data_2M0E

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2M0E   
BMRB  18806  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2M0E
_pdbx_vrpt_summary.PDB_deposition_date         2012-10-24
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-05:09:56
_pdbx_vrpt_summary.attempted_validation_steps  mogul,molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Zinc finger and BTB domain-containing protein 17"  
2  non-polymer  "ZINC ION"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
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  49.87  158937  ?     ?     
2  2  1  64.05   12864  ?     ?     
3  1  2  19.69  154571  ?     ?     
4  2  2  67.63   11451  ?     ?     
5  1  3  36.39  154315  ?     ?     
6  2  3  84.36   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A  100.00  
 4  6  3  A   1  1  A  100.00  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A   31.11  
 8  6  3  A   2  1  A   31.11  
 9  3  2  A   3  1  A  100.00  
10  4  2  A   3  1  A  100.00  
11  5  3  A   3  1  A  100.00  
12  6  3  A   3  1  A  100.00  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A   11.71  
16  6  3  A   4  1  A   11.71  
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    2.19  
20  6  3  A   5  1  A    2.19  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A  100.00  
24  6  3  A   6  1  A  100.00  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A   31.11  
28  6  3  A   7  1  A   31.11  
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    1.05  
32  6  3  A   8  1  A    1.05  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A   31.11  
36  6  3  A   9  1  A   31.11  
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   31.11  
40  6  3  A  10  1  A   31.11  
41  3  2  A  11  1  A    3.08  
42  4  2  A  11  1  A    3.08  
43  5  3  A  11  1  A   31.11  
44  6  3  A  11  1  A   31.11  
45  3  2  A  12  1  A    3.08  
46  4  2  A  12  1  A    3.08  
47  5  3  A  12  1  A   31.11  
48  6  3  A  12  1  A   31.11  
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   31.11  
52  6  3  A  13  1  A   31.11  
53  3  2  A  14  1  A    3.08  
54  4  2  A  14  1  A    3.08  
55  5  3  A  14  1  A  100.00  
56  6  3  A  14  1  A  100.00  
57  3  2  A  15  1  A  100.00  
58  4  2  A  15  1  A  100.00  
59  5  3  A  15  1  A   31.11  
60  6  3  A  15  1  A   31.11  
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   31.11  
64  6  3  A  16  1  A   31.11  
65  3  2  A  17  1  A    3.08  
66  4  2  A  17  1  A    3.08  
67  5  3  A  17  1  A   31.11  
68  6  3  A  17  1  A   31.11  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A   31.11  
72  6  3  A  18  1  A   31.11  
73  3  2  A  19  1  A    0.82  
74  4  2  A  19  1  A    0.82  
75  5  3  A  19  1  A  100.00  
76  6  3  A  19  1  A  100.00  
77  3  2  A  20  1  A  100.00  
78  4  2  A  20  1  A  100.00  
79  5  3  A  20  1  A  100.00  
80  6  3  A  20  1  A  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.38  0.29  236  313  
 2   2  1  A  A  0.41  0.29  236  313  
 3   3  1  A  A  0.36  0.29  236  313  
 4   4  1  A  A  0.37  0.28  236  313  
 5   5  1  A  A  0.35  0.29  236  313  
 6   6  1  A  A  0.36  0.31  236  313  
 7   7  1  A  A  0.36  0.28  236  313  
 8   8  1  A  A  0.38  0.33  236  313  
 9   9  1  A  A  0.38  0.30  236  313  
10  10  1  A  A  0.38  0.36  236  313  
11  11  1  A  A  0.39  0.29  236  313  
12  12  1  A  A  0.36  0.29  236  313  
13  13  1  A  A  0.36  0.28  236  313  
14  14  1  A  A  0.35  0.30  236  313  
15  15  1  A  A  0.36  0.31  236  313  
16  16  1  A  A  0.37  0.29  236  313  
17  17  1  A  A  0.36  0.36  236  313  
18  18  1  A  A  0.37  0.28  236  313  
19  19  1  A  A  0.37  0.34  236  313  
20  20  1  A  A  0.42  0.31  236  313  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              1.04
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  1.11
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   3.81
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       4.40
_pdbx_vrpt_summary_geometry.clashscore                                 6.02
_pdbx_vrpt_summary_geometry.clashscore_full_length                     5.39
_pdbx_vrpt_summary_geometry.num_H_reduce                               4640
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             4720
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.30
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            6260
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.37
#
_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            18
_pdbx_vrpt_summary_nmr.medoid_model                             18
_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              2
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              75.60
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  67.16
#
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  30  LYS  A   30  .  ?        ?  
  2   1  1  A  31  GLU  A   31  .  ?        ?  
  3   1  1  A  32  HIS  A   32  .  ?        ?  
  4   1  1  A  33  LYS  A   33  .  ?        ?  
  5   1  1  A  34  CYS  A   34  .  ?        ?  
  6   1  1  A  35  PRO  A   35  .  ?        ?  
  7   1  1  A  36  HIS  A   36  .  ?        ?  
  8   1  1  A  37  CYS  A   37  .  ?        ?  
  9   1  1  A  38  ASP  A   38  .  ?        ?  
 10   1  1  A  39  LYS  A   39  .  ?        ?  
 11   1  1  A  40  LYS  A   40  .  ?        ?  
 12   1  1  A  41  PHE  A   41  .  ?        ?  
 13   1  1  A  42  ASN  A   42  .  ?        ?  
 14   1  1  A  43  GLN  A   43  .  ?        ?  
 15   1  1  A  44  VAL  A   44  .  ?        ?  
 16   1  1  A  45  GLY  A   45  .  ?        1  
 17   1  1  A  46  ASN  A   46  .  ?        ?  
 18   1  1  A  47  LEU  A   47  .  ?        ?  
 19   1  1  A  48  LYS  A   48  .  ?        1  
 20   1  1  A  49  ALA  A   49  .  ?        ?  
 21   1  1  A  50  HIS  A   50  .  ?        ?  
 22   1  1  A  51  LEU  A   51  .  ?        ?  
 23   1  1  A  52  LYS  A   52  .  ?        ?  
 24   1  1  A  53  ILE  A   53  .  ?        1  
 25   1  1  A  54  HIS  A   54  .  ?        ?  
 26   1  1  A  55  ILE  A   55  .  ?        ?  
 27   1  1  A  56  ALA  A   56  .  ?        1  
 28   1  1  A  57  ASP  A   57  .  ?        ?  
 29   1  1  A  58  GLY  A   58  .  ?        ?  
 30   1  2  B   .  ZN   A  201  .  ?        ?  
 31   2  1  A  30  LYS  A   30  .  ?        ?  
 32   2  1  A  31  GLU  A   31  .  ?        ?  
 33   2  1  A  32  HIS  A   32  .  ?        1  
 34   2  1  A  33  LYS  A   33  .  ?        1  
 35   2  1  A  34  CYS  A   34  .  ?        3  
 36   2  1  A  35  PRO  A   35  .  ?        ?  
 37   2  1  A  36  HIS  A   36  .  ?        ?  
 38   2  1  A  37  CYS  A   37  .  ?        2  
 39   2  1  A  38  ASP  A   38  .  ?        ?  
 40   2  1  A  39  LYS  A   39  .  ?        ?  
 41   2  1  A  40  LYS  A   40  .  ?        2  
 42   2  1  A  41  PHE  A   41  .  ?        1  
 43   2  1  A  42  ASN  A   42  .  ?        ?  
 44   2  1  A  43  GLN  A   43  .  ?        ?  
 45   2  1  A  44  VAL  A   44  .  ?        ?  
 46   2  1  A  45  GLY  A   45  .  ?        ?  
 47   2  1  A  46  ASN  A   46  .  ?        ?  
 48   2  1  A  47  LEU  A   47  .  ?        3  
 49   2  1  A  48  LYS  A   48  .  ?        ?  
 50   2  1  A  49  ALA  A   49  .  ?        ?  
 51   2  1  A  50  HIS  A   50  .  ?        ?  
 52   2  1  A  51  LEU  A   51  .  ?        1  
 53   2  1  A  52  LYS  A   52  .  ?        ?  
 54   2  1  A  53  ILE  A   53  .  ?        ?  
 55   2  1  A  54  HIS  A   54  .  ?        ?  
 56   2  1  A  55  ILE  A   55  .  ?        ?  
 57   2  1  A  56  ALA  A   56  .  ?        ?  
 58   2  1  A  57  ASP  A   57  .  ?        ?  
 59   2  1  A  58  GLY  A   58  .  ?        ?  
 60   2  2  B   .  ZN   A  201  .  ?        ?  
 61   3  1  A  30  LYS  A   30  .  ?        ?  
 62   3  1  A  31  GLU  A   31  .  ?        ?  
 63   3  1  A  32  HIS  A   32  .  ?        ?  
 64   3  1  A  33  LYS  A   33  .  ?        ?  
 65   3  1  A  34  CYS  A   34  .  ?        ?  
 66   3  1  A  35  PRO  A   35  .  ?        ?  
 67   3  1  A  36  HIS  A   36  .  ?        ?  
 68   3  1  A  37  CYS  A   37  .  ?        ?  
 69   3  1  A  38  ASP  A   38  .  ?        ?  
 70   3  1  A  39  LYS  A   39  .  ?        ?  
 71   3  1  A  40  LYS  A   40  .  ?        ?  
 72   3  1  A  41  PHE  A   41  .  ?        ?  
 73   3  1  A  42  ASN  A   42  .  ?        ?  
 74   3  1  A  43  GLN  A   43  .  ?        ?  
 75   3  1  A  44  VAL  A   44  .  ?        ?  
 76   3  1  A  45  GLY  A   45  .  ?        ?  
 77   3  1  A  46  ASN  A   46  .  ?        ?  
 78   3  1  A  47  LEU  A   47  .  ?        ?  
 79   3  1  A  48  LYS  A   48  .  ?        ?  
 80   3  1  A  49  ALA  A   49  .  ?        ?  
 81   3  1  A  50  HIS  A   50  .  ?        ?  
 82   3  1  A  51  LEU  A   51  .  ?        ?  
 83   3  1  A  52  LYS  A   52  .  ?        ?  
 84   3  1  A  53  ILE  A   53  .  ?        ?  
 85   3  1  A  54  HIS  A   54  .  ?        ?  
 86   3  1  A  55  ILE  A   55  .  ?        ?  
 87   3  1  A  56  ALA  A   56  .  ?        ?  
 88   3  1  A  57  ASP  A   57  .  ?        ?  
 89   3  1  A  58  GLY  A   58  .  ?        ?  
 90   3  2  B   .  ZN   A  201  .  ?        ?  
 91   4  1  A  30  LYS  A   30  .  ?        ?  
 92   4  1  A  31  GLU  A   31  .  ?        ?  
 93   4  1  A  32  HIS  A   32  .  ?        ?  
 94   4  1  A  33  LYS  A   33  .  ?        1  
 95   4  1  A  34  CYS  A   34  .  ?        1  
 96   4  1  A  35  PRO  A   35  .  ?        ?  
 97   4  1  A  36  HIS  A   36  .  ?        ?  
 98   4  1  A  37  CYS  A   37  .  ?        ?  
 99   4  1  A  38  ASP  A   38  .  ?        ?  
100   4  1  A  39  LYS  A   39  .  ?        ?  
101   4  1  A  40  LYS  A   40  .  ?        ?  
102   4  1  A  41  PHE  A   41  .  ?        1  
103   4  1  A  42  ASN  A   42  .  ?        ?  
104   4  1  A  43  GLN  A   43  .  ?        ?  
105   4  1  A  44  VAL  A   44  .  ?        ?  
106   4  1  A  45  GLY  A   45  .  ?        ?  
107   4  1  A  46  ASN  A   46  .  ?        2  
108   4  1  A  47  LEU  A   47  .  ?        ?  
109   4  1  A  48  LYS  A   48  .  ?        ?  
110   4  1  A  49  ALA  A   49  .  ?        ?  
111   4  1  A  50  HIS  A   50  .  ?        1  
112   4  1  A  51  LEU  A   51  .  ?        ?  
113   4  1  A  52  LYS  A   52  .  ?        ?  
114   4  1  A  53  ILE  A   53  .  ?        ?  
115   4  1  A  54  HIS  A   54  .  ?        ?  
116   4  1  A  55  ILE  A   55  .  ?        ?  
117   4  1  A  56  ALA  A   56  .  ?        ?  
118   4  1  A  57  ASP  A   57  .  ?        ?  
119   4  1  A  58  GLY  A   58  .  ?        ?  
120   4  2  B   .  ZN   A  201  .  ?        ?  
121   5  1  A  30  LYS  A   30  .  ?        ?  
122   5  1  A  31  GLU  A   31  .  ?        ?  
123   5  1  A  32  HIS  A   32  .  ?        ?  
124   5  1  A  33  LYS  A   33  .  ?        ?  
125   5  1  A  34  CYS  A   34  .  ?        ?  
126   5  1  A  35  PRO  A   35  .  ?        ?  
127   5  1  A  36  HIS  A   36  .  ?        ?  
128   5  1  A  37  CYS  A   37  .  ?        ?  
