data_2RTY

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2RTY   
BMRB  11535  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2RTY
_pdbx_vrpt_summary.PDB_deposition_date         2013-10-16
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-04:14:01
_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  navitoxin
#
_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   78.64  158937  ?     ?     
2  2  1   74.32   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3    0.69  154315  ?     ?     
6  2  3    8.34   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A    0.40  
 4  6  3  A   1  1  A    0.40  
 5  3  2  A   2  1  A    3.21  
 6  4  2  A   2  1  A    3.21  
 7  5  3  A   2  1  A    0.40  
 8  6  3  A   2  1  A    0.40  
 9  3  2  A   3  1  A    3.21  
10  4  2  A   3  1  A    3.21  
11  5  3  A   3  1  A    0.20  
12  6  3  A   3  1  A    0.20  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A    0.89  
16  6  3  A   4  1  A    0.89  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A    0.11  
20  6  3  A   5  1  A    0.11  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A    0.20  
24  6  3  A   6  1  A    0.20  
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    1.91  
28  6  3  A   7  1  A    1.91  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A    0.20  
32  6  3  A   8  1  A    0.20  
33  3  2  A   9  1  A    3.21  
34  4  2  A   9  1  A    3.21  
35  5  3  A   9  1  A    0.40  
36  6  3  A   9  1  A    0.40  
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    0.89  
40  6  3  A  10  1  A    0.89  
41  3  2  A  11  1  A  100.00  
42  4  2  A  11  1  A  100.00  
43  5  3  A  11  1  A    0.11  
44  6  3  A  11  1  A    0.11  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A    0.89  
48  6  3  A  12  1  A    0.89  
49  3  2  A  13  1  A  100.00  
50  4  2  A  13  1  A  100.00  
51  5  3  A  13  1  A    0.11  
52  6  3  A  13  1  A    0.11  
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    0.20  
56  6  3  A  14  1  A    0.20  
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    0.40  
60  6  3  A  15  1  A    0.40  
61  3  2  A  16  1  A  100.00  
62  4  2  A  16  1  A  100.00  
63  5  3  A  16  1  A    0.05  
64  6  3  A  16  1  A    0.05  
65  3  2  A  17  1  A    3.21  
66  4  2  A  17  1  A    3.21  
67  5  3  A  17  1  A    0.40  
68  6  3  A  17  1  A    0.40  
69  3  2  A  18  1  A    3.21  
70  4  2  A  18  1  A    3.21  
71  5  3  A  18  1  A    0.40  
72  6  3  A  18  1  A    0.40  
73  3  2  A  19  1  A    3.21  
74  4  2  A  19  1  A    3.21  
75  5  3  A  19  1  A    0.11  
76  6  3  A  19  1  A    0.11  
77  3  2  A  20  1  A  100.00  
78  4  2  A  20  1  A  100.00  
79  5  3  A  20  1  A    0.03  
80  6  3  A  20  1  A    0.03  
#
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  0.27  0.19  223  293  
 2   2  1  A  A  0.27  0.20  223  293  
 3   3  1  A  A  0.27  0.19  223  293  
 4   4  1  A  A  0.27  0.20  223  293  
 5   5  1  A  A  0.27  0.19  223  293  
 6   6  1  A  A  0.27  0.19  223  293  
 7   7  1  A  A  0.26  0.20  223  293  
 8   8  1  A  A  0.27  0.19  223  293  
 9   9  1  A  A  0.26  0.19  223  293  
10  10  1  A  A  0.26  0.19  223  293  
11  11  1  A  A  0.27  0.19  223  293  
12  12  1  A  A  0.27  0.19  223  293  
13  13  1  A  A  0.26  0.19  223  293  
14  14  1  A  A  0.26  0.19  223  293  
15  15  1  A  A  0.27  0.19  223  293  
16  16  1  A  A  0.26  0.19  223  293  
17  17  1  A  A  0.27  0.19  223  293  
18  18  1  A  A  0.26  0.19  223  293  
19  19  1  A  A  0.27  0.19  223  293  
20  20  1  A  A  0.26  0.19  223  293  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  1.07
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   35.77
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       27.92
_pdbx_vrpt_summary_geometry.clashscore                                 2.76
_pdbx_vrpt_summary_geometry.clashscore_full_length                     7.90
_pdbx_vrpt_summary_geometry.num_H_reduce                               4412
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             4460
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.19
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            5860
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.27
#
_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            12
_pdbx_vrpt_summary_nmr.medoid_model                             15
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              0
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              4
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              48.95
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  48.56
#
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  PHE  A   1  .  ?        ?  
  2   1  1  A   2  SER  A   2  .  ?        ?  
  3   1  1  A   3  CYS  A   3  .  ?        ?  
  4   1  1  A   4  ASP  A   4  .  ?        ?  
  5   1  1  A   5  HIS  A   5  .  ?        ?  
  6   1  1  A   6  SER  A   6  .  ?        ?  
  7   1  1  A   7  ALA  A   7  .  ?        ?  
  8   1  1  A   8  CYS  A   8  .  ?        ?  
  9   1  1  A   9  ALA  A   9  .  ?        ?  
 10   1  1  A  10  VAL  A  10  .  ?        1  
 11   1  1  A  11  ARG  A  11  .  ?        ?  
 12   1  1  A  12  CYS  A  12  .  ?        ?  
 13   1  1  A  13  LEU  A  13  .  ?        1  
 14   1  1  A  14  ALA  A  14  .  ?        ?  
 15   1  1  A  15  GLN  A  15  .  ?        ?  
 16   1  1  A  16  ARG  A  16  .  ?        ?  
 17   1  1  A  17  ARG  A  17  .  ?        ?  
 18   1  1  A  18  LYS  A  18  .  ?        ?  
 19   1  1  A  19  GLY  A  19  .  ?        ?  
 20   1  1  A  20  GLY  A  20  .  ?        ?  
 21   1  1  A  21  LYS  A  21  .  ?        ?  
 22   1  1  A  22  CYS  A  22  .  ?        ?  
 23   1  1  A  23  LYS  A  23  .  ?        ?  
 24   1  1  A  24  ASN  A  24  .  ?        ?  
 25   1  1  A  25  GLY  A  25  .  ?        ?  
 26   1  1  A  26  ASP  A  26  .  ?        ?  
 27   1  1  A  27  CYS  A  27  .  ?        ?  
 28   1  1  A  28  VAL  A  28  .  ?        ?  
 29   1  1  A  29  CYS  A  29  .  ?        ?  
 30   1  1  A  30  ARG  A  30  .  ?        ?  
 31   2  1  A   1  PHE  A   1  .  ?        ?  
 32   2  1  A   2  SER  A   2  .  ?        ?  
 33   2  1  A   3  CYS  A   3  .  ?        2  
 34   2  1  A   4  ASP  A   4  .  ?        ?  
 35   2  1  A   5  HIS  A   5  .  ?        ?  
 36   2  1  A   6  SER  A   6  .  ?        ?  
 37   2  1  A   7  ALA  A   7  .  ?        ?  
 38   2  1  A   8  CYS  A   8  .  ?        1  
 39   2  1  A   9  ALA  A   9  .  ?        ?  
 40   2  1  A  10  VAL  A  10  .  ?        1  
 41   2  1  A  11  ARG  A  11  .  ?        ?  
 42   2  1  A  12  CYS  A  12  .  ?        ?  
 43   2  1  A  13  LEU  A  13  .  ?        1  
 44   2  1  A  14  ALA  A  14  .  ?        ?  
 45   2  1  A  15  GLN  A  15  .  ?        ?  
 46   2  1  A  16  ARG  A  16  .  ?        ?  
 47   2  1  A  17  ARG  A  17  .  ?        ?  
 48   2  1  A  18  LYS  A  18  .  ?        ?  
 49   2  1  A  19  GLY  A  19  .  ?        ?  
 50   2  1  A  20  GLY  A  20  .  ?        ?  
 51   2  1  A  21  LYS  A  21  .  ?        ?  
 52   2  1  A  22  CYS  A  22  .  ?        2  
 53   2  1  A  23  LYS  A  23  .  ?        ?  
 54   2  1  A  24  ASN  A  24  .  ?        ?  
 55   2  1  A  25  GLY  A  25  .  ?        ?  
 56   2  1  A  26  ASP  A  26  .  ?        ?  
 57   2  1  A  27  CYS  A  27  .  ?        1  
 58   2  1  A  28  VAL  A  28  .  ?        ?  
 59   2  1  A  29  CYS  A  29  .  ?        ?  
 60   2  1  A  30  ARG  A  30  .  ?        ?  
 61   3  1  A   1  PHE  A   1  .  ?        ?  
 62   3  1  A   2  SER  A   2  .  ?        ?  
 63   3  1  A   3  CYS  A   3  .  ?        ?  
 64   3  1  A   4  ASP  A   4  .  ?        ?  
 65   3  1  A   5  HIS  A   5  .  ?        ?  
 66   3  1  A   6  SER  A   6  .  ?        ?  
 67   3  1  A   7  ALA  A   7  .  ?        ?  
 68   3  1  A   8  CYS  A   8  .  ?        ?  
 69   3  1  A   9  ALA  A   9  .  ?        ?  
 70   3  1  A  10  VAL  A  10  .  ?        1  
 71   3  1  A  11  ARG  A  11  .  ?        ?  
 72   3  1  A  12  CYS  A  12  .  ?        ?  
 73   3  1  A  13  LEU  A  13  .  ?        1  
 74   3  1  A  14  ALA  A  14  .  ?        ?  
 75   3  1  A  15  GLN  A  15  .  ?        ?  
 76   3  1  A  16  ARG  A  16  .  ?        ?  
 77   3  1  A  17  ARG  A  17  .  ?        ?  
 78   3  1  A  18  LYS  A  18  .  ?        ?  
 79   3  1  A  19  GLY  A  19  .  ?        ?  
 80   3  1  A  20  GLY  A  20  .  ?        ?  
 81   3  1  A  21  LYS  A  21  .  ?        ?  
 82   3  1  A  22  CYS  A  22  .  ?        ?  
 83   3  1  A  23  LYS  A  23  .  ?        ?  
 84   3  1  A  24  ASN  A  24  .  ?        ?  
 85   3  1  A  25  GLY  A  25  .  ?        ?  
 86   3  1  A  26  ASP  A  26  .  ?        ?  
 87   3  1  A  27  CYS  A  27  .  ?        ?  
 88   3  1  A  28  VAL  A  28  .  ?        ?  
 89   3  1  A  29  CYS  A  29  .  ?        ?  
 90   3  1  A  30  ARG  A  30  .  ?        ?  
 91   4  1  A   1  PHE  A   1  .  ?        ?  
 92   4  1  A   2  SER  A   2  .  ?        ?  
 93   4  1  A   3  CYS  A   3  .  ?        2  
 94   4  1  A   4  ASP  A   4  .  ?        ?  
 95   4  1  A   5  HIS  A   5  .  ?        ?  
 96   4  1  A   6  SER  A   6  .  ?        ?  
 97   4  1  A   7  ALA  A   7  .  ?        ?  
 98   4  1  A   8  CYS  A   8  .  ?        2  
 99   4  1  A   9  ALA  A   9  .  ?        ?  
100   4  1  A  10  VAL  A  10  .  ?        1  
101   4  1  A  11  ARG  A  11  .  ?        ?  
102   4  1  A  12  CYS  A  12  .  ?        ?  
103   4  1  A  13  LEU  A  13  .  ?        1  
104   4  1  A  14  ALA  A  14  .  ?        ?  
105   4  1  A  15  GLN  A  15  .  ?        ?  
106   4  1  A  16  ARG  A  16  .  ?        ?  
107   4  1  A  17  ARG  A  17  .  ?        ?  
108   4  1  A  18  LYS  A  18  .  ?        ?  
109   4  1  A  19  GLY  A  19  .  ?        ?  
110   4  1  A  20  GLY  A  20  .  ?        ?  
111   4  1  A  21  LYS  A  21  .  ?        ?  
112   4  1  A  22  CYS  A  22  .  ?        2  
113   4  1  A  23  LYS  A  23  .  ?        ?  
114   4  1  A  24  ASN  A  24  .  ?        ?  
115   4  1  A  25  GLY  A  25  .  ?        ?  
116   4  1  A  26  ASP  A  26  .  ?        ?  
117   4  1  A  27  CYS  A  27  .  ?        2  
118   4  1  A  28  VAL  A  28  .  ?        ?  
119   4  1  A  29  CYS  A  29  .  ?        ?  
120   4  1  A  30  ARG  A  30  .  ?        ?  
121   5  1  A   1  PHE  A   1  .  ?        ?  
122   5  1  A   2  SER  A   2  .  ?        ?  
123   5  1  A   3  CYS  A   3  .  ?        ?  
124   5  1  A   4  ASP  A   4  .  ?        ?  
125   5  1  A   5  HIS  A   5  .  ?        ?  
126   5  1  A   6  SER  A   6  .  ?        ?  
127   5  1  A   7  ALA  A   7  .  ?        ?  
128   5  1  A   8  CYS  A   8  .  ?        1  
129   5  1  A   9  ALA  A   9  .  ?        ?  
130   5  1  A  10  VAL  A  10  .  ?        ?  
131   5  1  A  11  ARG  A  11  .  ?        ?  
132   5  1  A  12  CYS  A  12  .  ?        ?  
133   5  1  A  13  LEU  A  13  .  ?        ?  
134   5  1  A  14  ALA  A  14  .  ?        ?  
135   5  1  A  15  GLN  A  15  .  ?        ?  
136   5  1  A  16  ARG  A  16  .  ?        ?  
137   5  1  A  17  ARG  A  17  .  ?        ?  
138   5  1  A  18  LYS  A  18  .  ?        ?  
139   5  1  A  19  GLY  A  19  .  ?        ?  
140   5  1  A  20  GLY  A  20  .  ?        ?  
141   5  1  A  21  LYS  A  21  .  ?        ?  
142   5  1  A  22  CYS  A  22  .  ?        ?  
143   5  1  A  23  LYS  A  23  .  ?        ?  
144   5  1  A  24  ASN  A  24  .  ?        ?  
145   5  1  A  25  GLY  A  25  .  ?        ?  
146   5  1  A  26  ASP  A  26  .  ?        ?  
147   5  1  A  27  CYS  A  27  .  ?        1  
148   5  1  A  28  VAL  A  28  .  ?        ?  
149   5  1  A  29  CYS  A  29  .  ?        ?  
150   5  1  A  30  ARG  A  30  .  ?        ?  
151   6  1  A   1  PHE  A   1  .  ?        ?  
152   6  1  A   2  SER  A   2  .  ?        ?  
153   6  1  A   3  CYS  A   3  .  ?        1  
154   6  1  A   4  ASP  A   4  .  ?        ?  
