data_2NDD

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2NDD   
BMRB  26056  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2NDD
_pdbx_vrpt_summary.PDB_deposition_date         2016-05-12
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-04:13:40
_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  "Potassium channel toxin kappa-KTx 5.1"
#
_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  29.87  158937  ?     ?     
2  2  1  54.01   12864  ?     ?     
3  1  2   3.44  154571  ?     ?     
4  2  2  23.47   11451  ?     ?     
5  1  3   1.74  154315  ?     ?     
6  2  3  20.04   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    0.64  
 2  4  2  A   1  1  A    0.64  
 3  5  3  A   1  1  A    0.77  
 4  6  3  A   1  1  A    0.77  
 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    1.66  
 8  6  3  A   2  1  A    1.66  
 9  3  2  A   3  1  A    0.22  
10  4  2  A   3  1  A    0.22  
11  5  3  A   3  1  A    0.77  
12  6  3  A   3  1  A    0.77  
13  3  2  A   4  1  A    0.64  
14  4  2  A   4  1  A    0.64  
15  5  3  A   4  1  A    0.34  
16  6  3  A   4  1  A    0.34  
17  3  2  A   5  1  A    0.64  
18  4  2  A   5  1  A    0.64  
19  5  3  A   5  1  A    0.04  
20  6  3  A   5  1  A    0.04  
21  3  2  A   6  1  A    2.51  
22  4  2  A   6  1  A    2.51  
23  5  3  A   6  1  A    0.09  
24  6  3  A   6  1  A    0.09  
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    0.09  
28  6  3  A   7  1  A    0.09  
29  3  2  A   8  1  A    2.51  
30  4  2  A   8  1  A    2.51  
31  5  3  A   8  1  A    0.09  
32  6  3  A   8  1  A    0.09  
33  3  2  A   9  1  A    0.22  
34  4  2  A   9  1  A    0.22  
35  5  3  A   9  1  A    0.01  
36  6  3  A   9  1  A    0.01  
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    0.77  
40  6  3  A  10  1  A    0.77  
41  3  2  A  11  1  A    0.22  
42  4  2  A  11  1  A    0.22  
43  5  3  A  11  1  A    0.04  
44  6  3  A  11  1  A    0.04  
45  3  2  A  12  1  A    2.51  
46  4  2  A  12  1  A    2.51  
47  5  3  A  12  1  A    0.34  
48  6  3  A  12  1  A    0.34  
49  3  2  A  13  1  A    2.51  
50  4  2  A  13  1  A    2.51  
51  5  3  A  13  1  A    0.17  
52  6  3  A  13  1  A    0.17  
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    9.93  
56  6  3  A  14  1  A    9.93  
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    0.17  
60  6  3  A  15  1  A    0.17  
61  3  2  A  16  1  A    0.64  
62  4  2  A  16  1  A    0.64  
63  5  3  A  16  1  A    0.09  
64  6  3  A  16  1  A    0.09  
65  3  2  A  17  1  A    0.22  
66  4  2  A  17  1  A    0.22  
67  5  3  A  17  1  A    0.17  
68  6  3  A  17  1  A    0.17  
69  3  2  A  18  1  A    2.51  
70  4  2  A  18  1  A    2.51  
71  5  3  A  18  1  A    0.34  
72  6  3  A  18  1  A    0.34  
73  3  2  A  19  1  A    2.51  
74  4  2  A  19  1  A    2.51  
75  5  3  A  19  1  A    0.77  
76  6  3  A  19  1  A    0.77  
77  3  2  A  20  1  A    2.51  
78  4  2  A  20  1  A    2.51  
79  5  3  A  20  1  A    1.66  
80  6  3  A  20  1  A    1.66  
#
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  0.75  0.60  199  257  
 2   2  1  A  A  0.75  0.60  199  257  
 3   3  1  A  A  0.76  0.59  199  257  
 4   4  1  A  A  0.75  0.59  199  257  
 5   5  1  A  A  0.75  0.59  199  257  
 6   6  1  A  A  0.75  0.60  199  257  
 7   7  1  A  A  0.76  0.60  199  257  
 8   8  1  A  A  0.76  0.60  199  257  
 9   9  1  A  A  0.76  0.59  199  257  
10  10  1  A  A  0.75  0.60  199  257  
11  11  1  A  A  0.76  0.60  199  257  
12  12  1  A  A  0.75  0.60  199  257  
13  13  1  A  A  0.76  0.59  199  257  
14  14  1  A  A  0.75  0.60  199  257  
15  15  1  A  A  0.75  0.60  199  257  
16  16  1  A  A  0.76  0.60  199  257  
17  17  1  A  A  0.74  0.60  199  257  
18  18  1  A  A  0.75  0.60  199  257  
19  19  1  A  A  0.76  0.60  199  257  
20  20  1  A  A  0.75  0.60  199  257  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              5.28
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  5.62
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   27.65
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       28.26
_pdbx_vrpt_summary_geometry.clashscore                                 9.97
_pdbx_vrpt_summary_geometry.clashscore_full_length                     10.81
_pdbx_vrpt_summary_geometry.num_H_reduce                               3980
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             3980
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.60
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            5140
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.75
#
_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            11
_pdbx_vrpt_summary_nmr.medoid_model                             11
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              0
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              3
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              41.20
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  38.10
#
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  SER  A   1  .  ?        ?  
  2   1  1  A   2  CYS  A   2  .  ?        ?  
  3   1  1  A   3  LYS  A   3  .  ?        ?  
  4   1  1  A   4  LYS  A   4  .  ?        ?  
  5   1  1  A   5  GLU  A   5  .  ?        ?  
  6   1  1  A   6  CYS  A   6  .  ?        1  
  7   1  1  A   7  SER  A   7  .  ?        ?  
  8   1  1  A   8  GLY  A   8  .  ?        ?  
  9   1  1  A   9  SER  A   9  .  ?        ?  
 10   1  1  A  10  ARG  A  10  .  ?        ?  
 11   1  1  A  11  ARG  A  11  .  ?        1  
 12   1  1  A  12  THR  A  12  .  ?        ?  
 13   1  1  A  13  LYS  A  13  .  ?        ?  
 14   1  1  A  14  LYS  A  14  .  ?        ?  
 15   1  1  A  15  CYS  A  15  .  ?        ?  
 16   1  1  A  16  MET  A  16  .  ?        ?  
 17   1  1  A  17  GLN  A  17  .  ?        ?  
 18   1  1  A  18  LYS  A  18  .  ?        ?  
 19   1  1  A  19  CYS  A  19  .  ?        1  
 20   1  1  A  20  ASN  A  20  .  ?        ?  
 21   1  1  A  21  ARG  A  21  .  ?        ?  
 22   1  1  A  22  GLU  A  22  .  ?        ?  
 23   1  1  A  23  HIS  A  23  .  ?        2  
 24   1  1  A  24  GLY  A  24  .  ?        ?  
 25   1  1  A  25  HIS  A  25  .  ?        3  
 26   1  1  A  26  NH2  A  26  .  ?        ?  
 27   2  1  A   1  SER  A   1  .  ?        ?  
 28   2  1  A   2  CYS  A   2  .  ?        ?  
 29   2  1  A   3  LYS  A   3  .  ?        ?  
 30   2  1  A   4  LYS  A   4  .  ?        ?  
 31   2  1  A   5  GLU  A   5  .  ?        ?  
 32   2  1  A   6  CYS  A   6  .  ?        ?  
 33   2  1  A   7  SER  A   7  .  ?        ?  
 34   2  1  A   8  GLY  A   8  .  ?        ?  
 35   2  1  A   9  SER  A   9  .  ?        ?  
 36   2  1  A  10  ARG  A  10  .  ?        ?  
 37   2  1  A  11  ARG  A  11  .  ?        ?  
 38   2  1  A  12  THR  A  12  .  ?        ?  
 39   2  1  A  13  LYS  A  13  .  ?        2  
 40   2  1  A  14  LYS  A  14  .  ?        ?  
 41   2  1  A  15  CYS  A  15  .  ?        1  
 42   2  1  A  16  MET  A  16  .  ?        1  
 43   2  1  A  17  GLN  A  17  .  ?        ?  
 44   2  1  A  18  LYS  A  18  .  ?        ?  
 45   2  1  A  19  CYS  A  19  .  ?        ?  
 46   2  1  A  20  ASN  A  20  .  ?        ?  
 47   2  1  A  21  ARG  A  21  .  ?        ?  
 48   2  1  A  22  GLU  A  22  .  ?        ?  
 49   2  1  A  23  HIS  A  23  .  ?        ?  
 50   2  1  A  24  GLY  A  24  .  ?        ?  
 51   2  1  A  25  HIS  A  25  .  ?        1  
 52   2  1  A  26  NH2  A  26  .  ?        1  
 53   3  1  A   1  SER  A   1  .  ?        ?  
 54   3  1  A   2  CYS  A   2  .  ?        ?  
 55   3  1  A   3  LYS  A   3  .  ?        ?  
 56   3  1  A   4  LYS  A   4  .  ?        ?  
 57   3  1  A   5  GLU  A   5  .  ?        ?  
 58   3  1  A   6  CYS  A   6  .  ?        ?  
 59   3  1  A   7  SER  A   7  .  ?        ?  
 60   3  1  A   8  GLY  A   8  .  ?        ?  
 61   3  1  A   9  SER  A   9  .  ?        ?  
 62   3  1  A  10  ARG  A  10  .  ?        ?  
 63   3  1  A  11  ARG  A  11  .  ?        ?  
 64   3  1  A  12  THR  A  12  .  ?        2  
 65   3  1  A  13  LYS  A  13  .  ?        ?  
 66   3  1  A  14  LYS  A  14  .  ?        2  
 67   3  1  A  15  CYS  A  15  .  ?        ?  
 68   3  1  A  16  MET  A  16  .  ?        ?  
 69   3  1  A  17  GLN  A  17  .  ?        ?  
 70   3  1  A  18  LYS  A  18  .  ?        ?  
 71   3  1  A  19  CYS  A  19  .  ?        ?  
 72   3  1  A  20  ASN  A  20  .  ?        ?  
 73   3  1  A  21  ARG  A  21  .  ?        ?  
 74   3  1  A  22  GLU  A  22  .  ?        ?  
 75   3  1  A  23  HIS  A  23  .  ?        ?  
 76   3  1  A  24  GLY  A  24  .  ?        ?  
 77   3  1  A  25  HIS  A  25  .  ?        ?  
 78   3  1  A  26  NH2  A  26  .  ?        ?  
 79   4  1  A   1  SER  A   1  .  ?        1  
 80   4  1  A   2  CYS  A   2  .  ?        ?  
 81   4  1  A   3  LYS  A   3  .  ?        ?  
 82   4  1  A   4  LYS  A   4  .  ?        ?  
 83   4  1  A   5  GLU  A   5  .  ?        3  
 84   4  1  A   6  CYS  A   6  .  ?        2  
 85   4  1  A   7  SER  A   7  .  ?        2  
 86   4  1  A   8  GLY  A   8  .  ?        ?  
 87   4  1  A   9  SER  A   9  .  ?        ?  
 88   4  1  A  10  ARG  A  10  .  ?        ?  
 89   4  1  A  11  ARG  A  11  .  ?        ?  
 90   4  1  A  12  THR  A  12  .  ?        ?  
 91   4  1  A  13  LYS  A  13  .  ?        ?  
 92   4  1  A  14  LYS  A  14  .  ?        ?  
 93   4  1  A  15  CYS  A  15  .  ?        ?  
 94   4  1  A  16  MET  A  16  .  ?        1  
 95   4  1  A  17  GLN  A  17  .  ?        ?  
 96   4  1  A  18  LYS  A  18  .  ?        4  
 97   4  1  A  19  CYS  A  19  .  ?        ?  
 98   4  1  A  20  ASN  A  20  .  ?        1  
 99   4  1  A  21  ARG  A  21  .  ?        ?  
100   4  1  A  22  GLU  A  22  .  ?        ?  
101   4  1  A  23  HIS  A  23  .  ?        ?  
102   4  1  A  24  GLY  A  24  .  ?        ?  
103   4  1  A  25  HIS  A  25  .  ?        ?  
104   4  1  A  26  NH2  A  26  .  ?        ?  
105   5  1  A   1  SER  A   1  .  ?        ?  
106   5  1  A   2  CYS  A   2  .  ?        ?  
107   5  1  A   3  LYS  A   3  .  ?        ?  
108   5  1  A   4  LYS  A   4  .  ?        ?  
109   5  1  A   5  GLU  A   5  .  ?        ?  
110   5  1  A   6  CYS  A   6  .  ?        1  
111   5  1  A   7  SER  A   7  .  ?        1  
112   5  1  A   8  GLY  A   8  .  ?        ?  
113   5  1  A   9  SER  A   9  .  ?        ?  
114   5  1  A  10  ARG  A  10  .  ?        ?  
115   5  1  A  11  ARG  A  11  .  ?        ?  
116   5  1  A  12  THR  A  12  .  ?        ?  
117   5  1  A  13  LYS  A  13  .  ?        ?  
118   5  1  A  14  LYS  A  14  .  ?        ?  
119   5  1  A  15  CYS  A  15  .  ?        ?  
120   5  1  A  16  MET  A  16  .  ?        1  
121   5  1  A  17  GLN  A  17  .  ?        ?  
122   5  1  A  18  LYS  A  18  .  ?        ?  
123   5  1  A  19  CYS  A  19  .  ?        ?  
124   5  1  A  20  ASN  A  20  .  ?        1  
125   5  1  A  21  ARG  A  21  .  ?        ?  
126   5  1  A  22  GLU  A  22  .  ?        ?  
127   5  1  A  23  HIS  A  23  .  ?        2  
128   5  1  A  24  GLY  A  24  .  ?        ?  
129   5  1  A  25  HIS  A  25  .  ?        ?  
130   5  1  A  26  NH2  A  26  .  ?        ?  
131   6  1  A   1  SER  A   1  .  ?        ?  
132   6  1  A   2  CYS  A   2  .  ?        ?  
133   6  1  A   3  LYS  A   3  .  ?        ?  
134   6  1  A   4  LYS  A   4  .  ?        ?  
135   6  1  A   5  GLU  A   5  .  ?        ?  
136   6  1  A   6  CYS  A   6  .  ?        ?  
137   6  1  A   7  SER  A   7  .  ?        ?  