129   5  1  A  38  ASP  A   38  .  ?        ?  
130   5  1  A  39  LYS  A   39  .  ?        1  
131   5  1  A  40  LYS  A   40  .  ?        ?  
132   5  1  A  41  PHE  A   41  .  ?        2  
133   5  1  A  42  ASN  A   42  .  ?        ?  
134   5  1  A  43  GLN  A   43  .  ?        ?  
135   5  1  A  44  VAL  A   44  .  ?        1  
136   5  1  A  45  GLY  A   45  .  ?        2  
137   5  1  A  46  ASN  A   46  .  ?        1  
138   5  1  A  47  LEU  A   47  .  ?        ?  
139   5  1  A  48  LYS  A   48  .  ?        1  
140   5  1  A  49  ALA  A   49  .  ?        ?  
141   5  1  A  50  HIS  A   50  .  ?        ?  
142   5  1  A  51  LEU  A   51  .  ?        ?  
143   5  1  A  52  LYS  A   52  .  ?        ?  
144   5  1  A  53  ILE  A   53  .  ?        ?  
145   5  1  A  54  HIS  A   54  .  ?        ?  
146   5  1  A  55  ILE  A   55  .  ?        ?  
147   5  1  A  56  ALA  A   56  .  ?        ?  
148   5  1  A  57  ASP  A   57  .  ?        ?  
149   5  1  A  58  GLY  A   58  .  ?        ?  
150   5  2  B   .  ZN   A  201  .  ?        ?  
151   6  1  A  30  LYS  A   30  .  ?        ?  
152   6  1  A  31  GLU  A   31  .  ?        ?  
153   6  1  A  32  HIS  A   32  .  ?        ?  
154   6  1  A  33  LYS  A   33  .  ?        ?  
155   6  1  A  34  CYS  A   34  .  ?        ?  
156   6  1  A  35  PRO  A   35  .  ?        ?  
157   6  1  A  36  HIS  A   36  .  ?        ?  
158   6  1  A  37  CYS  A   37  .  ?        ?  
159   6  1  A  38  ASP  A   38  .  ?        ?  
160   6  1  A  39  LYS  A   39  .  ?        ?  
161   6  1  A  40  LYS  A   40  .  ?        ?  
162   6  1  A  41  PHE  A   41  .  ?        ?  
163   6  1  A  42  ASN  A   42  .  ?        ?  
164   6  1  A  43  GLN  A   43  .  ?        1  
165   6  1  A  44  VAL  A   44  .  ?        ?  
166   6  1  A  45  GLY  A   45  .  ?        ?  
167   6  1  A  46  ASN  A   46  .  ?        ?  
168   6  1  A  47  LEU  A   47  .  ?        1  
169   6  1  A  48  LYS  A   48  .  ?        ?  
170   6  1  A  49  ALA  A   49  .  ?        ?  
171   6  1  A  50  HIS  A   50  .  ?        ?  
172   6  1  A  51  LEU  A   51  .  ?        ?  
173   6  1  A  52  LYS  A   52  .  ?        ?  
174   6  1  A  53  ILE  A   53  .  ?        ?  
175   6  1  A  54  HIS  A   54  .  ?        ?  
176   6  1  A  55  ILE  A   55  .  ?        ?  
177   6  1  A  56  ALA  A   56  .  ?        ?  
178   6  1  A  57  ASP  A   57  .  ?        ?  
179   6  1  A  58  GLY  A   58  .  ?        ?  
180   6  2  B   .  ZN   A  201  .  ?        ?  
181   7  1  A  30  LYS  A   30  .  ?        ?  
182   7  1  A  31  GLU  A   31  .  ?        ?  
183   7  1  A  32  HIS  A   32  .  ?        ?  
184   7  1  A  33  LYS  A   33  .  ?        ?  
185   7  1  A  34  CYS  A   34  .  ?        ?  
186   7  1  A  35  PRO  A   35  .  ?        ?  
187   7  1  A  36  HIS  A   36  .  ?        ?  
188   7  1  A  37  CYS  A   37  .  ?        ?  
189   7  1  A  38  ASP  A   38  .  ?        ?  
190   7  1  A  39  LYS  A   39  .  ?        ?  
191   7  1  A  40  LYS  A   40  .  ?        ?  
192   7  1  A  41  PHE  A   41  .  ?        ?  
193   7  1  A  42  ASN  A   42  .  ?        ?  
194   7  1  A  43  GLN  A   43  .  ?        1  
195   7  1  A  44  VAL  A   44  .  ?        ?  
196   7  1  A  45  GLY  A   45  .  ?        ?  
197   7  1  A  46  ASN  A   46  .  ?        ?  
198   7  1  A  47  LEU  A   47  .  ?        1  
199   7  1  A  48  LYS  A   48  .  ?        ?  
200   7  1  A  49  ALA  A   49  .  ?        ?  
201   7  1  A  50  HIS  A   50  .  ?        ?  
202   7  1  A  51  LEU  A   51  .  ?        ?  
203   7  1  A  52  LYS  A   52  .  ?        ?  
204   7  1  A  53  ILE  A   53  .  ?        ?  
205   7  1  A  54  HIS  A   54  .  ?        ?  
206   7  1  A  55  ILE  A   55  .  ?        ?  
207   7  1  A  56  ALA  A   56  .  ?        ?  
208   7  1  A  57  ASP  A   57  .  ?        ?  
209   7  1  A  58  GLY  A   58  .  ?        ?  
210   7  2  B   .  ZN   A  201  .  ?        ?  
211   8  1  A  30  LYS  A   30  .  ?        ?  
212   8  1  A  31  GLU  A   31  .  ?        ?  
213   8  1  A  32  HIS  A   32  .  ?        ?  
214   8  1  A  33  LYS  A   33  .  ?        ?  
215   8  1  A  34  CYS  A   34  .  ?        ?  
216   8  1  A  35  PRO  A   35  .  ?        ?  
217   8  1  A  36  HIS  A   36  .  ?        ?  
218   8  1  A  37  CYS  A   37  .  ?        1  
219   8  1  A  38  ASP  A   38  .  ?        ?  
220   8  1  A  39  LYS  A   39  .  ?        1  
221   8  1  A  40  LYS  A   40  .  ?        ?  
222   8  1  A  41  PHE  A   41  .  ?        ?  
223   8  1  A  42  ASN  A   42  .  ?        ?  
224   8  1  A  43  GLN  A   43  .  ?        ?  
225   8  1  A  44  VAL  A   44  .  ?        ?  
226   8  1  A  45  GLY  A   45  .  ?        ?  
227   8  1  A  46  ASN  A   46  .  ?        1  
228   8  1  A  47  LEU  A   47  .  ?        ?  
229   8  1  A  48  LYS  A   48  .  ?        ?  
230   8  1  A  49  ALA  A   49  .  ?        ?  
231   8  1  A  50  HIS  A   50  .  ?        1  
232   8  1  A  51  LEU  A   51  .  ?        ?  
233   8  1  A  52  LYS  A   52  .  ?        ?  
234   8  1  A  53  ILE  A   53  .  ?        ?  
235   8  1  A  54  HIS  A   54  .  ?        ?  
236   8  1  A  55  ILE  A   55  .  ?        ?  
237   8  1  A  56  ALA  A   56  .  ?        ?  
238   8  1  A  57  ASP  A   57  .  ?        ?  
239   8  1  A  58  GLY  A   58  .  ?        ?  
240   8  2  B   .  ZN   A  201  .  ?        ?  
241   9  1  A  30  LYS  A   30  .  ?        ?  
242   9  1  A  31  GLU  A   31  .  ?        ?  
243   9  1  A  32  HIS  A   32  .  ?        ?  
244   9  1  A  33  LYS  A   33  .  ?        ?  
245   9  1  A  34  CYS  A   34  .  ?        ?  
246   9  1  A  35  PRO  A   35  .  ?        ?  
247   9  1  A  36  HIS  A   36  .  ?        ?  
248   9  1  A  37  CYS  A   37  .  ?        ?  
249   9  1  A  38  ASP  A   38  .  ?        ?  
250   9  1  A  39  LYS  A   39  .  ?        ?  
251   9  1  A  40  LYS  A   40  .  ?        ?  
252   9  1  A  41  PHE  A   41  .  ?        1  
253   9  1  A  42  ASN  A   42  .  ?        ?  
254   9  1  A  43  GLN  A   43  .  ?        ?  
255   9  1  A  44  VAL  A   44  .  ?        ?  
256   9  1  A  45  GLY  A   45  .  ?        ?  
257   9  1  A  46  ASN  A   46  .  ?        2  
258   9  1  A  47  LEU  A   47  .  ?        ?  
259   9  1  A  48  LYS  A   48  .  ?        ?  
260   9  1  A  49  ALA  A   49  .  ?        ?  
261   9  1  A  50  HIS  A   50  .  ?        1  
262   9  1  A  51  LEU  A   51  .  ?        ?  
263   9  1  A  52  LYS  A   52  .  ?        ?  
264   9  1  A  53  ILE  A   53  .  ?        ?  
265   9  1  A  54  HIS  A   54  .  ?        ?  
266   9  1  A  55  ILE  A   55  .  ?        ?  
267   9  1  A  56  ALA  A   56  .  ?        ?  
268   9  1  A  57  ASP  A   57  .  ?        ?  
269   9  1  A  58  GLY  A   58  .  ?        ?  
270   9  2  B   .  ZN   A  201  .  ?        ?  
271  10  1  A  30  LYS  A   30  .  ?        ?  
272  10  1  A  31  GLU  A   31  .  ?        ?  
273  10  1  A  32  HIS  A   32  .  ?        ?  
274  10  1  A  33  LYS  A   33  .  ?        ?  
275  10  1  A  34  CYS  A   34  .  ?        1  
276  10  1  A  35  PRO  A   35  .  ?        ?  
277  10  1  A  36  HIS  A   36  .  ?        ?  
278  10  1  A  37  CYS  A   37  .  ?        1  
279  10  1  A  38  ASP  A   38  .  ?        ?  
280  10  1  A  39  LYS  A   39  .  ?        ?  
281  10  1  A  40  LYS  A   40  .  ?        ?  
282  10  1  A  41  PHE  A   41  .  ?        ?  
283  10  1  A  42  ASN  A   42  .  ?        ?  
284  10  1  A  43  GLN  A   43  .  ?        ?  
285  10  1  A  44  VAL  A   44  .  ?        ?  
286  10  1  A  45  GLY  A   45  .  ?        ?  
287  10  1  A  46  ASN  A   46  .  ?        ?  
288  10  1  A  47  LEU  A   47  .  ?        ?  
289  10  1  A  48  LYS  A   48  .  ?        ?  
290  10  1  A  49  ALA  A   49  .  ?        ?  
291  10  1  A  50  HIS  A   50  .  ?        ?  
292  10  1  A  51  LEU  A   51  .  ?        ?  
293  10  1  A  52  LYS  A   52  .  ?        ?  
294  10  1  A  53  ILE  A   53  .  ?        ?  
295  10  1  A  54  HIS  A   54  .  ?        ?  
296  10  1  A  55  ILE  A   55  .  ?        ?  
297  10  1  A  56  ALA  A   56  .  ?        ?  
298  10  1  A  57  ASP  A   57  .  ?        ?  
299  10  1  A  58  GLY  A   58  .  ?        ?  
300  10  2  B   .  ZN   A  201  .  ?        ?  
301  11  1  A  30  LYS  A   30  .  ?        ?  
302  11  1  A  31  GLU  A   31  .  ?        ?  
303  11  1  A  32  HIS  A   32  .  ?        ?  
304  11  1  A  33  LYS  A   33  .  ?        1  
305  11  1  A  34  CYS  A   34  .  ?        1  
306  11  1  A  35  PRO  A   35  .  ?        1  
307  11  1  A  36  HIS  A   36  .  ?        ?  
308  11  1  A  37  CYS  A   37  .  ?        1  
309  11  1  A  38  ASP  A   38  .  ?        ?  
310  11  1  A  39  LYS  A   39  .  ?        ?  
311  11  1  A  40  LYS  A   40  .  ?        ?  
312  11  1  A  41  PHE  A   41  .  ?        1  
313  11  1  A  42  ASN  A   42  .  ?        ?  
314  11  1  A  43  GLN  A   43  .  ?        ?  
315  11  1  A  44  VAL  A   44  .  ?        1  
316  11  1  A  45  GLY  A   45  .  ?        ?  
317  11  1  A  46  ASN  A   46  .  ?        1  
318  11  1  A  47  LEU  A   47  .  ?        ?  
319  11  1  A  48  LYS  A   48  .  ?        1  
320  11  1  A  49  ALA  A   49  .  ?        ?  
321  11  1  A  50  HIS  A   50  .  ?        ?  
322  11  1  A  51  LEU  A   51  .  ?        1  
323  11  1  A  52  LYS  A   52  .  ?        ?  
324  11  1  A  53  ILE  A   53  .  ?        ?  
325  11  1  A  54  HIS  A   54  .  ?        1  
326  11  1  A  55  ILE  A   55  .  ?        ?  
327  11  1  A  56  ALA  A   56  .  ?        ?  