155   6  1  A   5  HIS  A   5  .  ?        ?  
156   6  1  A   6  SER  A   6  .  ?        ?  
157   6  1  A   7  ALA  A   7  .  ?        ?  
158   6  1  A   8  CYS  A   8  .  ?        ?  
159   6  1  A   9  ALA  A   9  .  ?        ?  
160   6  1  A  10  VAL  A  10  .  ?        ?  
161   6  1  A  11  ARG  A  11  .  ?        ?  
162   6  1  A  12  CYS  A  12  .  ?        ?  
163   6  1  A  13  LEU  A  13  .  ?        ?  
164   6  1  A  14  ALA  A  14  .  ?        ?  
165   6  1  A  15  GLN  A  15  .  ?        ?  
166   6  1  A  16  ARG  A  16  .  ?        ?  
167   6  1  A  17  ARG  A  17  .  ?        ?  
168   6  1  A  18  LYS  A  18  .  ?        ?  
169   6  1  A  19  GLY  A  19  .  ?        ?  
170   6  1  A  20  GLY  A  20  .  ?        ?  
171   6  1  A  21  LYS  A  21  .  ?        ?  
172   6  1  A  22  CYS  A  22  .  ?        1  
173   6  1  A  23  LYS  A  23  .  ?        ?  
174   6  1  A  24  ASN  A  24  .  ?        ?  
175   6  1  A  25  GLY  A  25  .  ?        ?  
176   6  1  A  26  ASP  A  26  .  ?        ?  
177   6  1  A  27  CYS  A  27  .  ?        ?  
178   6  1  A  28  VAL  A  28  .  ?        ?  
179   6  1  A  29  CYS  A  29  .  ?        ?  
180   6  1  A  30  ARG  A  30  .  ?        ?  
181   7  1  A   1  PHE  A   1  .  ?        ?  
182   7  1  A   2  SER  A   2  .  ?        ?  
183   7  1  A   3  CYS  A   3  .  ?        1  
184   7  1  A   4  ASP  A   4  .  ?        ?  
185   7  1  A   5  HIS  A   5  .  ?        ?  
186   7  1  A   6  SER  A   6  .  ?        ?  
187   7  1  A   7  ALA  A   7  .  ?        ?  
188   7  1  A   8  CYS  A   8  .  ?        2  
189   7  1  A   9  ALA  A   9  .  ?        ?  
190   7  1  A  10  VAL  A  10  .  ?        1  
191   7  1  A  11  ARG  A  11  .  ?        ?  
192   7  1  A  12  CYS  A  12  .  ?        ?  
193   7  1  A  13  LEU  A  13  .  ?        1  
194   7  1  A  14  ALA  A  14  .  ?        ?  
195   7  1  A  15  GLN  A  15  .  ?        ?  
196   7  1  A  16  ARG  A  16  .  ?        ?  
197   7  1  A  17  ARG  A  17  .  ?        ?  
198   7  1  A  18  LYS  A  18  .  ?        ?  
199   7  1  A  19  GLY  A  19  .  ?        ?  
200   7  1  A  20  GLY  A  20  .  ?        ?  
201   7  1  A  21  LYS  A  21  .  ?        ?  
202   7  1  A  22  CYS  A  22  .  ?        1  
203   7  1  A  23  LYS  A  23  .  ?        ?  
204   7  1  A  24  ASN  A  24  .  ?        ?  
205   7  1  A  25  GLY  A  25  .  ?        ?  
206   7  1  A  26  ASP  A  26  .  ?        ?  
207   7  1  A  27  CYS  A  27  .  ?        2  
208   7  1  A  28  VAL  A  28  .  ?        ?  
209   7  1  A  29  CYS  A  29  .  ?        ?  
210   7  1  A  30  ARG  A  30  .  ?        ?  
211   8  1  A   1  PHE  A   1  .  ?        ?  
212   8  1  A   2  SER  A   2  .  ?        ?  
213   8  1  A   3  CYS  A   3  .  ?        ?  
214   8  1  A   4  ASP  A   4  .  ?        ?  
215   8  1  A   5  HIS  A   5  .  ?        ?  
216   8  1  A   6  SER  A   6  .  ?        ?  
217   8  1  A   7  ALA  A   7  .  ?        ?  
218   8  1  A   8  CYS  A   8  .  ?        ?  
219   8  1  A   9  ALA  A   9  .  ?        ?  
220   8  1  A  10  VAL  A  10  .  ?        1  
221   8  1  A  11  ARG  A  11  .  ?        ?  
222   8  1  A  12  CYS  A  12  .  ?        ?  
223   8  1  A  13  LEU  A  13  .  ?        1  
224   8  1  A  14  ALA  A  14  .  ?        ?  
225   8  1  A  15  GLN  A  15  .  ?        ?  
226   8  1  A  16  ARG  A  16  .  ?        ?  
227   8  1  A  17  ARG  A  17  .  ?        ?  
228   8  1  A  18  LYS  A  18  .  ?        ?  
229   8  1  A  19  GLY  A  19  .  ?        ?  
230   8  1  A  20  GLY  A  20  .  ?        ?  
231   8  1  A  21  LYS  A  21  .  ?        ?  
232   8  1  A  22  CYS  A  22  .  ?        ?  
233   8  1  A  23  LYS  A  23  .  ?        ?  
234   8  1  A  24  ASN  A  24  .  ?        ?  
235   8  1  A  25  GLY  A  25  .  ?        ?  
236   8  1  A  26  ASP  A  26  .  ?        ?  
237   8  1  A  27  CYS  A  27  .  ?        ?  
238   8  1  A  28  VAL  A  28  .  ?        ?  
239   8  1  A  29  CYS  A  29  .  ?        ?  
240   8  1  A  30  ARG  A  30  .  ?        ?  
241   9  1  A   1  PHE  A   1  .  ?        ?  
242   9  1  A   2  SER  A   2  .  ?        ?  
243   9  1  A   3  CYS  A   3  .  ?        1  
244   9  1  A   4  ASP  A   4  .  ?        ?  
245   9  1  A   5  HIS  A   5  .  ?        ?  
246   9  1  A   6  SER  A   6  .  ?        ?  
247   9  1  A   7  ALA  A   7  .  ?        ?  
248   9  1  A   8  CYS  A   8  .  ?        ?  
249   9  1  A   9  ALA  A   9  .  ?        ?  
250   9  1  A  10  VAL  A  10  .  ?        1  
251   9  1  A  11  ARG  A  11  .  ?        ?  
252   9  1  A  12  CYS  A  12  .  ?        ?  
253   9  1  A  13  LEU  A  13  .  ?        1  
254   9  1  A  14  ALA  A  14  .  ?        ?  
255   9  1  A  15  GLN  A  15  .  ?        ?  
256   9  1  A  16  ARG  A  16  .  ?        ?  
257   9  1  A  17  ARG  A  17  .  ?        ?  
258   9  1  A  18  LYS  A  18  .  ?        ?  
259   9  1  A  19  GLY  A  19  .  ?        ?  
260   9  1  A  20  GLY  A  20  .  ?        ?  
261   9  1  A  21  LYS  A  21  .  ?        ?  
262   9  1  A  22  CYS  A  22  .  ?        1  
263   9  1  A  23  LYS  A  23  .  ?        ?  
264   9  1  A  24  ASN  A  24  .  ?        ?  
265   9  1  A  25  GLY  A  25  .  ?        ?  
266   9  1  A  26  ASP  A  26  .  ?        ?  
267   9  1  A  27  CYS  A  27  .  ?        ?  
268   9  1  A  28  VAL  A  28  .  ?        ?  
269   9  1  A  29  CYS  A  29  .  ?        ?  
270   9  1  A  30  ARG  A  30  .  ?        ?  
271  10  1  A   1  PHE  A   1  .  ?        ?  
272  10  1  A   2  SER  A   2  .  ?        ?  
273  10  1  A   3  CYS  A   3  .  ?        1  
274  10  1  A   4  ASP  A   4  .  ?        ?  
275  10  1  A   5  HIS  A   5  .  ?        ?  
276  10  1  A   6  SER  A   6  .  ?        ?  
277  10  1  A   7  ALA  A   7  .  ?        ?  
278  10  1  A   8  CYS  A   8  .  ?        2  
279  10  1  A   9  ALA  A   9  .  ?        ?  
280  10  1  A  10  VAL  A  10  .  ?        ?  
281  10  1  A  11  ARG  A  11  .  ?        ?  
282  10  1  A  12  CYS  A  12  .  ?        ?  
283  10  1  A  13  LEU  A  13  .  ?        ?  
284  10  1  A  14  ALA  A  14  .  ?        ?  
285  10  1  A  15  GLN  A  15  .  ?        ?  
286  10  1  A  16  ARG  A  16  .  ?        ?  
287  10  1  A  17  ARG  A  17  .  ?        ?  
288  10  1  A  18  LYS  A  18  .  ?        ?  
289  10  1  A  19  GLY  A  19  .  ?        ?  
290  10  1  A  20  GLY  A  20  .  ?        ?  
291  10  1  A  21  LYS  A  21  .  ?        ?  
292  10  1  A  22  CYS  A  22  .  ?        1  
293  10  1  A  23  LYS  A  23  .  ?        ?  
294  10  1  A  24  ASN  A  24  .  ?        ?  
295  10  1  A  25  GLY  A  25  .  ?        ?  
296  10  1  A  26  ASP  A  26  .  ?        ?  
297  10  1  A  27  CYS  A  27  .  ?        2  
298  10  1  A  28  VAL  A  28  .  ?        ?  
299  10  1  A  29  CYS  A  29  .  ?        ?  
300  10  1  A  30  ARG  A  30  .  ?        ?  
301  11  1  A   1  PHE  A   1  .  ?        ?  
302  11  1  A   2  SER  A   2  .  ?        ?  
303  11  1  A   3  CYS  A   3  .  ?        ?  
304  11  1  A   4  ASP  A   4  .  ?        ?  
305  11  1  A   5  HIS  A   5  .  ?        ?  
306  11  1  A   6  SER  A   6  .  ?        ?  
307  11  1  A   7  ALA  A   7  .  ?        ?  
308  11  1  A   8  CYS  A   8  .  ?        1  
309  11  1  A   9  ALA  A   9  .  ?        ?  
310  11  1  A  10  VAL  A  10  .  ?        ?  
311  11  1  A  11  ARG  A  11  .  ?        ?  
312  11  1  A  12  CYS  A  12  .  ?        ?  
313  11  1  A  13  LEU  A  13  .  ?        ?  
314  11  1  A  14  ALA  A  14  .  ?        ?  
315  11  1  A  15  GLN  A  15  .  ?        ?  
316  11  1  A  16  ARG  A  16  .  ?        ?  
317  11  1  A  17  ARG  A  17  .  ?        ?  
318  11  1  A  18  LYS  A  18  .  ?        ?  
319  11  1  A  19  GLY  A  19  .  ?        ?  
320  11  1  A  20  GLY  A  20  .  ?        ?  
321  11  1  A  21  LYS  A  21  .  ?        ?  
322  11  1  A  22  CYS  A  22  .  ?        ?  
323  11  1  A  23  LYS  A  23  .  ?        ?  
324  11  1  A  24  ASN  A  24  .  ?        ?  
325  11  1  A  25  GLY  A  25  .  ?        ?  
326  11  1  A  26  ASP  A  26  .  ?        ?  
327  11  1  A  27  CYS  A  27  .  ?        1  
328  11  1  A  28  VAL  A  28  .  ?        ?  
329  11  1  A  29  CYS  A  29  .  ?        ?  
330  11  1  A  30  ARG  A  30  .  ?        ?  
331  12  1  A   1  PHE  A   1  .  ?        ?  
332  12  1  A   2  SER  A   2  .  ?        ?  
333  12  1  A   3  CYS  A   3  .  ?        ?  
334  12  1  A   4  ASP  A   4  .  ?        ?  
335  12  1  A   5  HIS  A   5  .  ?        ?  
336  12  1  A   6  SER  A   6  .  ?        ?  
337  12  1  A   7  ALA  A   7  .  ?        ?  
338  12  1  A   8  CYS  A   8  .  ?        2  
339  12  1  A   9  ALA  A   9  .  ?        ?  
340  12  1  A  10  VAL  A  10  .  ?        ?  
341  12  1  A  11  ARG  A  11  .  ?        ?  
342  12  1  A  12  CYS  A  12  .  ?        ?  
343  12  1  A  13  LEU  A  13  .  ?        ?  
344  12  1  A  14  ALA  A  14  .  ?        ?  
345  12  1  A  15  GLN  A  15  .  ?        ?  
346  12  1  A  16  ARG  A  16  .  ?        ?  
347  12  1  A  17  ARG  A  17  .  ?        ?  
348  12  1  A  18  LYS  A  18  .  ?        ?  
349  12  1  A  19  GLY  A  19  .  ?        ?  
350  12  1  A  20  GLY  A  20  .  ?        ?  
351  12  1  A  21  LYS  A  21  .  ?        ?  
352  12  1  A  22  CYS  A  22  .  ?        ?  
353  12  1  A  23  LYS  A  23  .  ?        ?  
354  12  1  A  24  ASN  A  24  .  ?        ?  
355  12  1  A  25  GLY  A  25  .  ?        ?  
356  12  1  A  26  ASP  A  26  .  ?        ?  
357  12  1  A  27  CYS  A  27  .  ?        2  
358  12  1  A  28  VAL  A  28  .  ?        ?  
359  12  1  A  29  CYS  A  29  .  ?        ?  
360  12  1  A  30  ARG  A  30  .  ?        ?  
361  13  1  A   1  PHE  A   1  .  ?        ?  
362  13  1  A   2  SER  A   2  .  ?        ?  
363  13  1  A   3  CYS  A   3  .  ?        1  
364  13  1  A   4  ASP  A   4  .  ?        ?  
365  13  1  A   5  HIS  A   5  .  ?        ?  
366  13  1  A   6  SER  A   6  .  ?        ?  
367  13  1  A   7  ALA  A   7  .  ?        ?  
368  13  1  A   8  CYS  A   8  .  ?        ?  
369  13  1  A   9  ALA  A   9  .  ?        ?  
370  13  1  A  10  VAL  A  10  .  ?        1  
371  13  1  A  11  ARG  A  11  .  ?        ?  
372  13  1  A  12  CYS  A  12  .  ?        ?  
373  13  1  A  13  LEU  A  13  .  ?        1  
374  13  1  A  14  ALA  A  14  .  ?        ?  
375  13  1  A  15  GLN  A  15  .  ?        ?  
376  13  1  A  16  ARG  A  16  .  ?        ?  
377  13  1  A  17  ARG  A  17  .  ?        ?  
378  13  1  A  18  LYS  A  18  .  ?        ?  
