89  
 78  415  CE2   38  0.44  2.48  
 79  432  O     40  0.45  2.12  
 80  436  HD3   41  0.57  1.76  
 81  436  HG2   40  0.45  2.12  
 82  441  HB2   41  0.57  1.76  
 83  444  HG3   42  0.48  1.85  
 84  448  HB3   42  0.48  1.85  
 85  448  O     43  0.42  2.14  
 86  452  HG    43  0.42  2.14  
 87  454  HG    44  0.44  1.73  
 88  458  HE21  44  0.44  1.73  
 89  464  HE2   45  0.64  1.70  
 90  464  HA    45  0.64  1.70  
 91  470  CE    46  0.42  2.44  
 92  478  HD13  47  0.52  1.82  
 93  478  HD11  46  0.42  2.44  
 94  479  O     48  0.41  2.15  
 95  481  CZ3   49  0.42  2.50  
 96  482  HD2   47  0.52  1.82  
 97  482  HG2   49  0.42  2.50  
 98  483  HG2   48  0.41  2.15  
 99  488  HG2   50  0.53  1.79  
100  488  CG    51  0.41  2.45  
101  493  HB2   50  0.53  1.79  
102  493  HB2   51  0.41  2.45  
103  510  O     52  0.49  2.07  
104  510  HA    53  0.44  2.46  
105  514  HB2   52  0.49  2.07  
106  519  CE2   53  0.44  2.46  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  2        ?     
 2  2        ?     
 3  1        ?     
 4  3        ?     
 5  outlier  ?     
 6  2        ?     
 7  1        True  
 8  1        ?     
 9  3        ?     
10  1        ?     
11  3        ?     
12  1        ?     
13  outlier  ?     
14  outlier  ?     
15  2        True  
16  2        ?     
17  3        ?     
18  2        ?     
19  1        ?     
20  3        True  
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  18
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.200
_pdbx_vrpt_cyrange_domain.medoid_model        20
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.248
_pdbx_vrpt_cyrange_domain.residue_string      A:57-A:74
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           3
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        HP24stabNmrStar_sorted.csh
_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           304
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           304
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            304
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_unparsed_chemical_shift.ordinal
_pdbx_vrpt_unparsed_chemical_shift.id
_pdbx_vrpt_unparsed_chemical_shift.auth_asym_id
_pdbx_vrpt_unparsed_chemical_shift.rescode
_pdbx_vrpt_unparsed_chemical_shift.auth_seq_id
_pdbx_vrpt_unparsed_chemical_shift.label_atom_id
_pdbx_vrpt_unparsed_chemical_shift.value
_pdbx_vrpt_unparsed_chemical_shift.error
_pdbx_vrpt_unparsed_chemical_shift.ambiguity
_pdbx_vrpt_unparsed_chemical_shift.diagnostic
 1  ?     A  MET  53  HE2   2.001  .  1  "Reported more than once"  
 2  ?     A  MET  53  HE3   2.001  .  1  "Reported more than once"  
 3  ?     A  THR  54  HG22  1.171  .  1  "Reported more than once"  
 4  ?     A  THR  54  HG23  1.171  .  1  "Reported more than once"  
 5  ?     A  ALA  57  HB2   1.257  .  1  "Reported more than once"  
 6  ?     A  ALA  57  HB3   1.257  .  1  "Reported more than once"  
 7  ?     A  ALA  59  HB2   1.332  .  1  "Reported more than once"  
 8  ?     A  ALA  59  HB3   1.332  .  1  "Reported more than once"  
 9  ?     A  LEU  61  HD12  0.628  .  2  "Reported more than once"  
10  ?     A  LEU  61  HD13  0.628  .  2  "Reported more than once"  
11  ?     A  LEU  61  HD22  0.697  .  2  "Reported more than once"  
12  ?     A  LEU  61  HD23  0.697  .  2  "Reported more than once"  
13  ?     A  LEU  63  HD12  0.864  .  2  "Reported more than once"  
14  ?     A  LEU  63  HD13  0.864  .  2  "Reported more than once"  
15  ?     A  LEU  63  HD22  0.820  .  2  "Reported more than once"  
16  ?     A  LEU  63  HD23  0.820  .  2  "Reported more than once"  
17  ?     A  ALA  68  HB2   1.496  .  1  "Reported more than once"  
18  ?     A  ALA  68  HB3   1.496  .  1  "Reported more than once"  
19  ?     A  LEU  69  HD12  0.753  .  2  "Reported more than once"  
20  ?     A  LEU  69  HD13  0.753  .  2  "Reported more than once"  
21  ?     A  LEU  69  HD22  0.787  .  2  "Reported more than once"  
22  ?     A  LEU  69  HD23  0.787  .  2  "Reported more than once"  
23  ?     A  MET  70  HE2   1.980  .  1  "Reported more than once"  
24  ?     A  MET  70  HE3   1.980  .  1  "Reported more than once"  
25  ?     A  LEU  75  HD22  0.738  .  2  "Reported more than once"  
26  ?     A  LEU  75  HD23  0.738  .  2  "Reported more than once"  
27  ?     A  LEU  75  HD12  0.673  .  2  "Reported more than once"  
28  ?     A  LEU  75  HD13  0.673  .  2  "Reported more than once"  
#
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  MET  53  0.112  
 2  A  THR  54  0.105  
 3  A  ARG  55  0.088  
 4  A  SER  56  0.077  
 5  A  ALA  57  0.066  
 6  A  PHE  58  0.062  
 7  A  ALA  59  0.070  