328  11  1  A  57  ASP  A   57  .  ?        ?  
329  11  1  A  58  GLY  A   58  .  ?        ?  
330  11  2  B   .  ZN   A  201  .  ?        ?  
331  12  1  A  30  LYS  A   30  .  ?        ?  
332  12  1  A  31  GLU  A   31  .  ?        ?  
333  12  1  A  32  HIS  A   32  .  ?        ?  
334  12  1  A  33  LYS  A   33  .  ?        ?  
335  12  1  A  34  CYS  A   34  .  ?        1  
336  12  1  A  35  PRO  A   35  .  ?        1  
337  12  1  A  36  HIS  A   36  .  ?        ?  
338  12  1  A  37  CYS  A   37  .  ?        ?  
339  12  1  A  38  ASP  A   38  .  ?        ?  
340  12  1  A  39  LYS  A   39  .  ?        ?  
341  12  1  A  40  LYS  A   40  .  ?        ?  
342  12  1  A  41  PHE  A   41  .  ?        3  
343  12  1  A  42  ASN  A   42  .  ?        ?  
344  12  1  A  43  GLN  A   43  .  ?        2  
345  12  1  A  44  VAL  A   44  .  ?        ?  
346  12  1  A  45  GLY  A   45  .  ?        ?  
347  12  1  A  46  ASN  A   46  .  ?        2  
348  12  1  A  47  LEU  A   47  .  ?        2  
349  12  1  A  48  LYS  A   48  .  ?        ?  
350  12  1  A  49  ALA  A   49  .  ?        ?  
351  12  1  A  50  HIS  A   50  .  ?        1  
352  12  1  A  51  LEU  A   51  .  ?        ?  
353  12  1  A  52  LYS  A   52  .  ?        ?  
354  12  1  A  53  ILE  A   53  .  ?        ?  
355  12  1  A  54  HIS  A   54  .  ?        ?  
356  12  1  A  55  ILE  A   55  .  ?        ?  
357  12  1  A  56  ALA  A   56  .  ?        ?  
358  12  1  A  57  ASP  A   57  .  ?        ?  
359  12  1  A  58  GLY  A   58  .  ?        ?  
360  12  2  B   .  ZN   A  201  .  ?        ?  
361  13  1  A  30  LYS  A   30  .  ?        ?  
362  13  1  A  31  GLU  A   31  .  ?        ?  
363  13  1  A  32  HIS  A   32  .  ?        ?  
364  13  1  A  33  LYS  A   33  .  ?        ?  
365  13  1  A  34  CYS  A   34  .  ?        1  
366  13  1  A  35  PRO  A   35  .  ?        ?  
367  13  1  A  36  HIS  A   36  .  ?        ?  
368  13  1  A  37  CYS  A   37  .  ?        1  
369  13  1  A  38  ASP  A   38  .  ?        ?  
370  13  1  A  39  LYS  A   39  .  ?        ?  
371  13  1  A  40  LYS  A   40  .  ?        ?  
372  13  1  A  41  PHE  A   41  .  ?        ?  
373  13  1  A  42  ASN  A   42  .  ?        ?  
374  13  1  A  43  GLN  A   43  .  ?        2  
375  13  1  A  44  VAL  A   44  .  ?        1  
376  13  1  A  45  GLY  A   45  .  ?        ?  
377  13  1  A  46  ASN  A   46  .  ?        ?  
378  13  1  A  47  LEU  A   47  .  ?        3  
379  13  1  A  48  LYS  A   48  .  ?        1  
380  13  1  A  49  ALA  A   49  .  ?        ?  
381  13  1  A  50  HIS  A   50  .  ?        ?  
382  13  1  A  51  LEU  A   51  .  ?        1  
383  13  1  A  52  LYS  A   52  .  ?        ?  
384  13  1  A  53  ILE  A   53  .  ?        ?  
385  13  1  A  54  HIS  A   54  .  ?        ?  
386  13  1  A  55  ILE  A   55  .  ?        ?  
387  13  1  A  56  ALA  A   56  .  ?        ?  
388  13  1  A  57  ASP  A   57  .  ?        ?  
389  13  1  A  58  GLY  A   58  .  ?        ?  
390  13  2  B   .  ZN   A  201  .  ?        ?  
391  14  1  A  30  LYS  A   30  .  ?        ?  
392  14  1  A  31  GLU  A   31  .  ?        ?  
393  14  1  A  32  HIS  A   32  .  ?        ?  
394  14  1  A  33  LYS  A   33  .  ?        ?  
395  14  1  A  34  CYS  A   34  .  ?        1  
396  14  1  A  35  PRO  A   35  .  ?        ?  
397  14  1  A  36  HIS  A   36  .  ?        ?  
398  14  1  A  37  CYS  A   37  .  ?        1  
399  14  1  A  38  ASP  A   38  .  ?        ?  
400  14  1  A  39  LYS  A   39  .  ?        ?  
401  14  1  A  40  LYS  A   40  .  ?        ?  
402  14  1  A  41  PHE  A   41  .  ?        ?  
403  14  1  A  42  ASN  A   42  .  ?        ?  
404  14  1  A  43  GLN  A   43  .  ?        ?  
405  14  1  A  44  VAL  A   44  .  ?        ?  
406  14  1  A  45  GLY  A   45  .  ?        ?  
407  14  1  A  46  ASN  A   46  .  ?        ?  
408  14  1  A  47  LEU  A   47  .  ?        ?  
409  14  1  A  48  LYS  A   48  .  ?        ?  
410  14  1  A  49  ALA  A   49  .  ?        ?  
411  14  1  A  50  HIS  A   50  .  ?        ?  
412  14  1  A  51  LEU  A   51  .  ?        ?  
413  14  1  A  52  LYS  A   52  .  ?        ?  
414  14  1  A  53  ILE  A   53  .  ?        ?  
415  14  1  A  54  HIS  A   54  .  ?        ?  
416  14  1  A  55  ILE  A   55  .  ?        ?  
417  14  1  A  56  ALA  A   56  .  ?        ?  
418  14  1  A  57  ASP  A   57  .  ?        ?  
419  14  1  A  58  GLY  A   58  .  ?        ?  
420  14  2  B   .  ZN   A  201  .  ?        ?  
421  15  1  A  30  LYS  A   30  .  ?        ?  
422  15  1  A  31  GLU  A   31  .  ?        ?  
423  15  1  A  32  HIS  A   32  .  ?        ?  
424  15  1  A  33  LYS  A   33  .  ?        ?  
425  15  1  A  34  CYS  A   34  .  ?        ?  
426  15  1  A  35  PRO  A   35  .  ?        ?  
427  15  1  A  36  HIS  A   36  .  ?        ?  
428  15  1  A  37  CYS  A   37  .  ?        1  
429  15  1  A  38  ASP  A   38  .  ?        ?  
430  15  1  A  39  LYS  A   39  .  ?        ?  
431  15  1  A  40  LYS  A   40  .  ?        ?  
432  15  1  A  41  PHE  A   41  .  ?        1  
433  15  1  A  42  ASN  A   42  .  ?        ?  
434  15  1  A  43  GLN  A   43  .  ?        ?  
435  15  1  A  44  VAL  A   44  .  ?        ?  
436  15  1  A  45  GLY  A   45  .  ?        ?  
437  15  1  A  46  ASN  A   46  .  ?        1  
438  15  1  A  47  LEU  A   47  .  ?        ?  
439  15  1  A  48  LYS  A   48  .  ?        ?  
440  15  1  A  49  ALA  A   49  .  ?        ?  
441  15  1  A  50  HIS  A   50  .  ?        1  
442  15  1  A  51  LEU  A   51  .  ?        ?  
443  15  1  A  52  LYS  A   52  .  ?        ?  
444  15  1  A  53  ILE  A   53  .  ?        ?  
445  15  1  A  54  HIS  A   54  .  ?        ?  
446  15  1  A  55  ILE  A   55  .  ?        ?  
447  15  1  A  56  ALA  A   56  .  ?        ?  
448  15  1  A  57  ASP  A   57  .  ?        ?  
449  15  1  A  58  GLY  A   58  .  ?        ?  
450  15  2  B   .  ZN   A  201  .  ?        ?  
451  16  1  A  30  LYS  A   30  .  ?        ?  
452  16  1  A  31  GLU  A   31  .  ?        ?  
453  16  1  A  32  HIS  A   32  .  ?        ?  
454  16  1  A  33  LYS  A   33  .  ?        ?  
455  16  1  A  34  CYS  A   34  .  ?        ?  
456  16  1  A  35  PRO  A   35  .  ?        ?  
457  16  1  A  36  HIS  A   36  .  ?        ?  
458  16  1  A  37  CYS  A   37  .  ?        ?  
459  16  1  A  38  ASP  A   38  .  ?        ?  
460  16  1  A  39  LYS  A   39  .  ?        ?  
461  16  1  A  40  LYS  A   40  .  ?        ?  
462  16  1  A  41  PHE  A   41  .  ?        ?  
463  16  1  A  42  ASN  A   42  .  ?        ?  
464  16  1  A  43  GLN  A   43  .  ?        ?  
465  16  1  A  44  VAL  A   44  .  ?        ?  
466  16  1  A  45  GLY  A   45  .  ?        ?  
467  16  1  A  46  ASN  A   46  .  ?        ?  
468  16  1  A  47  LEU  A   47  .  ?        ?  
469  16  1  A  48  LYS  A   48  .  ?        ?  
470  16  1  A  49  ALA  A   49  .  ?        ?  
471  16  1  A  50  HIS  A   50  .  ?        ?  
472  16  1  A  51  LEU  A   51  .  ?        ?  
473  16  1  A  52  LYS  A   52  .  ?        ?  
474  16  1  A  53  ILE  A   53  .  ?        ?  
475  16  1  A  54  HIS  A   54  .  ?        ?  
476  16  1  A  55  ILE  A   55  .  ?        ?  
477  16  1  A  56  ALA  A   56  .  ?        ?  
478  16  1  A  57  ASP  A   57  .  ?        ?  
479  16  1  A  58  GLY  A   58  .  ?        ?  
480  16  2  B   .  ZN   A  201  .  ?        ?  
481  17  1  A  30  LYS  A   30  .  ?        ?  
482  17  1  A  31  GLU  A   31  .  ?        ?  
483  17  1  A  32  HIS  A   32  .  ?        ?  
484  17  1  A  33  LYS  A   33  .  ?        ?  
485  17  1  A  34  CYS  A   34  .  ?        ?  
486  17  1  A  35  PRO  A   35  .  ?        ?  
487  17  1  A  36  HIS  A   36  .  ?        ?  
488  17  1  A  37  CYS  A   37  .  ?        ?  
489  17  1  A  38  ASP  A   38  .  ?        ?  
490  17  1  A  39  LYS  A   39  .  ?        ?  
491  17  1  A  40  LYS  A   40  .  ?        ?  
492  17  1  A  41  PHE  A   41  .  ?        ?  
493  17  1  A  42  ASN  A   42  .  ?        ?  
494  17  1  A  43  GLN  A   43  .  ?        1  
495  17  1  A  44  VAL  A   44  .  ?        ?  
496  17  1  A  45  GLY  A   45  .  ?        1  
497  17  1  A  46  ASN  A   46  .  ?        ?  
498  17  1  A  47  LEU  A   47  .  ?        2  
499  17  1  A  48  LYS  A   48  .  ?        1  
500  17  1  A  49  ALA  A   49  .  ?        ?  
501  17  1  A  50  HIS  A   50  .  ?        1  
502  17  1  A  51  LEU  A   51  .  ?        1  
503  17  1  A  52  LYS  A   52  .  ?        ?  
504  17  1  A  53  ILE  A   53  .  ?        1  
505  17  1  A  54  HIS  A   54  .  ?        ?  
506  17  1  A  55  ILE  A   55  .  ?        ?  
507  17  1  A  56  ALA  A   56  .  ?        ?  
508  17  1  A  57  ASP  A   57  .  ?        ?  
509  17  1  A  58  GLY  A   58  .  ?        ?  
510  17  2  B   .  ZN   A  201  .  ?        ?  
511  18  1  A  30  LYS  A   30  .  ?        ?  
512  18  1  A  31  GLU  A   31  .  ?        ?  
513  18  1  A  32  HIS  A   32  .  ?        ?  
514  18  1  A  33  LYS  A   33  .  ?        ?  
515  18  1  A  34  CYS  A   34  .  ?        ?  
516  18  1  A  35  PRO  A   35  .  ?        ?  
517  18  1  A  36  HIS  A   36  .  ?        ?  
518  18  1  A  37  CYS  A   37  .  ?        ?  
519  18  1  A  38  ASP  A   38  .  ?        ?  
520  18  1  A  39  LYS  A   39  .  ?        1  
521  18  1  A  40  LYS  A   40  .  ?        ?  
522  18  1  A  41  PHE  A   41  .  ?        1  
523  18  1  A  42  ASN  A   42  .  ?        ?  
524  18  1  A  43  GLN  A   43  .  ?        1  
525  18  1  A  44  VAL  A   44  .  ?        ?  