138   6  1  A   8  GLY  A   8  .  ?        ?  
139   6  1  A   9  SER  A   9  .  ?        1  
140   6  1  A  10  ARG  A  10  .  ?        1  
141   6  1  A  11  ARG  A  11  .  ?        ?  
142   6  1  A  12  THR  A  12  .  ?        ?  
143   6  1  A  13  LYS  A  13  .  ?        ?  
144   6  1  A  14  LYS  A  14  .  ?        ?  
145   6  1  A  15  CYS  A  15  .  ?        ?  
146   6  1  A  16  MET  A  16  .  ?        1  
147   6  1  A  17  GLN  A  17  .  ?        ?  
148   6  1  A  18  LYS  A  18  .  ?        ?  
149   6  1  A  19  CYS  A  19  .  ?        ?  
150   6  1  A  20  ASN  A  20  .  ?        1  
151   6  1  A  21  ARG  A  21  .  ?        ?  
152   6  1  A  22  GLU  A  22  .  ?        ?  
153   6  1  A  23  HIS  A  23  .  ?        ?  
154   6  1  A  24  GLY  A  24  .  ?        ?  
155   6  1  A  25  HIS  A  25  .  ?        2  
156   6  1  A  26  NH2  A  26  .  ?        ?  
157   7  1  A   1  SER  A   1  .  ?        ?  
158   7  1  A   2  CYS  A   2  .  ?        ?  
159   7  1  A   3  LYS  A   3  .  ?        ?  
160   7  1  A   4  LYS  A   4  .  ?        ?  
161   7  1  A   5  GLU  A   5  .  ?        ?  
162   7  1  A   6  CYS  A   6  .  ?        ?  
163   7  1  A   7  SER  A   7  .  ?        ?  
164   7  1  A   8  GLY  A   8  .  ?        ?  
165   7  1  A   9  SER  A   9  .  ?        ?  
166   7  1  A  10  ARG  A  10  .  ?        ?  
167   7  1  A  11  ARG  A  11  .  ?        ?  
168   7  1  A  12  THR  A  12  .  ?        1  
169   7  1  A  13  LYS  A  13  .  ?        ?  
170   7  1  A  14  LYS  A  14  .  ?        1  
171   7  1  A  15  CYS  A  15  .  ?        ?  
172   7  1  A  16  MET  A  16  .  ?        1  
173   7  1  A  17  GLN  A  17  .  ?        2  
174   7  1  A  18  LYS  A  18  .  ?        ?  
175   7  1  A  19  CYS  A  19  .  ?        ?  
176   7  1  A  20  ASN  A  20  .  ?        1  
177   7  1  A  21  ARG  A  21  .  ?        ?  
178   7  1  A  22  GLU  A  22  .  ?        ?  
179   7  1  A  23  HIS  A  23  .  ?        4  
180   7  1  A  24  GLY  A  24  .  ?        ?  
181   7  1  A  25  HIS  A  25  .  ?        3  
182   7  1  A  26  NH2  A  26  .  ?        1  
183   8  1  A   1  SER  A   1  .  ?        ?  
184   8  1  A   2  CYS  A   2  .  ?        ?  
185   8  1  A   3  LYS  A   3  .  ?        ?  
186   8  1  A   4  LYS  A   4  .  ?        ?  
187   8  1  A   5  GLU  A   5  .  ?        ?  
188   8  1  A   6  CYS  A   6  .  ?        ?  
189   8  1  A   7  SER  A   7  .  ?        ?  
190   8  1  A   8  GLY  A   8  .  ?        ?  
191   8  1  A   9  SER  A   9  .  ?        3  
192   8  1  A  10  ARG  A  10  .  ?        ?  
193   8  1  A  11  ARG  A  11  .  ?        3  
194   8  1  A  12  THR  A  12  .  ?        ?  
195   8  1  A  13  LYS  A  13  .  ?        ?  
196   8  1  A  14  LYS  A  14  .  ?        ?  
197   8  1  A  15  CYS  A  15  .  ?        ?  
198   8  1  A  16  MET  A  16  .  ?        2  
199   8  1  A  17  GLN  A  17  .  ?        ?  
200   8  1  A  18  LYS  A  18  .  ?        ?  
201   8  1  A  19  CYS  A  19  .  ?        1  
202   8  1  A  20  ASN  A  20  .  ?        ?  
203   8  1  A  21  ARG  A  21  .  ?        ?  
204   8  1  A  22  GLU  A  22  .  ?        ?  
205   8  1  A  23  HIS  A  23  .  ?        1  
206   8  1  A  24  GLY  A  24  .  ?        ?  
207   8  1  A  25  HIS  A  25  .  ?        ?  
208   8  1  A  26  NH2  A  26  .  ?        ?  
209   9  1  A   1  SER  A   1  .  ?        ?  
210   9  1  A   2  CYS  A   2  .  ?        ?  
211   9  1  A   3  LYS  A   3  .  ?        ?  
212   9  1  A   4  LYS  A   4  .  ?        ?  
213   9  1  A   5  GLU  A   5  .  ?        ?  
214   9  1  A   6  CYS  A   6  .  ?        ?  
215   9  1  A   7  SER  A   7  .  ?        ?  
216   9  1  A   8  GLY  A   8  .  ?        ?  
217   9  1  A   9  SER  A   9  .  ?        ?  
218   9  1  A  10  ARG  A  10  .  ?        ?  
219   9  1  A  11  ARG  A  11  .  ?        ?  
220   9  1  A  12  THR  A  12  .  ?        ?  
221   9  1  A  13  LYS  A  13  .  ?        2  
222   9  1  A  14  LYS  A  14  .  ?        1  
223   9  1  A  15  CYS  A  15  .  ?        1  
224   9  1  A  16  MET  A  16  .  ?        ?  
225   9  1  A  17  GLN  A  17  .  ?        ?  
226   9  1  A  18  LYS  A  18  .  ?        1  
227   9  1  A  19  CYS  A  19  .  ?        2  
228   9  1  A  20  ASN  A  20  .  ?        ?  
229   9  1  A  21  ARG  A  21  .  ?        1  
230   9  1  A  22  GLU  A  22  .  ?        3  
231   9  1  A  23  HIS  A  23  .  ?        2  
232   9  1  A  24  GLY  A  24  .  ?        1  
233   9  1  A  25  HIS  A  25  .  ?        ?  
234   9  1  A  26  NH2  A  26  .  ?        ?  
235  10  1  A   1  SER  A   1  .  ?        ?  
236  10  1  A   2  CYS  A   2  .  ?        ?  
237  10  1  A   3  LYS  A   3  .  ?        ?  
238  10  1  A   4  LYS  A   4  .  ?        ?  
239  10  1  A   5  GLU  A   5  .  ?        ?  
240  10  1  A   6  CYS  A   6  .  ?        ?  
241  10  1  A   7  SER  A   7  .  ?        ?  
242  10  1  A   8  GLY  A   8  .  ?        ?  
243  10  1  A   9  SER  A   9  .  ?        ?  
244  10  1  A  10  ARG  A  10  .  ?        8  
245  10  1  A  11  ARG  A  11  .  ?        ?  
246  10  1  A  12  THR  A  12  .  ?        ?  
247  10  1  A  13  LYS  A  13  .  ?        ?  
248  10  1  A  14  LYS  A  14  .  ?        ?  
249  10  1  A  15  CYS  A  15  .  ?        ?  
250  10  1  A  16  MET  A  16  .  ?        ?  
251  10  1  A  17  GLN  A  17  .  ?        ?  
252  10  1  A  18  LYS  A  18  .  ?        ?  
253  10  1  A  19  CYS  A  19  .  ?        ?  
254  10  1  A  20  ASN  A  20  .  ?        ?  
255  10  1  A  21  ARG  A  21  .  ?        ?  
256  10  1  A  22  GLU  A  22  .  ?        ?  
257  10  1  A  23  HIS  A  23  .  ?        ?  
258  10  1  A  24  GLY  A  24  .  ?        ?  
259  10  1  A  25  HIS  A  25  .  ?        ?  
260  10  1  A  26  NH2  A  26  .  ?        ?  
261  11  1  A   1  SER  A   1  .  ?        ?  
262  11  1  A   2  CYS  A   2  .  ?        1  
263  11  1  A   3  LYS  A   3  .  ?        2  
264  11  1  A   4  LYS  A   4  .  ?        1  
265  11  1  A   5  GLU  A   5  .  ?        ?  
266  11  1  A   6  CYS  A   6  .  ?        ?  
267  11  1  A   7  SER  A   7  .  ?        ?  
268  11  1  A   8  GLY  A   8  .  ?        ?  
269  11  1  A   9  SER  A   9  .  ?        ?  
270  11  1  A  10  ARG  A  10  .  ?        ?  
271  11  1  A  11  ARG  A  11  .  ?        ?  
272  11  1  A  12  THR  A  12  .  ?        ?  
273  11  1  A  13  LYS  A  13  .  ?        ?  
274  11  1  A  14  LYS  A  14  .  ?        ?  
275  11  1  A  15  CYS  A  15  .  ?        ?  
276  11  1  A  16  MET  A  16  .  ?        ?  
277  11  1  A  17  GLN  A  17  .  ?        ?  
278  11  1  A  18  LYS  A  18  .  ?        2  
279  11  1  A  19  CYS  A  19  .  ?        ?  
280  11  1  A  20  ASN  A  20  .  ?        ?  
281  11  1  A  21  ARG  A  21  .  ?        ?  
282  11  1  A  22  GLU  A  22  .  ?        ?  
283  11  1  A  23  HIS  A  23  .  ?        ?  
284  11  1  A  24  GLY  A  24  .  ?        ?  
285  11  1  A  25  HIS  A  25  .  ?        ?  
286  11  1  A  26  NH2  A  26  .  ?        ?  
287  12  1  A   1  SER  A   1  .  ?        ?  
288  12  1  A   2  CYS  A   2  .  ?        ?  
289  12  1  A   3  LYS  A   3  .  ?        2  
290  12  1  A   4  LYS  A   4  .  ?        2  
291  12  1  A   5  GLU  A   5  .  ?        ?  
292  12  1  A   6  CYS  A   6  .  ?        3  
293  12  1  A   7  SER  A   7  .  ?        ?  
294  12  1  A   8  GLY  A   8  .  ?        ?  
295  12  1  A   9  SER  A   9  .  ?        ?  
296  12  1  A  10  ARG  A  10  .  ?        ?  
297  12  1  A  11  ARG  A  11  .  ?        ?  
298  12  1  A  12  THR  A  12  .  ?        ?  
299  12  1  A  13  LYS  A  13  .  ?        ?  
300  12  1  A  14  LYS  A  14  .  ?        ?  
301  12  1  A  15  CYS  A  15  .  ?        1  
302  12  1  A  16  MET  A  16  .  ?        4  
303  12  1  A  17  GLN  A  17  .  ?        ?  
304  12  1  A  18  LYS  A  18  .  ?        ?  
305  12  1  A  19  CYS  A  19  .  ?        ?  
306  12  1  A  20  ASN  A  20  .  ?        ?  
307  12  1  A  21  ARG  A  21  .  ?        ?  
308  12  1  A  22  GLU  A  22  .  ?        ?  
309  12  1  A  23  HIS  A  23  .  ?        ?  
310  12  1  A  24  GLY  A  24  .  ?        ?  
311  12  1  A  25  HIS  A  25  .  ?        ?  
312  12  1  A  26  NH2  A  26  .  ?        ?  
313  13  1  A   1  SER  A   1  .  ?        ?  
314  13  1  A   2  CYS  A   2  .  ?        ?  
315  13  1  A   3  LYS  A   3  .  ?        ?  
316  13  1  A   4  LYS  A   4  .  ?        ?  
317  13  1  A   5  GLU  A   5  .  ?        ?  
318  13  1  A   6  CYS  A   6  .  ?        ?  
319  13  1  A   7  SER  A   7  .  ?        ?  
320  13  1  A   8  GLY  A   8  .  ?        ?  
321  13  1  A   9  SER  A   9  .  ?        ?  
322  13  1  A  10  ARG  A  10  .  ?        ?  
323  13  1  A  11  ARG  A  11  .  ?        ?  
324  13  1  A  12  THR  A  12  .  ?        ?  
325  13  1  A  13  LYS  A  13  .  ?        ?  
326  13  1  A  14  LYS  A  14  .  ?        ?  
327  13  1  A  15  CYS  A  15  .  ?        ?  
328  13  1  A  16  MET  A  16  .  ?        ?  
329  13  1  A  17  GLN  A  17  .  ?        ?  
330  13  1  A  18  LYS  A  18  .  ?        2  
331  13  1  A  19  CYS  A  19  .  ?        ?  
332  13  1  A  20  ASN  A  20  .  ?        ?  
333  13  1  A  21  ARG  A  21  .  ?        ?  
334  13  1  A  22  GLU  A  22  .  ?        ?  
335  13  1  A  23  HIS  A  23  .  ?        ?  
336  13  1  A  24  GLY  A  24  .  ?        ?  
337  13  1  A  25  HIS  A  25  .  ?        ?  
338  13  1  A  26  NH2  A  26  .  ?        ?  
339  14  1  A   1  SER  A   1  .  ?        ?  
340  14  1  A   2  CYS  A   2  .  ?        ?  
341  14  1  A   3  LYS  A   3  .  ?        ?  
342  14  1  A   4  LYS  A   4  .  ?        ?  
343  14  1  A   5  GLU  A   5  .  ?        ?  
344  14  1  A   6  CYS  A   6  .  ?        ?  
345  14  1  A   7  SER  A   7  .  ?        ?  
346  14  1  A   8  GLY  A   8  .  ?        ?  
347  14  1  A   9  SER  A   9  .  ?        ?  
348  14  1  A  10  ARG  A  10  .  ?        ?  
349  14  1  A  11  ARG  A  11  .  ?        ?  
350  14  1  A  12  THR  A  12  .  ?        ?  
351  14  1  A  13  LYS  A  13  .  ?        ?  
352  14  1  A  14  LYS  A  14  .  ?        2  
353  14  1  A  15  CYS  A  15  .  ?        1  
354  14  1  A  16  MET  A  16  .  ?        ?  
355  14  1  A  17  GLN  A  17  .  ?        6  
356  14  1  A  18  LYS  A  18  .  ?        1  
357  14  1  A  19  CYS  A  19  .  ?        ?  