 8  A  ASN  60  0.099  
 9  A  LEU  61  0.096  
10  A  PRO  62  0.077  
11  A  LEU  63  0.038  
12  A  TRP  64  0.029  
13  A  LYS  65  0.024  
14  A  GLN  66  0.023  
15  A  GLN  67  0.026  
16  A  ALA  68  0.032  
17  A  LEU  69  0.040  
18  A  MET  70  0.044  
19  A  LYS  71  0.053  
20  A  GLU  72  0.070  
21  A  LYS  73  0.116  
22  A  GLY  74  0.173  
23  A  LEU  75  0.224  
24  A  PHE  76  0.246  
#
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  24  
3  CB  0.50  0.00  0.00  23  
4  N   0.50  0.00  0.00  19  
#
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   3    3  stereomethyl  stereomethyl  
 2  203  57  260  overall       Total         
 3   65  24   89  backbone      Total         
 4  136  13  149  sidechain     Total         
 5    2  20   22  aromatic      Total         
 6  127  17  144  overall       H             
 7   33   3   36  backbone      H             
 8   93   4   97  sidechain     H             
 9    1  10   11  aromatic      H             
10   58  34   92  overall       C             
11   18  18   36  backbone      C             
12   40   6   46  sidechain     C             
13    0  10   10  aromatic      C             
14   18   6   24  overall       N             
15   14   3   17  backbone      N             
16    3   3    6  sidechain     N             
17    1   0    1  aromatic      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  269  84  353  overall       Total         
 3   87  32  119  backbone      Total         
 4  180  22  202  sidechain     Total         
 5    2  30   32  aromatic      Total         
 6  168  28  196  overall       H             
 7   44   4   48  backbone      H             
 8  123   9  132  sidechain     H             
 9    1  15   16  aromatic      H             
10   78  46  124  overall       C             
11   24  24   48  backbone      C             
12   54   7   61  sidechain     C             
13    0  15   15  aromatic      C             
14   23  10   33  overall       N             
15   19   4   23  backbone      N             
16    3   6    9  sidechain     N             
17    1   0    1  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     558  
 2  "Intra-residue (|i-j|=0)"                       142  
 3  "Sequential (|i-j|=1)"                          160  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            188  
 5  "Long range (|i-j|>=5)"                          68  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                 0  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             21.5  
12  "Number of long range restraints per residue"   2.6  
#
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                 142   25.4  0  0.0  0.0  1  0.2  0.7  
 2  Intra-residue  BackboneBackbone      2    0.4  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain   107   19.2  0  0.0  0.0  1  0.2  0.9  
 4  Intra-residue  SidechainSidechain   33    5.9  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                 160   28.7  0  0.0  0.0  2  0.4  1.2  
 6  Sequential     BackboneBackbone     33    5.9  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain    93   16.7  0  0.0  0.0  1  0.2  1.1  
 8  Sequential     SidechainSidechain   34    6.1  0  0.0  0.0  1  0.2  2.9  
 9  MediumRange    all                 188   33.7  0  0.0  0.0  3  0.5  1.6  
10  MediumRange    BackboneBackbone     45    8.1  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain    80   14.3  0  0.0  0.0  3  0.5  3.8  
12  MediumRange    SidechainSidechain   63   11.3  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                  68   12.2  0  0.0  0.0  1  0.2  1.5  
14  LongRange      BackboneBackbone      1    0.2  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain    26    4.7  0  0.0  0.0  1  0.2  3.8  
16  LongRange      SidechainSidechain   41    7.3  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                   0    0.0  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                 558  100.0  0  0.0  0.0  7  1.3  1.3  
24  Total          BackboneBackbone     81   14.5  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain   306   54.8  0  0.0  0.0  6  1.1  2.0  
26  Total          SidechainSidechain  171   30.6  0  0.0  0.0  1  0.2  0.6  
#
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  0.11  0.11  0.11  0.00  
 3   3  0.11  0.11  0.11  0.00  
 4   4  0.16  0.16  0.16  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.00  0.00  0.00  0.00  
 8   8  0.11  0.11  0.11  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.11  0.11  0.11  0.00  
11  11  0.16  0.16  0.16  0.00  