526  18  1  A  45  GLY  A   45  .  ?        ?  
527  18  1  A  46  ASN  A   46  .  ?        ?  
528  18  1  A  47  LEU  A   47  .  ?        1  
529  18  1  A  48  LYS  A   48  .  ?        ?  
530  18  1  A  49  ALA  A   49  .  ?        ?  
531  18  1  A  50  HIS  A   50  .  ?        ?  
532  18  1  A  51  LEU  A   51  .  ?        ?  
533  18  1  A  52  LYS  A   52  .  ?        ?  
534  18  1  A  53  ILE  A   53  .  ?        ?  
535  18  1  A  54  HIS  A   54  .  ?        ?  
536  18  1  A  55  ILE  A   55  .  ?        ?  
537  18  1  A  56  ALA  A   56  .  ?        ?  
538  18  1  A  57  ASP  A   57  .  ?        ?  
539  18  1  A  58  GLY  A   58  .  ?        ?  
540  18  2  B   .  ZN   A  201  .  ?        ?  
541  19  1  A  30  LYS  A   30  .  ?        ?  
542  19  1  A  31  GLU  A   31  .  ?        ?  
543  19  1  A  32  HIS  A   32  .  ?        ?  
544  19  1  A  33  LYS  A   33  .  ?        ?  
545  19  1  A  34  CYS  A   34  .  ?        1  
546  19  1  A  35  PRO  A   35  .  ?        1  
547  19  1  A  36  HIS  A   36  .  ?        ?  
548  19  1  A  37  CYS  A   37  .  ?        ?  
549  19  1  A  38  ASP  A   38  .  ?        ?  
550  19  1  A  39  LYS  A   39  .  ?        ?  
551  19  1  A  40  LYS  A   40  .  ?        ?  
552  19  1  A  41  PHE  A   41  .  ?        ?  
553  19  1  A  42  ASN  A   42  .  ?        ?  
554  19  1  A  43  GLN  A   43  .  ?        ?  
555  19  1  A  44  VAL  A   44  .  ?        ?  
556  19  1  A  45  GLY  A   45  .  ?        ?  
557  19  1  A  46  ASN  A   46  .  ?        ?  
558  19  1  A  47  LEU  A   47  .  ?        ?  
559  19  1  A  48  LYS  A   48  .  ?        ?  
560  19  1  A  49  ALA  A   49  .  ?        ?  
561  19  1  A  50  HIS  A   50  .  ?        1  
562  19  1  A  51  LEU  A   51  .  ?        ?  
563  19  1  A  52  LYS  A   52  .  ?        ?  
564  19  1  A  53  ILE  A   53  .  ?        1  
565  19  1  A  54  HIS  A   54  .  ?        ?  
566  19  1  A  55  ILE  A   55  .  ?        ?  
567  19  1  A  56  ALA  A   56  .  ?        ?  
568  19  1  A  57  ASP  A   57  .  ?        ?  
569  19  1  A  58  GLY  A   58  .  ?        ?  
570  19  2  B   .  ZN   A  201  .  ?        ?  
571  20  1  A  30  LYS  A   30  .  ?        ?  
572  20  1  A  31  GLU  A   31  .  ?        ?  
573  20  1  A  32  HIS  A   32  .  ?        ?  
574  20  1  A  33  LYS  A   33  .  ?        ?  
575  20  1  A  34  CYS  A   34  .  ?        ?  
576  20  1  A  35  PRO  A   35  .  ?        ?  
577  20  1  A  36  HIS  A   36  .  ?        ?  
578  20  1  A  37  CYS  A   37  .  ?        ?  
579  20  1  A  38  ASP  A   38  .  ?        ?  
580  20  1  A  39  LYS  A   39  .  ?        ?  
581  20  1  A  40  LYS  A   40  .  ?        ?  
582  20  1  A  41  PHE  A   41  .  ?        ?  
583  20  1  A  42  ASN  A   42  .  ?        ?  
584  20  1  A  43  GLN  A   43  .  ?        ?  
585  20  1  A  44  VAL  A   44  .  ?        ?  
586  20  1  A  45  GLY  A   45  .  ?        ?  
587  20  1  A  46  ASN  A   46  .  ?        ?  
588  20  1  A  47  LEU  A   47  .  ?        ?  
589  20  1  A  48  LYS  A   48  .  ?        ?  
590  20  1  A  49  ALA  A   49  .  ?        ?  
591  20  1  A  50  HIS  A   50  .  ?        ?  
592  20  1  A  51  LEU  A   51  .  ?        ?  
593  20  1  A  52  LYS  A   52  .  ?        ?  
594  20  1  A  53  ILE  A   53  .  ?        ?  
595  20  1  A  54  HIS  A   54  .  ?        ?  
596  20  1  A  55  ILE  A   55  .  ?        ?  
597  20  1  A  56  ALA  A   56  .  ?        ?  
598  20  1  A  57  ASP  A   57  .  ?        ?  
599  20  1  A  58  GLY  A   58  .  ?        ?  
600  20  2  B   .  ZN   A  201  .  ?        ?  
#
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  ttpt          ?       ?  ?          12     9  0.41    11  0.43  molprobity     ?  False  
  2    2  mp0       -94.9   -26.5  Favored     6     9  0.36    12  0.35  molprobity     ?  False  
  3    3  m-70     -106.1   135.9  Favored     7    11  0.27    15  0.50  molprobity     ?  False  
  4    4  tttm     -137.5   145.2  Favored    13     9  0.32    11  0.36  molprobity     ?  False  
  5    5  t         -72.2   128.3  Favored     4     6  0.34     9  0.70  molprobity     1  True   
  6    6  Cg_exo    -71.7   -36.1  Favored     7     8  0.26    11  0.36  molprobity     1  True   
  7    7  t-80      -81.4   -34.0  Favored     7    11  0.18    15  0.17  molprobity     1  True   
  8    8  m        -106.6   143.6  Favored     4     6  0.23     8  0.21  molprobity     1  True   
  9    9  t70      -111.3   -20.2  Favored     4     8  0.14    11  0.33  molprobity     1  True   
 10   10  pttt      -60.1   145.5  Favored    13     9  0.23    11  0.44  molprobity     1  True   
 11   11  mttm     -117.2   150.2  Favored    13     9  0.31    11  0.47  molprobity     1  True   
 12   12  p90      -167.5  -180.0  Favored     9    12  0.34    16  0.24  molprobity     1  True   
 13   13  p-10      -74.6   144.2  Favored     6     8  0.28    11  0.37  molprobity     1  True   
 14   14  mp0       -90.1    11.8  Favored     8     9  0.27    12  0.36  molprobity     1  True   
 15   15  t         -83.2   -71.0  Allowed     9     7  0.13    10  0.45  molprobity     1  True   
 16   16  ?         -92.2   -53.3  Favored     3     4  0.22     5  0.51  molprobity     1  True   
 17   17  m-20      -58.6   -35.6  Favored     6     8  0.20    11  0.22  molprobity     1  True   
 18   18  tp        -67.7   -35.0  Favored    11     8  0.21    11  0.23  molprobity     1  True   
 19   19  mtmt      -59.0   -49.9  Favored    13     9  0.30    11  0.50  molprobity     1  True   
 20   20  ?         -62.9   -43.6  Favored     5     5  0.18     7  0.26  molprobity     1  True   
 21   21  t60       -56.7   -50.6  Favored     7    11  0.37    15  0.27  molprobity     1  True   
 22   22  mt        -68.4   -34.8  Favored    11     8  0.25    11  0.31  molprobity     1  True   
 23   23  tttt      -69.5   -40.3  Favored    13     9  0.20    11  0.12  molprobity     1  True   
 24   24  pt        -74.6   -13.2  Favored    11     8  0.19    11  0.49  molprobity     1  True   
 25   25  m-70      -85.3   -16.9  Favored     7    11  0.31    15  0.23  molprobity     1  True   
 26   26  mt        -98.3   -54.6  Favored    11     8  0.28    11  0.48  molprobity     1  True   
 27   27  ?        -105.6   125.6  Favored     5     5  0.24     7  0.36  molprobity     1  True   
 28   28  p-10      -64.8   109.3  Favored     4     8  0.15    11  0.45  molprobity     1  True   
 29   29  ?             ?       ?  ?           3     3  0.84     2  1.02  molprobity     ?  False  
 30   30  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 31   31  tppt?         ?       ?  ?          12     9  0.40    11  0.31  molprobity     ?  False  
 32   32  OUTLIER  -111.4    -3.4  Favored     6     9  0.28    12  0.39  molprobity     ?  False  
 33   33  m80      -120.6    98.9  Favored     7    11  0.23    15  0.32  molprobity     ?  False  
 34   34  tttt     -150.7   139.7  Favored    13     9  0.21    11  0.38  molprobity     ?  False  
 35   35  m         -90.3   121.6  Favored     4     6  0.26     9  0.72  molprobity     1  True   
 36   36  Cg_exo    -48.4   -67.3  Allowed     7     8  0.29    11  0.33  molprobity     1  True   
 37   37  t-80     -101.5   -27.1  Favored     7    11  0.21    15  0.40  molprobity     1  True   
 38   38  t         -60.0   131.8  Favored     4     6  0.34     8  0.53  molprobity     1  True   
 39   39  p-10      -83.2   -10.5  Favored     4     8  0.24    11  0.52  molprobity     1  True   
 40   40  mttp     -103.7   110.7  Favored    13     9  0.33    11  0.55  molprobity     1  True   
 41   41  mtmp?    -132.3   151.0  Favored    13     9  0.29    11  0.32  molprobity     1  True   
 42   42  m-85     -126.0  -163.3  Allowed     9    12  0.34    16  0.27  molprobity     1  True   
 43   43  m-20      -48.1   117.6  Favored     6     8  0.32    11  0.51  molprobity     1  True   
 44   44  mt-30     -47.5   -50.7  Favored     8     9  0.27    12  0.47  molprobity     1  True   
 45   45  p         -90.6   -43.2  Favored     9     7  0.22    10  0.58  molprobity     1  True   
 46   46  ?         -92.8   -62.0  Allowed     3     4  0.34     5  0.31  molprobity     1  True   
 47   47  t30       -78.8   -36.0  Favored     6     8  0.32    11  0.20  molprobity     1  True   
 48   48  tp        -70.7   -27.3  Favored    11     8  0.23    11  0.26  molprobity     1  True   
 49   49  tmtm?     -61.5   -44.4  Favored    13     9  0.20    11  0.51  molprobity     1  True   
 50   50  ?         -67.8   -35.2  Favored     5     5  0.20     7  0.41  molprobity     1  True   
 51   51  t60       -69.0   -36.4  Favored     7    11  0.30    15  0.35  molprobity     1  True   
 52   52  mt        -66.1   -34.6  Favored    11     8  0.18    11  0.28  molprobity     1  True   
 53   53  tptp      -58.8   -39.0  Favored    13     9  0.24    11  0.46  molprobity     1  True   
 54   54  mm        -67.3   -35.0  Favored    11     8  0.20    11  0.33  molprobity     1  True   
 55   55  m-70      -75.1   -26.3  Favored     7    11  0.34    15  0.21  molprobity     1  True   
 56   56  mt        -80.8   -39.7  Favored    11     8  0.25    11  0.42  molprobity     1  True   
 57   57  ?         -90.3   170.5  Favored     5     5  0.25     7  0.29  molprobity     1  True   
 58   58  t70      -100.8   111.8  Favored     4     8  0.17    11  0.46  molprobity     1  True   
 59   59  ?             ?       ?  ?           3     3  0.74     2  0.76  molprobity     ?  False  
 60   60  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 61   61  mtmt          ?       ?  ?          12     9  0.38    11  0.33  molprobity     ?  False  
 62   62  mp0        68.0  -172.3  Allowed     6     9  0.32    12  0.37  molprobity     ?  False  
 63   63  p-80     -110.8   135.7  Favored     7    11  0.24    15  0.34  molprobity     ?  False  
 64   64  mmmm     -112.5   166.1  Favored    13     9  0.22    11  0.25  molprobity     ?  False  
 65   65  t         -80.5   109.2  Favored     4     6  0.24     9  0.60  molprobity     1  True   
 66   66  Cg_endo   -62.7   -42.0  Favored     7     8  0.21    11  0.37  molprobity     1  True   
 67   67  t-160     -81.5   -34.8  Favored     7    11  0.27    15  0.23  molprobity     1  True   
 68   68  p        -153.6   101.5  Favored     4     6  0.39     8  0.35  molprobity     1  True   
 69   69  t70      -105.7    22.1  Favored     4     8  0.13    11  0.28  molprobity     1  True   
 70   70  mtpp      -51.3   112.5  Allowed    13     9  0.34    11  0.39  molprobity     1  True   
 71   71  pttt      -85.5   155.4  Favored    13     9  0.26    11  0.40  molprobity     1  True   
 72   72  m-85     -119.0  -151.2  Allowed     9    12  0.34    16  0.19  molprobity     1  True   
 73   73  m-20      -63.2   166.6  Favored     6     8  0.29    11  0.26  molprobity     1  True   
 74   74  mm-40     -53.6   -59.8  Favored     8     9  0.32    12  0.39  molprobity     1  True   
 75   75  t         -80.7   -29.0  Favored     9     7  0.15    10  0.44  molprobity     1  True   
 76   76  ?         -87.2   -18.4  Favored     3     4  0.32     5  0.48  molprobity     1  True   
 77   77  t30       -43.6   -71.4  Allowed     6     8  0.35    11  0.45  molprobity     1  True   
 78   78  tp        -78.9   -33.7  Favored    11     8  0.25    11  0.36  molprobity     1  True   
 79   79  tttm      -66.7   -43.2  Favored    13     9  0.28    11  0.41  molprobity     1  True   
 80   80  ?         -77.5   -40.7  Favored     5     5  0.17     7  0.27  molprobity     1  True   
 81   81  t60       -62.0   -42.5  Favored     7    11  0.35    15  0.25  molprobity     1  True   
 82   82  mm?       -75.8   -28.7  Favored    11     8  0.23    11  0.24  molprobity     1  True   