358  14  1  A  20  ASN  A  20  .  ?        ?  
359  14  1  A  21  ARG  A  21  .  ?        ?  
360  14  1  A  22  GLU  A  22  .  ?        ?  
361  14  1  A  23  HIS  A  23  .  ?        ?  
362  14  1  A  24  GLY  A  24  .  ?        ?  
363  14  1  A  25  HIS  A  25  .  ?        ?  
364  14  1  A  26  NH2  A  26  .  ?        ?  
365  15  1  A   1  SER  A   1  .  ?        ?  
366  15  1  A   2  CYS  A   2  .  ?        ?  
367  15  1  A   3  LYS  A   3  .  ?        ?  
368  15  1  A   4  LYS  A   4  .  ?        ?  
369  15  1  A   5  GLU  A   5  .  ?        ?  
370  15  1  A   6  CYS  A   6  .  ?        ?  
371  15  1  A   7  SER  A   7  .  ?        ?  
372  15  1  A   8  GLY  A   8  .  ?        ?  
373  15  1  A   9  SER  A   9  .  ?        ?  
374  15  1  A  10  ARG  A  10  .  ?        ?  
375  15  1  A  11  ARG  A  11  .  ?        ?  
376  15  1  A  12  THR  A  12  .  ?        ?  
377  15  1  A  13  LYS  A  13  .  ?        ?  
378  15  1  A  14  LYS  A  14  .  ?        ?  
379  15  1  A  15  CYS  A  15  .  ?        ?  
380  15  1  A  16  MET  A  16  .  ?        ?  
381  15  1  A  17  GLN  A  17  .  ?        ?  
382  15  1  A  18  LYS  A  18  .  ?        ?  
383  15  1  A  19  CYS  A  19  .  ?        ?  
384  15  1  A  20  ASN  A  20  .  ?        ?  
385  15  1  A  21  ARG  A  21  .  ?        ?  
386  15  1  A  22  GLU  A  22  .  ?        ?  
387  15  1  A  23  HIS  A  23  .  ?        ?  
388  15  1  A  24  GLY  A  24  .  ?        ?  
389  15  1  A  25  HIS  A  25  .  ?        ?  
390  15  1  A  26  NH2  A  26  .  ?        ?  
391  16  1  A   1  SER  A   1  .  ?        ?  
392  16  1  A   2  CYS  A   2  .  ?        ?  
393  16  1  A   3  LYS  A   3  .  ?        ?  
394  16  1  A   4  LYS  A   4  .  ?        ?  
395  16  1  A   5  GLU  A   5  .  ?        ?  
396  16  1  A   6  CYS  A   6  .  ?        2  
397  16  1  A   7  SER  A   7  .  ?        ?  
398  16  1  A   8  GLY  A   8  .  ?        ?  
399  16  1  A   9  SER  A   9  .  ?        ?  
400  16  1  A  10  ARG  A  10  .  ?        ?  
401  16  1  A  11  ARG  A  11  .  ?        ?  
402  16  1  A  12  THR  A  12  .  ?        2  
403  16  1  A  13  LYS  A  13  .  ?        ?  
404  16  1  A  14  LYS  A  14  .  ?        2  
405  16  1  A  15  CYS  A  15  .  ?        ?  
406  16  1  A  16  MET  A  16  .  ?        ?  
407  16  1  A  17  GLN  A  17  .  ?        ?  
408  16  1  A  18  LYS  A  18  .  ?        ?  
409  16  1  A  19  CYS  A  19  .  ?        ?  
410  16  1  A  20  ASN  A  20  .  ?        ?  
411  16  1  A  21  ARG  A  21  .  ?        1  
412  16  1  A  22  GLU  A  22  .  ?        ?  
413  16  1  A  23  HIS  A  23  .  ?        ?  
414  16  1  A  24  GLY  A  24  .  ?        1  
415  16  1  A  25  HIS  A  25  .  ?        ?  
416  16  1  A  26  NH2  A  26  .  ?        ?  
417  17  1  A   1  SER  A   1  .  ?        1  
418  17  1  A   2  CYS  A   2  .  ?        4  
419  17  1  A   3  LYS  A   3  .  ?        1  
420  17  1  A   4  LYS  A   4  .  ?        1  
421  17  1  A   5  GLU  A   5  .  ?        3  
422  17  1  A   6  CYS  A   6  .  ?        ?  
423  17  1  A   7  SER  A   7  .  ?        ?  
424  17  1  A   8  GLY  A   8  .  ?        ?  
425  17  1  A   9  SER  A   9  .  ?        1  
426  17  1  A  10  ARG  A  10  .  ?        ?  
427  17  1  A  11  ARG  A  11  .  ?        1  
428  17  1  A  12  THR  A  12  .  ?        ?  
429  17  1  A  13  LYS  A  13  .  ?        ?  
430  17  1  A  14  LYS  A  14  .  ?        ?  
431  17  1  A  15  CYS  A  15  .  ?        ?  
432  17  1  A  16  MET  A  16  .  ?        ?  
433  17  1  A  17  GLN  A  17  .  ?        ?  
434  17  1  A  18  LYS  A  18  .  ?        ?  
435  17  1  A  19  CYS  A  19  .  ?        ?  
436  17  1  A  20  ASN  A  20  .  ?        ?  
437  17  1  A  21  ARG  A  21  .  ?        ?  
438  17  1  A  22  GLU  A  22  .  ?        ?  
439  17  1  A  23  HIS  A  23  .  ?        ?  
440  17  1  A  24  GLY  A  24  .  ?        ?  
441  17  1  A  25  HIS  A  25  .  ?        ?  
442  17  1  A  26  NH2  A  26  .  ?        ?  
443  18  1  A   1  SER  A   1  .  ?        ?  
444  18  1  A   2  CYS  A   2  .  ?        1  
445  18  1  A   3  LYS  A   3  .  ?        ?  
446  18  1  A   4  LYS  A   4  .  ?        1  
447  18  1  A   5  GLU  A   5  .  ?        2  
448  18  1  A   6  CYS  A   6  .  ?        ?  
449  18  1  A   7  SER  A   7  .  ?        2  
450  18  1  A   8  GLY  A   8  .  ?        1  
451  18  1  A   9  SER  A   9  .  ?        2  
452  18  1  A  10  ARG  A  10  .  ?        1  
453  18  1  A  11  ARG  A  11  .  ?        2  
454  18  1  A  12  THR  A  12  .  ?        2  
455  18  1  A  13  LYS  A  13  .  ?        ?  
456  18  1  A  14  LYS  A  14  .  ?        2  
457  18  1  A  15  CYS  A  15  .  ?        ?  
458  18  1  A  16  MET  A  16  .  ?        ?  
459  18  1  A  17  GLN  A  17  .  ?        ?  
460  18  1  A  18  LYS  A  18  .  ?        ?  
461  18  1  A  19  CYS  A  19  .  ?        ?  
462  18  1  A  20  ASN  A  20  .  ?        ?  
463  18  1  A  21  ARG  A  21  .  ?        ?  
464  18  1  A  22  GLU  A  22  .  ?        ?  
465  18  1  A  23  HIS  A  23  .  ?        ?  
466  18  1  A  24  GLY  A  24  .  ?        ?  
467  18  1  A  25  HIS  A  25  .  ?        2  
468  18  1  A  26  NH2  A  26  .  ?        ?  
469  19  1  A   1  SER  A   1  .  ?        ?  
470  19  1  A   2  CYS  A   2  .  ?        ?  
471  19  1  A   3  LYS  A   3  .  ?        ?  
472  19  1  A   4  LYS  A   4  .  ?        ?  
473  19  1  A   5  GLU  A   5  .  ?        ?  
474  19  1  A   6  CYS  A   6  .  ?        ?  
475  19  1  A   7  SER  A   7  .  ?        ?  
476  19  1  A   8  GLY  A   8  .  ?        ?  
477  19  1  A   9  SER  A   9  .  ?        ?  
478  19  1  A  10  ARG  A  10  .  ?        ?  
479  19  1  A  11  ARG  A  11  .  ?        ?  
480  19  1  A  12  THR  A  12  .  ?        ?  
481  19  1  A  13  LYS  A  13  .  ?        ?  
482  19  1  A  14  LYS  A  14  .  ?        1  
483  19  1  A  15  CYS  A  15  .  ?        ?  
484  19  1  A  16  MET  A  16  .  ?        ?  
485  19  1  A  17  GLN  A  17  .  ?        ?  
486  19  1  A  18  LYS  A  18  .  ?        3  
487  19  1  A  19  CYS  A  19  .  ?        ?  
488  19  1  A  20  ASN  A  20  .  ?        ?  
489  19  1  A  21  ARG  A  21  .  ?        ?  
490  19  1  A  22  GLU  A  22  .  ?        ?  
491  19  1  A  23  HIS  A  23  .  ?        ?  
492  19  1  A  24  GLY  A  24  .  ?        ?  
493  19  1  A  25  HIS  A  25  .  ?        ?  
494  19  1  A  26  NH2  A  26  .  ?        ?  
495  20  1  A   1  SER  A   1  .  ?        ?  
496  20  1  A   2  CYS  A   2  .  ?        ?  
497  20  1  A   3  LYS  A   3  .  ?        ?  
498  20  1  A   4  LYS  A   4  .  ?        ?  
499  20  1  A   5  GLU  A   5  .  ?        4  
500  20  1  A   6  CYS  A   6  .  ?        2  
501  20  1  A   7  SER  A   7  .  ?        ?  
502  20  1  A   8  GLY  A   8  .  ?        ?  
503  20  1  A   9  SER  A   9  .  ?        ?  
504  20  1  A  10  ARG  A  10  .  ?        ?  
505  20  1  A  11  ARG  A  11  .  ?        ?  
506  20  1  A  12  THR  A  12  .  ?        ?  
507  20  1  A  13  LYS  A  13  .  ?        ?  
508  20  1  A  14  LYS  A  14  .  ?        ?  
509  20  1  A  15  CYS  A  15  .  ?        ?  
510  20  1  A  16  MET  A  16  .  ?        1  
511  20  1  A  17  GLN  A  17  .  ?        ?  
512  20  1  A  18  LYS  A  18  .  ?        ?  
513  20  1  A  19  CYS  A  19  .  ?        ?  
514  20  1  A  20  ASN  A  20  .  ?        1  
515  20  1  A  21  ARG  A  21  .  ?        ?  
516  20  1  A  22  GLU  A  22  .  ?        ?  
517  20  1  A  23  HIS  A  23  .  ?        ?  
518  20  1  A  24  GLY  A  24  .  ?        ?  
519  20  1  A  25  HIS  A  25  .  ?        2  
520  20  1  A  26  NH2  A  26  .  ?        ?  