12  12  0.19  0.19  0.19  0.00  
13  13  0.15  0.15  0.15  0.00  
14  14  0.13  0.13  0.13  0.00  
15  15  0.11  0.11  0.11  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.14  0.12  0.12  0.02  
18  18  0.12  0.12  0.12  0.00  
19  19  0.15  0.15  0.15  0.00  
20  20  0.11  0.11  0.11  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          1  
 11   2  interchain    0  
 12   2  total         1  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          1  
 17   3  interchain    0  
 18   3  total         1  
 19   4  intraresidue  0  
 20   4  sequential    1  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         1  
 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    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        1  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         1  
 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    1  
 57  10  medium        1  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         2  
 61  11  intraresidue  0  
 62  11  sequential    1  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         1  
 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    1  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         1  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          1  
 83  14  interchain    0  
 84  14  total         1  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        1  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         1  
 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  1  
 98  17  sequential    0  
 99  17  medium        1  
100  17  long          0  
101  17  interchain    0  
102  17  total         2  
103  18  intraresidue  0  
104  18  sequential    1  
105  18  medium        1  
106  18  long          0  
107  18  interchain    0  
108  18  total         2  
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    0  
117  20  medium        0  
118  20  long          1  
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    1  
  3   1  medium        1  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         3  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        2  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         2  
 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          1  
 23   4  interchain    0  
 24   4  total         1  
 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    1  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         1  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 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  0.2   0.8   
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  410  1  .  A  64  TRP  ?     1  A  13  HZ2   A  .  65  LYS  14  A  1  ?     HD2  6  0.14  0.15  0.02  
2   62  1  .  A  53  MET  ?     1  A   2  HE1   A  .  61  LEU  10  A  1  ?     H    4  0.11  0.11  0.01  
3   62  1  .  A  53  MET  ?     1  A   2  HE2   A  .  61  LEU  10  A  1  ?     H    4  0.11  0.11  0.01  
4   62  1  .  A  53  MET  ?     1  A   2  HE3   A  .  61  LEU  10  A  1  ?     H    4  0.11  0.11  0.01  
5  161  1  .  A  61  LEU  ?     1  A  10  HA    A  .  65  LYS  14  A  1  ?     HB3  2  0.11  0.11  0.00  
6  183  1  .  A  66  GLN  ?     1  A  15  HE21  A  .  70  MET  19  A  1  ?     H    2  0.11  0.11  0.00  
#
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  275  1  305  306  HE1   H    0.19  
 2  275  1  305  306  HE2   H    0.19  
 3  275  1  305  306  HE3   H    0.19  
 4  410  1   91   92  HZ2   HD2  0.16  
 5  410  1  273  274  HZ2   HD2  0.16  
 6  410  1  325  326  HZ2   HD2  0.15  
 7  410  1  481  482  HZ2   HD2  0.15  
 8  514  1  438  438  HA    HD2  0.14  
 9  514  1  438  438  HA    HD3  0.14  
10   62  1  340  348  HE1   H    0.13  
11   62  1  340  348  HE2   H    0.13  
12   62  1  340  348  HE3   H    0.13  
13  410  1  455  456  HZ2   HD2  0.12  
14   62  1   28   36  HE1   H    0.11  
15   62  1   28   36  HE2   H    0.11  
16   62  1   28   36  HE3   H    0.11  
17   62  1   54   62  HE1   H    0.11  
18   62  1   54   62  HE2   H    0.11  
19   62  1   54   62  HE3   H    0.11  
20   62  1  496  504  HE1   H    0.11  
21   62  1  496  504  HE2   H    0.11  
22   62  1  496  504  HE3   H    0.11  
23  410  1  247  248  HZ2   HD2  0.11  
24  395  1  434  437  HB2   H    0.11  
25  183  1  249  253  HE21  H    0.11  
26  183  1  457  461  HE21  H    0.11  
27  161  1  192  196  HA    HB3  0.11  
28  161  1  374  378  HA    HB3  0.11  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  mogul                  "1.8.4, CSD as541be (2020)"                                           Y  
3  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  
##