 83   83  tttm      -66.0   -38.0  Favored    13     9  0.24    11  0.21  molprobity     1  True   
 84   84  pp        -79.2   -21.3  Favored    11     8  0.21    11  0.41  molprobity     1  True   
 85   85  m-70      -83.2   -17.7  Favored     7    11  0.33    15  0.21  molprobity     1  True   
 86   86  pt       -108.4     9.1  Favored    11     8  0.15    11  0.48  molprobity     1  True   
 87   87  ?         -79.8   141.5  Favored     5     5  0.41     7  0.32  molprobity     1  True   
 88   88  t70      -110.9   121.8  Favored     4     8  0.16    11  0.46  molprobity     1  True   
 89   89  ?             ?       ?  ?           3     3  0.67     2  0.85  molprobity     ?  False  
 90   90  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
 91   91  OUTLIER       ?       ?  ?          12     9  0.43    11  0.40  molprobity     ?  False  
 92   92  tt0        74.8   -73.4  Allowed     6     9  0.31    12  0.32  molprobity     ?  False  
 93   93  t-160    -152.2   122.1  Favored     7    11  0.22    15  0.26  molprobity     ?  False  
 94   94  ttmt     -107.5   162.4  Favored    13     9  0.25    11  0.27  molprobity     ?  False  
 95   95  t         -83.0   119.1  Favored     4     6  0.20     9  0.63  molprobity     1  True   
 96   96  Cg_exo    -61.9   -23.6  Favored     7     8  0.18    11  0.31  molprobity     1  True   
 97   97  t-80      -90.6   -28.3  Favored     7    11  0.20    15  0.22  molprobity     1  True   
 98   98  OUTLIER  -138.3   125.1  Favored     4     6  0.30     8  0.34  molprobity     1  True   
 99   99  t70       -90.3    19.4  Favored     4     8  0.19    11  0.56  molprobity     1  True   
100  100  ttmt      -78.1   134.6  Favored    13     9  0.22    11  0.30  molprobity     1  True   
101  101  mptt     -101.5   160.6  Favored    13     9  0.29    11  0.50  molprobity     1  True   
102  102  m-85     -129.5  -158.1  Allowed     9    12  0.37    16  0.23  molprobity     1  True   
103  103  m120      -65.4   156.6  Favored     6     8  0.20    11  0.29  molprobity     1  True   
104  104  pt20      -46.7   -50.1  Favored     8     9  0.29    12  0.35  molprobity     1  True   
105  105  t         -90.5   -34.0  Favored     9     7  0.15    10  0.41  molprobity     1  True   
106  106  ?         -80.2   -16.9  Favored     3     4  0.31     5  0.56  molprobity     1  True   
107  107  t30       -38.8   -65.8  Allowed     6     8  0.39    11  0.42  molprobity     1  True   
108  108  tp        -86.4   -37.4  Favored    11     8  0.26    11  0.32  molprobity     1  True   
109  109  tttm      -62.6   -45.2  Favored    13     9  0.25    11  0.38  molprobity     1  True   
110  110  ?         -78.5   -27.4  Favored     5     5  0.17     7  0.34  molprobity     1  True   
111  111  t60       -60.7   -46.2  Favored     7    11  0.32    15  0.38  molprobity     1  True   
112  112  mt        -66.4   -32.1  Favored    11     8  0.24    11  0.25  molprobity     1  True   
113  113  tmtt?     -64.9   -45.7  Favored    13     9  0.20    11  0.24  molprobity     1  True   
114  114  pp        -73.2   -12.7  Favored    11     8  0.24    11  0.40  molprobity     1  True   
115  115  m-70      -86.8   -11.3  Favored     7    11  0.31    15  0.26  molprobity     1  True   
116  116  mt       -105.2   -48.1  Favored    11     8  0.24    11  0.39  molprobity     1  True   
117  117  ?         -88.3   125.7  Favored     5     5  0.28     7  0.32  molprobity     1  True   
118  118  m-20      -61.6   126.9  Favored     4     8  0.14    11  0.36  molprobity     1  True   
119  119  ?             ?       ?  ?           3     3  0.68     2  0.85  molprobity     ?  False  
120  120  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
121  121  mttt          ?       ?  ?          12     9  0.41    11  0.24  molprobity     ?  False  
122  122  OUTLIER   -84.0    52.6  Favored     6     9  0.39    12  0.40  molprobity     ?  False  
123  123  m-70     -121.9    90.0  Favored     7    11  0.24    15  0.28  molprobity     ?  False  
124  124  pttt      -82.6   155.3  Favored    13     9  0.31    11  0.27  molprobity     ?  False  
125  125  t         -88.4   113.1  Favored     4     6  0.33     9  0.54  molprobity     1  True   
126  126  Cg_exo    -67.2   -21.8  Favored     7     8  0.22    11  0.39  molprobity     1  True   
127  127  t-80      -84.2   -18.0  Favored     7    11  0.26    15  0.23  molprobity     1  True   
128  128  m        -114.6   148.7  Favored     4     6  0.32     8  0.37  molprobity     1  True   
129  129  OUTLIER  -109.8    18.9  Favored     4     8  0.29    11  0.46  molprobity     1  True   
130  130  mttm     -113.5   158.3  Favored    13     9  0.24    11  0.26  molprobity     1  True   
131  131  mttm     -100.0   117.3  Favored    13     9  0.27    11  0.25  molprobity     1  True   
132  132  m-85     -114.2   145.3  Favored     9    12  0.33    16  0.27  molprobity     1  True   
133  133  m-20      -57.5   119.5  Favored     6     8  0.27    11  0.44  molprobity     1  True   
134  134  mp0       -69.0   -15.4  Favored     8     9  0.26    12  0.33  molprobity     1  True   
135  135  m         -91.5   -70.2  Allowed     9     7  0.29    10  0.55  molprobity     1  True   
136  136  ?         -92.2   -52.4  Favored     3     4  0.34     5  0.18  molprobity     1  True   
137  137  t30       -63.1   -36.6  Favored     6     8  0.27    11  0.28  molprobity     1  True   
138  138  tt        -66.5   -44.2  Favored    11     8  0.21    11  0.30  molprobity     1  True   
139  139  pttt      -65.3   -37.8  Favored    13     9  0.21    11  0.26  molprobity     1  True   
140  140  ?         -67.8   -38.8  Favored     5     5  0.27     7  0.48  molprobity     1  True   
141  141  t60       -63.9   -33.6  Favored     7    11  0.33    15  0.26  molprobity     1  True   
142  142  mt        -72.9   -31.1  Favored    11     8  0.21    11  0.20  molprobity     1  True   
143  143  ttpt      -74.0   -35.0  Favored    13     9  0.21    11  0.21  molprobity     1  True   
144  144  pt        -77.5   -12.6  Favored    11     8  0.19    11  0.47  molprobity     1  True   
145  145  OUTLIER   -78.4   -38.5  Favored     7    11  0.32    15  0.32  molprobity     1  True   
146  146  pt        -87.6    -5.8  Favored    11     8  0.20    11  0.43  molprobity     1  True   
147  147  ?        -101.5   154.9  Favored     5     5  0.24     7  0.18  molprobity     1  True   
148  148  OUTLIER  -103.7   116.2  Favored     4     8  0.17    11  0.35  molprobity     1  True   
149  149  ?             ?       ?  ?           3     3  0.71     2  0.80  molprobity     ?  False  
150  150  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
151  151  mmtm          ?       ?  ?          12     9  0.40    11  0.29  molprobity     ?  False  
152  152  mp0       -95.4   124.4  Favored     6     9  0.37    12  0.38  molprobity     ?  False  
153  153  p-80     -115.1    89.5  Favored     7    11  0.31    15  0.49  molprobity     ?  False  
154  154  pttt     -151.3   166.2  Favored    13     9  0.29    11  0.54  molprobity     ?  False  
155  155  t         -88.2   107.3  Favored     4     6  0.27     9  0.54  molprobity     1  True   
156  156  Cg_exo    -69.9   -23.6  Favored     7     8  0.22    11  0.40  molprobity     1  True   
157  157  t-80      -90.5    -8.5  Favored     7    11  0.24    15  0.20  molprobity     1  True   
158  158  m        -123.2   108.4  Favored     4     6  0.23     8  0.29  molprobity     1  True   
159  159  m-20      -76.3    19.9  Allowed     4     8  0.29    11  0.42  molprobity     1  True   
160  160  mtpt      -76.0   148.2  Favored    13     9  0.29    11  0.29  molprobity     1  True   
161  161  mtmm     -109.7   128.8  Favored    13     9  0.26    11  0.22  molprobity     1  True   
162  162  p90      -161.0   175.1  Favored     9    12  0.59    16  0.34  molprobity     1  True   
163  163  t30       -64.4   114.8  Favored     6     8  0.30    11  0.33  molprobity     1  True   
164  164  mt-30     -76.2    -6.1  Favored     8     9  0.25    12  0.27  molprobity     1  True   
165  165  t         -89.3   -56.2  Favored     9     7  0.14    10  0.47  molprobity     1  True   
166  166  ?         -91.0   -60.5  Allowed     3     4  0.32     5  0.23  molprobity     1  True   
167  167  t-20      -63.3   -43.4  Favored     6     8  0.23    11  0.24  molprobity     1  True   
168  168  tp        -58.1   -38.4  Favored    11     8  0.25    11  0.23  molprobity     1  True   
169  169  tttp      -61.8   -45.4  Favored    13     9  0.23    11  0.25  molprobity     1  True   
170  170  ?         -72.4   -31.4  Favored     5     5  0.22     7  0.41  molprobity     1  True   
171  171  t60       -64.0   -44.6  Favored     7    11  0.36    15  0.35  molprobity     1  True   
172  172  mt        -73.0   -31.6  Favored    11     8  0.22    11  0.27  molprobity     1  True   
173  173  tptt      -66.1   -45.8  Favored    13     9  0.20    11  0.19  molprobity     1  True   
174  174  tt        -73.0   -14.1  Favored    11     8  0.20    11  0.33  molprobity     1  True   
175  175  m-70      -74.9   -33.0  Favored     7    11  0.33    15  0.31  molprobity     1  True   
176  176  mm        -89.1   -49.2  Favored    11     8  0.23    11  0.47  molprobity     1  True   
177  177  ?         -98.9   119.8  Favored     5     5  0.25     7  0.23  molprobity     1  True   
178  178  m-20      -68.9   136.7  Favored     4     8  0.19    11  0.37  molprobity     1  True   
179  179  ?             ?       ?  ?           3     3  0.77     2  1.12  molprobity     ?  False  
180  180  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
181  181  mtmt          ?       ?  ?          12     9  0.37    11  0.34  molprobity     ?  False  
182  182  mm-40     -99.0   126.1  Favored     6     9  0.39    12  0.44  molprobity     ?  False  
183  183  OUTLIER  -160.4   103.4  Allowed     7    11  0.22    15  0.31  molprobity     ?  False  
184  184  pttt     -122.6   162.2  Favored    13     9  0.23    11  0.31  molprobity     ?  False  
185  185  t        -100.5   102.9  Favored     4     6  0.20     9  0.47  molprobity     1  True   
186  186  Cg_exo    -77.5   -10.7  Favored     7     8  0.33    11  0.40  molprobity     1  True   
187  187  t60       -73.7   -39.6  Favored     7    11  0.20    15  0.21  molprobity     1  True   
188  188  m        -101.8   105.0  Favored     4     6  0.19     8  0.32  molprobity     1  True   
189  189  p-10      -89.8    14.6  Favored     4     8  0.20    11  0.41  molprobity     1  True   
190  190  pttt      -78.7   137.3  Favored    13     9  0.26    11  0.49  molprobity     1  True   
191  191  mptp?     -88.7   137.5  Favored    13     9  0.27    11  0.33  molprobity     1  True   
192  192  p90      -161.5  -169.4  Favored     9    12  0.34    16  0.30  molprobity     1  True   
193  193  t-20      -74.9   126.3  Favored     6     8  0.25    11  0.37  molprobity     1  True   
194  194  tp60      -74.5   -36.9  Favored     8     9  0.26    12  0.37  molprobity     1  True   
195  195  t         -68.3   -62.3  Allowed     9     7  0.13    10  0.49  molprobity     1  True   
196  196  ?         -92.5   -60.1  Allowed     3     4  0.24     5  0.29  molprobity     1  True   
197  197  t30       -62.9   -40.0  Favored     6     8  0.28    11  0.24  molprobity     1  True   
198  198  tt        -69.6   -27.2  Favored    11     8  0.19    11  0.27  molprobity     1  True   
199  199  mmtp      -63.7   -43.2  Favored    13     9  0.27    11  0.31  molprobity     1  True   
200  200  ?         -67.3   -32.9  Favored     5     5  0.19     7  0.40  molprobity     1  True   
201  201  t60       -64.3   -39.4  Favored     7    11  0.31    15  0.32  molprobity     1  True   