#
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  m             ?       ?  ?           7     6  0.23     8  0.39  molprobity     ?  False  
  2    2  p        -155.2   -28.0  Allowed     4     6  0.18     8  0.95  molprobity     ?  False  
  3    3  mttt      -89.9   -49.7  Favored    13     9  0.36    11  0.74  molprobity     ?  False  
  4    4  pttp      -79.8   -21.5  Favored    13     9  0.37    11  0.74  molprobity     ?  False  
  5    5  mm-40     -82.0    14.9  Favored     6     9  1.43    12  0.74  molprobity     ?  False  
  6    6  t        -146.6   -40.1  Allowed     4     6  0.18     8  0.94  molprobity     1  True   
  7    7  p         -42.4   135.7  Favored     5     6  0.17     8  0.37  molprobity     1  True   
  8    8  ?        -104.8  -109.3  Favored     3     4  0.36     5  0.48  molprobity     1  True   
  9    9  p        -107.0   -44.0  Favored     5     6  0.22     8  0.38  molprobity     1  True   
 10   10  mtt85    -136.4     0.9  Favored    13    11  0.73    14  0.80  molprobity     1  True   
 11   11  tmm_?    -104.1   136.3  Favored    13    11  0.74    14  0.81  molprobity     1  True   
 12   12  m        -168.5   -23.1  OUTLIER     7     7  0.23    10  0.72  molprobity     1  True   
 13   13  mtpm?     -60.0   -20.8  Favored    13     9  0.37    11  0.73  molprobity     1  True   
 14   14  tptm      -76.6   -64.3  Allowed    13     9  0.36    11  0.74  molprobity     1  True   
 15   15  OUTLIER   -64.5   -33.0  Favored     4     6  0.16     8  0.91  molprobity     1  True   
 16   16  ttp       -62.8   -53.6  Favored     9     8  0.36    10  1.03  molprobity     1  True   
 17   17  OUTLIER   -57.0   -39.7  Favored     8     9  0.42    12  0.73  molprobity     1  True   
 18   18  mptt      -62.2   -43.1  Favored    13     9  0.35    11  0.64  molprobity     1  True   
 19   19  t         -72.5   -32.5  Favored     4     6  0.22     8  0.96  molprobity     1  True   
 20   20  OUTLIER   -66.1   -40.0  Favored     6     8  0.43    11  0.71  molprobity     1  True   
 21   21  OUTLIER   -73.0   -43.2  Favored    13    11  0.74    14  0.78  molprobity     1  True   
 22   22  mt-10     -62.8   -35.8  Favored     6     9  1.39    12  0.75  molprobity     1  True   
 23   23  m-70      -81.8     6.1  Favored     7    11  0.46    15  0.69  molprobity     1  True   
 24   24  ?         -83.0    11.5  Favored     3     4  0.37     5  0.48  molprobity     ?  False  
 25   25  OUTLIER   -58.4  -104.7  OUTLIER     7    10  0.46    12  0.77  molprobity     ?  False  
 26   26  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 27   27  OUTLIER       ?       ?  ?           7     6  0.20     8  0.39  molprobity     ?  False  
 28   28  p        -144.6   -13.0  Allowed     4     6  0.19     8  0.92  molprobity     ?  False  
 29   29  tttp      -68.8   103.0  Allowed    13     9  0.35    11  0.74  molprobity     ?  False  
 30   30  ttmt       73.3   -16.7  Allowed    13     9  0.36    11  0.73  molprobity     ?  False  
 31   31  mt-10     -75.8    18.8  Allowed     6     9  1.42    12  0.76  molprobity     ?  False  
 32   32  p        -138.4    11.1  Favored     4     6  0.16     8  0.95  molprobity     1  True   
 33   33  p         -85.2   135.0  Favored     5     6  0.18     8  0.37  molprobity     1  True   
 34   34  ?        -120.2   -97.5  Allowed     3     4  0.36     5  0.49  molprobity     1  True   
 35   35  t        -115.4   -58.5  Favored     5     6  0.20     8  0.38  molprobity     1  True   
 36   36  mtm180   -129.4    26.6  Favored    13    11  0.72    14  0.80  molprobity     1  True   
 37   37  tmm_?    -141.2   126.8  Favored    13    11  0.73    14  0.80  molprobity     1  True   
 38   38  m        -160.2   -23.8  Allowed     7     7  0.22    10  0.72  molprobity     1  True   
 39   39  OUTLIER   -75.6   -16.6  Favored    13     9  0.37    11  0.74  molprobity     1  True   
 40   40  tttp      -61.3   -24.4  Favored    13     9  0.35    11  0.74  molprobity     1  True   
 41   41  OUTLIER  -126.4   -38.5  Favored     4     6  0.19     8  0.92  molprobity     1  True   
 42   42  ttm       -62.0   -31.4  Favored     9     8  0.34    10  0.99  molprobity     1  True   
 43   43  tp60      -77.5   -30.0  Favored     8     9  0.42    12  0.74  molprobity     1  True   
 44   44  mmtm      -78.5   -32.8  Favored    13     9  0.36    11  0.74  molprobity     1  True   
 45   45  m         -81.5   -38.6  Favored     4     6  0.16     8  0.97  molprobity     1  True   
 46   46  t30       -49.3   -34.4  Favored     6     8  0.42    11  0.71  molprobity     1  True   
 47   47  mmt180    -87.2   -56.3  Favored    13    11  0.72    14  0.80  molprobity     1  True   
 48   48  mt-10     -51.3   -39.8  Favored     6     9  1.44    12  0.73  molprobity     1  True   
 49   49  OUTLIER   -86.3     5.3  Favored     7    11  0.45    15  0.69  molprobity     1  True   
 50   50  ?         -86.2   -18.9  Favored     3     4  0.34     5  0.44  molprobity     ?  False  
 51   51  t-80      -41.1   144.6  Allowed     7    10  0.49    12  0.76  molprobity     ?  False  
 52   52  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 53   53  t             ?       ?  ?           7     6  0.22     8  0.37  molprobity     ?  False  
 54   54  p        -158.3   -21.2  Allowed     4     6  0.18     8  0.94  molprobity     ?  False  
 55   55  mttt      -82.2   -56.9  Favored    13     9  0.35    11  0.74  molprobity     ?  False  
 56   56  OUTLIER   -81.5    -8.6  Favored    13     9  0.35    11  0.74  molprobity     ?  False  
 57   57  mt-10     -92.4    16.8  Favored     6     9  1.40    12  0.75  molprobity     ?  False  
 58   58  t        -151.6   -27.8  Allowed     4     6  0.19     8  0.94  molprobity     1  True   
 59   59  t         -41.7   155.5  OUTLIER     5     6  0.17     8  0.38  molprobity     1  True   
 60   60  ?         -88.3   -97.6  Allowed     3     4  0.39     5  0.47  molprobity     1  True   
 61   61  p        -122.8   -17.7  Favored     5     6  0.21     8  0.38  molprobity     1  True   
 62   62  ptt85    -165.8   -12.5  OUTLIER    13    11  0.74    14  0.81  molprobity     1  True   
 63   63  ttm-85   -101.8   143.8  Favored    13    11  0.72    14  0.82  molprobity     1  True   
 64   64  m        -147.4   -29.3  Allowed     7     7  0.22    10  0.72  molprobity     1  True   
 65   65  mttp      -40.2   -24.3  OUTLIER    13     9  0.35    11  0.74  molprobity     1  True   
 66   66  tttt      -71.4   -68.0  Allowed    13     9  0.34    11  0.74  molprobity     1  True   
 67   67  OUTLIER   -64.6   -35.0  Favored     4     6  0.17     8  0.94  molprobity     1  True   
 68   68  ttt       -55.2   -60.6  Favored     9     8  0.35    10  1.01  molprobity     1  True   
 69   69  mp0       -53.1   -45.7  Favored     8     9  0.42    12  0.73  molprobity     1  True   
 70   70  mptp?     -61.5   -44.7  Favored    13     9  0.35    11  0.75  molprobity     1  True   
 71   71  t         -74.0   -21.9  Favored     4     6  0.15     8  0.94  molprobity     1  True   
 72   72  m-20      -75.9   -41.5  Favored     6     8  0.42    11  0.70  molprobity     1  True   
 73   73  OUTLIER   -72.7   -40.5  Favored    13    11  0.74    14  0.82  molprobity     1  True   
 74   74  mt-10     -73.4    -1.4  Favored     6     9  1.41    12  0.73  molprobity     1  True   
 75   75  OUTLIER   -80.7    -7.4  Favored     7    11  0.45    15  0.71  molprobity     1  True   
 76   76  ?         -80.3    16.3  Favored     3     4  0.40     5  0.47  molprobity     ?  False  
 77   77  OUTLIER   -71.1   150.7  Favored     7    10  0.47    12  0.76  molprobity     ?  False  
 78   78  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 79   79  OUTLIER       ?       ?  ?           7     6  0.19     8  0.37  molprobity     ?  False  
 80   80  OUTLIER  -158.6   -19.4  Allowed     4     6  0.15     8  0.94  molprobity     ?  False  
 81   81  mttm      -70.1   118.5  Favored    13     9  0.34    11  0.75  molprobity     ?  False  
 82   82  mttt       60.3     2.2  Allowed    13     9  0.36    11  0.74  molprobity     ?  False  
 83   83  mt-10    -105.6  -141.9  Allowed     6     9  1.41    12  0.73  molprobity     ?  False  
 84   84  t          44.0    20.5  OUTLIER     4     6  0.17     8  0.94  molprobity     1  True   
 85   85  OUTLIER   -81.1   139.1  Favored     5     6  0.24     8  0.36  molprobity     1  True   
 86   86  ?        -124.9  -119.7  Favored     3     4  0.35     5  0.48  molprobity     1  True   
 87   87  OUTLIER  -105.0    98.1  Favored     5     6  0.24     8  0.37  molprobity     1  True   
 88   88  mtm-85     55.6    25.2  Favored    13    11  0.72    14  0.81  molprobity     1  True   
 89   89  tmm_?    -144.0   132.8  Favored    13    11  0.73    14  0.78  molprobity     1  True   
 90   90  m        -162.0   -26.6  OUTLIER     7     7  0.23    10  0.71  molprobity     1  True   
 91   91  mttt      -71.5     1.2  Favored    13     9  0.38    11  0.75  molprobity     1  True   
 92   92  tptm      -80.1   -54.7  Favored    13     9  0.36    11  0.74  molprobity     1  True   
 93   93  p         -90.6   -32.8  Favored     4     6  0.19     8  0.95  molprobity     1  True   
 94   94  OUTLIER   -60.8   -43.0  Favored     9     8  0.36    10  1.00  molprobity     1  True   
 95   95  mm-40     -47.9   -65.6  Allowed     8     9  0.45    12  0.75  molprobity     1  True   
 96   96  OUTLIER   -52.9   -38.4  Favored    13     9  0.35    11  0.71  molprobity     1  True   
 97   97  t         -72.9   -25.5  Favored     4     6  0.18     8  0.95  molprobity     1  True   
 98   98  t30       -74.9   -29.6  Favored     6     8  0.41    11  0.71  molprobity     1  True   
 99   99  mtp180    -86.3   -37.5  Favored    13    11  0.73    14  0.81  molprobity     1  True   
100  100  mt-10     -67.2   -41.3  Favored     6     9  1.39    12  0.74  molprobity     1  True   
101  101  m-70      -90.2    14.8  Favored     7    11  0.46    15  0.71  molprobity     1  True   
102  102  ?         -93.1     8.9  Favored     3     4  0.39     5  0.46  molprobity     ?  False  
103  103  t60       -52.8   -58.4  Favored     7    10  0.46    12  0.75  molprobity     ?  False  
104  104  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
105  105  m             ?       ?  ?           7     6  0.25     8  0.39  molprobity     ?  False  
106  106  OUTLIER  -155.2   -26.0  Allowed     4     6  0.17     8  0.95  molprobity     ?  False  
107  107  mttt      -79.1   -55.6  Favored    13     9  0.35    11  0.73  molprobity     ?  False  
108  108  mttp      -86.5     1.6  Favored    13     9  0.36    11  0.74  molprobity     ?  False  
109  109  mm-40    -103.9     3.2  Favored     6     9  1.40    12  0.75  molprobity     ?  False  
110  110  p        -133.5   -37.7  Allowed     4     6  0.18     8  0.94  molprobity     1  True   
111  111  p         -52.9   173.4  OUTLIER     5     6  0.17     8  0.36  molprobity     1  True   
112  112  ?        -128.0   -88.3  Allowed     3     4  0.37     5  0.45  molprobity     1  True   
113  113  m        -151.2   -42.5  Allowed     5     6  0.17     8  0.36  molprobity     1  True   
114  114  ptt85    -115.9     8.4  Favored    13    11  0.73    14  0.80  molprobity     1  True   
115  115  OUTLIER  -144.1   155.1  Favored    13    11  0.75    14  0.79  molprobity     1  True   
116  116  m        -168.0   -22.2  OUTLIER     7     7  0.21    10  0.71  molprobity     1  True   
117  117  OUTLIER   -76.2     0.1  Favored    13     9  0.36    11  0.74  molprobity     1  True   
118  118  pttt      -76.0   -29.0  Favored    13     9  0.37    11  0.73  molprobity     1  True   
119  119  OUTLIER  -124.8   -32.9  Favored     4     6  0.19     8  0.94  molprobity     1  True   
120  120  ttp       -56.4   -37.9  Favored     9     8  0.35    10  0.97  molprobity     1  True   
121  121  tp60      -51.9   -61.3  Favored     8     9  0.41    12  0.74  molprobity     1  True   
122  122  OUTLIER   -60.4   -34.4  Favored    13     9  0.36    11  0.75  molprobity     1  True   
123  123  OUTLIER   -74.6   -20.5  Favored     4     6  0.16     8  0.92  molprobity     1  True   
124  124  t-20      -77.2   -37.9  Favored     6     8  0.43    11  0.71  molprobity     1  True   
125  125  OUTLIER   -73.1   -36.6  Favored    13    11  0.73    14  0.79  molprobity     1  True   
126  126  mt-10     -60.6   -29.0  Favored     6     9  1.39    12  0.75  molprobity     1  True   
127  127  OUTLIER   -89.2    -8.3  Favored     7    11  0.46    15  0.71  molprobity     1  True   
128  128  ?         -97.3    -3.9  Favored     3     4  0.38     5  0.46  molprobity     ?  False  
129  129  OUTLIER   -47.3   -63.1  Allowed     7    10  0.49    12  0.75  molprobity     ?  False  
130  130  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
131  131  m             ?       ?  ?           7     6  0.22     8  0.37  molprobity     ?  False  
132  132  t        -134.6   -36.9  Allowed     4     6  0.18     8  0.93  molprobity     ?  False  
133  133  ttpm?     -68.6   -66.2  Allowed    13     9  0.36    11  0.75  molprobity     ?  False  
134  134  ptpp?     -63.8   -30.6  Favored    13     9  0.35    11  0.75  molprobity     ?  False  
135  135  mm-40     -62.7   -51.5  Favored     6     9  1.43    12  0.73  molprobity     ?  False  
136  136  m         -65.7   -45.0  Favored     4     6  0.19     8  0.94  molprobity     1  True   
137  137  OUTLIER   -45.4   113.7  Allowed     5     6  0.18     8  0.39  molprobity     1  True   
138  138  ?         -93.8  -103.5  Allowed     3     4  0.34     5  0.49  molprobity     1  True   
139  139  p        -129.2   -64.1  Allowed     5     6  0.16     8  0.37  molprobity     1  True   
140  140  mmp_?    -106.2    19.4  Favored    13    11  0.74    14  0.82  molprobity     1  True   
141  141  OUTLIER  -154.3   156.7  Favored    13    11  0.76    14  0.81  molprobity     1  True   
142  142  m        -167.8   -26.0  OUTLIER     7     7  0.25    10  0.74  molprobity     1  True   
143  143  OUTLIER   -76.5     4.5  Favored    13     9  0.39    11  0.74  molprobity     1  True   
144  144  pttm      -73.6   -32.0  Favored    13     9  0.37    11  0.73  molprobity     1  True   