379  13  1  A  19  GLY  A  19  .  ?        ?  
380  13  1  A  20  GLY  A  20  .  ?        ?  
381  13  1  A  21  LYS  A  21  .  ?        ?  
382  13  1  A  22  CYS  A  22  .  ?        1  
383  13  1  A  23  LYS  A  23  .  ?        ?  
384  13  1  A  24  ASN  A  24  .  ?        ?  
385  13  1  A  25  GLY  A  25  .  ?        ?  
386  13  1  A  26  ASP  A  26  .  ?        ?  
387  13  1  A  27  CYS  A  27  .  ?        ?  
388  13  1  A  28  VAL  A  28  .  ?        ?  
389  13  1  A  29  CYS  A  29  .  ?        ?  
390  13  1  A  30  ARG  A  30  .  ?        ?  
391  14  1  A   1  PHE  A   1  .  ?        ?  
392  14  1  A   2  SER  A   2  .  ?        ?  
393  14  1  A   3  CYS  A   3  .  ?        1  
394  14  1  A   4  ASP  A   4  .  ?        ?  
395  14  1  A   5  HIS  A   5  .  ?        ?  
396  14  1  A   6  SER  A   6  .  ?        ?  
397  14  1  A   7  ALA  A   7  .  ?        ?  
398  14  1  A   8  CYS  A   8  .  ?        1  
399  14  1  A   9  ALA  A   9  .  ?        ?  
400  14  1  A  10  VAL  A  10  .  ?        1  
401  14  1  A  11  ARG  A  11  .  ?        ?  
402  14  1  A  12  CYS  A  12  .  ?        ?  
403  14  1  A  13  LEU  A  13  .  ?        1  
404  14  1  A  14  ALA  A  14  .  ?        ?  
405  14  1  A  15  GLN  A  15  .  ?        ?  
406  14  1  A  16  ARG  A  16  .  ?        ?  
407  14  1  A  17  ARG  A  17  .  ?        ?  
408  14  1  A  18  LYS  A  18  .  ?        ?  
409  14  1  A  19  GLY  A  19  .  ?        ?  
410  14  1  A  20  GLY  A  20  .  ?        ?  
411  14  1  A  21  LYS  A  21  .  ?        ?  
412  14  1  A  22  CYS  A  22  .  ?        1  
413  14  1  A  23  LYS  A  23  .  ?        ?  
414  14  1  A  24  ASN  A  24  .  ?        ?  
415  14  1  A  25  GLY  A  25  .  ?        ?  
416  14  1  A  26  ASP  A  26  .  ?        ?  
417  14  1  A  27  CYS  A  27  .  ?        1  
418  14  1  A  28  VAL  A  28  .  ?        ?  
419  14  1  A  29  CYS  A  29  .  ?        ?  
420  14  1  A  30  ARG  A  30  .  ?        ?  
421  15  1  A   1  PHE  A   1  .  ?        ?  
422  15  1  A   2  SER  A   2  .  ?        ?  
423  15  1  A   3  CYS  A   3  .  ?        1  
424  15  1  A   4  ASP  A   4  .  ?        ?  
425  15  1  A   5  HIS  A   5  .  ?        ?  
426  15  1  A   6  SER  A   6  .  ?        ?  
427  15  1  A   7  ALA  A   7  .  ?        ?  
428  15  1  A   8  CYS  A   8  .  ?        ?  
429  15  1  A   9  ALA  A   9  .  ?        ?  
430  15  1  A  10  VAL  A  10  .  ?        1  
431  15  1  A  11  ARG  A  11  .  ?        ?  
432  15  1  A  12  CYS  A  12  .  ?        ?  
433  15  1  A  13  LEU  A  13  .  ?        1  
434  15  1  A  14  ALA  A  14  .  ?        ?  
435  15  1  A  15  GLN  A  15  .  ?        ?  
436  15  1  A  16  ARG  A  16  .  ?        ?  
437  15  1  A  17  ARG  A  17  .  ?        ?  
438  15  1  A  18  LYS  A  18  .  ?        ?  
439  15  1  A  19  GLY  A  19  .  ?        ?  
440  15  1  A  20  GLY  A  20  .  ?        ?  
441  15  1  A  21  LYS  A  21  .  ?        ?  
442  15  1  A  22  CYS  A  22  .  ?        1  
443  15  1  A  23  LYS  A  23  .  ?        ?  
444  15  1  A  24  ASN  A  24  .  ?        ?  
445  15  1  A  25  GLY  A  25  .  ?        ?  
446  15  1  A  26  ASP  A  26  .  ?        ?  
447  15  1  A  27  CYS  A  27  .  ?        2  
448  15  1  A  28  VAL  A  28  .  ?        ?  
449  15  1  A  29  CYS  A  29  .  ?        ?  
450  15  1  A  30  ARG  A  30  .  ?        ?  
451  16  1  A   1  PHE  A   1  .  ?        ?  
452  16  1  A   2  SER  A   2  .  ?        ?  
453  16  1  A   3  CYS  A   3  .  ?        2  
454  16  1  A   4  ASP  A   4  .  ?        ?  
455  16  1  A   5  HIS  A   5  .  ?        ?  
456  16  1  A   6  SER  A   6  .  ?        ?  
457  16  1  A   7  ALA  A   7  .  ?        ?  
458  16  1  A   8  CYS  A   8  .  ?        1  
459  16  1  A   9  ALA  A   9  .  ?        ?  
460  16  1  A  10  VAL  A  10  .  ?        ?  
461  16  1  A  11  ARG  A  11  .  ?        ?  
462  16  1  A  12  CYS  A  12  .  ?        ?  
463  16  1  A  13  LEU  A  13  .  ?        ?  
464  16  1  A  14  ALA  A  14  .  ?        ?  
465  16  1  A  15  GLN  A  15  .  ?        ?  
466  16  1  A  16  ARG  A  16  .  ?        ?  
467  16  1  A  17  ARG  A  17  .  ?        ?  
468  16  1  A  18  LYS  A  18  .  ?        ?  
469  16  1  A  19  GLY  A  19  .  ?        ?  
470  16  1  A  20  GLY  A  20  .  ?        ?  
471  16  1  A  21  LYS  A  21  .  ?        ?  
472  16  1  A  22  CYS  A  22  .  ?        2  
473  16  1  A  23  LYS  A  23  .  ?        ?  
474  16  1  A  24  ASN  A  24  .  ?        ?  
475  16  1  A  25  GLY  A  25  .  ?        ?  
476  16  1  A  26  ASP  A  26  .  ?        ?  
477  16  1  A  27  CYS  A  27  .  ?        1  
478  16  1  A  28  VAL  A  28  .  ?        ?  
479  16  1  A  29  CYS  A  29  .  ?        ?  
480  16  1  A  30  ARG  A  30  .  ?        ?  
481  17  1  A   1  PHE  A   1  .  ?        ?  
482  17  1  A   2  SER  A   2  .  ?        ?  
483  17  1  A   3  CYS  A   3  .  ?        ?  
484  17  1  A   4  ASP  A   4  .  ?        ?  
485  17  1  A   5  HIS  A   5  .  ?        ?  
486  17  1  A   6  SER  A   6  .  ?        ?  
487  17  1  A   7  ALA  A   7  .  ?        ?  
488  17  1  A   8  CYS  A   8  .  ?        2  
489  17  1  A   9  ALA  A   9  .  ?        ?  
490  17  1  A  10  VAL  A  10  .  ?        1  
491  17  1  A  11  ARG  A  11  .  ?        ?  
492  17  1  A  12  CYS  A  12  .  ?        ?  
493  17  1  A  13  LEU  A  13  .  ?        1  
494  17  1  A  14  ALA  A  14  .  ?        ?  
495  17  1  A  15  GLN  A  15  .  ?        ?  
496  17  1  A  16  ARG  A  16  .  ?        ?  
497  17  1  A  17  ARG  A  17  .  ?        ?  
498  17  1  A  18  LYS  A  18  .  ?        ?  
499  17  1  A  19  GLY  A  19  .  ?        ?  
500  17  1  A  20  GLY  A  20  .  ?        ?  
501  17  1  A  21  LYS  A  21  .  ?        ?  
502  17  1  A  22  CYS  A  22  .  ?        ?  
503  17  1  A  23  LYS  A  23  .  ?        ?  
504  17  1  A  24  ASN  A  24  .  ?        ?  
505  17  1  A  25  GLY  A  25  .  ?        ?  
506  17  1  A  26  ASP  A  26  .  ?        ?  
507  17  1  A  27  CYS  A  27  .  ?        2  
508  17  1  A  28  VAL  A  28  .  ?        ?  
509  17  1  A  29  CYS  A  29  .  ?        ?  
510  17  1  A  30  ARG  A  30  .  ?        ?  
511  18  1  A   1  PHE  A   1  .  ?        ?  
512  18  1  A   2  SER  A   2  .  ?        ?  
513  18  1  A   3  CYS  A   3  .  ?        1  
514  18  1  A   4  ASP  A   4  .  ?        ?  
515  18  1  A   5  HIS  A   5  .  ?        ?  
516  18  1  A   6  SER  A   6  .  ?        ?  
517  18  1  A   7  ALA  A   7  .  ?        ?  
518  18  1  A   8  CYS  A   8  .  ?        ?  
519  18  1  A   9  ALA  A   9  .  ?        ?  
520  18  1  A  10  VAL  A  10  .  ?        1  
521  18  1  A  11  ARG  A  11  .  ?        ?  
522  18  1  A  12  CYS  A  12  .  ?        ?  
523  18  1  A  13  LEU  A  13  .  ?        1  
524  18  1  A  14  ALA  A  14  .  ?        ?  
525  18  1  A  15  GLN  A  15  .  ?        ?  
526  18  1  A  16  ARG  A  16  .  ?        ?  
527  18  1  A  17  ARG  A  17  .  ?        ?  
528  18  1  A  18  LYS  A  18  .  ?        ?  
529  18  1  A  19  GLY  A  19  .  ?        ?  
530  18  1  A  20  GLY  A  20  .  ?        ?  
531  18  1  A  21  LYS  A  21  .  ?        ?  
532  18  1  A  22  CYS  A  22  .  ?        1  
533  18  1  A  23  LYS  A  23  .  ?        ?  
534  18  1  A  24  ASN  A  24  .  ?        ?  
535  18  1  A  25  GLY  A  25  .  ?        ?  
536  18  1  A  26  ASP  A  26  .  ?        ?  
537  18  1  A  27  CYS  A  27  .  ?        ?  
538  18  1  A  28  VAL  A  28  .  ?        ?  
539  18  1  A  29  CYS  A  29  .  ?        ?  
540  18  1  A  30  ARG  A  30  .  ?        ?  
541  19  1  A   1  PHE  A   1  .  ?        ?  
542  19  1  A   2  SER  A   2  .  ?        ?  
543  19  1  A   3  CYS  A   3  .  ?        ?  
544  19  1  A   4  ASP  A   4  .  ?        ?  
545  19  1  A   5  HIS  A   5  .  ?        ?  
546  19  1  A   6  SER  A   6  .  ?        ?  
547  19  1  A   7  ALA  A   7  .  ?        ?  
548  19  1  A   8  CYS  A   8  .  ?        ?  
549  19  1  A   9  ALA  A   9  .  ?        ?  
550  19  1  A  10  VAL  A  10  .  ?        1  
551  19  1  A  11  ARG  A  11  .  ?        ?  
552  19  1  A  12  CYS  A  12  .  ?        ?  
553  19  1  A  13  LEU  A  13  .  ?        1  
554  19  1  A  14  ALA  A  14  .  ?        ?  
555  19  1  A  15  GLN  A  15  .  ?        ?  
556  19  1  A  16  ARG  A  16  .  ?        ?  
557  19  1  A  17  ARG  A  17  .  ?        ?  
558  19  1  A  18  LYS  A  18  .  ?        ?  
559  19  1  A  19  GLY  A  19  .  ?        ?  
560  19  1  A  20  GLY  A  20  .  ?        ?  
561  19  1  A  21  LYS  A  21  .  ?        ?  
562  19  1  A  22  CYS  A  22  .  ?        ?  
563  19  1  A  23  LYS  A  23  .  ?        ?  
564  19  1  A  24  ASN  A  24  .  ?        ?  
565  19  1  A  25  GLY  A  25  .  ?        ?  
566  19  1  A  26  ASP  A  26  .  ?        ?  
567  19  1  A  27  CYS  A  27  .  ?        ?  
568  19  1  A  28  VAL  A  28  .  ?        ?  
569  19  1  A  29  CYS  A  29  .  ?        ?  
570  19  1  A  30  ARG  A  30  .  ?        ?  
571  20  1  A   1  PHE  A   1  .  ?        ?  
572  20  1  A   2  SER  A   2  .  ?        ?  
573  20  1  A   3  CYS  A   3  .  ?        1  
574  20  1  A   4  ASP  A   4  .  ?        ?  
575  20  1  A   5  HIS  A   5  .  ?        ?  
576  20  1  A   6  SER  A   6  .  ?        ?  
577  20  1  A   7  ALA  A   7  .  ?        ?  
578  20  1  A   8  CYS  A   8  .  ?        1  
579  20  1  A   9  ALA  A   9  .  ?        ?  
580  20  1  A  10  VAL  A  10  .  ?        1  
581  20  1  A  11  ARG  A  11  .  ?        ?  
582  20  1  A  12  CYS  A  12  .  ?        ?  
583  20  1  A  13  LEU  A  13  .  ?        1  
584  20  1  A  14  ALA  A  14  .  ?        ?  
585  20  1  A  15  GLN  A  15  .  ?        ?  
586  20  1  A  16  ARG  A  16  .  ?        ?  
587  20  1  A  17  ARG  A  17  .  ?        ?  
588  20  1  A  18  LYS  A  18  .  ?        ?  
589  20  1  A  19  GLY  A  19  .  ?        ?  
590  20  1  A  20  GLY  A  20  .  ?        ?  
591  20  1  A  21  LYS  A  21  .  ?        ?  
592  20  1  A  22  CYS  A  22  .  ?        1  
593  20  1  A  23  LYS  A  23  .  ?        ?  
594  20  1  A  24  ASN  A  24  .  ?        ?  
595  20  1  A  25  GLY  A  25  .  ?        ?  
596  20  1  A  26  ASP  A  26  .  ?        ?  
597  20  1  A  27  CYS  A  27  .  ?        3  
598  20  1  A  28  VAL  A  28  .  ?        ?  
599  20  1  A  29  CYS  A  29  .  ?        ?  
600  20  1  A  30  ARG  A  30  .  ?        ?  