202  202  mt        -67.2   -38.7  Favored    11     8  0.20    11  0.31  molprobity     1  True   
203  203  tmtp?     -54.8   -44.4  Favored    13     9  0.27    11  0.52  molprobity     1  True   
204  204  mm        -56.4   -38.4  Favored    11     8  0.20    11  0.42  molprobity     1  True   
205  205  m-70      -78.2    -6.0  Favored     7    11  0.31    15  0.24  molprobity     1  True   
206  206  mp       -112.3   -53.3  Favored    11     8  0.30    11  0.50  molprobity     1  True   
207  207  ?        -104.1   121.0  Favored     5     5  0.38     7  0.20  molprobity     1  True   
208  208  p-10      -89.4   147.6  Favored     4     8  0.15    11  0.32  molprobity     1  True   
209  209  ?             ?       ?  ?           3     3  0.77     2  0.79  molprobity     ?  False  
210  210  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
211  211  OUTLIER       ?       ?  ?          12     9  0.50    11  0.44  molprobity     ?  False  
212  212  mm-40     -89.8   117.1  Favored     6     9  0.31    12  0.31  molprobity     ?  False  
213  213  t60      -101.0    89.5  Favored     7    11  0.29    15  0.29  molprobity     ?  False  
214  214  OUTLIER   -92.3   165.2  Favored    13     9  0.28    11  0.29  molprobity     ?  False  
215  215  t         -87.2   110.0  Favored     4     6  0.15     9  0.70  molprobity     1  True   
216  216  Cg_exo    -65.3   -29.8  Favored     7     8  0.20    11  0.31  molprobity     1  True   
217  217  t-80      -81.8   -22.5  Favored     7    11  0.19    15  0.23  molprobity     1  True   
218  218  OUTLIER  -142.3   116.1  Favored     4     6  0.28     8  0.35  molprobity     1  True   
219  219  m-20      -86.4     1.7  Favored     4     8  0.20    11  0.31  molprobity     1  True   
220  220  OUTLIER   -59.5   124.1  Favored    13     9  0.34    11  0.31  molprobity     1  True   
221  221  ptpp?    -123.5   130.7  Favored    13     9  0.30    11  0.46  molprobity     1  True   
222  222  m-85      -90.5  -151.3  Allowed     9    12  0.77    16  0.36  molprobity     1  True   
223  223  t30       -54.1   127.3  Favored     6     8  0.27    11  0.44  molprobity     1  True   
224  224  pt20      -35.0   -66.0  Allowed     8     9  0.38    12  0.50  molprobity     1  True   
225  225  p         -82.0   -29.0  Favored     9     7  0.22    10  0.37  molprobity     1  True   
226  226  ?         -81.3   -17.8  Favored     3     4  0.15     5  0.78  molprobity     1  True   
227  227  t30       -43.8   -64.5  Allowed     6     8  0.29    11  0.29  molprobity     1  True   
228  228  tp        -61.5   -36.8  Favored    11     8  0.22    11  0.21  molprobity     1  True   
229  229  tmtp?     -60.2   -56.9  Favored    13     9  0.24    11  0.38  molprobity     1  True   
230  230  ?         -67.0   -34.2  Favored     5     5  0.18     7  0.41  molprobity     1  True   
231  231  t60       -60.8   -47.3  Favored     7    11  0.31    15  0.26  molprobity     1  True   
232  232  mt        -75.5   -31.9  Favored    11     8  0.23    11  0.26  molprobity     1  True   
233  233  tptp      -60.9   -50.0  Favored    13     9  0.24    11  0.34  molprobity     1  True   
234  234  tp        -76.2   -11.6  Favored    11     8  0.28    11  0.34  molprobity     1  True   
235  235  OUTLIER   -82.0   -48.5  Favored     7    11  0.30    15  0.26  molprobity     1  True   
236  236  mt        -87.5   -50.4  Favored    11     8  0.20    11  0.43  molprobity     1  True   
237  237  ?         -86.8   135.6  Favored     5     5  0.32     7  0.39  molprobity     1  True   
238  238  m-20      -74.4   109.3  Favored     4     8  0.18    11  0.41  molprobity     1  True   
239  239  ?             ?       ?  ?           3     3  0.77     2  0.93  molprobity     ?  False  
240  240  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
241  241  pttm          ?       ?  ?          12     9  0.42    11  0.19  molprobity     ?  False  
242  242  tp10     -147.9   166.1  Favored     6     9  0.33    12  0.43  molprobity     ?  False  
243  243  m80       -93.1   123.4  Favored     7    11  0.28    15  0.39  molprobity     ?  False  
244  244  tttp     -127.3   144.3  Favored    13     9  0.29    11  0.24  molprobity     ?  False  
245  245  t         -91.8   132.0  Favored     4     6  0.23     9  0.55  molprobity     1  True   
246  246  Cg_endo   -66.7   -15.8  Favored     7     8  0.16    11  0.28  molprobity     1  True   
247  247  m-70     -100.3   -34.1  Favored     7    11  0.20    15  0.33  molprobity     1  True   
248  248  m        -129.2   139.8  Favored     4     6  0.37     8  0.49  molprobity     1  True   
249  249  p-10      -89.2   -20.4  Favored     4     8  0.18    11  0.47  molprobity     1  True   
250  250  pttm      -79.0   142.3  Favored    13     9  0.33    11  0.34  molprobity     1  True   
251  251  pttp     -128.9   157.4  Favored    13     9  0.29    11  0.30  molprobity     1  True   
252  252  m-85      -98.7  -167.8  Allowed     9    12  0.32    16  0.29  molprobity     1  True   
253  253  m-80      -53.7   146.3  Favored     6     8  0.24    11  0.63  molprobity     1  True   
254  254  pt20      -50.4   -33.1  Favored     8     9  0.22    12  0.43  molprobity     1  True   
255  255  t         -89.5   -57.4  Favored     9     7  0.12    10  0.45  molprobity     1  True   
256  256  ?         -72.3   -15.7  Favored     3     4  0.27     5  0.59  molprobity     1  True   
257  257  t30       -38.0   -71.1  Allowed     6     8  0.40    11  0.43  molprobity     1  True   
258  258  mm?       -78.3   -30.2  Favored    11     8  0.29    11  0.33  molprobity     1  True   
259  259  mtpp      -61.5   -47.9  Favored    13     9  0.29    11  0.24  molprobity     1  True   
260  260  ?         -76.7   -31.8  Favored     5     5  0.25     7  0.35  molprobity     1  True   
261  261  t60       -62.7   -48.4  Favored     7    11  0.33    15  0.22  molprobity     1  True   
262  262  mt        -74.5   -34.5  Favored    11     8  0.23    11  0.22  molprobity     1  True   
263  263  OUTLIER   -70.1   -32.0  Favored    13     9  0.29    11  0.30  molprobity     1  True   
264  264  tp        -83.6   -18.3  Favored    11     8  0.23    11  0.40  molprobity     1  True   
265  265  m-70      -83.2   -28.2  Favored     7    11  0.32    15  0.28  molprobity     1  True   
266  266  pt        -90.4    -2.3  Favored    11     8  0.19    11  0.48  molprobity     1  True   
267  267  ?         -83.4   123.6  Favored     5     5  0.51     7  0.38  molprobity     1  True   
268  268  t70      -110.6   110.0  Favored     4     8  0.23    11  0.41  molprobity     1  True   
269  269  ?             ?       ?  ?           3     3  0.72     2  0.81  molprobity     ?  False  
270  270  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
271  271  tptm          ?       ?  ?          12     9  0.38    11  0.29  molprobity     ?  False  
272  272  mt-10      58.3    49.2  Favored     6     9  0.21    12  0.30  molprobity     ?  False  
273  273  m170      -94.2   150.6  Favored     7    11  0.29    15  0.39  molprobity     ?  False  
274  274  ptpp?    -126.2   165.7  Favored    13     9  0.29    11  0.29  molprobity     ?  False  
275  275  OUTLIER   -59.1   126.6  Favored     4     6  0.24     9  0.60  molprobity     1  True   
276  276  Cg_endo   -45.4   -51.5  Favored     7     8  0.38    11  0.39  molprobity     1  True   
277  277  t-80     -101.9    -7.0  Favored     7    11  0.22    15  0.27  molprobity     1  True   
278  278  t        -119.9   109.8  Favored     4     6  0.35     8  0.43  molprobity     1  True   
279  279  p-10      -84.6     1.5  Favored     4     8  0.22    11  0.39  molprobity     1  True   
280  280  pttt     -107.7   143.7  Favored    13     9  0.32    11  0.54  molprobity     1  True   
281  281  ttpp     -153.8   144.6  Favored    13     9  0.28    11  0.46  molprobity     1  True   
282  282  m-85     -101.8  -160.3  Allowed     9    12  0.99    16  0.48  molprobity     1  True   
283  283  m-20      -56.7   151.8  Favored     6     8  0.28    11  0.33  molprobity     1  True   
284  284  mt-30     -91.1   -22.5  Favored     8     9  0.26    12  0.39  molprobity     1  True   
285  285  t         -69.8   -72.6  Allowed     9     7  0.20    10  0.54  molprobity     1  True   
286  286  ?         -93.8   -53.2  Allowed     3     4  0.29     5  0.60  molprobity     1  True   
287  287  m120      -54.3   -53.9  Favored     6     8  0.28    11  0.26  molprobity     1  True   
288  288  tp        -58.1   -40.5  Favored    11     8  0.21    11  0.22  molprobity     1  True   
289  289  mtpp      -64.0   -37.0  Favored    13     9  0.20    11  0.25  molprobity     1  True   
290  290  ?         -80.5   -30.3  Favored     5     5  0.22     7  0.42  molprobity     1  True   
291  291  t60       -67.5   -42.4  Favored     7    11  0.34    15  0.26  molprobity     1  True   
292  292  mt        -66.4   -34.8  Favored    11     8  0.25    11  0.30  molprobity     1  True   
293  293  ttmt      -65.1   -47.2  Favored    13     9  0.26    11  0.11  molprobity     1  True   
294  294  tp        -66.5   -21.6  Favored    11     8  0.23    11  0.37  molprobity     1  True   
295  295  m-70      -82.7   -37.1  Favored     7    11  0.26    15  0.28  molprobity     1  True   
296  296  pt        -84.2   -22.1  Favored    11     8  0.20    11  0.43  molprobity     1  True   
297  297  ?         -83.0   165.8  Favored     5     5  0.36     7  0.27  molprobity     1  True   
298  298  p-10     -105.3   138.5  Favored     4     8  0.19    11  0.39  molprobity     1  True   
299  299  ?             ?       ?  ?           3     3  0.78     2  0.85  molprobity     ?  False  
300  300  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
301  301  tttt          ?       ?  ?          12     9  0.37    11  0.40  molprobity     ?  False  
302  302  mt-10      64.0  -171.0  Allowed     6     9  0.30    12  0.41  molprobity     ?  False  
303  303  m80      -128.9   139.4  Favored     7    11  0.26    15  0.31  molprobity     ?  False  
304  304  pttm     -130.9   165.8  Favored    13     9  0.28    11  0.28  molprobity     ?  False  
305  305  m         -92.3   107.8  Favored     4     6  0.29     9  0.62  molprobity     1  True   
306  306  Cg_exo    -77.4   -67.7  OUTLIER     7     8  0.37    11  0.40  molprobity     1  True   
307  307  p80      -100.5   -25.6  Favored     7    11  0.32    15  0.42  molprobity     1  True   
308  308  p         -80.8    79.1  Favored     4     6  0.27     8  0.50  molprobity     1  True   
309  309  t70       -67.9   -17.9  Favored     4     8  0.16    11  0.43  molprobity     1  True   
310  310  OUTLIER   -55.4   126.6  Favored    13     9  0.28    11  0.51  molprobity     1  True   
311  311  mtmt      -95.2   125.6  Favored    13     9  0.35    11  0.30  molprobity     1  True   
312  312  m-85     -117.9   172.6  Favored     9    12  0.37    16  0.25  molprobity     1  True   
313  313  m-80      -61.8   121.2  Favored     6     8  0.28    11  0.34  molprobity     1  True   
314  314  mt-30     -63.4   -26.1  Favored     8     9  0.26    12  0.30  molprobity     1  True   
315  315  t         -73.8   -71.2  Allowed     9     7  0.14    10  0.49  molprobity     1  True   
316  316  ?         -91.1   -60.5  Allowed     3     4  0.19     5  0.30  molprobity     1  True   
317  317  m120      -55.1   -45.0  Favored     6     8  0.25    11  0.31  molprobity     1  True   
318  318  tp        -63.2   -32.7  Favored    11     8  0.19    11  0.20  molprobity     1  True   
319  319  mmtm      -71.8   -34.4  Favored    13     9  0.26    11  0.28  molprobity     1  True   
320  320  ?         -77.1   -25.6  Favored     5     5  0.26     7  0.41  molprobity     1  True   