145  145  OUTLIER  -132.7   -24.9  Allowed     4     6  0.16     8  0.94  molprobity     1  True   
146  146  ttt       -60.0   -32.3  Favored     9     8  0.35    10  0.97  molprobity     1  True   
147  147  tp60      -54.5   -57.4  Favored     8     9  0.43    12  0.75  molprobity     1  True   
148  148  OUTLIER   -60.7   -39.1  Favored    13     9  0.37    11  0.75  molprobity     1  True   
149  149  OUTLIER   -74.7   -19.7  Favored     4     6  0.17     8  0.93  molprobity     1  True   
150  150  t-20      -78.0   -32.0  Favored     6     8  0.41    11  0.70  molprobity     1  True   
151  151  mtm180    -85.8   -36.2  Favored    13    11  0.74    14  0.79  molprobity     1  True   
152  152  mt-10     -79.3     6.7  Favored     6     9  1.40    12  0.76  molprobity     1  True   
153  153  OUTLIER   -60.4   -21.6  Favored     7    11  0.46    15  0.70  molprobity     1  True   
154  154  ?         -97.9    20.6  Favored     3     4  0.38     5  0.45  molprobity     ?  False  
155  155  OUTLIER   -59.6   -62.5  Allowed     7    10  0.48    12  0.77  molprobity     ?  False  
156  156  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
157  157  m             ?       ?  ?           7     6  0.21     8  0.39  molprobity     ?  False  
158  158  p        -157.2    -4.5  Allowed     4     6  0.14     8  0.94  molprobity     ?  False  
159  159  tptp      -75.3    85.4  Favored    13     9  0.34    11  0.75  molprobity     ?  False  
160  160  tttt       71.9    -8.3  Allowed    13     9  0.36    11  0.74  molprobity     ?  False  
161  161  mt-10     -73.6     2.3  Favored     6     9  1.42    12  0.76  molprobity     ?  False  
162  162  p        -114.4     4.0  Favored     4     6  0.18     8  0.94  molprobity     1  True   
163  163  m         -48.6   138.1  Favored     5     6  0.19     8  0.39  molprobity     1  True   
164  164  ?         -96.6  -122.2  Favored     3     4  0.31     5  0.48  molprobity     1  True   
165  165  p        -105.6   -59.3  Allowed     5     6  0.19     8  0.37  molprobity     1  True   
166  166  ptm180   -119.8    12.5  Favored    13    11  0.71    14  0.81  molprobity     1  True   
167  167  ttm-85   -134.5   153.5  Favored    13    11  0.72    14  0.80  molprobity     1  True   
168  168  m        -152.7   -29.4  Allowed     7     7  0.20    10  0.73  molprobity     1  True   
169  169  mttm      -64.3     5.4  Allowed    13     9  0.38    11  0.75  molprobity     1  True   
170  170  OUTLIER   -63.2   -57.6  Favored    13     9  0.35    11  0.75  molprobity     1  True   
171  171  OUTLIER  -116.2   -15.8  Favored     4     6  0.18     8  0.96  molprobity     1  True   
172  172  OUTLIER   -61.5   -49.0  Favored     9     8  0.37    10  1.00  molprobity     1  True   
173  173  OUTLIER   -54.1   -52.6  Favored     8     9  0.43    12  0.74  molprobity     1  True   
174  174  OUTLIER   -59.9   -42.8  Favored    13     9  0.36    11  0.73  molprobity     1  True   
175  175  m         -75.6   -14.4  Favored     4     6  0.19     8  0.91  molprobity     1  True   
176  176  t30       -90.4   -33.1  Favored     6     8  0.40    11  0.70  molprobity     1  True   
177  177  OUTLIER   -83.0   -49.3  Favored    13    11  0.75    14  0.80  molprobity     1  True   
178  178  mm-40     -59.9   -11.7  Favored     6     9  1.43    12  0.74  molprobity     1  True   
179  179  OUTLIER   -73.2   -13.2  Favored     7    11  0.46    15  0.70  molprobity     1  True   
180  180  ?         -87.1     6.0  Favored     3     4  0.38     5  0.43  molprobity     ?  False  
181  181  OUTLIER   -41.6   -42.4  Favored     7    10  0.48    12  0.77  molprobity     ?  False  
182  182  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
183  183  OUTLIER       ?       ?  ?           7     6  0.19     8  0.39  molprobity     ?  False  
184  184  m        -154.1    -1.3  Allowed     4     6  0.17     8  0.95  molprobity     ?  False  
185  185  mttm     -101.9   -70.7  Allowed    13     9  0.36    11  0.76  molprobity     ?  False  
186  186  pttt      -77.3    -0.5  Favored    13     9  0.36    11  0.74  molprobity     ?  False  
187  187  mm-40    -102.0    -7.0  Favored     6     9  1.39    12  0.75  molprobity     ?  False  
188  188  OUTLIER  -120.2   -27.6  Favored     4     6  0.17     8  0.94  molprobity     1  True   
189  189  OUTLIER   -40.0   146.7  Allowed     5     6  0.16     8  0.38  molprobity     1  True   
190  190  ?        -139.9   -99.7  Allowed     3     4  0.38     5  0.47  molprobity     1  True   
191  191  t         -99.1    90.1  Favored     5     6  0.20     8  0.38  molprobity     1  True   
192  192  mtm-85     50.9    10.9  Allowed    13    11  0.71    14  0.81  molprobity     1  True   
193  193  ttm180   -119.5   166.6  Favored    13    11  0.72    14  0.81  molprobity     1  True   
194  194  m        -164.9   -27.8  OUTLIER     7     7  0.20    10  0.71  molprobity     1  True   
195  195  OUTLIER   -71.0     1.5  Favored    13     9  0.36    11  0.74  molprobity     1  True   
196  196  pttt      -72.7   -35.4  Favored    13     9  0.35    11  0.74  molprobity     1  True   
197  197  OUTLIER  -122.4   -32.4  Favored     4     6  0.18     8  0.94  molprobity     1  True   
198  198  tmm?      -58.5   -29.2  Favored     9     8  0.36    10  1.02  molprobity     1  True   
199  199  OUTLIER   -64.0   -55.4  Favored     8     9  0.43    12  0.74  molprobity     1  True   
200  200  OUTLIER   -59.2   -34.6  Favored    13     9  0.36    11  0.74  molprobity     1  True   
201  201  t         -73.5   -29.8  Favored     4     6  0.17     8  0.94  molprobity     1  True   
202  202  t30       -69.0   -40.1  Favored     6     8  0.41    11  0.71  molprobity     1  True   
203  203  OUTLIER   -73.7   -43.0  Favored    13    11  0.73    14  0.82  molprobity     1  True   
204  204  mt-10     -43.8   -37.2  Favored     6     9  1.44    12  0.75  molprobity     1  True   
205  205  m170      -81.2   -49.2  Favored     7    11  0.47    15  0.70  molprobity     1  True   
206  206  ?         -79.6    18.6  Favored     3     4  0.38     5  0.46  molprobity     ?  False  
207  207  t60       -50.1   -40.7  Favored     7    10  0.48    12  0.76  molprobity     ?  False  
208  208  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
209  209  OUTLIER       ?       ?  ?           7     6  0.22     8  0.39  molprobity     ?  False  
210  210  OUTLIER  -151.1   -53.8  Allowed     4     6  0.16     8  0.94  molprobity     ?  False  
211  211  mtmt      -56.0   -83.2  OUTLIER    13     9  0.36    11  0.74  molprobity     ?  False  
212  212  mttm      -70.0    -4.9  Favored    13     9  0.35    11  0.76  molprobity     ?  False  
213  213  tp10      -83.4   -35.1  Favored     6     9  1.37    12  0.74  molprobity     ?  False  
214  214  t         -99.2   -28.8  Favored     4     6  0.19     8  0.96  molprobity     1  True   
215  215  t         -42.8   160.5  OUTLIER     5     6  0.18     8  0.39  molprobity     1  True   
216  216  ?        -104.1   -98.4  Favored     3     4  0.37     5  0.46  molprobity     1  True   
217  217  OUTLIER  -128.3   -60.4  Allowed     5     6  0.21     8  0.38  molprobity     1  True   
218  218  OUTLIER  -108.0   -12.6  Favored    13    11  0.73    14  0.82  molprobity     1  True   
219  219  tpt180   -106.9   145.2  Favored    13    11  0.71    14  0.80  molprobity     1  True   
220  220  m        -148.2   -33.8  Allowed     7     7  0.25    10  0.71  molprobity     1  True   
221  221  mptt      -59.5   -16.6  Favored    13     9  0.36    11  0.75  molprobity     1  True   
222  222  OUTLIER   -64.1   -38.0  Favored    13     9  0.37    11  0.75  molprobity     1  True   
223  223  OUTLIER  -107.9   -33.9  Favored     4     6  0.16     8  1.00  molprobity     1  True   
224  224  OUTLIER   -57.1   -44.6  Favored     9     8  0.35    10  1.01  molprobity     1  True   
225  225  tp60      -54.4   -49.5  Favored     8     9  0.41    12  0.73  molprobity     1  True   
226  226  OUTLIER   -60.7   -40.5  Favored    13     9  0.36    11  0.73  molprobity     1  True   
227  227  OUTLIER   -70.2   -29.6  Favored     4     6  0.15     8  0.96  molprobity     1  True   
228  228  OUTLIER   -75.0   -47.0  Favored     6     8  0.40    11  0.70  molprobity     1  True   
229  229  mmm180    -60.7   -62.1  Favored    13    11  0.72    14  0.81  molprobity     1  True   
230  230  OUTLIER   -50.5   -26.8  Favored     6     9  1.46    12  0.74  molprobity     1  True   
231  231  m80       -86.5    15.1  Favored     7    11  0.44    15  0.71  molprobity     1  True   
232  232  ?         -79.4    17.4  Favored     3     4  0.39     5  0.48  molprobity     ?  False  
233  233  p-80      -71.0    28.6  OUTLIER     7    10  0.48    12  0.77  molprobity     ?  False  
234  234  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
235  235  t             ?       ?  ?           7     6  0.19     8  0.38  molprobity     ?  False  
236  236  OUTLIER  -157.5   -11.4  Allowed     4     6  0.19     8  0.94  molprobity     ?  False  
237  237  tttt      -90.5   -60.7  Allowed    13     9  0.36    11  0.74  molprobity     ?  False  
238  238  OUTLIER   -75.5    -0.6  Favored    13     9  0.35    11  0.73  molprobity     ?  False  
239  239  mm-40    -110.3    18.1  Favored     6     9  1.41    12  0.74  molprobity     ?  False  
240  240  t        -142.0   -30.6  Allowed     4     6  0.16     8  0.92  molprobity     1  True   
241  241  OUTLIER   -41.9   140.2  Allowed     5     6  0.18     8  0.36  molprobity     1  True   
242  242  ?        -135.6  -119.8  Allowed     3     4  0.39     5  0.47  molprobity     1  True   
243  243  t         -83.5    86.8  Favored     5     6  0.19     8  0.37  molprobity     1  True   
244  244  mmp_?      52.0    22.7  Allowed    13    11  0.74    14  0.79  molprobity     1  True   
245  245  ttm180   -133.0   155.9  Favored    13    11  0.73    14  0.80  molprobity     1  True   
246  246  m        -155.4   -28.3  Allowed     7     7  0.18    10  0.72  molprobity     1  True   
247  247  mttp      -72.0     2.6  Favored    13     9  0.37    11  0.76  molprobity     1  True   
248  248  pttp      -68.4   -38.9  Favored    13     9  0.34    11  0.72  molprobity     1  True   
249  249  OUTLIER  -128.7   -28.2  Favored     4     6  0.19     8  0.93  molprobity     1  True   
250  250  ttp       -52.4   -44.1  Favored     9     8  0.36    10  0.98  molprobity     1  True   
251  251  mm-40     -54.8   -59.1  Favored     8     9  0.41    12  0.74  molprobity     1  True   
252  252  mptt      -56.1   -32.5  Favored    13     9  0.35    11  0.73  molprobity     1  True   
253  253  t         -75.0   -36.6  Favored     4     6  0.18     8  0.94  molprobity     1  True   
254  254  t-20      -61.2   -37.5  Favored     6     8  0.43    11  0.71  molprobity     1  True   
255  255  mtm180    -76.0   -41.0  Favored    13    11  0.73    14  0.81  molprobity     1  True   
256  256  mt-10     -69.0   -42.6  Favored     6     9  1.45    12  0.74  molprobity     1  True   
257  257  t60       -68.0    -2.5  Favored     7    11  0.45    15  0.71  molprobity     1  True   
258  258  ?         -81.6    15.9  Favored     3     4  0.35     5  0.48  molprobity     ?  False  
259  259  OUTLIER   -66.3   -58.9  Favored     7    10  0.48    12  0.76  molprobity     ?  False  
260  260  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
261  261  OUTLIER       ?       ?  ?           7     6  0.18     8  0.37  molprobity     ?  False  
262  262  OUTLIER  -147.6   -39.5  Allowed     4     6  0.16     8  0.93  molprobity     ?  False  
263  263  OUTLIER   -46.0   -96.8  OUTLIER    13     9  0.35    11  0.74  molprobity     ?  False  
264  264  ptpt      -81.3     3.8  Favored    13     9  0.37    11  0.74  molprobity     ?  False  
265  265  mm-40    -107.2    79.2  Allowed     6     9  1.41    12  0.74  molprobity     ?  False  
266  266  OUTLIER  -172.7   -37.2  OUTLIER     4     6  0.17     8  0.94  molprobity     1  True   
267  267  p         -40.6   141.6  Allowed     5     6  0.16     8  0.38  molprobity     1  True   
268  268  ?        -111.5   -43.9  Allowed     3     4  0.35     5  0.45  molprobity     1  True   
269  269  t         170.6   -61.7  OUTLIER     5     6  0.18     8  0.38  molprobity     1  True   
270  270  ptt-85   -109.9     3.6  Favored    13    11  0.72    14  0.82  molprobity     1  True   
271  271  tpp180   -139.7   138.7  Favored    13    11  0.74    14  0.82  molprobity     1  True   
272  272  m        -143.4   -23.8  Allowed     7     7  0.22    10  0.72  molprobity     1  True   
273  273  mttp      -71.4    -0.2  Favored    13     9  0.34    11  0.74  molprobity     1  True   
274  274  tttp      -65.3   -44.1  Favored    13     9  0.36    11  0.75  molprobity     1  True   
275  275  OUTLIER  -119.6   -31.0  Favored     4     6  0.17     8  0.94  molprobity     1  True   
276  276  tpt       -51.7   -42.6  Favored     9     8  0.35    10  1.00  molprobity     1  True   
277  277  tp60      -59.4   -55.1  Favored     8     9  0.42    12  0.74  molprobity     1  True   
278  278  OUTLIER   -53.8   -36.2  Favored    13     9  0.37    11  0.74  molprobity     1  True   
279  279  OUTLIER   -72.3   -39.2  Favored     4     6  0.18     8  0.93  molprobity     1  True   
280  280  OUTLIER   -60.9   -31.6  Favored     6     8  0.42    11  0.70  molprobity     1  True   
281  281  OUTLIER   -79.5   -42.5  Favored    13    11  0.75    14  0.81  molprobity     1  True   
282  282  mt-10     -69.8   -45.4  Favored     6     9  1.43    12  0.75  molprobity     1  True   
283  283  t-80      -76.4   -17.3  Favored     7    11  0.44    15  0.72  molprobity     1  True   
284  284  ?         -94.0    25.2  Favored     3     4  0.37     5  0.45  molprobity     ?  False  
285  285  t60       -89.8   -52.2  Favored     7    10  0.49    12  0.76  molprobity     ?  False  
286  286  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
287  287  p             ?       ?  ?           7     6  0.21     8  0.37  molprobity     ?  False  
288  288  t        -158.8   -38.9  Allowed     4     6  0.18     8  0.94  molprobity     ?  False  
289  289  OUTLIER   -63.3  -108.9  OUTLIER    13     9  0.37    11  0.75  molprobity     ?  False  