#
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-85          ?       ?  ?        11  12  0.33  16  0.23  molprobity     ?  False  
  2    2  p        -171.0   114.2  Allowed   5   6  0.20   8  0.23  molprobity     ?  False  
  3    3  t         -65.6    93.3  Allowed   4   6  0.18   8  0.26  molprobity     ?  False  
  4    4  m-20      -85.6   128.4  Favored   4   8  0.15  11  0.24  molprobity     ?  False  
  5    5  m170      -62.0   -33.3  Favored   7  11  0.14  15  0.20  molprobity     1  True   
  6    6  m         -63.7   -55.0  Favored   5   6  0.18   8  0.23  molprobity     1  True   
  7    7  ?         -51.8   -50.7  Favored   5   5  0.15   7  0.24  molprobity     1  True   
  8    8  t         -64.1   -46.7  Favored   4   6  0.19   8  0.24  molprobity     1  True   
  9    9  ?         -51.5   -48.5  Favored   5   5  0.14   7  0.24  molprobity     1  True   
 10   10  t         -69.7   -48.2  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 11   11  ttp180    -59.1   -21.9  Favored  13  11  0.15  14  0.25  molprobity     1  True   
 12   12  m         -86.7   -50.8  Favored   4   6  0.21   8  0.24  molprobity     1  True   
 13   13  OUTLIER   -62.5   -25.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 14   14  ?         -81.0   -23.6  Favored   5   5  0.14   7  0.23  molprobity     1  True   
 15   15  OUTLIER   -93.6    17.6  Favored   8   9  0.21  12  0.27  molprobity     1  True   
 16   16  OUTLIER    63.5    52.5  Favored  13  11  0.15  14  0.24  molprobity     1  True   
 17   17  mmm180   -132.0    14.7  Favored  13  11  0.16  14  0.26  molprobity     1  True   
 18   18  OUTLIER    51.8    30.1  Favored  13   9  0.21  11  0.28  molprobity     1  True   
 19   19  ?          82.3   179.1  Favored   3   4  0.19   5  0.36  molprobity     1  True   
 20   20  ?        -159.5  -146.8  Favored   3   4  0.25   5  0.23  molprobity     1  True   
 21   21  OUTLIER  -159.6   161.2  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 22   22  OUTLIER   -97.8   141.2  Favored   4   6  0.19   8  0.25  molprobity     1  True   
 23   23  tttp     -132.1    92.0  Favored  13   9  0.22  11  0.20  molprobity     ?  False  
 24   24  t30        52.9    33.6  Favored   6   8  0.20  11  0.33  molprobity     ?  False  
 25   25  ?         110.2   -33.5  Favored   3   4  0.22   5  0.21  molprobity     ?  False  
 26   26  m-20      -75.2   109.2  Favored   4   8  0.17  11  0.24  molprobity     ?  False  
 27   27  t         -80.0    98.8  Favored   4   6  0.18   8  0.24  molprobity     ?  False  
 28   28  t         -89.5   135.8  Favored   9   7  0.16  10  0.46  molprobity     ?  False  
 29   29  m        -114.7   121.3  Favored   4   6  0.18   8  0.24  molprobity     ?  False  
 30   30  mtt180        ?       ?  ?        13  10  0.14  11  0.25  molprobity     ?  False  
 31   31  p90           ?       ?  ?        11  12  0.34  16  0.22  molprobity     ?  False  
 32   32  t        -153.5    26.9  Allowed   5   6  0.20   8  0.22  molprobity     ?  False  
 33   33  t          54.9    87.5  OUTLIER   5   6  0.20   8  0.23  molprobity     ?  False  
 34   34  m-20      -74.3   101.0  Favored   4   8  0.17  11  0.23  molprobity     ?  False  
 35   35  t-160     -70.5   -28.6  Favored   7  11  0.15  15  0.20  molprobity     1  True   
 36   36  m         -64.4   -58.3  Favored   5   6  0.18   8  0.23  molprobity     1  True   
 37   37  ?         -52.0   -48.2  Favored   5   5  0.16   7  0.23  molprobity     1  True   
 38   38  m         -63.5   -48.0  Favored   5   6  0.19   8  0.24  molprobity     1  True   
 39   39  ?         -51.5   -48.6  Favored   5   5  0.14   7  0.24  molprobity     1  True   
 40   40  t         -69.7   -48.3  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 41   41  ttp85     -59.1   -21.8  Favored  13  11  0.16  14  0.27  molprobity     1  True   
 42   42  m         -86.8   -50.8  Favored   4   6  0.21   8  0.24  molprobity     1  True   
 43   43  OUTLIER   -62.5   -25.8  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 44   44  ?         -81.1   -23.6  Favored   5   5  0.14   7  0.24  molprobity     1  True   
 45   45  mt-30     -93.6    17.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 46   46  mtt180     63.5    52.5  Favored  13  11  0.15  14  0.26  molprobity     1  True   
 47   47  OUTLIER  -132.0    14.7  Favored  13  11  0.16  14  0.25  molprobity     1  True   
 48   48  mttt       51.7    30.1  Favored  13   9  0.21  11  0.28  molprobity     1  True   
 49   49  ?          82.3   177.8  Favored   3   4  0.22   5  0.35  molprobity     1  True   
 50   50  ?        -146.6  -151.2  Favored   3   4  0.23   5  0.21  molprobity     1  True   
 51   51  OUTLIER  -159.8   161.7  Favored  13   9  0.23  11  0.22  molprobity     1  True   
 52   52  OUTLIER   -82.5   135.3  Favored   5   6  0.18   8  0.25  molprobity     1  True   
 53   53  tttt     -117.4    85.6  Favored  13   9  0.23  11  0.21  molprobity     ?  False  
 54   54  OUTLIER    52.1    39.9  Favored   6   8  0.20  11  0.33  molprobity     ?  False  
 55   55  ?         109.3   -27.1  Favored   3   4  0.24   5  0.22  molprobity     ?  False  
 56   56  m-20      -83.0   179.7  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
 57   57  m        -131.4   106.2  Favored   5   6  0.18   8  0.24  molprobity     ?  False  
 58   58  t        -103.3   135.7  Favored   9   7  0.15  10  0.46  molprobity     ?  False  
 59   59  m        -106.0   122.0  Favored   4   6  0.19   8  0.24  molprobity     ?  False  
 60   60  OUTLIER       ?       ?  ?        13  10  0.15  11  0.24  molprobity     ?  False  
 61   61  m-85          ?       ?  ?        11  12  0.32  16  0.23  molprobity     ?  False  
 62   62  OUTLIER  -168.9   129.0  Allowed   5   6  0.21   8  0.23  molprobity     ?  False  
 63   63  t         -57.6    99.8  OUTLIER   4   6  0.18   8  0.25  molprobity     ?  False  
 64   64  OUTLIER   -65.8   128.2  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
 65   65  m-70      -71.4   -26.7  Favored   7  11  0.14  15  0.20  molprobity     1  True   
 66   66  m         -66.7   -55.3  Favored   5   6  0.20   8  0.24  molprobity     1  True   
 67   67  ?         -51.9   -50.5  Favored   5   5  0.17   7  0.23  molprobity     1  True   
 68   68  t         -64.0   -47.0  Favored   4   6  0.18   8  0.24  molprobity     1  True   
 69   69  ?         -51.5   -48.5  Favored   5   5  0.14   7  0.24  molprobity     1  True   
 70   70  t         -69.8   -48.3  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 71   71  ttm180    -59.0   -21.9  Favored  13  11  0.16  14  0.26  molprobity     1  True   
 72   72  m         -86.7   -50.9  Favored   4   6  0.19   8  0.25  molprobity     1  True   
 73   73  OUTLIER   -62.5   -25.8  Favored  11   8  0.19  11  0.25  molprobity     1  True   
 74   74  ?         -81.1   -23.6  Favored   5   5  0.15   7  0.24  molprobity     1  True   
 75   75  OUTLIER   -93.6    17.6  Favored   8   9  0.20  12  0.26  molprobity     1  True   
 76   76  mtp180     63.5    52.5  Favored  13  11  0.15  14  0.25  molprobity     1  True   
 77   77  OUTLIER  -132.0    14.8  Favored  13  11  0.15  14  0.26  molprobity     1  True   
 78   78  ttmt       51.8    30.0  Favored  13   9  0.21  11  0.27  molprobity     1  True   
 79   79  ?          82.2   178.8  Favored   3   4  0.20   5  0.36  molprobity     1  True   
 80   80  ?        -159.7  -146.7  Favored   3   4  0.24   5  0.20  molprobity     1  True   
 81   81  OUTLIER  -159.3   166.6  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 82   82  OUTLIER  -102.7   137.8  Favored   4   6  0.18   8  0.25  molprobity     1  True   
 83   83  mttt     -128.5    93.0  Favored  13   9  0.22  11  0.21  molprobity     ?  False  
 84   84  m-20       52.7    33.1  Favored   6   8  0.21  11  0.34  molprobity     ?  False  
 85   85  ?         110.9   -34.5  Favored   3   4  0.25   5  0.22  molprobity     ?  False  
 86   86  m-20      -74.6   110.0  Favored   4   8  0.15  11  0.25  molprobity     ?  False  
 87   87  t         -80.3    99.1  Favored   4   6  0.18   8  0.24  molprobity     ?  False  
 88   88  t         -88.9   137.1  Favored   9   7  0.15  10  0.45  molprobity     ?  False  
 89   89  m        -115.9   121.4  Favored   4   6  0.19   8  0.24  molprobity     ?  False  
 90   90  mtm180        ?       ?  ?        13  10  0.14  11  0.25  molprobity     ?  False  
 91   91  m-85          ?       ?  ?        11  12  0.33  16  0.23  molprobity     ?  False  
 92   92  m        -158.2   122.2  Favored   5   6  0.19   8  0.23  molprobity     ?  False  
 93   93  t         -70.2    94.0  Allowed   5   6  0.19   8  0.25  molprobity     ?  False  
 94   94  OUTLIER   -80.6   140.1  Favored   4   8  0.17  11  0.24  molprobity     ?  False  
 95   95  m170      -61.5   -26.7  Favored   7  11  0.16  15  0.20  molprobity     1  True   
 96   96  m         -71.2   -55.5  Favored   5   6  0.18   8  0.23  molprobity     1  True   
 97   97  ?         -52.3   -46.8  Favored   5   5  0.17   7  0.23  molprobity     1  True   
 98   98  m         -67.4   -46.5  Favored   5   6  0.20   8  0.24  molprobity     1  True   
 99   99  ?         -51.5   -48.5  Favored   5   5  0.16   7  0.25  molprobity     1  True   
100  100  t         -69.8   -48.3  Favored   9   7  0.15  10  0.45  molprobity     1  True   
101  101  OUTLIER   -59.1   -21.8  Favored  13  11  0.16  14  0.25  molprobity     1  True   
102  102  m         -86.8   -50.9  Favored   4   6  0.20   8  0.24  molprobity     1  True   
103  103  OUTLIER   -62.5   -25.8  Favored  11   8  0.17  11  0.24  molprobity     1  True   
104  104  ?         -81.1   -23.5  Favored   5   5  0.15   7  0.24  molprobity     1  True   
105  105  mt-30     -93.6    17.6  Favored   8   9  0.23  12  0.26  molprobity     1  True   
106  106  mmt180     63.5    52.5  Favored  13  11  0.17  14  0.26  molprobity     1  True   
107  107  mmt180   -132.0    14.7  Favored  13  11  0.15  14  0.26  molprobity     1  True   
108  108  OUTLIER    51.7    30.0  Favored  13   9  0.22  11  0.28  molprobity     1  True   
109  109  ?          82.4   175.5  Favored   3   4  0.21   5  0.36  molprobity     1  True   
110  110  ?        -157.4  -150.4  Favored   3   4  0.26   5  0.21  molprobity     1  True   
111  111  OUTLIER  -154.5   161.7  Favored  13   9  0.22  11  0.21  molprobity     1  True   
112  112  m         -95.3   146.8  Favored   5   6  0.20   8  0.24  molprobity     1  True   
113  113  tttt     -138.8    95.2  Favored  13   9  0.22  11  0.20  molprobity     ?  False  
114  114  m-20       52.1    32.4  Favored   6   8  0.21  11  0.34  molprobity     ?  False  
115  115  ?         110.1   -35.4  Favored   3   4  0.25   5  0.21  molprobity     ?  False  
116  116  m-20      -74.1   110.8  Favored   4   8  0.16  11  0.23  molprobity     ?  False  
117  117  m         -80.1    99.0  Favored   5   6  0.19   8  0.23  molprobity     ?  False  
118  118  t         -86.3   143.0  Favored   9   7  0.16  10  0.46  molprobity     ?  False  
119  119  m        -122.7   122.2  Favored   4   6  0.19   8  0.24  molprobity     ?  False  
120  120  mtm180        ?       ?  ?        13  10  0.12  11  0.24  molprobity     ?  False  
121  121  OUTLIER       ?       ?  ?        11  12  0.34  16  0.22  molprobity     ?  False  
122  122  OUTLIER  -160.7   120.5  Favored   5   6  0.19   8  0.24  molprobity     ?  False  
123  123  t         -66.9    94.2  Allowed   5   6  0.18   8  0.25  molprobity     ?  False  
124  124  OUTLIER   -74.6   116.0  Favored   4   8  0.15  11  0.24  molprobity     ?  False  
125  125  t60       -57.1   -28.4  Favored   7  11  0.13  15  0.20  molprobity     1  True   
126  126  OUTLIER   -67.9   -56.4  Favored   5   6  0.18   8  0.23  molprobity     1  True   
127  127  ?         -52.1   -49.5  Favored   5   5  0.16   7  0.25  molprobity     1  True   
128  128  t         -64.5   -46.8  Favored   5   6  0.20   8  0.24  molprobity     1  True   
129  129  ?         -51.5   -48.5  Favored   5   5  0.14   7  0.24  molprobity     1  True   
130  130  t         -69.8   -48.3  Favored   9   7  0.16  10  0.45  molprobity     1  True   
131  131  ttp85     -59.1   -21.9  Favored  13  11  0.16  14  0.27  molprobity     1  True   
132  132  m         -86.7   -50.9  Favored   4   6  0.21   8  0.24  molprobity     1  True   
133  133  OUTLIER   -62.4   -25.8  Favored  11   8  0.19  11  0.25  molprobity     1  True   
134  134  ?         -81.1   -23.6  Favored   5   5  0.15   7  0.24  molprobity     1  True   
135  135  mt-30     -93.5    17.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
136  136  mtm180     63.5    52.5  Favored  13  11  0.15  14  0.25  molprobity     1  True   
137  137  mmm180   -132.0    14.7  Favored  13  11  0.16  14  0.25  molprobity     1  True   
138  138  ttpm?      51.7    30.0  Favored  13   9  0.21  11  0.27  molprobity     1  True   
139  139  ?          82.3   177.9  Favored   3   4  0.19   5  0.36  molprobity     1  True   
140  140  ?        -150.4  -150.3  Favored   3   4  0.24   5  0.21  molprobity     1  True   