321  321  t60       -75.8   -39.1  Favored     7    11  0.36    15  0.23  molprobity     1  True   
322  322  mt        -69.8   -22.0  Favored    11     8  0.23    11  0.39  molprobity     1  True   
323  323  tttt      -67.0   -39.3  Favored    13     9  0.20    11  0.30  molprobity     1  True   
324  324  pt        -80.1   -17.3  Favored    11     8  0.15    11  0.43  molprobity     1  True   
325  325  m-70      -58.9   -48.8  Favored     7    11  0.38    15  0.60  molprobity     1  True   
326  326  pt        -94.6    11.2  Favored    11     8  0.13    11  0.46  molprobity     1  True   
327  327  ?         -64.0   134.2  Favored     5     5  0.30     7  0.31  molprobity     1  True   
328  328  t70       -90.4   139.6  Favored     4     8  0.15    11  0.33  molprobity     1  True   
329  329  ?             ?       ?  ?           3     3  0.77     2  0.90  molprobity     ?  False  
330  330  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
331  331  ptmm?         ?       ?  ?          12     9  0.38    11  0.33  molprobity     ?  False  
332  332  mt-10      65.4    31.9  Favored     6     9  0.32    12  0.29  molprobity     ?  False  
333  333  t-80      -95.3    88.5  Favored     7    11  0.25    15  0.34  molprobity     ?  False  
334  334  pttt     -108.2   165.5  Favored    13     9  0.27    11  0.30  molprobity     ?  False  
335  335  p         -83.1   173.7  Favored     4     6  0.24     9  0.49  molprobity     1  True   
336  336  Cg_endo   -65.3  -158.7  OUTLIER     7     8  0.28    11  0.41  molprobity     1  True   
337  337  m-70      -79.4   -24.8  Favored     7    11  0.18    15  0.42  molprobity     1  True   
338  338  m          62.7  -171.7  Allowed     4     6  0.27     8  0.20  molprobity     1  True   
339  339  t70       -68.3   -50.4  Favored     4     8  0.19    11  0.35  molprobity     1  True   
340  340  mtpt      -95.5   101.7  Favored    13     9  0.24    11  0.24  molprobity     1  True   
341  341  pttt      -96.8   155.3  Favored    13     9  0.20    11  0.33  molprobity     1  True   
342  342  m-85     -145.5   170.2  Favored     9    12  0.42    16  0.27  molprobity     1  True   
343  343  m120      -83.3   143.7  Favored     6     8  0.26    11  0.27  molprobity     1  True   
344  344  mt-30     -77.2    -8.0  Favored     8     9  0.25    12  0.43  molprobity     1  True   
345  345  t         -78.2   -73.8  Allowed     9     7  0.16    10  0.41  molprobity     1  True   
346  346  ?         -94.3   -46.0  Favored     3     4  0.37     5  0.59  molprobity     1  True   
347  347  m120      -67.8   -40.9  Favored     6     8  0.22    11  0.21  molprobity     1  True   
348  348  tp        -64.6   -32.0  Favored    11     8  0.26    11  0.23  molprobity     1  True   
349  349  tttt      -65.8   -32.7  Favored    13     9  0.21    11  0.32  molprobity     1  True   
350  350  ?         -78.9   -32.8  Favored     5     5  0.20     7  0.43  molprobity     1  True   
351  351  t60       -64.7   -44.9  Favored     7    11  0.33    15  0.36  molprobity     1  True   
352  352  mt        -73.6   -24.4  Favored    11     8  0.28    11  0.31  molprobity     1  True   
353  353  tptm      -60.5   -50.2  Favored    13     9  0.23    11  0.20  molprobity     1  True   
354  354  pt        -73.1   -16.6  Favored    11     8  0.17    11  0.42  molprobity     1  True   
355  355  OUTLIER   -73.7   -51.2  Favored     7    11  0.33    15  0.35  molprobity     1  True   
356  356  mt        -83.8   -47.1  Favored    11     8  0.28    11  0.43  molprobity     1  True   
357  357  ?        -100.4   119.2  Favored     5     5  0.35     7  0.27  molprobity     1  True   
358  358  m-20      -95.7   149.2  Favored     4     8  0.25    11  0.41  molprobity     1  True   
359  359  ?             ?       ?  ?           3     3  0.78     2  1.00  molprobity     ?  False  
360  360  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
361  361  pttt          ?       ?  ?          12     9  0.39    11  0.30  molprobity     ?  False  
362  362  mt-10      58.1    89.1  Allowed     6     9  0.23    12  0.40  molprobity     ?  False  
363  363  p80       -82.8   162.2  Favored     7    11  0.24    15  0.29  molprobity     ?  False  
364  364  ptpt     -104.6   158.6  Favored    13     9  0.20    11  0.34  molprobity     ?  False  
365  365  OUTLIER   -77.5   121.2  Favored     4     6  0.23     9  0.65  molprobity     1  True   
366  366  Cg_endo   -46.3   -60.8  Allowed     7     8  0.30    11  0.43  molprobity     1  True   
367  367  p80       -99.3    -8.9  Favored     7    11  0.24    15  0.30  molprobity     1  True   
368  368  m         -88.7   111.6  Favored     4     6  0.27     8  0.35  molprobity     1  True   
369  369  p-10      -85.1   -29.2  Favored     4     8  0.21    11  0.34  molprobity     1  True   
370  370  ptmt      -70.6   144.5  Favored    13     9  0.27    11  0.30  molprobity     1  True   
371  371  mttp     -124.8   144.9  Favored    13     9  0.27    11  0.24  molprobity     1  True   
372  372  p90      -162.6  -172.7  Favored     9    12  0.45    16  0.31  molprobity     1  True   
373  373  t-20      -50.0   125.0  Favored     6     8  0.31    11  0.36  molprobity     1  True   
374  374  tt0       -88.3   -44.4  Favored     8     9  0.26    12  0.36  molprobity     1  True   
375  375  t         -52.3   -57.7  Favored     9     7  0.16    10  0.57  molprobity     1  True   
376  376  ?         -92.0   -60.6  Allowed     3     4  0.42     5  0.23  molprobity     1  True   
377  377  m-20      -74.5   -53.0  Favored     6     8  0.21    11  0.32  molprobity     1  True   
378  378  tp        -62.3   -39.5  Favored    11     8  0.22    11  0.23  molprobity     1  True   
379  379  mtpt      -62.7   -40.8  Favored    13     9  0.21    11  0.18  molprobity     1  True   
380  380  ?         -69.2   -32.2  Favored     5     5  0.31     7  0.43  molprobity     1  True   
381  381  t60       -70.3   -35.3  Favored     7    11  0.31    15  0.33  molprobity     1  True   
382  382  mt        -65.6   -29.9  Favored    11     8  0.18    11  0.24  molprobity     1  True   
383  383  mmtt      -61.3   -49.5  Favored    13     9  0.16    11  0.32  molprobity     1  True   
384  384  tt        -71.3   -13.3  Favored    11     8  0.24    11  0.32  molprobity     1  True   
385  385  m-70      -81.3   -42.6  Favored     7    11  0.29    15  0.31  molprobity     1  True   
386  386  pt        -90.6   -26.0  Favored    11     8  0.21    11  0.43  molprobity     1  True   
387  387  ?         -94.4   156.9  Favored     5     5  0.30     7  0.34  molprobity     1  True   
388  388  m-20      -87.6   109.8  Favored     4     8  0.19    11  0.40  molprobity     1  True   
389  389  ?             ?       ?  ?           3     3  0.74     2  0.95  molprobity     ?  False  
390  390  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
391  391  mttm          ?       ?  ?          12     9  0.41    11  0.24  molprobity     ?  False  
392  392  mt-10     -77.0   139.8  Favored     6     9  0.24    12  0.32  molprobity     ?  False  
393  393  t60      -100.6    99.1  Favored     7    11  0.20    15  0.28  molprobity     ?  False  
394  394  ptmm?     -84.3   165.9  Favored    13     9  0.26    11  0.29  molprobity     ?  False  
395  395  m         -63.7   109.5  Favored     4     6  0.24     9  0.45  molprobity     1  True   
396  396  Cg_endo   -91.6   -68.2  OUTLIER     7     8  0.51    11  0.47  molprobity     1  True   
397  397  p-80      -78.8   -11.4  Favored     7    11  0.35    15  0.33  molprobity     1  True   
398  398  m         -75.1   113.3  Favored     4     6  0.28     8  0.33  molprobity     1  True   
399  399  p30      -100.2    -0.2  Favored     4     8  0.29    11  0.49  molprobity     1  True   
400  400  mtpp      -70.7   125.0  Favored    13     9  0.29    11  0.33  molprobity     1  True   
401  401  tptp     -106.1   123.8  Favored    13     9  0.32    11  0.33  molprobity     1  True   
402  402  p90      -157.3  -164.4  Allowed     9    12  0.31    16  0.27  molprobity     1  True   
403  403  m-20      -59.2   117.1  Favored     6     8  0.32    11  0.30  molprobity     1  True   
404  404  mt-30     -87.6   -41.4  Favored     8     9  0.25    12  0.29  molprobity     1  True   
405  405  m         -60.5   -53.1  Favored     9     7  0.19    10  0.53  molprobity     1  True   
406  406  ?         -93.2   -60.5  Allowed     3     4  0.31     5  0.34  molprobity     1  True   
407  407  t30       -65.8   -45.7  Favored     6     8  0.24    11  0.28  molprobity     1  True   
408  408  tp        -62.2   -32.1  Favored    11     8  0.23    11  0.24  molprobity     1  True   
409  409  mtpp      -63.4   -47.4  Favored    13     9  0.23    11  0.25  molprobity     1  True   
410  410  ?         -65.3   -27.4  Favored     5     5  0.24     7  0.47  molprobity     1  True   
411  411  t60       -72.9   -34.0  Favored     7    11  0.33    15  0.43  molprobity     1  True   
412  412  mt        -73.2   -31.6  Favored    11     8  0.21    11  0.33  molprobity     1  True   
413  413  mmmt      -60.3   -46.7  Favored    13     9  0.21    11  0.19  molprobity     1  True   
414  414  tt        -69.7   -24.6  Favored    11     8  0.26    11  0.33  molprobity     1  True   
415  415  m-70      -67.7   -31.6  Favored     7    11  0.30    15  0.34  molprobity     1  True   
416  416  mt        -94.1   -50.5  Favored    11     8  0.25    11  0.40  molprobity     1  True   
417  417  ?         -99.0   119.3  Favored     5     5  0.41     7  0.32  molprobity     1  True   
418  418  p-10      -90.5   149.4  Favored     4     8  0.24    11  0.32  molprobity     1  True   
419  419  ?             ?       ?  ?           3     3  0.80     2  0.99  molprobity     ?  False  
420  420  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
421  421  tttt          ?       ?  ?          12     9  0.39    11  0.36  molprobity     ?  False  
422  422  tp10     -112.3   -80.9  Allowed     6     9  0.36    12  0.35  molprobity     ?  False  
423  423  m80      -143.0   143.8  Favored     7    11  0.31    15  0.26  molprobity     ?  False  
424  424  ptpp?     -92.5   156.1  Favored    13     9  0.29    11  0.25  molprobity     ?  False  
425  425  t        -101.0    99.0  Favored     4     6  0.18     9  0.44  molprobity     1  True   
426  426  Cg_endo   -86.8    -3.6  Favored     7     8  0.39    11  0.52  molprobity     1  True   
427  427  t60       -73.2   -23.6  Favored     7    11  0.24    15  0.30  molprobity     1  True   
428  428  m        -111.8   153.4  Favored     4     6  0.39     8  0.32  molprobity     1  True   
429  429  t70      -103.9    20.4  Favored     4     8  0.24    11  0.43  molprobity     1  True   
430  430  mmmt      -76.6   130.2  Favored    13     9  0.43    11  0.47  molprobity     1  True   
431  431  tppp?    -132.7   131.4  Favored    13     9  0.26    11  0.24  molprobity     1  True   
432  432  m-85     -124.1  -167.2  Allowed     9    12  0.35    16  0.19  molprobity     1  True   
433  433  t-20      -60.7   147.3  Favored     6     8  0.37    11  0.41  molprobity     1  True   
434  434  mt-30     -40.5   -50.3  Favored     8     9  0.36    12  0.48  molprobity     1  True   
435  435  m         -80.1   -34.2  Favored     9     7  0.15    10  0.48  molprobity     1  True   
436  436  ?         -91.1   -18.9  Favored     3     4  0.23     5  0.57  molprobity     1  True   
437  437  t30       -45.7   -71.2  Allowed     6     8  0.28    11  0.42  molprobity     1  True   
438  438  tp        -75.3   -28.7  Favored    11     8  0.32    11  0.29  molprobity     1  True   
439  439  tttt      -65.7   -51.2  Favored    13     9  0.24    11  0.27  molprobity     1  True   