290  290  mttt      -60.1   -21.5  Favored    13     9  0.36    11  0.74  molprobity     ?  False  
291  291  tp10      -60.7   -18.8  Favored     6     9  1.42    12  0.73  molprobity     ?  False  
292  292  t         -77.8   -17.5  Favored     4     6  0.15     8  0.92  molprobity     1  True   
293  293  t         -54.9   115.9  Favored     5     6  0.18     8  0.39  molprobity     1  True   
294  294  ?        -104.2  -120.4  Favored     3     4  0.38     5  0.50  molprobity     1  True   
295  295  t        -120.7   116.2  Favored     5     6  0.18     8  0.38  molprobity     1  True   
296  296  mtm-85     56.8    20.9  Favored    13    11  0.76    14  0.82  molprobity     1  True   
297  297  tpp180   -151.7   145.5  Favored    13    11  0.76    14  0.82  molprobity     1  True   
298  298  m        -143.1   -32.0  Allowed     7     7  0.21    10  0.72  molprobity     1  True   
299  299  mttm      -64.7     0.3  Allowed    13     9  0.38    11  0.75  molprobity     1  True   
300  300  tptt      -53.5   -54.0  Favored    13     9  0.37    11  0.74  molprobity     1  True   
301  301  OUTLIER  -135.1   -10.2  Favored     4     6  0.17     8  0.94  molprobity     1  True   
302  302  OUTLIER   -46.4   -51.1  Favored     9     8  0.37    10  0.95  molprobity     1  True   
303  303  OUTLIER   -75.3   -43.6  Favored     8     9  0.42    12  0.77  molprobity     1  True   
304  304  mmtm      -62.8   -10.1  Favored    13     9  0.35    11  0.68  molprobity     1  True   
305  305  t        -104.5   -46.6  Favored     4     6  0.21     8  0.94  molprobity     1  True   
306  306  OUTLIER   -53.1   -30.9  Favored     6     8  0.41    11  0.71  molprobity     1  True   
307  307  OUTLIER   -54.6   -23.4  Favored    13    11  0.75    14  0.80  molprobity     1  True   
308  308  mt-10     -90.3   -58.1  Favored     6     9  1.40    12  0.75  molprobity     1  True   
309  309  t-80      -61.2   -13.0  Favored     7    11  0.46    15  0.70  molprobity     1  True   
310  310  ?         -85.1    -6.9  Favored     3     4  0.38     5  0.48  molprobity     ?  False  
311  311  t-80      -84.4   -30.7  Favored     7    10  0.47    12  0.76  molprobity     ?  False  
312  312  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
313  313  p             ?       ?  ?           7     6  0.18     8  0.39  molprobity     ?  False  
314  314  OUTLIER  -140.2   -45.5  Allowed     4     6  0.20     8  0.95  molprobity     ?  False  
315  315  mtmm      -53.4   111.4  Allowed    13     9  0.36    11  0.76  molprobity     ?  False  
316  316  tptp       72.7   -41.9  Allowed    13     9  0.36    11  0.74  molprobity     ?  False  
317  317  mt-10     -66.7  -146.6  OUTLIER     6     9  1.43    12  0.75  molprobity     ?  False  
318  318  OUTLIER    60.9     4.4  Allowed     4     6  0.16     8  0.93  molprobity     1  True   
319  319  OUTLIER   -78.8   106.3  Favored     5     6  0.16     8  0.38  molprobity     1  True   
320  320  ?         -97.1  -113.0  Favored     3     4  0.36     5  0.45  molprobity     1  True   
321  321  OUTLIER  -101.2    92.2  Favored     5     6  0.22     8  0.37  molprobity     1  True   
322  322  mtt180     56.1    23.2  Favored    13    11  0.73    14  0.80  molprobity     1  True   
323  323  tpp180   -139.9   141.8  Favored    13    11  0.72    14  0.82  molprobity     1  True   
324  324  m        -149.3   -23.9  Allowed     7     7  0.22    10  0.73  molprobity     1  True   
325  325  mptt      -78.2     3.4  Favored    13     9  0.38    11  0.74  molprobity     1  True   
326  326  pttp      -73.5   -33.2  Favored    13     9  0.34    11  0.73  molprobity     1  True   
327  327  p        -127.2   -32.2  Favored     4     6  0.16     8  0.92  molprobity     1  True   
328  328  ttt       -53.1   -39.6  Favored     9     8  0.37    10  1.01  molprobity     1  True   
329  329  mm-40     -58.2   -48.6  Favored     8     9  0.41    12  0.74  molprobity     1  True   
330  330  mptt      -59.6   -36.9  Favored    13     9  0.36    11  0.74  molprobity     1  True   
331  331  m         -72.0   -34.6  Favored     4     6  0.15     8  0.95  molprobity     1  True   
332  332  m120      -65.8   -39.8  Favored     6     8  0.42    11  0.70  molprobity     1  True   
333  333  OUTLIER   -68.4   -44.9  Favored    13    11  0.73    14  0.80  molprobity     1  True   
334  334  mt-10     -63.5   -56.0  Favored     6     9  1.40    12  0.74  molprobity     1  True   
335  335  OUTLIER   -69.3     8.2  Allowed     7    11  0.45    15  0.71  molprobity     1  True   
336  336  ?         -94.5    -4.7  Favored     3     4  0.36     5  0.46  molprobity     ?  False  
337  337  OUTLIER   -52.7   124.7  Favored     7    10  0.47    12  0.77  molprobity     ?  False  
338  338  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
339  339  p             ?       ?  ?           7     6  0.20     8  0.38  molprobity     ?  False  
340  340  t        -142.5   -13.2  Allowed     4     6  0.21     8  0.93  molprobity     ?  False  
341  341  mttp      -91.2   -62.4  Allowed    13     9  0.36    11  0.75  molprobity     ?  False  
342  342  OUTLIER   -76.9   -27.8  Favored    13     9  0.37    11  0.75  molprobity     ?  False  
343  343  mm-40     -79.2    22.3  Allowed     6     9  1.42    12  0.74  molprobity     ?  False  
344  344  t        -147.5   -39.5  Allowed     4     6  0.18     8  0.94  molprobity     1  True   
345  345  p         -47.4   158.9  Allowed     5     6  0.16     8  0.38  molprobity     1  True   
346  346  ?         -96.3   -78.4  Allowed     3     4  0.40     5  0.45  molprobity     1  True   
347  347  m        -141.7   -50.4  Allowed     5     6  0.18     8  0.37  molprobity     1  True   
348  348  mtt85    -131.2    12.5  Favored    13    11  0.72    14  0.80  molprobity     1  True   
349  349  tpp85    -134.8   156.1  Favored    13    11  0.74    14  0.81  molprobity     1  True   
350  350  m        -157.9   -31.9  Allowed     7     7  0.23    10  0.71  molprobity     1  True   
351  351  mttp      -45.6   -26.3  Allowed    13     9  0.36    11  0.75  molprobity     1  True   
352  352  pttm      -65.3   -41.1  Favored    13     9  0.36    11  0.75  molprobity     1  True   
353  353  t        -101.1   -16.4  Favored     4     6  0.18     8  0.96  molprobity     1  True   
354  354  ttm       -71.9   -37.4  Favored     9     8  0.34    10  0.99  molprobity     1  True   
355  355  OUTLIER   -64.6   -34.5  Favored     8     9  0.42    12  0.74  molprobity     1  True   
356  356  mmtm      -71.2   -43.7  Favored    13     9  0.32    11  0.72  molprobity     1  True   
357  357  t         -74.5   -19.7  Favored     4     6  0.19     8  0.96  molprobity     1  True   
358  358  t30       -80.2   -42.5  Favored     6     8  0.42    11  0.70  molprobity     1  True   
359  359  tpp85     -70.4   -46.3  Favored    13    11  0.73    14  0.80  molprobity     1  True   
360  360  mt-10     -62.4   -52.1  Favored     6     9  1.42    12  0.74  molprobity     1  True   
361  361  t60       -88.0    16.6  Favored     7    11  0.46    15  0.69  molprobity     1  True   
362  362  ?         -81.7    -2.7  Favored     3     4  0.38     5  0.48  molprobity     ?  False  
363  363  t60       -86.4   100.9  Favored     7    10  0.48    12  0.77  molprobity     ?  False  
364  364  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
365  365  m             ?       ?  ?           7     6  0.21     8  0.38  molprobity     ?  False  
366  366  t        -160.4   -76.9  Allowed     4     6  0.19     8  0.94  molprobity     ?  False  
367  367  OUTLIER   -58.6   -72.3  Allowed    13     9  0.38    11  0.73  molprobity     ?  False  
368  368  ptpp?     -64.0     1.8  Allowed    13     9  0.36    11  0.75  molprobity     ?  False  
369  369  tp10     -100.5   -42.5  Favored     6     9  1.40    12  0.74  molprobity     ?  False  
370  370  OUTLIER   -85.9   -26.0  Favored     4     6  0.16     8  0.93  molprobity     1  True   
371  371  t         -41.7   152.5  Allowed     5     6  0.18     8  0.38  molprobity     1  True   
372  372  ?        -106.3  -105.2  Favored     3     4  0.36     5  0.51  molprobity     1  True   
373  373  m        -121.3   -41.4  Favored     5     6  0.20     8  0.38  molprobity     1  True   
374  374  OUTLIER  -135.1     9.1  Favored    13    11  0.72    14  0.80  molprobity     1  True   
375  375  tpp180   -124.2   135.1  Favored    13    11  0.73    14  0.81  molprobity     1  True   
376  376  m        -159.8   -13.7  Allowed     7     7  0.22    10  0.70  molprobity     1  True   
377  377  mttm      -69.5     1.7  Favored    13     9  0.39    11  0.75  molprobity     1  True   
378  378  tttm      -92.0   -74.9  Allowed    13     9  0.37    11  0.75  molprobity     1  True   
379  379  m         -60.6   -34.7  Favored     4     6  0.17     8  0.92  molprobity     1  True   
380  380  ttt       -58.4   -55.1  Favored     9     8  0.37    10  0.99  molprobity     1  True   
381  381  OUTLIER   -55.9   -43.3  Favored     8     9  0.42    12  0.74  molprobity     1  True   
382  382  OUTLIER   -61.2   -43.1  Favored    13     9  0.35    11  0.68  molprobity     1  True   
383  383  OUTLIER   -72.3   -30.0  Favored     4     6  0.18     8  0.96  molprobity     1  True   
384  384  t-20      -65.2   -40.2  Favored     6     8  0.43    11  0.70  molprobity     1  True   
385  385  mtm180    -71.0   -40.3  Favored    13    11  0.72    14  0.81  molprobity     1  True   
386  386  mt-10     -67.7   -17.1  Favored     6     9  1.41    12  0.76  molprobity     1  True   
387  387  OUTLIER   -82.2   -34.7  Favored     7    11  0.46    15  0.70  molprobity     1  True   
388  388  ?         -86.4    -7.3  Favored     3     4  0.38     5  0.44  molprobity     ?  False  
389  389  t-80      -67.6   -57.5  Favored     7    10  0.48    12  0.77  molprobity     ?  False  
390  390  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
391  391  OUTLIER       ?       ?  ?           7     6  0.20     8  0.39  molprobity     ?  False  
392  392  OUTLIER  -140.8   -28.8  Allowed     4     6  0.17     8  0.94  molprobity     ?  False  
393  393  mttt      -70.1   105.7  Favored    13     9  0.36    11  0.74  molprobity     ?  False  
394  394  OUTLIER    63.0     1.3  Allowed    13     9  0.35    11  0.74  molprobity     ?  False  
395  395  mm-40     -99.6   -50.4  Favored     6     9  1.42    12  0.75  molprobity     ?  False  
396  396  t         -64.5   -17.1  Favored     4     6  0.16     8  0.94  molprobity     1  True   
397  397  t         -41.3   154.3  OUTLIER     5     6  0.18     8  0.39  molprobity     1  True   
398  398  ?         -99.2  -103.7  Favored     3     4  0.37     5  0.45  molprobity     1  True   
399  399  p        -111.2   -26.0  Favored     5     6  0.19     8  0.38  molprobity     1  True   
400  400  OUTLIER  -159.0    -8.6  Allowed    13    11  0.74    14  0.82  molprobity     1  True   
401  401  ttm105   -103.9   152.4  Favored    13    11  0.73    14  0.82  molprobity     1  True   
402  402  m        -157.2   -29.2  Allowed     7     7  0.22    10  0.72  molprobity     1  True   
403  403  mtmm      -47.1   -15.4  OUTLIER    13     9  0.35    11  0.74  molprobity     1  True   
404  404  tttm      -68.3   -68.0  Allowed    13     9  0.35    11  0.74  molprobity     1  True   
405  405  OUTLIER   -72.6   -37.5  Favored     4     6  0.18     8  0.94  molprobity     1  True   
406  406  tpt       -53.0   -57.0  Favored     9     8  0.36    10  1.00  molprobity     1  True   
407  407  OUTLIER   -61.7   -43.3  Favored     8     9  0.40    12  0.74  molprobity     1  True   
408  408  OUTLIER   -60.9   -35.8  Favored    13     9  0.34    11  0.73  molprobity     1  True   
409  409  m         -72.9   -38.9  Favored     4     6  0.18     8  0.94  molprobity     1  True   
410  410  OUTLIER   -60.4   -35.2  Favored     6     8  0.44    11  0.72  molprobity     1  True   
411  411  ttp180    -77.9   -50.2  Favored    13    11  0.71    14  0.80  molprobity     1  True   
412  412  mt-10     -47.5   -29.8  Favored     6     9  1.42    12  0.75  molprobity     1  True   
413  413  m-70      -78.3   -28.2  Favored     7    11  0.46    15  0.71  molprobity     1  True   
414  414  ?        -102.4    20.2  Favored     3     4  0.38     5  0.47  molprobity     ?  False  
415  415  t-80      -80.7   153.4  Favored     7    10  0.48    12  0.76  molprobity     ?  False  
416  416  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
417  417  m             ?       ?  ?           7     6  0.18     8  0.38  molprobity     ?  False  
418  418  m        -159.5  -102.1  OUTLIER     4     6  0.16     8  0.94  molprobity     ?  False  
419  419  mmtp       37.3   -96.4  OUTLIER    13     9  0.34    11  0.75  molprobity     ?  False  
420  420  tptt     -118.4    -2.2  Favored    13     9  0.38    11  0.68  molprobity     ?  False  
421  421  OUTLIER   -68.1     1.2  Favored     6     9  1.42    12  0.75  molprobity     ?  False  
422  422  p        -121.4    23.7  Favored     4     6  0.20     8  0.91  molprobity     1  True   
423  423  p         -63.8   123.1  Favored     5     6  0.16     8  0.39  molprobity     1  True   
424  424  ?        -104.5  -111.0  Favored     3     4  0.37     5  0.45  molprobity     1  True   
425  425  p        -109.7    98.6  Favored     5     6  0.22     8  0.37  molprobity     1  True   
426  426  mtp180     51.2    13.0  Allowed    13    11  0.72    14  0.79  molprobity     1  True   
427  427  ttm180   -128.6   149.9  Favored    13    11  0.72    14  0.79  molprobity     1  True   
428  428  m        -167.5   -24.9  OUTLIER     7     7  0.27    10  0.57  molprobity     1  True   
429  429  mttp      -56.4   -18.4  Favored    13     9  0.35    11  0.74  molprobity     1  True   
430  430  tttt      -67.2   -70.5  Allowed    13     9  0.37    11  0.74  molprobity     1  True   
431  431  OUTLIER   -64.1   -41.2  Favored     4     6  0.20     8  0.97  molprobity     1  True   
432  432  OUTLIER   -51.4   -61.6  Favored     9     8  0.37    10  1.00  molprobity     1  True   
433  433  OUTLIER   -55.9   -43.0  Favored     8     9  0.42    12  0.74  molprobity     1  True   