141  141  OUTLIER  -159.8   159.5  Favored  13   9  0.21  11  0.21  molprobity     1  True   
142  142  OUTLIER  -101.4    94.1  Favored   5   6  0.18   8  0.26  molprobity     1  True   
143  143  OUTLIER   -86.2   101.4  Favored  13   9  0.22  11  0.21  molprobity     ?  False  
144  144  m120       53.4    32.6  Favored   6   8  0.20  11  0.33  molprobity     ?  False  
145  145  ?         105.3   -32.2  Favored   3   4  0.24   5  0.23  molprobity     ?  False  
146  146  m-20      -72.2   114.6  Favored   4   8  0.18  11  0.23  molprobity     ?  False  
147  147  t         -80.1    91.7  Favored   5   6  0.18   8  0.24  molprobity     ?  False  
148  148  t         -89.3   131.5  Favored   9   7  0.15  10  0.46  molprobity     ?  False  
149  149  m        -106.7   121.9  Favored   4   6  0.18   8  0.25  molprobity     ?  False  
150  150  mtp180        ?       ?  ?        13  10  0.13  11  0.26  molprobity     ?  False  
151  151  m-85          ?       ?  ?        11  12  0.33  16  0.23  molprobity     ?  False  
152  152  p        -149.7   125.7  Favored   5   6  0.20   8  0.23  molprobity     ?  False  
153  153  t         -64.5    95.5  Allowed   5   6  0.19   8  0.25  molprobity     ?  False  
154  154  OUTLIER   -77.7   107.1  Favored   4   8  0.14  11  0.25  molprobity     ?  False  
155  155  t-160     -52.3   -30.0  Favored   7  11  0.14  15  0.19  molprobity     1  True   
156  156  OUTLIER   -63.6   -55.6  Favored   5   6  0.20   8  0.23  molprobity     1  True   
157  157  ?         -52.1   -51.3  Favored   5   5  0.16   7  0.24  molprobity     1  True   
158  158  m         -63.1   -46.1  Favored   5   6  0.18   8  0.24  molprobity     1  True   
159  159  ?         -51.5   -48.5  Favored   5   5  0.16   7  0.24  molprobity     1  True   
160  160  t         -69.7   -48.3  Favored   9   7  0.14  10  0.46  molprobity     1  True   
161  161  ttm180    -59.1   -21.9  Favored  13  11  0.15  14  0.26  molprobity     1  True   
162  162  m         -86.7   -51.0  Favored   4   6  0.19   8  0.24  molprobity     1  True   
163  163  OUTLIER   -62.4   -25.7  Favored  11   8  0.19  11  0.25  molprobity     1  True   
164  164  ?         -81.1   -23.6  Favored   5   5  0.14   7  0.23  molprobity     1  True   
165  165  mt-30     -93.5    17.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
166  166  mtp180     63.5    52.5  Favored  13  11  0.15  14  0.26  molprobity     1  True   
167  167  mmm180   -132.0    14.7  Favored  13  11  0.16  14  0.26  molprobity     1  True   
168  168  tptm       51.7    30.1  Favored  13   9  0.20  11  0.27  molprobity     1  True   
169  169  ?          82.3   178.9  Favored   3   4  0.20   5  0.36  molprobity     1  True   
170  170  ?        -151.4  -152.3  Favored   3   4  0.22   5  0.22  molprobity     1  True   
171  171  OUTLIER  -155.9   163.6  Favored  13   9  0.22  11  0.21  molprobity     1  True   
172  172  OUTLIER  -103.4   104.8  Favored   5   6  0.18   8  0.25  molprobity     1  True   
173  173  OUTLIER   -94.2    99.1  Favored  13   9  0.22  11  0.21  molprobity     ?  False  
174  174  m-80       55.9    28.4  Favored   6   8  0.20  11  0.34  molprobity     ?  False  
175  175  ?         109.1   -29.1  Favored   3   4  0.25   5  0.23  molprobity     ?  False  
176  176  m-20      -74.0   117.7  Favored   4   8  0.15  11  0.25  molprobity     ?  False  
177  177  m         -80.2    95.5  Favored   5   6  0.18   8  0.24  molprobity     ?  False  
178  178  t         -95.6   137.5  Favored   9   7  0.15  10  0.45  molprobity     ?  False  
179  179  m        -108.8   122.3  Favored   4   6  0.21   8  0.23  molprobity     ?  False  
180  180  OUTLIER       ?       ?  ?        13  10  0.13  11  0.25  molprobity     ?  False  
181  181  m-85          ?       ?  ?        11  12  0.34  16  0.21  molprobity     ?  False  
182  182  t        -145.6    27.8  Allowed   5   6  0.20   8  0.23  molprobity     ?  False  
183  183  t          53.4    71.9  Allowed   5   6  0.20   8  0.24  molprobity     ?  False  
184  184  m-20      -85.1    96.8  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
185  185  t-160     -58.7   -29.4  Favored   7  11  0.14  15  0.20  molprobity     1  True   
186  186  m         -66.1   -58.7  Favored   5   6  0.20   8  0.23  molprobity     1  True   
187  187  ?         -51.9   -42.8  Favored   5   5  0.17   7  0.24  molprobity     1  True   
188  188  t         -69.0   -47.5  Favored   5   6  0.19   8  0.24  molprobity     1  True   
189  189  ?         -51.5   -48.5  Favored   5   5  0.14   7  0.24  molprobity     1  True   
190  190  t         -69.6   -48.4  Favored   9   7  0.15  10  0.46  molprobity     1  True   
191  191  ttp85     -59.0   -21.9  Favored  13  11  0.16  14  0.25  molprobity     1  True   
192  192  m         -86.7   -51.0  Favored   4   6  0.21   8  0.25  molprobity     1  True   
193  193  OUTLIER   -62.4   -25.8  Favored  11   8  0.18  11  0.25  molprobity     1  True   
194  194  ?         -81.1   -23.5  Favored   5   5  0.15   7  0.23  molprobity     1  True   
195  195  mt-30     -93.6    17.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
196  196  mmt180     63.4    52.5  Favored  13  11  0.15  14  0.24  molprobity     1  True   
197  197  mmt180   -132.1    14.8  Favored  13  11  0.16  14  0.26  molprobity     1  True   
198  198  mtpt       51.8    30.0  Favored  13   9  0.21  11  0.27  molprobity     1  True   
199  199  ?          82.3  -179.7  Favored   3   4  0.21   5  0.36  molprobity     1  True   
200  200  ?        -149.1  -151.1  Favored   3   4  0.24   5  0.22  molprobity     1  True   
201  201  OUTLIER  -159.7   163.4  Favored  13   9  0.22  11  0.20  molprobity     1  True   
202  202  OUTLIER   -87.9   130.7  Favored   5   6  0.19   8  0.25  molprobity     1  True   
203  203  OUTLIER  -116.0    87.2  Favored  13   9  0.22  11  0.20  molprobity     ?  False  
204  204  m-80       52.0    47.9  Favored   6   8  0.22  11  0.34  molprobity     ?  False  
205  205  ?          99.2   -26.0  Favored   3   4  0.25   5  0.21  molprobity     ?  False  
206  206  m-20      -82.0   175.1  Favored   4   8  0.17  11  0.24  molprobity     ?  False  
207  207  t        -130.7   108.1  Favored   5   6  0.20   8  0.24  molprobity     ?  False  
208  208  t        -106.2   132.7  Favored   9   7  0.16  10  0.45  molprobity     ?  False  
209  209  m        -102.2   120.2  Favored   4   6  0.18   8  0.24  molprobity     ?  False  
210  210  mtm180        ?       ?  ?        13  10  0.12  11  0.24  molprobity     ?  False  
211  211  p90           ?       ?  ?        11  12  0.33  16  0.22  molprobity     ?  False  
212  212  m          57.6    41.5  Favored   5   6  0.19   8  0.23  molprobity     ?  False  
213  213  t          57.0    61.1  Favored   4   6  0.19   8  0.25  molprobity     ?  False  
214  214  OUTLIER   -90.4   106.0  Favored   4   8  0.15  11  0.24  molprobity     ?  False  
215  215  m-70      -56.2   -34.8  Favored   7  11  0.14  15  0.20  molprobity     1  True   
216  216  m         -65.3   -55.3  Favored   5   6  0.19   8  0.23  molprobity     1  True   
217  217  ?         -52.0   -50.7  Favored   5   5  0.15   7  0.25  molprobity     1  True   
218  218  t         -65.0   -44.7  Favored   4   6  0.18   8  0.24  molprobity     1  True   
219  219  ?         -51.6   -48.5  Favored   5   5  0.15   7  0.23  molprobity     1  True   
220  220  t         -69.7   -48.3  Favored   9   7  0.15  10  0.46  molprobity     1  True   
221  221  ttp180    -59.1   -21.9  Favored  13  11  0.16  14  0.25  molprobity     1  True   
222  222  m         -86.7   -50.9  Favored   4   6  0.20   8  0.24  molprobity     1  True   
223  223  OUTLIER   -62.5   -25.8  Favored  11   8  0.18  11  0.24  molprobity     1  True   
224  224  ?         -81.1   -23.6  Favored   5   5  0.14   7  0.24  molprobity     1  True   
225  225  mt-30     -93.6    17.6  Favored   8   9  0.22  12  0.27  molprobity     1  True   
226  226  OUTLIER    63.5    52.5  Favored  13  11  0.16  14  0.25  molprobity     1  True   
227  227  OUTLIER  -132.1    14.8  Favored  13  11  0.16  14  0.26  molprobity     1  True   
228  228  OUTLIER    51.8    30.0  Favored  13   9  0.21  11  0.27  molprobity     1  True   
229  229  ?          82.3   175.9  Favored   3   4  0.21   5  0.36  molprobity     1  True   
230  230  ?        -151.3  -152.4  Favored   3   4  0.22   5  0.22  molprobity     1  True   
231  231  OUTLIER  -155.8   167.6  Favored  13   9  0.22  11  0.20  molprobity     1  True   
232  232  t         -90.0   139.4  Favored   4   6  0.20   8  0.24  molprobity     1  True   
233  233  tttt     -118.7    82.7  Allowed  13   9  0.23  11  0.22  molprobity     ?  False  
234  234  m-80       52.1    41.7  Favored   6   8  0.20  11  0.34  molprobity     ?  False  
235  235  ?         109.2   -25.2  Favored   3   4  0.23   5  0.22  molprobity     ?  False  
236  236  OUTLIER   -84.1   168.3  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
237  237  t        -120.3   103.1  Favored   4   6  0.19   8  0.24  molprobity     ?  False  
238  238  t        -101.5   135.6  Favored   9   7  0.16  10  0.45  molprobity     ?  False  
239  239  m        -111.5   122.9  Favored   4   6  0.18   8  0.25  molprobity     ?  False  
240  240  mtp180        ?       ?  ?        13  10  0.13  11  0.24  molprobity     ?  False  
241  241  m-85          ?       ?  ?        11  12  0.33  16  0.22  molprobity     ?  False  
242  242  OUTLIER  -176.6   135.2  Allowed   5   6  0.20   8  0.23  molprobity     ?  False  
243  243  p        -102.9    27.8  Favored   5   6  0.20   8  0.25  molprobity     ?  False  
244  244  t0         61.7    96.1  OUTLIER   4   8  0.15  11  0.24  molprobity     ?  False  
245  245  m-70      -54.6   -27.4  Favored   7  11  0.14  15  0.20  molprobity     1  True   
246  246  OUTLIER   -72.3   -52.4  Favored   5   6  0.20   8  0.23  molprobity     1  True   
247  247  ?         -52.0   -50.1  Favored   5   5  0.17   7  0.24  molprobity     1  True   
248  248  t         -66.2   -44.6  Favored   4   6  0.19   8  0.24  molprobity     1  True   
249  249  ?         -51.6   -48.4  Favored   5   5  0.14   7  0.24  molprobity     1  True   
250  250  t         -69.7   -48.2  Favored   9   7  0.15  10  0.46  molprobity     1  True   
251  251  ttp180    -59.2   -21.9  Favored  13  11  0.15  14  0.24  molprobity     1  True   
252  252  m         -86.7   -50.8  Favored   4   6  0.20   8  0.24  molprobity     1  True   
253  253  OUTLIER   -62.5   -25.8  Favored  11   8  0.18  11  0.25  molprobity     1  True   
254  254  ?         -81.0   -23.7  Favored   5   5  0.15   7  0.24  molprobity     1  True   
255  255  OUTLIER   -93.5    17.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
256  256  mmm-85     63.5    52.5  Favored  13  11  0.15  14  0.26  molprobity     1  True   
257  257  mmt85    -131.9    14.7  Favored  13  11  0.15  14  0.25  molprobity     1  True   
258  258  OUTLIER    51.7    30.1  Favored  13   9  0.21  11  0.27  molprobity     1  True   
259  259  ?          82.2   178.9  Favored   3   4  0.25   5  0.37  molprobity     1  True   
260  260  ?        -159.8  -147.2  Favored   3   4  0.24   5  0.21  molprobity     1  True   
261  261  OUTLIER  -159.4   165.7  Favored  13   9  0.23  11  0.21  molprobity     1  True   
262  262  m         -96.0   148.0  Favored   5   6  0.20   8  0.24  molprobity     1  True   
263  263  mttm     -137.8    97.4  Favored  13   9  0.23  11  0.20  molprobity     ?  False  
264  264  m-80       52.2    47.8  Favored   6   8  0.20  11  0.33  molprobity     ?  False  
265  265  ?          94.0   -28.3  Favored   3   4  0.26   5  0.22  molprobity     ?  False  
266  266  m-20      -74.1   161.7  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
267  267  t        -121.8    99.5  Favored   4   6  0.20   8  0.24  molprobity     ?  False  
268  268  t         -93.6   137.3  Favored   9   7  0.15  10  0.45  molprobity     ?  False  
269  269  m        -115.4   122.2  Favored   4   6  0.19   8  0.25  molprobity     ?  False  
270  270  mtm180        ?       ?  ?        13  10  0.14  11  0.24  molprobity     ?  False  
271  271  p90           ?       ?  ?        11  12  0.34  16  0.22  molprobity     ?  False  
272  272  m        -164.6   123.2  Allowed   5   6  0.20   8  0.24  molprobity     ?  False  
273  273  t         -59.9   100.0  Allowed   5   6  0.19   8  0.24  molprobity     ?  False  
274  274  OUTLIER   -73.9   108.2  Favored   4   8  0.14  11  0.24  molprobity     ?  False  
275  275  t-160     -55.0   -35.7  Favored   7  11  0.13  15  0.20  molprobity     1  True   
276  276  m         -62.9   -51.8  Favored   5   6  0.18   8  0.23  molprobity     1  True   
277  277  ?         -52.2   -49.5  Favored   5   5  0.14   7  0.24  molprobity     1  True   
278  278  m         -66.3   -45.0  Favored   5   6  0.18   8  0.24  molprobity     1  True   
279  279  ?         -51.5   -48.4  Favored   5   5  0.15   7  0.23  molprobity     1  True   
280  280  t         -69.8   -48.3  Favored   9   7  0.15  10  0.46  molprobity     1  True   
281  281  ttm180    -59.1   -21.9  Favored  13  11  0.15  14  0.25  molprobity     1  True   
282  282  m         -86.7   -50.9  Favored   4   6  0.19   8  0.24  molprobity     1  True   
283  283  OUTLIER   -62.5   -25.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
284  284  ?         -81.0   -23.9  Favored   5   5  0.15   7  0.24  molprobity     1  True   
285  285  mt-30     -93.6    17.7  Favored   8   9  0.21  12  0.26  molprobity     1  True   
286  286  mtp180     63.5    52.5  Favored  13  11  0.15  14  0.25  molprobity     1  True   
287  287  OUTLIER  -131.9    14.6  Favored  13  11  0.16  14  0.25  molprobity     1  True   
288  288  mttt       51.7    30.1  Favored  13   9  0.21  11  0.27  molprobity     1  True   
289  289  ?          82.1  -179.7  Favored   3   4  0.24   5  0.36  molprobity     1  True   
290  290  ?        -155.6  -151.5  Favored   3   4  0.24   5  0.21  molprobity     1  True   
291  291  OUTLIER  -158.7   160.2  Favored  13   9  0.21  11  0.21  molprobity     1  True   
292  292  OUTLIER   -92.5   138.0  Favored   5   6  0.20   8  0.24  molprobity     1  True   
293  293  tttm     -131.3    91.6  Favored  13   9  0.22  11  0.20  molprobity     ?  False  
294  294  m-20       56.3    28.7  Favored   6   8  0.19  11  0.33  molprobity     ?  False  
295  295  ?         111.4   -28.6  Favored   3   4  0.24   5  0.22  molprobity     ?  False  
296  296  m-20      -81.8   113.5  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
297  297  m         -80.7   100.3  Favored   5   6  0.18   8  0.24  molprobity     ?  False  
298  298  t         -89.6   132.9  Favored   9   7  0.17  10  0.45  molprobity     ?  False  
299  299  m        -107.6   121.0  Favored   4   6  0.18   8  0.24  molprobity     ?  False  
300  300  mtm180        ?       ?  ?        13  10  0.13  11  0.24  molprobity     ?  False  
301  301  OUTLIER       ?       ?  ?        11  12  0.34  16  0.22  molprobity     ?  False  
302  302  t        -159.2    38.8  Allowed   5   6  0.19   8  0.24  molprobity     ?  False  
303  303  t         -80.0    59.9  Favored   4   6  0.20   8  0.25  molprobity     ?  False  
304  304  m-20      -76.0    95.9  Favored   4   8  0.15  11  0.24  molprobity     ?  False  
305  305  t-160     -60.7   -32.3  Favored   7  11  0.14  15  0.20  molprobity     1  True   
306  306  OUTLIER   -64.5   -57.5  Favored   5   6  0.20   8  0.24  molprobity     1  True   
307  307  ?         -51.9   -45.0  Favored   5   5  0.15   7  0.24  molprobity     1  True   
308  308  m         -66.9   -47.5  Favored   5   6  0.17   8  0.24  molprobity     1  True   
309  309  ?         -51.5   -48.4  Favored   5   5  0.14   7  0.23  molprobity     1  True   
310  310  t         -69.8   -48.2  Favored   9   7  0.15  10  0.45  molprobity     1  True   
311  311  ttp85     -59.2   -21.8  Favored  13  11  0.15  14  0.26  molprobity     1  True   
312  312  m         -86.8   -50.9  Favored   4   6  0.19   8  0.25  molprobity     1  True   
313  313  OUTLIER   -62.4   -25.8  Favored  11   8  0.18  11  0.24  molprobity     1  True   
314  314  ?         -81.0   -23.8  Favored   5   5  0.15   7  0.24  molprobity     1  True   
315  315  mt-30     -93.6    17.7  Favored   8   9  0.21  12  0.26  molprobity     1  True   
316  316  mtp85      63.5    52.5  Favored  13  11  0.16  14  0.26  molprobity     1  True   
317  317  mmm180   -131.9    14.7  Favored  13  11  0.16  14  0.25  molprobity     1  True   
318  318  OUTLIER    51.8    30.0  Favored  13   9  0.20  11  0.27  molprobity     1  True   
319  319  ?          82.2  -177.4  Favored   3   4  0.20   5  0.36  molprobity     1  True   
320  320  ?        -153.2  -151.4  Favored   3   4  0.26   5  0.21  molprobity     1  True   
321  321  OUTLIER  -158.8   162.0  Favored  13   9  0.23  11  0.21  molprobity     1  True   
322  322  OUTLIER   -81.4   142.7  Favored   4   6  0.19   8  0.24  molprobity     1  True   
323  323  OUTLIER  -127.2    86.7  Favored  13   9  0.22  11  0.20  molprobity     ?  False  
324  324  m120       52.4    39.0  Favored   6   8  0.19  11  0.34  molprobity     ?  False  
325  325  ?         107.3   -24.1  Favored   3   4  0.23   5  0.21  molprobity     ?  False  
326  326  m-20      -83.0  -179.6  Favored   4   8  0.17  11  0.24  molprobity     ?  False  
327  327  m        -133.4   104.9  Favored   5   6  0.19   8  0.25  molprobity     ?  False  
328  328  t        -102.8   134.6  Favored   9   7  0.16  10  0.45  molprobity     ?  False  
329  329  m        -102.9   120.6  Favored   4   6  0.18   8  0.25  molprobity     ?  False  
330  330  OUTLIER       ?       ?  ?        13  10  0.14  11  0.25  molprobity     ?  False  
331  331  t80           ?       ?  ?        11  12  0.34  16  0.22  molprobity     ?  False  
332  332  p        -157.9   123.0  Favored   5   6  0.20   8  0.22  molprobity     ?  False  
333  333  t         -62.6    98.9  Allowed   5   6  0.19   8  0.25  molprobity     ?  False  
334  334  m-20      -81.1    91.0  Favored   4   8  0.15  11  0.24  molprobity     ?  False  
335  335  t60       -54.0   -28.3  Favored   7  11  0.15  15  0.20  molprobity     1  True   
336  336  m         -65.8   -57.5  Favored   5   6  0.20   8  0.24  molprobity     1  True   
337  337  ?         -51.8   -44.1  Favored   5   5  0.15   7  0.24  molprobity     1  True   
338  338  m         -68.6   -46.8  Favored   5   6  0.19   8  0.25  molprobity     1  True   
339  339  ?         -51.5   -48.5  Favored   5   5  0.15   7  0.25  molprobity     1  True   
340  340  t         -69.7   -48.3  Favored   9   7  0.15  10  0.45  molprobity     1  True   
341  341  OUTLIER   -59.1   -21.9  Favored  13  11  0.15  14  0.27  molprobity     1  True   
342  342  m         -86.7   -51.0  Favored   4   6  0.21   8  0.25  molprobity     1  True   
343  343  OUTLIER   -62.4   -25.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
344  344  ?         -81.0   -23.5  Favored   5   5  0.15   7  0.24  molprobity     1  True   
345  345  mt-30     -93.7    17.6  Favored   8   9  0.22  12  0.27  molprobity     1  True   
346  346  mtt180     63.5    52.5  Favored  13  11  0.15  14  0.25  molprobity     1  True   
347  347  mmm180   -132.1    14.7  Favored  13  11  0.17  14  0.26  molprobity     1  True   
348  348  OUTLIER    51.8    30.0  Favored  13   9  0.20  11  0.27  molprobity     1  True   
349  349  ?          82.3   179.4  Favored   3   4  0.19   5  0.35  molprobity     1  True   
350  350  ?        -151.1  -152.3  Favored   3   4  0.24   5  0.21  molprobity     1  True   
351  351  OUTLIER  -159.0   164.6  Favored  13   9  0.22  11  0.21  molprobity     1  True   
352  352  OUTLIER   -85.2   139.5  Favored   5   6  0.18   8  0.24  molprobity     1  True   
353  353  tttt     -128.5    96.2  Favored  13   9  0.22  11  0.21  molprobity     ?  False  
354  354  m120       52.1    36.9  Favored   6   8  0.20  11  0.34  molprobity     ?  False  
355  355  ?         104.8   -28.2  Favored   3   4  0.24   5  0.21  molprobity     ?  False  
356  356  m-20      -78.2   177.3  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
357  357  m        -129.8   104.8  Favored   5   6  0.18   8  0.25  molprobity     ?  False  
358  358  t         -99.7   135.7  Favored   9   7  0.16  10  0.44  molprobity     ?  False  
359  359  m        -105.4   121.7  Favored   4   6  0.20   8  0.24  molprobity     ?  False  
360  360  mmm180        ?       ?  ?        13  10  0.13  11  0.26  molprobity     ?  False  
361  361  m-85          ?       ?  ?        11  12  0.34  16  0.22  molprobity     ?  False  
362  362  OUTLIER  -176.8   129.0  Allowed   5   6  0.19   8  0.23  molprobity     ?  False  
363  363  t         -62.2    96.3  Allowed   5   6  0.19   8  0.24  molprobity     ?  False  
364  364  OUTLIER   -85.8   125.4  Favored   4   8  0.15  11  0.25  molprobity     ?  False  
365  365  m-70      -56.9   -29.0  Favored   7  11  0.14  15  0.20  molprobity     1  True   
366  366  m         -64.3   -57.0  Favored   5   6  0.18   8  0.22  molprobity     1  True   
367  367  ?         -51.8   -52.4  Favored   5   5  0.15   7  0.24  molprobity     1  True   
368  368  t         -62.0   -45.9  Favored   4   6  0.19   8  0.24  molprobity     1  True   
369  369  ?         -51.6   -48.4  Favored   5   5  0.17   7  0.23  molprobity     1  True   
370  370  t         -69.8   -48.3  Favored   9   7  0.15  10  0.45  molprobity     1  True   
371  371  ttm-85    -59.1   -21.9  Favored  13  11  0.16  14  0.25  molprobity     1  True   
372  372  m         -86.8   -50.9  Favored   4   6  0.20   8  0.24  molprobity     1  True   
373  373  OUTLIER   -62.4   -25.8  Favored  11   8  0.19  11  0.25  molprobity     1  True   
374  374  ?         -81.0   -23.6  Favored   5   5  0.15   7  0.25  molprobity     1  True   
375  375  OUTLIER   -93.6    17.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
376  376  mmt-85     63.5    52.5  Favored  13  11  0.15  14  0.24  molprobity     1  True   
377  377  OUTLIER  -132.0    14.7  Favored  13  11  0.16  14  0.24  molprobity     1  True   
378  378  ttmm       51.8    30.1  Favored  13   9  0.22  11  0.28  molprobity     1  True   
379  379  ?          82.3   178.3  Favored   3   4  0.22   5  0.37  molprobity     1  True   
380  380  ?        -159.7  -150.3  Favored   3   4  0.24   5  0.22  molprobity     1  True   
381  381  OUTLIER  -157.7   169.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
382  382  OUTLIER   -95.7   151.0  Favored   5   6  0.20   8  0.25  molprobity     1  True   
383  383  OUTLIER  -137.8    96.4  Favored  13   9  0.21  11  0.20  molprobity     ?  False  
384  384  m-20       52.2    40.8  Favored   6   8  0.21  11  0.34  molprobity     ?  False  
385  385  ?         103.7   -31.9  Favored   3   4  0.26   5  0.23  molprobity     ?  False  
386  386  m-20      -71.6   169.6  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
387  387  t        -127.9    98.0  Favored   4   6  0.20   8  0.25  molprobity     ?  False  
388  388  t         -91.4   137.6  Favored   9   7  0.16  10  0.45  molprobity     ?  False  
389  389  m        -114.8   120.9  Favored   4   6  0.19   8  0.24  molprobity     ?  False  
390  390  mtm-85        ?       ?  ?        13  10  0.13  11  0.24  molprobity     ?  False  
391  391  m-85          ?       ?  ?        11  12  0.35  16  0.22  molprobity     ?  False  
392  392  OUTLIER  -140.9    27.3  Favored   5   6  0.20   8  0.24  molprobity     ?  False  
393  393  t          53.3    69.3  Allowed   5   6  0.20   8  0.24  molprobity     ?  False  
394  394  OUTLIER   -75.8    98.0  Favored   4   8  0.16  11  0.23  molprobity     ?  False  
395  395  t60       -59.4   -27.5  Favored   7  11  0.14  15  0.20  molprobity     1  True   
396  396  OUTLIER   -67.4   -57.0  Favored   5   6  0.19   8  0.24  molprobity     1  True   
397  397  ?         -52.0   -44.9  Favored   5   5  0.16   7  0.23  molprobity     1  True   
398  398  m         -67.4   -47.2  Favored   5   6  0.18   8  0.25  molprobity     1  True   
399  399  ?         -51.5   -48.5  Favored   5   5  0.15   7  0.23  molprobity     1  True   
400  400  t         -69.7   -48.3  Favored   9   7  0.14  10  0.45  molprobity     1  True   
401  401  ttp180    -59.0   -21.9  Favored  13  11  0.15  14  0.26  molprobity     1  True   
402  402  m         -86.7   -50.9  Favored   4   6  0.19   8  0.24  molprobity     1  True   
403  403  OUTLIER   -62.4   -25.9  Favored  11   8  0.20  11  0.24  molprobity     1  True   
404  404  ?         -81.0   -23.6  Favored   5   5  0.14   7  0.23  molprobity     1  True   
405  405  mt-30     -93.6    17.6  Favored   8   9  0.22  12  0.27  molprobity     1  True   
406  406  mtt180     63.6    52.5  Favored  13  11  0.15  14  0.24  molprobity     1  True   
407  407  mmt-85   -132.0    14.6  Favored  13  11  0.16  14  0.24  molprobity     1  True   
408  408  OUTLIER    51.8    30.0  Favored  13   9  0.20  11  0.27  molprobity     1  True   
409  409  ?          82.3  -178.8  Favored   3   4  0.21   5  0.36  molprobity     1  True   
410  410  ?        -153.7  -150.5  Favored   3   4  0.24   5  0.21  molprobity     1  True   
411  411  OUTLIER  -159.9   164.1  Favored  13   9  0.22  11  0.22  molprobity     1  True   
412  412  OUTLIER   -80.3   147.8  Favored   5   6  0.19   8  0.24  molprobity     1  True   
413  413  tptp     -131.5    84.6  Favored  13   9  0.22  11  0.20  molprobity     ?  False  
414  414  m-20       52.5    43.0  Favored   6   8  0.20  11  0.33  molprobity     ?  False  
415  415  ?         105.0   -27.0  Favored   3   4  0.24   5  0.21  molprobity     ?  False  
416  416  m-20      -84.2   176.0  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
417  417  m        -127.5   110.0  Favored   5   6  0.18   8  0.23  molprobity     ?  False  
418  418  t        -105.0   139.8  Favored   9   7  0.17  10  0.45  molprobity     ?  False  
419  419  m        -110.5   123.5  Favored   4   6  0.18   8  0.24  molprobity     ?  False  