434  434  mptm?     -61.4   -42.5  Favored    13     9  0.40    11  0.64  molprobity     1  True   
435  435  m         -73.4   -35.9  Favored     4     6  0.18     8  0.98  molprobity     1  True   
436  436  OUTLIER   -64.6   -38.2  Favored     6     8  0.42    11  0.70  molprobity     1  True   
437  437  OUTLIER   -71.2   -47.7  Favored    13    11  0.72    14  0.78  molprobity     1  True   
438  438  mt-10     -60.0   -14.8  Favored     6     9  1.40    12  0.73  molprobity     1  True   
439  439  m80       -87.4    13.2  Favored     7    11  0.46    15  0.71  molprobity     1  True   
440  440  ?         -85.6    22.0  Favored     3     4  0.38     5  0.48  molprobity     ?  False  
441  441  OUTLIER   -79.5   -25.7  Favored     7    10  0.47    12  0.75  molprobity     ?  False  
442  442  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
443  443  OUTLIER       ?       ?  ?           7     6  0.18     8  0.38  molprobity     ?  False  
444  444  p        -160.1   -50.8  Allowed     4     6  0.15     8  0.96  molprobity     ?  False  
445  445  mttm      -50.3   -13.0  Allowed    13     9  0.34    11  0.74  molprobity     ?  False  
446  446  OUTLIER  -139.0   -11.4  Allowed    13     9  0.37    11  0.73  molprobity     ?  False  
447  447  mt-10    -105.7  -168.2  Allowed     6     9  1.43    12  0.73  molprobity     ?  False  
448  448  t          57.5     4.2  Allowed     4     6  0.17     8  0.95  molprobity     1  True   
449  449  OUTLIER   -64.8   115.7  Favored     5     6  0.18     8  0.38  molprobity     1  True   
450  450  ?        -105.0  -123.2  Favored     3     4  0.37     5  0.45  molprobity     1  True   
451  451  m         -66.8    71.0  Allowed     5     6  0.22     8  0.39  molprobity     1  True   
452  452  OUTLIER    54.7     7.1  Allowed    13    11  0.72    14  0.81  molprobity     1  True   
453  453  ttm180   -102.8   151.2  Favored    13    11  0.73    14  0.81  molprobity     1  True   
454  454  m        -152.3   -29.6  Allowed     7     7  0.22    10  0.72  molprobity     1  True   
455  455  mttp      -42.0   -24.0  OUTLIER    13     9  0.36    11  0.75  molprobity     1  True   
456  456  tppm?     -67.2   -65.7  Allowed    13     9  0.40    11  0.73  molprobity     1  True   
457  457  m         -70.0   -44.4  Favored     4     6  0.18     8  0.94  molprobity     1  True   
458  458  OUTLIER   -48.2   -52.7  Favored     9     8  0.38    10  1.01  molprobity     1  True   
459  459  mm-40     -62.3   -48.1  Favored     8     9  0.42    12  0.74  molprobity     1  True   
460  460  mptt      -62.2   -21.9  Favored    13     9  0.38    11  0.67  molprobity     1  True   
461  461  t         -90.8   -44.1  Favored     4     6  0.20     8  0.93  molprobity     1  True   
462  462  m120      -59.6   -27.1  Favored     6     8  0.41    11  0.73  molprobity     1  True   
463  463  OUTLIER   -65.3   -23.0  Favored    13    11  0.74    14  0.80  molprobity     1  True   
464  464  mt-10     -84.7    19.4  Favored     6     9  1.41    12  0.75  molprobity     1  True   
465  465  p80       -57.4   -10.6  Allowed     7    11  0.46    15  0.71  molprobity     1  True   
466  466  ?         -96.5    19.4  Favored     3     4  0.36     5  0.45  molprobity     ?  False  
467  467  t60       -55.7   -14.7  Favored     7    10  0.46    12  0.77  molprobity     ?  False  
468  468  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
469  469  OUTLIER       ?       ?  ?           7     6  0.20     8  0.39  molprobity     ?  False  
470  470  OUTLIER  -142.8   -37.0  Allowed     4     6  0.18     8  0.97  molprobity     ?  False  
471  471  mtpp      -70.2   125.4  Favored    13     9  0.35    11  0.75  molprobity     ?  False  
472  472  mttp       51.3    16.2  Allowed    13     9  0.35    11  0.73  molprobity     ?  False  
473  473  mm-40    -123.7    -2.7  Favored     6     9  1.42    12  0.75  molprobity     ?  False  
474  474  t        -112.3   -15.5  Favored     4     6  0.17     8  0.96  molprobity     1  True   
475  475  t         -43.0   134.2  Favored     5     6  0.18     8  0.39  molprobity     1  True   
476  476  ?         -88.8  -103.0  Allowed     3     4  0.34     5  0.48  molprobity     1  True   
477  477  m        -116.6   -10.2  Favored     5     6  0.23     8  0.39  molprobity     1  True   
478  478  ptp180   -175.6    -4.8  OUTLIER    13    11  0.72    14  0.81  molprobity     1  True   
479  479  tpp85    -107.2   144.4  Favored    13    11  0.74    14  0.83  molprobity     1  True   
480  480  m        -139.2   -26.7  Allowed     7     7  0.24    10  0.71  molprobity     1  True   
481  481  mtmt      -72.3     6.0  Favored    13     9  0.42    11  0.73  molprobity     1  True   
482  482  tttp      -75.2   -49.4  Favored    13     9  0.34    11  0.75  molprobity     1  True   
483  483  OUTLIER  -106.8   -30.9  Favored     4     6  0.15     8  0.94  molprobity     1  True   
484  484  tpt       -59.5   -39.3  Favored     9     8  0.37    10  1.00  molprobity     1  True   
485  485  mm-40     -56.0   -47.8  Favored     8     9  0.43    12  0.77  molprobity     1  True   
486  486  mmtm      -65.7   -36.4  Favored    13     9  0.34    11  0.67  molprobity     1  True   
487  487  m         -72.7   -35.8  Favored     4     6  0.20     8  0.92  molprobity     1  True   
488  488  OUTLIER   -60.9   -45.0  Favored     6     8  0.42    11  0.72  molprobity     1  True   
489  489  OUTLIER   -69.8   -45.2  Favored    13    11  0.73    14  0.79  molprobity     1  True   
490  490  mt-10     -62.3   -46.8  Favored     6     9  1.41    12  0.75  molprobity     1  True   
491  491  t-80      -89.7    17.6  Favored     7    11  0.46    15  0.70  molprobity     1  True   
492  492  ?        -132.3     4.0  Favored     3     4  0.37     5  0.47  molprobity     ?  False  
493  493  t-80      -54.9   137.7  Favored     7    10  0.48    12  0.77  molprobity     ?  False  
494  494  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
495  495  p             ?       ?  ?           7     6  0.18     8  0.37  molprobity     ?  False  
496  496  t        -155.6   -18.6  Allowed     4     6  0.18     8  0.94  molprobity     ?  False  
497  497  OUTLIER   -94.9   -71.8  Allowed    13     9  0.34    11  0.73  molprobity     ?  False  
498  498  OUTLIER   -98.3    52.1  Allowed    13     9  0.37    11  0.76  molprobity     ?  False  
499  499  OUTLIER   -90.0   -99.3  Allowed     6     9  1.45    12  0.65  molprobity     ?  False  
500  500  m         -68.2     7.1  Allowed     4     6  0.18     8  0.95  molprobity     1  True   
501  501  p         -48.4   106.8  Allowed     5     6  0.20     8  0.41  molprobity     1  True   
502  502  ?         -95.8  -115.8  Favored     3     4  0.35     5  0.47  molprobity     1  True   
503  503  m        -119.3   -20.6  Favored     5     6  0.20     8  0.38  molprobity     1  True   
504  504  OUTLIER  -156.0    -6.4  Allowed    13    11  0.73    14  0.80  molprobity     1  True   
505  505  ttm-85   -112.2   156.4  Favored    13    11  0.73    14  0.81  molprobity     1  True   
506  506  m        -165.5   -27.2  OUTLIER     7     7  0.22    10  0.71  molprobity     1  True   
507  507  mtpm?     -70.3     4.1  Favored    13     9  0.37    11  0.75  molprobity     1  True   
508  508  tttt      -67.2   -46.4  Favored    13     9  0.34    11  0.75  molprobity     1  True   
509  509  m        -122.3   -20.6  Favored     4     6  0.19     8  0.97  molprobity     1  True   
510  510  ttt       -64.6   -37.1  Favored     9     8  0.36    10  1.00  molprobity     1  True   
511  511  mm-40     -55.5   -57.7  Favored     8     9  0.42    12  0.74  molprobity     1  True   
512  512  mptp?     -56.2   -37.9  Favored    13     9  0.36    11  0.72  molprobity     1  True   
513  513  t         -75.4   -28.9  Favored     4     6  0.19     8  0.95  molprobity     1  True   
514  514  t-20      -76.7   -33.1  Favored     6     8  0.42    11  0.71  molprobity     1  True   
515  515  mtp-105   -77.4   -45.1  Favored    13    11  0.73    14  0.76  molprobity     1  True   
516  516  mt-10     -84.1    15.8  Favored     6     9  1.41    12  0.75  molprobity     1  True   
517  517  t60       -64.1     2.3  Allowed     7    11  0.46    15  0.70  molprobity     1  True   
518  518  ?         -80.1     9.1  Favored     3     4  0.39     5  0.52  molprobity     ?  False  
519  519  p80       -55.2   154.7  Favored     7    10  0.47    12  0.75  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    6  SG     1  0.57  2.78  
  2   11  NH1    1  0.57  2.78  
  3   19  SG     2  0.48  2.86  
  4   23  NE2    2  0.48  2.86  
  5   23  O      3  0.45  2.69  
  6   25  ND1    4  0.57  2.51  
  7   25  N      4  0.57  2.51  
  8   25  CE1    3  0.45  2.69  
  9   39  N      5  0.43  2.81  
 10   39  CD     5  0.43  2.81  
 11   41  SG     6  0.45  2.89  
 12   42  N      6  0.45  2.89  
 13   51  ND1    7  0.53  2.56  
 14   52  N      7  0.53  2.56  
 15   64  O      8  0.50  2.44  
 16   64  C      9  0.46  2.69  
 17   66  N      8  0.50  2.44  
 18   66  N      9  0.46  2.69  
 19   79  N     10  0.41  2.49  
 20   83  O     11  0.46  2.49  
 21   83  C     12  0.46  2.69  
 22   83  OE1   10  0.41  2.49  
 23   84  SG    13  0.47  2.72  
 24   84  O     13  0.47  2.72  
 25   85  N     11  0.46  2.49  
 26   85  N     12  0.46  2.69  
 27   94  O     14  0.49  2.44  
 28   96  N     15  0.52  2.71  
 29   96  CD    15  0.52  2.71  
 30   96  CD    16  0.44  2.23  
 31   96  H     16  0.44  2.23  
 32   98  N     14  0.49  2.44  
 33  110  SG    17  0.52  2.82  
 34  111  N     17  0.52  2.82  
 35  120  O     18  0.45  2.49  
 36  124  N     18  0.45  2.49  
 37  127  O     19  0.45  2.67  
 38  127  CG    19  0.45  2.67  
 39  139  OG    20  0.46  2.49  
 40  140  N     20  0.46  2.49  
 41  146  O     21  0.49  2.45  
 42  150  N     21  0.49  2.45  
 43  155  ND1   22  0.43  2.71  
 44  155  C     22  0.43  2.71  
 45  168  C     23  0.43  2.16  
 46  170  H     23  0.43  2.16  
 47  172  O     24  0.43  2.52  
 48  173  CA    25  0.46  2.22  
 49  173  HE21  25  0.46  2.22  
 50  176  N     24  0.43  2.52  
 51  179  O     26  0.47  2.63  
 52  179  O     27  0.45  2.68  
 53  179  CG    26  0.47  2.63  
 54  179  CD2   27  0.45  2.68  
 55  181  CD2   28  0.53  2.77  
 56  181  CD2   29  0.42  2.88  
 57  181  C     29  0.42  2.88  
 58  182  N     28  0.53  2.77  
 59  191  C     30  0.46  2.69  
 60  191  C     31  0.40  2.19  
 61  191  O     32  0.42  2.53  
 62  193  N     30  0.46  2.69  
 63  193  N     32  0.42  2.53  
 64  193  H     31  0.40  2.19  
 65  198  SD    33  0.44  2.96  
 66  198  C     33  0.44  2.96  
 67  201  O     34  0.46  2.68  
 68  205  CE1   34  0.46  2.68  
 69  221  N     35  0.47  2.78  
 70  221  CD    35  0.47  2.78  
 71  222  CG    36  0.43  2.81  
 72  223  N     36  0.43  2.81  
 73  226  O     37  0.40  2.40  
 74  227  O     38  0.48  2.66  
 75  227  O     39  0.43  2.52  
 76  229  O     40  0.40  2.50  
 77  230  N     41  0.54  2.41  
 78  230  OE1   41  0.54  2.41  
 79  230  OE2   37  0.40  2.40  
 80  231  CG    38  0.48  2.66  
 81  231  ND1   39  0.43  2.52  
 82  232  N     40  0.40  2.50  
 83  244  HE    42  0.58  1.40  
 84  244  HE    43  0.54  1.99  
 85  244  H     42  0.58  1.40  
 86  244  H     44  0.41  2.12  
 87  244  N     43  0.54  1.99  
 88  244  N     45  0.46  2.64  
 89  244  NE    45  0.46  2.64  
 90  244  NE    44  0.41  2.12  
 91  262  O     46  0.42  2.37  
 92  263  CG    47  0.48  2.21  
 93  263  O     46  0.42  2.37  
 94  264  H     47  0.48  2.21  
 95  278  N     48  0.45  2.79  
 96  278  CD    48  0.45  2.79  
 97  289  CG    49  0.47  2.21  
 98  289  CG    50  0.44  2.80  
 99  290  H     49  0.47  2.21  
100  290  N     50  0.44  2.80  
101  292  O     51  0.45  2.75  
102  292  SG    51  0.45  2.75  
103  292  SG    52  0.43  2.91  
104  301  N     52  0.43  2.91  
105  302  SD    53  0.49  2.71  
106  302  SD    54  0.45  2.95  
107  302  O     53  0.49  2.71  
108  302  C     54  0.45  2.95  
109  330  N     55  0.45  2.79  
110  330  CD    55  0.45  2.79  
111  352  O     56  0.50  2.42  
112  352  CG    57  0.40  2.85  
113  353  N     57  0.40  2.85  
114  355  CA    58  0.58  2.11  
115  355  CA    59  0.47  2.76  
116  355  HE21  58  0.58  2.11  
117  355  HE21  60  0.52  2.03  
118  355  N     60  0.52  2.03  
119  355  NE2   59  0.47  2.76  
120  356  NZ    56  0.50  2.42  
121  396  SG    61  0.47  2.72  
122  396  O     61  0.47  2.72  
123  402  C     62  0.45  2.68  
124  402  O     63  0.45  2.50  
125  404  N     62  0.45  2.68  
126  404  N     63  0.45  2.50  
127  411  O     64  0.46  2.49  
128  414  N     64  0.46  2.49  
129  417  O     65  0.48  2.72  
130  418  O     66  0.52  2.43  
131  418  O     67  0.42  2.52  
132  418  O     68  0.41  2.59  
133  418  SG    65  0.48  2.72  
134  419  C     68  0.41  2.59  
135  420  N     67  0.42  2.52  
136  421  N     66  0.52  2.43  
137  421  N     69  0.42  2.73  
138  421  CD    69  0.42  2.73  
139  425  C     70  0.42  2.72  
140  427  N     70  0.42  2.72  
141  444  C     71  0.44  2.70  
142  446  N     71  0.44  2.70  
143  447  C     72  0.42  2.73  
144  447  C     73  0.40  2.19  
145  449  N     72  0.42  2.73  
146  449  H     73  0.40  2.19  
147  450  O     74  0.42  2.51  
148  451  C     75  0.43  2.71  
149  451  C     76  0.41  2.19  
150  452  N     74  0.42  2.51  
151  453  N     75  0.43  2.71  
152  453  H     76  0.41  2.19  
153  454  C     77  0.45  2.70  
154  454  O     78  0.45  2.49  
155  456  N     77  0.45  2.70  
156  456  N     78  0.45  2.49  
157  467  O     79  0.50  2.64  
158  467  CG    79  0.50  2.64  
159  482  O     80  0.51  2.43  
160  486  NZ    80  0.51  2.43  
161  486  N     81  0.44  2.79  
162  486  CD    81  0.44  2.79  
163  499  N     82  0.54  2.40  
164  499  OE1   82  0.54  2.40  
165  499  CD    83  0.47  2.68  
166  499  CD    84  0.46  2.12  
167  500  N     83  0.47  2.68  
168  500  H     84  0.46  2.12  
169  510  O     85  0.44  2.50  
170  514  N     85  0.44  2.50  
171  519  ND1   86  0.45  2.69  
172  519  C     86  0.45  2.69  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1  ?     
 2  1  ?     
 3  1  ?     
 4  2  ?     
 5  1  ?     
 6  1  ?     
 7  1  ?     
 8  2  ?     
 9  1  ?     
10  2  True  
11  1  True  
12  2  ?     
13  2  ?     
14  1  ?     
15  1  ?     
16  3  ?     
17  3  True  
18  3  ?     
19  1  ?     
20  1  ?     
#
_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                0.580
_pdbx_vrpt_cyrange_domain.medoid_model        11
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.702
_pdbx_vrpt_cyrange_domain.residue_string      A:6-A:23
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           4
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        assigned_chem_shift_list_1
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           129
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           129
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            129
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  A  CYS   2  0.063  
 2  A  LYS   3  0.071  
 3  A  GLU   5  0.079  
 4  A  CYS   6  0.084  
 5  A  SER   7  0.186  
 6  A  GLY   8  0.285  
 7  A  SER   9  0.366  
 8  A  ARG  10  0.335  
 9  A  ARG  11  0.249  
10  A  THR  12  0.156  
11  A  LYS  13  0.071  
12  A  LYS  14  0.053  
13  A  CYS  15  0.049  
14  A  MET  16  0.050  
15  A  GLN  17  0.054  
16  A  LYS  18  0.058  
17  A  CYS  19  0.077  
18  A  ASN  20  0.096  
19  A  ARG  21  0.134  
20  A  GLU  22  0.169  
21  A  HIS  23  0.218  
22  A  GLY  24  0.254  
23  A  HIS  25  0.275  
#
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  0  
3  CB  0.50  0.00  0.00  0  
4  N   0.50  0.00  0.00  0  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1  103  147  250  overall    Total  
 2   37   54   91  backbone   Total  
 3   66   85  151  sidechain  Total  
 4    0    8    8  aromatic   Total  
 5  103   32  135  overall    H      
 6   37    0   37  backbone   H      
 7   66   28   94  sidechain  H      
 8    0    4    4  aromatic   H      
 9    0   81   81  overall    C      
10    0   36   36  backbone   C      
11    0   43   43  sidechain  C      
12    0    2    2  aromatic   C      
13    0   34   34  overall    N      
14    0   18   18  backbone   N      
15    0   14   14  sidechain  N      
16    0    2    2  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  128  208  336  overall    Total  
 2   48   79  127  backbone   Total  
 3   80  113  193  sidechain  Total  
 4    0   16   16  aromatic   Total  
 5  128   52  180  overall    H      
 6   48    4   52  backbone   H      
 7   80   40  120  sidechain  H      
 8    0    8    8  aromatic   H      
 9    0  111  111  overall    C      
10    0   50   50  backbone   C      
11    0   57   57  sidechain  C      
12    0    4    4  aromatic   C      
13    0   45   45  overall    N      
14    0   25   25  backbone   N      
15    0   16   16  sidechain  N      
16    0    4    4  aromatic   N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    246  
 2  "Intra-residue (|i-j|=0)"                       95  
 3  "Sequential (|i-j|=1)"                          80  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            70  
 5  "Long range (|i-j|>=5)"                          1  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 0  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"                8  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             9.8  
12  "Number of long range restraints per residue"  0.0  
#
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                  95   38.6  0  0.0  0.0  2  0.8  2.1  
 2  Intra-residue  BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain    93   37.8  0  0.0  0.0  2  0.8  2.2  
 4  Intra-residue  SidechainSidechain    2    0.8  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                  80   32.5  0  0.0  0.0  5  2.0  6.2  
 6  Sequential     BackboneBackbone     25   10.2  0  0.0  0.0  1  0.4  4.0  
 7  Sequential     BackboneSidechain    48   19.5  0  0.0  0.0  4  1.6  8.3  
 8  Sequential     SidechainSidechain    7    2.8  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                  70   28.5  0  0.0  0.0  2  0.8  2.9  
10  MediumRange    BackboneBackbone     17    6.9  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain    42   17.1  0  0.0  0.0  2  0.8  4.8  
12  MediumRange    SidechainSidechain   11    4.5  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                   1    0.4  0  0.0  0.0  0  0.0  0.0  
14  LongRange      BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain     1    0.4  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
17  InterChain     all                   0    0.0  0  0.0  0.0  0  0.0  0.0  
18  InterChain     BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0  0.0  
19  InterChain     BackboneSidechain     0    0.0  0  0.0  0.0  0  0.0  0.0  
20  InterChain     SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
21  HydrogenBond   all                   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                 246  100.0  0  0.0  0.0  9  3.7  3.7  
24  Total          BackboneBackbone     42   17.1  0  0.0  0.0  1  0.4  2.4  
25  Total          BackboneSidechain   184   74.8  0  0.0  0.0  8  3.3  4.3  
26  Total          SidechainSidechain   20    8.1  0  0.0  0.0  0  0.0  0.0  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  0.00  0.00  0.00  0.00  
 2   2  0.11  0.11  0.11  0.00  
 3   3  0.13  0.13  0.13  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.12  0.12  0.12  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.00  0.00  0.00  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.15  0.12  0.11  0.02  
10  10  0.00  0.00  0.00  0.00  
11  11  0.13  0.13  0.13  0.00  
12  12  0.24  0.24  0.24  0.00  
13  13  0.11  0.11  0.11  0.00  
14  14  0.19  0.19  0.19  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.17  0.15  0.15  0.03  
17  17  0.20  0.16  0.16  0.05  
18  18  0.00  0.00  0.00  0.00  
19  19  0.13  0.13  0.13  0.00  
20  20  0.00  0.00  0.00  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    1  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         1  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        1  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         1  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    2  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         2  
 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        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  1  
 50   9  sequential    1  
 51   9  medium        1  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         3  
 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    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    0  
 75  13  medium        1  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         1  
 79  14  intraresidue  0  
 80  14  sequential    1  
 81  14  medium        1  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         2  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    1  
 93  16  medium        1  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         2  
 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    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    1  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         1  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
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  2  
  2   1  sequential    3  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         5  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        1  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         1  
 13   3  intraresidue  0  
 14   3  sequential    2  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         2  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        1  
 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        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  0.2   0.1   
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  202  1  .  A  12  THR  ?     1  A  12  HA   A  .  16  MET  16  A  1  ?     HB2  4  0.17  0.18  0.03  
2  202  1  .  A  12  THR  ?     1  A  12  HA   A  .  16  MET  16  A  1  ?     HB3  4  0.17  0.18  0.03  
3   49  1  .  A  17  GLN  ?     1  A  17  H    A  .  18  LYS  18  A  1  ?     HD2  3  0.18  0.19  0.05  
4  162  1  .  A  19  CYS  ?     1  A  19  H    A  .  20  ASN  20  A  1  ?     H    3  0.12  0.12  0.01  
5  134  1  .  A  11  ARG  ?     1  A  11  HB2  A  .  13  LYS  13  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   49  1  303  304  H    HD2  0.24  
 2  202  1  428  432  HA   HB2  0.20  
 3  202  1  428  432  HA   HB3  0.20  
 4   49  1  355  356  H    HD2  0.19  
 5  202  1  350  354  HA   HB2  0.19  
 6  202  1  350  354  HA   HB3  0.19  
 7  202  1  402  406  HA   HB2  0.17  
 8  202  1  402  406  HA   HB3  0.17  
 9   18  1  230  230  HA   HG2  0.15  
10   64  1  481  482  HB2  H    0.13  
11  202  1   64   68  HA   HB2  0.13  
12  202  1   64   68  HA   HB3  0.13  
13  162  1  279  280  H    H    0.13  
14  162  1  409  410  H    H    0.12  
15  126  1  115  116  HD2  H    0.12  
16   85  1  419  419  H    HB3  0.11  
17   49  1   43   44  H    HD2  0.11  
18  216  1  118  119  HB2  H    0.11  
19  216  1  118  119  HB3  H    0.11  
20  162  1  227  228  H    H    0.11  
21  134  1  219  221  HB2  H    0.11  
22  134  1  323  325  HB2  H    0.11  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  PHI    8  100.0  0  0.0  0.0  0  0.0  0.0  
2  Total  8  100.0  0  0.0  0.0  0  0.0  0.0  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  0.00  0.00  0.00  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.00  0.00  0.00  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.00  0.00  0.00  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  0.00  0.00  0.00  0.00  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PHI    0  
 2   1  Total  0  
 3   2  PHI    0  
 4   2  Total  0  
 5   3  PHI    0  
 6   3  Total  0  
 7   4  PHI    0  
 8   4  Total  0  
 9   5  PHI    0  
10   5  Total  0  
11   6  PHI    0  
12   6  Total  0  
13   7  PHI    0  
14   7  Total  0  
15   8  PHI    0  
16   8  Total  0  
17   9  PHI    0  
18   9  Total  0  
19  10  PHI    0  
20  10  Total  0  
21  11  PHI    0  
22  11  Total  0  
23  12  PHI    0  
24  12  Total  0  
25  13  PHI    0  
26  13  Total  0  
27  14  PHI    0  
28  14  Total  0  
29  15  PHI    0  
30  15  Total  0  
31  16  PHI    0  
32  16  Total  0  
33  17  PHI    0  
34  17  Total  0  
35  18  PHI    0  
36  18  Total  0  
37  19  PHI    0  
38  19  Total  0  
39  20  PHI    0  
40  20  Total  0  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PHI    0  
 2   1  Total  0  
 3   2  PHI    0  
 4   2  Total  0  
 5   3  PHI    0  
 6   3  Total  0  
 7   4  PHI    0  
 8   4  Total  0  
 9   5  PHI    0  
10   5  Total  0  
11   6  PHI    0  
12   6  Total  0  
13   7  PHI    0  
14   7  Total  0  
15   8  PHI    0  
16   8  Total  0  
17   9  PHI    0  
18   9  Total  0  
19  10  PHI    0  
20  10  Total  0  
21  11  PHI    0  
22  11  Total  0  
23  12  PHI    0  
24  12  Total  0  
25  13  PHI    0  
26  13  Total  0  
27  14  PHI    0  
28  14  Total  0  
29  15  PHI    0  
30  15  Total  0  
31  16  PHI    0  
32  16  Total  0  
33  17  PHI    0  
34  17  Total  0  
35  18  PHI    0  
36  18  Total  0  
37  19  PHI    0  
38  19  Total  0  
39  20  PHI    0  
40  20  Total  0  
#
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                  unknown                                                               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  
##