420  420  mmt180        ?       ?  ?        13  10  0.13  11  0.23  molprobity     ?  False  
421  421  m-85          ?       ?  ?        11  12  0.33  16  0.22  molprobity     ?  False  
422  422  OUTLIER  -167.7   124.2  Allowed   5   6  0.19   8  0.23  molprobity     ?  False  
423  423  t         -63.6    98.7  Allowed   4   6  0.19   8  0.25  molprobity     ?  False  
424  424  OUTLIER   -78.4   113.0  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
425  425  t60       -60.7   -28.2  Favored   7  11  0.15  15  0.19  molprobity     1  True   
426  426  m         -68.3   -57.5  Favored   5   6  0.20   8  0.23  molprobity     1  True   
427  427  ?         -52.0   -48.0  Favored   5   5  0.16   7  0.25  molprobity     1  True   
428  428  m         -65.4   -46.7  Favored   4   6  0.17   8  0.25  molprobity     1  True   
429  429  ?         -51.5   -48.5  Favored   5   5  0.16   7  0.24  molprobity     1  True   
430  430  t         -69.7   -48.3  Favored   9   7  0.14  10  0.45  molprobity     1  True   
431  431  ttp180    -59.1   -21.9  Favored  13  11  0.15  14  0.25  molprobity     1  True   
432  432  m         -86.7   -50.9  Favored   4   6  0.19   8  0.25  molprobity     1  True   
433  433  OUTLIER   -62.4   -25.8  Favored  11   8  0.18  11  0.24  molprobity     1  True   
434  434  ?         -81.1   -23.6  Favored   5   5  0.16   7  0.24  molprobity     1  True   
435  435  mt-30     -93.5    17.5  Favored   8   9  0.21  12  0.27  molprobity     1  True   
436  436  mtt85      63.6    52.4  Favored  13  11  0.16  14  0.27  molprobity     1  True   
437  437  OUTLIER  -132.0    14.7  Favored  13  11  0.16  14  0.25  molprobity     1  True   
438  438  OUTLIER    51.8    30.0  Favored  13   9  0.21  11  0.27  molprobity     1  True   
439  439  ?          82.3  -178.8  Favored   3   4  0.20   5  0.36  molprobity     1  True   
440  440  ?        -154.6  -151.3  Favored   3   4  0.24   5  0.21  molprobity     1  True   
441  441  OUTLIER  -159.9   159.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
442  442  m         -91.6   133.9  Favored   4   6  0.20   8  0.25  molprobity     1  True   
443  443  tttt     -130.0    93.2  Favored  13   9  0.21  11  0.21  molprobity     ?  False  
444  444  m120       52.5    36.4  Favored   6   8  0.21  11  0.34  molprobity     ?  False  
445  445  ?         104.5   -30.7  Favored   3   4  0.25   5  0.23  molprobity     ?  False  
446  446  m-20      -82.7   109.2  Favored   4   8  0.15  11  0.24  molprobity     ?  False  
447  447  m         -80.4   100.4  Favored   4   6  0.19   8  0.24  molprobity     ?  False  
448  448  t         -86.1   132.8  Favored   9   7  0.16  10  0.45  molprobity     ?  False  
449  449  m        -106.5   120.6  Favored   4   6  0.19   8  0.24  molprobity     ?  False  
450  450  mtm180        ?       ?  ?        13  10  0.12  11  0.24  molprobity     ?  False  
451  451  m-85          ?       ?  ?        11  12  0.34  16  0.23  molprobity     ?  False  
452  452  OUTLIER  -156.0   110.8  Favored   5   6  0.20   8  0.24  molprobity     ?  False  
453  453  t         -64.6    93.7  Allowed   5   6  0.20   8  0.24  molprobity     ?  False  
454  454  m-20      -80.5   101.2  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
455  455  t60       -59.3   -26.4  Favored   7  11  0.15  15  0.20  molprobity     1  True   
456  456  m         -66.4   -57.9  Favored   5   6  0.20   8  0.23  molprobity     1  True   
457  457  ?         -51.9   -44.8  Favored   5   5  0.15   7  0.24  molprobity     1  True   
458  458  t         -68.3   -46.4  Favored   5   6  0.18   8  0.24  molprobity     1  True   
459  459  ?         -51.5   -48.5  Favored   5   5  0.15   7  0.23  molprobity     1  True   
460  460  t         -69.7   -48.2  Favored   9   7  0.15  10  0.46  molprobity     1  True   
461  461  ttp180    -59.1   -21.9  Favored  13  11  0.16  14  0.25  molprobity     1  True   
462  462  m         -86.8   -50.9  Favored   4   6  0.21   8  0.24  molprobity     1  True   
463  463  OUTLIER   -62.4   -25.8  Favored  11   8  0.19  11  0.25  molprobity     1  True   
464  464  ?         -81.0   -23.6  Favored   5   5  0.15   7  0.24  molprobity     1  True   
465  465  OUTLIER   -93.6    17.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
466  466  mtt180     63.5    52.5  Favored  13  11  0.15  14  0.24  molprobity     1  True   
467  467  OUTLIER  -132.1    14.7  Favored  13  11  0.16  14  0.26  molprobity     1  True   
468  468  OUTLIER    51.8    30.0  Favored  13   9  0.21  11  0.27  molprobity     1  True   
469  469  ?          82.3  -175.9  Favored   3   4  0.22   5  0.36  molprobity     1  True   
470  470  ?        -159.3  -151.6  Favored   3   4  0.25   5  0.21  molprobity     1  True   
471  471  OUTLIER  -159.3   169.7  Favored  13   9  0.23  11  0.21  molprobity     1  True   
472  472  OUTLIER   -85.7   151.6  Favored   5   6  0.18   8  0.25  molprobity     1  True   
473  473  OUTLIER  -135.4    90.4  Favored  13   9  0.23  11  0.21  molprobity     ?  False  
474  474  m120       52.0    35.8  Favored   6   8  0.20  11  0.33  molprobity     ?  False  
475  475  ?         107.6   -21.9  Favored   3   4  0.23   5  0.21  molprobity     ?  False  
476  476  m-20      -85.2   174.5  Favored   4   8  0.18  11  0.23  molprobity     ?  False  
477  477  t        -123.8   110.9  Favored   5   6  0.18   8  0.24  molprobity     ?  False  
478  478  t        -109.2   138.2  Favored   9   7  0.15  10  0.46  molprobity     ?  False  
479  479  m        -108.7   122.7  Favored   4   6  0.19   8  0.26  molprobity     ?  False  
480  480  OUTLIER       ?       ?  ?        13  10  0.13  11  0.23  molprobity     ?  False  
481  481  m-85          ?       ?  ?        11  12  0.34  16  0.21  molprobity     ?  False  
482  482  m         -99.0    31.9  Favored   5   6  0.19   8  0.24  molprobity     ?  False  
483  483  t          52.5    87.8  OUTLIER   4   6  0.18   8  0.25  molprobity     ?  False  
484  484  OUTLIER   -94.3    99.9  Favored   4   8  0.16  11  0.23  molprobity     ?  False  
485  485  t-160     -63.4   -30.0  Favored   7  11  0.14  15  0.20  molprobity     1  True   
486  486  OUTLIER   -65.9   -57.5  Favored   5   6  0.20   8  0.24  molprobity     1  True   
487  487  ?         -52.0   -45.9  Favored   5   5  0.15   7  0.24  molprobity     1  True   
488  488  m         -67.4   -46.2  Favored   5   6  0.17   8  0.24  molprobity     1  True   
489  489  ?         -51.5   -48.5  Favored   5   5  0.14   7  0.25  molprobity     1  True   
490  490  t         -69.8   -48.2  Favored   9   7  0.16  10  0.46  molprobity     1  True   
491  491  ttm180    -59.1   -21.8  Favored  13  11  0.15  14  0.26  molprobity     1  True   
492  492  m         -86.8   -50.9  Favored   4   6  0.19   8  0.25  molprobity     1  True   
493  493  OUTLIER   -62.5   -25.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
494  494  ?         -81.1   -23.6  Favored   5   5  0.15   7  0.24  molprobity     1  True   
495  495  mt-30     -93.6    17.6  Favored   8   9  0.22  12  0.26  molprobity     1  True   
496  496  mmp_?      63.5    52.5  Favored  13  11  0.16  14  0.25  molprobity     1  True   
497  497  mmm-85   -132.1    14.7  Favored  13  11  0.16  14  0.26  molprobity     1  True   
498  498  mtmp?      51.7    30.1  Favored  13   9  0.21  11  0.28  molprobity     1  True   
499  499  ?          82.3  -175.6  Favored   3   4  0.21   5  0.35  molprobity     1  True   
500  500  ?        -156.2  -151.6  Favored   3   4  0.22   5  0.20  molprobity     1  True   
501  501  OUTLIER  -159.5   164.8  Favored  13   9  0.22  11  0.20  molprobity     1  True   
502  502  OUTLIER   -81.5   142.5  Favored   4   6  0.20   8  0.24  molprobity     1  True   
503  503  tttt     -127.6    89.0  Favored  13   9  0.22  11  0.21  molprobity     ?  False  
504  504  m-80       52.1    41.0  Favored   6   8  0.21  11  0.34  molprobity     ?  False  
505  505  ?         104.7   -27.4  Favored   3   4  0.23   5  0.22  molprobity     ?  False  
506  506  m-20      -82.2   178.4  Favored   4   8  0.17  11  0.24  molprobity     ?  False  
507  507  m        -129.3   109.0  Favored   5   6  0.18   8  0.24  molprobity     ?  False  
508  508  t        -105.1   137.5  Favored   9   7  0.15  10  0.46  molprobity     ?  False  
509  509  m        -105.5   121.9  Favored   4   6  0.20   8  0.24  molprobity     ?  False  
510  510  OUTLIER       ?       ?  ?        13  10  0.13  11  0.26  molprobity     ?  False  
511  511  m-85          ?       ?  ?        11  12  0.33  16  0.23  molprobity     ?  False  
512  512  OUTLIER  -157.7   128.2  Favored   5   6  0.20   8  0.23  molprobity     ?  False  
513  513  t         -57.7    99.9  OUTLIER   5   6  0.19   8  0.24  molprobity     ?  False  
514  514  OUTLIER   -77.8   119.2  Favored   4   8  0.16  11  0.25  molprobity     ?  False  
515  515  m170      -58.5   -27.4  Favored   7  11  0.15  15  0.20  molprobity     1  True   
516  516  m         -65.2   -56.4  Favored   5   6  0.19   8  0.23  molprobity     1  True   
517  517  ?         -51.8   -50.7  Favored   5   5  0.15   7  0.24  molprobity     1  True   
518  518  t         -64.1   -45.5  Favored   5   6  0.18   8  0.25  molprobity     1  True   
519  519  ?         -51.5   -48.5  Favored   5   5  0.15   7  0.24  molprobity     1  True   
520  520  t         -69.6   -48.3  Favored   9   7  0.16  10  0.45  molprobity     1  True   
521  521  ttm180    -59.1   -21.9  Favored  13  11  0.17  14  0.24  molprobity     1  True   
522  522  m         -86.8   -50.8  Favored   4   6  0.21   8  0.24  molprobity     1  True   
523  523  OUTLIER   -62.5   -25.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
524  524  ?         -81.0   -23.6  Favored   5   5  0.15   7  0.24  molprobity     1  True   
525  525  mt-30     -93.6    17.5  Favored   8   9  0.21  12  0.27  molprobity     1  True   
526  526  mtt180     63.6    52.5  Favored  13  11  0.16  14  0.24  molprobity     1  True   
527  527  OUTLIER  -132.0    14.7  Favored  13  11  0.16  14  0.26  molprobity     1  True   
528  528  OUTLIER    51.8    30.0  Favored  13   9  0.21  11  0.28  molprobity     1  True   
529  529  ?          82.3   179.1  Favored   3   4  0.19   5  0.35  molprobity     1  True   
530  530  ?        -159.7  -152.6  Favored   3   4  0.24   5  0.22  molprobity     1  True   
531  531  OUTLIER  -159.4   161.4  Favored  13   9  0.22  11  0.21  molprobity     1  True   
532  532  m         -82.3   150.8  Favored   5   6  0.18   8  0.25  molprobity     1  True   
533  533  tmtt?    -138.1    96.2  Favored  13   9  0.23  11  0.20  molprobity     ?  False  
534  534  m120       52.5    42.2  Favored   6   8  0.21  11  0.34  molprobity     ?  False  
535  535  ?         101.5   -30.4  Favored   3   4  0.23   5  0.23  molprobity     ?  False  
536  536  m-20      -76.5   175.6  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
537  537  t        -130.8    99.7  Favored   5   6  0.17   8  0.23  molprobity     ?  False  
538  538  t         -92.6   134.9  Favored   9   7  0.16  10  0.47  molprobity     ?  False  
539  539  m        -109.0   119.6  Favored   4   6  0.20   8  0.24  molprobity     ?  False  
540  540  mtm180        ?       ?  ?        13  10  0.14  11  0.24  molprobity     ?  False  
541  541  m-85          ?       ?  ?        11  12  0.33  16  0.23  molprobity     ?  False  
542  542  m        -117.1    40.2  Favored   5   6  0.21   8  0.23  molprobity     ?  False  
543  543  t          53.6    87.9  OUTLIER   4   6  0.18   8  0.24  molprobity     ?  False  
544  544  OUTLIER   -56.8   129.5  Favored   4   8  0.16  11  0.23  molprobity     ?  False  
545  545  m170      -75.0   -27.7  Favored   7  11  0.14  15  0.19  molprobity     1  True   
546  546  m         -71.2   -50.9  Favored   5   6  0.21   8  0.23  molprobity     1  True   
547  547  ?         -53.4   -48.7  Favored   5   5  0.16   7  0.25  molprobity     1  True   
548  548  t         -66.8   -46.0  Favored   4   6  0.19   8  0.24  molprobity     1  True   
549  549  ?         -51.5   -48.5  Favored   5   5  0.13   7  0.25  molprobity     1  True   
550  550  t         -69.7   -48.3  Favored   9   7  0.16  10  0.45  molprobity     1  True   
551  551  ttp85     -59.1   -21.9  Favored  13  11  0.17  14  0.26  molprobity     1  True   
552  552  m         -86.7   -50.9  Favored   4   6  0.19   8  0.24  molprobity     1  True   
553  553  OUTLIER   -62.5   -25.8  Favored  11   8  0.18  11  0.25  molprobity     1  True   
554  554  ?         -81.1   -23.5  Favored   5   5  0.15   7  0.24  molprobity     1  True   
555  555  mt-30     -93.6    17.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
556  556  mmt180     63.5    52.5  Favored  13  11  0.16  14  0.26  molprobity     1  True   
557  557  OUTLIER  -132.0    14.7  Favored  13  11  0.16  14  0.25  molprobity     1  True   
558  558  OUTLIER    51.8    30.0  Favored  13   9  0.21  11  0.27  molprobity     1  True   
559  559  ?          82.3   178.3  Favored   3   4  0.21   5  0.36  molprobity     1  True   
560  560  ?        -159.1  -147.7  Favored   3   4  0.22   5  0.22  molprobity     1  True   
561  561  OUTLIER  -156.3   161.4  Favored  13   9  0.23  11  0.20  molprobity     1  True   
562  562  OUTLIER   -98.0   144.5  Favored   4   6  0.20   8  0.24  molprobity     1  True   
563  563  OUTLIER  -136.1    90.7  Favored  13   9  0.22  11  0.21  molprobity     ?  False  
564  564  t-20       52.1    39.6  Favored   6   8  0.20  11  0.34  molprobity     ?  False  
565  565  ?         104.5   -32.0  Favored   3   4  0.23   5  0.23  molprobity     ?  False  
566  566  m-20      -75.5   109.4  Favored   4   8  0.16  11  0.25  molprobity     ?  False  
567  567  t         -81.1   100.8  Favored   4   6  0.19   8  0.25  molprobity     ?  False  
568  568  t         -89.6   144.2  Favored   9   7  0.16  10  0.45  molprobity     ?  False  
569  569  m        -126.6   122.3  Favored   4   6  0.18   8  0.24  molprobity     ?  False  
570  570  OUTLIER       ?       ?  ?        13  10  0.13  11  0.24  molprobity     ?  False  
571  571  OUTLIER       ?       ?  ?        11  12  0.34  16  0.22  molprobity     ?  False  
572  572  m        -164.1   125.0  Favored   5   6  0.21   8  0.23  molprobity     ?  False  
573  573  t         -77.9    84.7  Favored   5   6  0.19   8  0.24  molprobity     ?  False  
574  574  OUTLIER   -77.0   127.1  Favored   4   8  0.16  11  0.24  molprobity     ?  False  
575  575  t60       -54.5   -32.3  Favored   7  11  0.15  15  0.20  molprobity     1  True   
576  576  OUTLIER   -68.0   -55.1  Favored   5   6  0.18   8  0.23  molprobity     1  True   
577  577  ?         -52.0   -44.0  Favored   5   5  0.18   7  0.24  molprobity     1  True   
578  578  m         -68.9   -47.1  Favored   5   6  0.18   8  0.25  molprobity     1  True   
579  579  ?         -51.5   -48.4  Favored   5   5  0.14   7  0.24  molprobity     1  True   
580  580  t         -69.8   -48.2  Favored   9   7  0.15  10  0.45  molprobity     1  True   
581  581  OUTLIER   -59.2   -21.9  Favored  13  11  0.16  14  0.26  molprobity     1  True   
582  582  m         -86.7   -50.9  Favored   4   6  0.21   8  0.24  molprobity     1  True   
583  583  OUTLIER   -62.5   -25.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
584  584  ?         -81.1   -23.6  Favored   5   5  0.15   7  0.24  molprobity     1  True   
585  585  OUTLIER   -93.5    17.5  Favored   8   9  0.22  12  0.25  molprobity     1  True   
586  586  mmt180     63.5    52.6  Favored  13  11  0.15  14  0.26  molprobity     1  True   
587  587  mmm-85   -132.0    14.8  Favored  13  11  0.15  14  0.25  molprobity     1  True   
588  588  ttmt       51.7    30.0  Favored  13   9  0.21  11  0.27  molprobity     1  True   
589  589  ?          82.3   177.3  Favored   3   4  0.21   5  0.36  molprobity     1  True   
590  590  ?        -156.6  -147.5  Favored   3   4  0.25   5  0.22  molprobity     1  True   
591  591  OUTLIER  -159.4   162.9  Favored  13   9  0.23  11  0.20  molprobity     1  True   
592  592  OUTLIER   -96.9   141.3  Favored   5   6  0.18   8  0.24  molprobity     1  True   
593  593  OUTLIER  -133.3    94.5  Favored  13   9  0.22  11  0.20  molprobity     ?  False  
594  594  t-20       52.8    31.4  Favored   6   8  0.20  11  0.34  molprobity     ?  False  
595  595  ?         111.3   -34.6  Favored   3   4  0.22   5  0.22  molprobity     ?  False  
596  596  m-20      -76.1   111.0  Favored   4   8  0.16  11  0.25  molprobity     ?  False  
597  597  m         -80.9    99.3  Favored   5   6  0.20   8  0.23  molprobity     ?  False  
598  598  t         -86.7   143.9  Favored   9   7  0.16  10  0.46  molprobity     ?  False  
599  599  m        -121.5   123.2  Favored   4   6  0.20   8  0.24  molprobity     ?  False  
600  600  OUTLIER       ?       ?  ?        13  10  0.12  11  0.24  molprobity     ?  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   10  HA     1  0.41  1.92  
 2   13  HD23   1  0.41  1.92  
 3   33  CB     2  0.90  2.58  
 4   33  SG     3  0.89  2.60  
 5   38  CB     4  0.74  2.74  
 6   40  HA     5  0.41  1.92  
 7   43  HD23   5  0.41  1.92  
 8   52  SG     2  0.90  2.58  
 9   52  CB     3  0.89  2.60  
10   57  SG     4  0.74  2.74  
11   70  HA     6  0.40  1.92  
12   73  HD23   6  0.40  1.92  
13   93  SG     7  0.63  2.96  
14   93  SG     8  0.40  3.19  
15   98  SG     9  0.85  2.73  
16   98  SG     8  0.40  3.19  
17  100  HA    10  0.41  1.92  
18  103  HD23  10  0.41  1.92  
19  112  SG     9  0.85  2.73  
20  112  SG    11  0.48  3.06  
21  117  SG     7  0.63  2.96  
22  117  SG    11  0.48  3.06  
23  128  CB    12  0.69  2.79  
24  147  SG    12  0.69  2.79  
25  153  SG    13  0.64  2.80  
26  172  CB    13  0.64  2.80  
27  183  SG    14  0.51  2.86  
28  188  CB    15  0.83  2.67  
29  188  SG    16  0.78  2.69  
30  190  HA    17  0.40  1.92  
31  193  HD23  17  0.40  1.92  
32  202  CB    14  0.51  2.86  
33  207  SG    15  0.83  2.67  
34  207  CB    16  0.78  2.69  
35  220  HA    18  0.41  1.92  
36  223  HD23  18  0.41  1.92  
37  243  SG    19  0.77  2.72  
38  250  HA    20  0.40  1.92  
39  253  HD23  20  0.40  1.92  
40  262  CB    19  0.77  2.72  
41  273  CB    21  0.63  2.79  
42  278  CB    22  0.79  2.70  
43  278  SG    23  0.69  2.75  
44  292  SG    21  0.63  2.79  
45  297  SG    22  0.79  2.70  
46  297  CB    23  0.69  2.75  
47  308  CB    24  0.70  2.77  
48  327  SG    24  0.70  2.77  
49  338  CB    25  0.77  2.72  
50  338  SG    26  0.72  2.73  
51  357  SG    25  0.77  2.72  
52  357  CB    26  0.72  2.73  
53  363  SG    27  0.71  2.76  
54  370  HA    28  0.41  1.92  
55  373  HD23  28  0.41  1.92  
56  382  CB    27  0.71  2.76  
57  393  SG    29  0.59  2.78  
58  398  CB    30  0.55  2.83  
59  400  HA    31  0.40  1.92  
60  403  HD23  31  0.40  1.92  
61  412  CB    29  0.59  2.78  
62  417  SG    30  0.55  2.83  
63  423  SG    32  0.48  3.12  
64  430  HA    33  0.40  1.92  
65  433  HD23  33  0.40  1.92  
66  442  SG    34  0.55  3.04  
67  447  SG    34  0.55  3.04  
68  447  SG    32  0.48  3.12  
69  453  CB    35  0.92  2.58  
70  453  SG    36  0.88  2.60  
71  458  SG    37  0.56  2.82  
72  472  SG    35  0.92  2.58  
73  472  CB    36  0.88  2.60  
74  477  CB    37  0.56  2.82  
75  488  CB    38  0.77  2.72  
76  488  SG    39  0.76  2.71  
77  490  HA    40  0.41  1.92  
78  493  HD23  40  0.41  1.92  
79  507  SG    38  0.77  2.72  
80  507  CB    39  0.76  2.71  
81  513  SG    41  0.67  2.78  
82  520  HA    42  0.40  1.92  
83  523  HD23  42  0.40  1.92  
84  532  CB    41  0.67  2.78  
85  550  HA    43  0.41  1.92  
86  553  HD23  43  0.41  1.92  
87  573  SG    44  0.55  3.04  
88  578  SG    45  0.69  2.75  
89  580  HA    46  0.41  1.92  
90  583  HD23  46  0.41  1.92  
91  592  SG    47  0.60  2.99  
92  597  CB    45  0.69  2.75  
93  597  SG    47  0.60  2.99  
94  597  SG    44  0.55  3.04  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  2  True  
 2  1  ?     
 3  2  ?     
 4  2  ?     
 5  3  ?     
 6  3  ?     
 7  1  ?     
 8  3  ?     
 9  2  ?     
10  3  ?     
11  1  ?     
12  1  True  
13  4  ?     
14  1  ?     
15  3  True  
16  1  ?     
17  1  ?     
18  4  True  
19  2  ?     
20  2  ?     
#
_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                0.080
_pdbx_vrpt_cyrange_domain.medoid_model        15
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.114
_pdbx_vrpt_cyrange_domain.residue_string      A:5-A:22
#
_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           191
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           191
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            191
_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  PHE   1  0.374  
 2  A  SER   2  0.325  
 3  A  CYS   3  0.211  
 4  A  ASP   4  0.103  
 5  A  HIS   5  0.037  
 6  A  SER   6  0.042  
 7  A  ALA   7  0.048  
 8  A  CYS   8  0.049  
 9  A  ALA   9  0.036  
10  A  VAL  10  0.032  
11  A  ARG  11  0.052  
12  A  CYS  12  0.109  
13  A  LEU  13  0.188  
14  A  ALA  14  0.188  
15  A  GLN  15  0.137  
16  A  ARG  16  0.063  
17  A  ARG  17  0.062  
18  A  LYS  18  0.126  
19  A  GLY  19  0.151  
20  A  GLY  20  0.134  
21  A  LYS  21  0.066  
22  A  CYS  22  0.030  
23  A  LYS  23  0.029  
24  A  ASN  24  0.030  
25  A  GLY  25  0.036  
26  A  ASP  26  0.042  
27  A  CYS  27  0.056  
28  A  VAL  28  0.066  
29  A  CYS  29  0.075  
30  A  ARG  30  0.074  
#
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    0    2    2  stereomethyl  stereomethyl  
 2  117  122  239  overall       Total         
 3   37   55   92  backbone      Total         
 4   78   62  140  sidechain     Total         
 5    2    5    7  aromatic      Total         
 6  117   15  132  overall       H             
 7   37    1   38  backbone      H             
 8   78   12   90  sidechain     H             
 9    2    2    4  aromatic      H             
10    0   76   76  overall       C             
11    0   36   36  backbone      C             
12    0   38   38  sidechain     C             
13    0    2    2  aromatic      C             
14    0   31   31  overall       N             
15    0   18   18  backbone      N             
16    0   12   12  sidechain     N             
17    0    1    1  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0    3    3  stereomethyl  stereomethyl  
 2  185  196  381  overall       Total         
 3   61   92  153  backbone      Total         
 4  118   93  211  sidechain     Total         
 5    6   11   17  aromatic      Total         
 6  185   21  206  overall       H             
 7   61    2   63  backbone      H             
 8  118   16  134  sidechain     H             
 9    6    3    9  aromatic      H             
10    0  127  127  overall       C             
11    0   60   60  backbone      C             
12    0   60   60  sidechain     C             
13    0    7    7  aromatic      C             
14    0   48   48  overall       N             
15    0   30   30  backbone      N             
16    0   17   17  sidechain     N             
17    0    1    1  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     450  
 2  "Intra-residue (|i-j|=0)"                        99  
 3  "Sequential (|i-j|=1)"                          138  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            103  
 5  "Long range (|i-j|>=5)"                          85  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                 16  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                 0  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             15.0  
12  "Number of long range restraints per residue"   3.3  
#
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                  99   22.0  0  0.0  0.0  0  0.0  0.0  
 2  Intra-residue  BackboneBackbone      2    0.4  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain    88   19.6  0  0.0  0.0  0  0.0  0.0  
 4  Intra-residue  SidechainSidechain    9    2.0  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                 138   30.7  0  0.0  0.0  0  0.0  0.0  
 6  Sequential     BackboneBackbone     52   11.6  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain    69   15.3  0  0.0  0.0  0  0.0  0.0  
 8  Sequential     SidechainSidechain   17    3.8  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                 103   22.9  0  0.0  0.0  0  0.0  0.0  
10  MediumRange    BackboneBackbone     36    8.0  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain    47   10.4  0  0.0  0.0  0  0.0  0.0  
12  MediumRange    SidechainSidechain   20    4.4  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                  85   18.9  0  0.0  0.0  0  0.0  0.0  
14  LongRange      BackboneBackbone     25    5.6  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain    46   10.2  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain   14    3.1  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                  16    3.6  0  0.0  0.0  0  0.0  0.0  
22  DisulfideBond  all                   9    2.0  0  0.0  0.0  0  0.0  0.0  
23  Total          all                 450  100.0  0  0.0  0.0  0  0.0  0.0  
24  Total          BackboneBackbone    115   25.6  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain   250   55.6  0  0.0  0.0  0  0.0  0.0  
26  Total          SidechainSidechain   60   13.3  0  0.0  0.0  0  0.0  0.0  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  0.00  0.00  0.00  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.00  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_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    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_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  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    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_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  coreclust              2.33                                                                  Y  
3  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