440  440  ?         -71.1   -26.8  Favored     5     5  0.20     7  0.32  molprobity     1  True   
441  441  t60       -61.6   -51.0  Favored     7    11  0.32    15  0.27  molprobity     1  True   
442  442  mp        -72.9   -33.7  Favored    11     8  0.23    11  0.28  molprobity     1  True   
443  443  tttp      -61.1   -39.8  Favored    13     9  0.22    11  0.30  molprobity     1  True   
444  444  OUTLIER   -74.3   -20.6  Favored    11     8  0.26    11  0.30  molprobity     1  True   
445  445  m-70      -78.8   -37.0  Favored     7    11  0.35    15  0.25  molprobity     1  True   
446  446  mt        -75.2   -41.4  Favored    11     8  0.22    11  0.42  molprobity     1  True   
447  447  ?         -88.8   166.6  Favored     5     5  0.27     7  0.24  molprobity     1  True   
448  448  p-10     -100.0   144.4  Favored     4     8  0.23    11  0.34  molprobity     1  True   
449  449  ?             ?       ?  ?           3     3  0.85     2  1.16  molprobity     ?  False  
450  450  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
451  451  mttt          ?       ?  ?          12     9  0.42    11  0.21  molprobity     ?  False  
452  452  pt-20    -121.6     7.0  Favored     6     9  0.44    12  0.38  molprobity     ?  False  
453  453  m170     -119.0   133.7  Favored     7    11  0.24    15  0.36  molprobity     ?  False  
454  454  pttp      -82.9   165.7  Favored    13     9  0.28    11  0.40  molprobity     ?  False  
455  455  t         -58.6   114.8  Favored     4     6  0.32     9  0.53  molprobity     1  True   
456  456  Cg_exo    -74.4   -31.9  Favored     7     8  0.27    11  0.42  molprobity     1  True   
457  457  t60       -73.0   -33.1  Favored     7    11  0.23    15  0.17  molprobity     1  True   
458  458  m         -99.8   113.4  Favored     4     6  0.24     8  0.43  molprobity     1  True   
459  459  m-20      -75.5     5.1  Favored     4     8  0.30    11  0.52  molprobity     1  True   
460  460  mtmt      -77.9   150.9  Favored    13     9  0.26    11  0.32  molprobity     1  True   
461  461  tttt     -108.4   124.7  Favored    13     9  0.28    11  0.24  molprobity     1  True   
462  462  p90      -151.7   172.2  Favored     9    12  0.33    16  0.35  molprobity     1  True   
463  463  m-80      -60.0   117.8  Favored     6     8  0.25    11  0.30  molprobity     1  True   
464  464  OUTLIER   -70.6   -22.5  Favored     8     9  0.22    12  0.44  molprobity     1  True   
465  465  m         -82.6   -44.3  Favored     9     7  0.18    10  0.51  molprobity     1  True   
466  466  ?         -92.4   -62.6  Allowed     3     4  0.23     5  0.28  molprobity     1  True   
467  467  m120      -65.4   -51.2  Favored     6     8  0.24    11  0.29  molprobity     1  True   
468  468  tp        -60.4   -31.9  Favored    11     8  0.14    11  0.19  molprobity     1  True   
469  469  tttt      -60.0   -50.7  Favored    13     9  0.23    11  0.25  molprobity     1  True   
470  470  ?         -72.4   -36.9  Favored     5     5  0.21     7  0.50  molprobity     1  True   
471  471  t60       -57.9   -45.9  Favored     7    11  0.32    15  0.41  molprobity     1  True   
472  472  mt        -70.7   -34.4  Favored    11     8  0.22    11  0.30  molprobity     1  True   
473  473  tttt      -63.5   -32.6  Favored    13     9  0.19    11  0.47  molprobity     1  True   
474  474  mm        -70.7   -30.7  Favored    11     8  0.30    11  0.40  molprobity     1  True   
475  475  m-70      -82.9   -35.6  Favored     7    11  0.32    15  0.23  molprobity     1  True   
476  476  pt        -78.2   -49.9  Favored    11     8  0.24    11  0.37  molprobity     1  True   
477  477  ?        -100.7   117.7  Favored     5     5  0.42     7  0.43  molprobity     1  True   
478  478  t70       -91.6   123.4  Favored     4     8  0.27    11  0.35  molprobity     1  True   
479  479  ?             ?       ?  ?           3     3  0.72     2  1.02  molprobity     ?  False  
480  480  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
481  481  mttm          ?       ?  ?          12     9  0.41    11  0.47  molprobity     ?  False  
482  482  mt-10      61.1   -88.8  OUTLIER     6     9  0.28    12  0.32  molprobity     ?  False  
483  483  p-80     -124.1   107.4  Favored     7    11  0.31    15  0.47  molprobity     ?  False  
484  484  mttt     -148.2   166.0  Favored    13     9  0.29    11  0.37  molprobity     ?  False  
485  485  m        -100.5    98.4  Favored     4     6  0.24     9  0.58  molprobity     1  True   
486  486  Cg_endo   -85.3    -7.8  Favored     7     8  0.24    11  0.35  molprobity     1  True   
487  487  m80      -100.7   -16.4  Favored     7    11  0.20    15  0.28  molprobity     1  True   
488  488  m        -107.0   139.4  Favored     4     6  0.29     8  0.29  molprobity     1  True   
489  489  p-10     -110.2     1.8  Favored     4     8  0.15    11  0.31  molprobity     1  True   
490  490  mtpm?     -75.0   117.4  Favored    13     9  0.34    11  0.31  molprobity     1  True   
491  491  ttpt     -113.1   127.2  Favored    13     9  0.29    11  0.37  molprobity     1  True   
492  492  OUTLIER  -142.5  -154.9  Allowed     9    12  1.03    16  0.43  molprobity     1  True   
493  493  t-20      -58.6   115.5  Favored     6     8  0.26    11  0.32  molprobity     1  True   
494  494  mt-30     -87.2   -26.4  Favored     8     9  0.28    12  0.32  molprobity     1  True   
495  495  p         -83.8   -52.4  Favored     9     7  0.20    10  0.34  molprobity     1  True   
496  496  ?         -91.7   -59.0  Allowed     3     4  0.25     5  0.20  molprobity     1  True   
497  497  t-20      -67.6   -42.0  Favored     6     8  0.31    11  0.20  molprobity     1  True   
498  498  tp        -65.3   -26.8  Favored    11     8  0.21    11  0.19  molprobity     1  True   
499  499  tttp      -61.3   -45.0  Favored    13     9  0.26    11  0.26  molprobity     1  True   
500  500  ?         -72.4   -29.6  Favored     5     5  0.27     7  0.52  molprobity     1  True   
501  501  t60       -64.9   -45.0  Favored     7    11  0.31    15  0.41  molprobity     1  True   
502  502  mt        -66.2   -30.6  Favored    11     8  0.25    11  0.36  molprobity     1  True   
503  503  tttt      -62.5   -44.7  Favored    13     9  0.21    11  0.25  molprobity     1  True   
504  504  tp        -74.8   -15.1  Favored    11     8  0.21    11  0.34  molprobity     1  True   
505  505  m-70      -77.5   -36.0  Favored     7    11  0.32    15  0.24  molprobity     1  True   
506  506  pt        -89.4   -19.3  Favored    11     8  0.19    11  0.44  molprobity     1  True   
507  507  ?         -93.6   154.2  Favored     5     5  0.23     7  0.22  molprobity     1  True   
508  508  p-10      -87.6   143.7  Favored     4     8  0.16    11  0.41  molprobity     1  True   
509  509  ?             ?       ?  ?           3     3  0.66     2  0.87  molprobity     ?  False  
510  510  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
511  511  mtmm          ?       ?  ?          12     9  0.43    11  0.35  molprobity     ?  False  
512  512  tt0       -71.9   138.7  Favored     6     9  0.29    12  0.40  molprobity     ?  False  
513  513  m80      -112.8   127.9  Favored     7    11  0.17    15  0.29  molprobity     ?  False  
514  514  mttp     -150.5   163.8  Favored    13     9  0.21    11  0.46  molprobity     ?  False  
515  515  m         -92.7   114.8  Favored     4     6  0.20     9  0.76  molprobity     1  True   
516  516  Cg_exo    -58.2   -41.9  Favored     7     8  0.23    11  0.40  molprobity     1  True   
517  517  p-80     -100.7    -8.8  Favored     7    11  0.34    15  0.48  molprobity     1  True   
518  518  m         -94.7   119.6  Favored     4     6  0.24     8  0.30  molprobity     1  True   
519  519  OUTLIER   -88.6    19.3  Favored     4     8  0.23    11  0.40  molprobity     1  True   
520  520  mmtp      -96.7   120.2  Favored    13     9  0.33    11  0.31  molprobity     1  True   
521  521  tttm     -109.8   109.2  Favored    13     9  0.31    11  0.33  molprobity     1  True   
522  522  m-85     -101.8  -173.8  Favored     9    12  0.35    16  0.33  molprobity     1  True   
523  523  m120      -61.4   109.8  Allowed     6     8  0.30    11  0.35  molprobity     1  True   
524  524  pm0       -74.4     6.0  Favored     8     9  0.29    12  0.35  molprobity     1  True   
525  525  t         -90.2   -72.2  Allowed     9     7  0.17    10  0.40  molprobity     1  True   
526  526  ?         -93.0   -52.6  Favored     3     4  0.21     5  0.35  molprobity     1  True   
527  527  m120      -54.9   -45.5  Favored     6     8  0.25    11  0.24  molprobity     1  True   
528  528  tp        -61.1   -36.6  Favored    11     8  0.23    11  0.18  molprobity     1  True   
529  529  mmmm      -70.2   -38.1  Favored    13     9  0.27    11  0.19  molprobity     1  True   
530  530  ?         -67.7   -37.6  Favored     5     5  0.21     7  0.58  molprobity     1  True   
531  531  t60       -62.6   -41.6  Favored     7    11  0.36    15  0.39  molprobity     1  True   
532  532  mt        -71.7   -27.7  Favored    11     8  0.25    11  0.24  molprobity     1  True   
533  533  tttt      -77.2   -35.9  Favored    13     9  0.21    11  0.15  molprobity     1  True   
534  534  pt        -76.5   -12.6  Favored    11     8  0.15    11  0.45  molprobity     1  True   
535  535  m-70      -76.3   -48.6  Favored     7    11  0.29    15  0.31  molprobity     1  True   
536  536  pt        -74.0   -50.3  Favored    11     8  0.25    11  0.33  molprobity     1  True   
537  537  ?        -102.3   119.3  Favored     5     5  0.27     7  0.26  molprobity     1  True   
538  538  m-20      -82.6   108.8  Favored     4     8  0.19    11  0.34  molprobity     1  True   
539  539  ?             ?       ?  ?           3     3  0.69     2  0.77  molprobity     ?  False  
540  540  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
541  541  mtmt          ?       ?  ?          12     9  0.41    11  0.24  molprobity     ?  False  
542  542  mt-10     -87.5   -76.6  Allowed     6     9  0.35    12  0.39  molprobity     ?  False  
543  543  p80      -147.6    95.5  Favored     7    11  0.34    15  0.41  molprobity     ?  False  
544  544  mttt     -117.4   161.7  Favored    13     9  0.33    11  0.36  molprobity     ?  False  
545  545  p         -67.5   176.6  Allowed     4     6  0.39     9  0.43  molprobity     1  True   
546  546  Cg_endo   -55.6  -175.1  OUTLIER     7     8  0.37    11  0.41  molprobity     1  True   
547  547  m80       -69.3   -41.4  Favored     7    11  0.21    15  0.31  molprobity     1  True   
548  548  m          64.1   118.5  OUTLIER     4     6  0.29     8  0.51  molprobity     1  True   
549  549  m-20      -61.4   -36.7  Favored     4     8  0.17    11  0.56  molprobity     1  True   
550  550  mttm      -77.5    99.5  Favored    13     9  0.36    11  0.38  molprobity     1  True   
551  551  mttm     -117.0   126.8  Favored    13     9  0.32    11  0.21  molprobity     1  True   
552  552  m-85     -126.2  -167.2  Allowed     9    12  0.73    16  0.35  molprobity     1  True   
553  553  m-80      -53.1   127.9  Favored     6     8  0.25    11  0.27  molprobity     1  True   
554  554  mm100     -79.6    -4.8  Favored     8     9  0.27    12  0.31  molprobity     1  True   
555  555  t         -90.5   -71.4  Allowed     9     7  0.15    10  0.45  molprobity     1  True   
556  556  ?         -90.5   -45.1  Favored     3     4  0.32     5  0.19  molprobity     1  True   
557  557  m-20      -70.5   -33.8  Favored     6     8  0.25    11  0.26  molprobity     1  True   
558  558  tp        -62.3   -38.3  Favored    11     8  0.17    11  0.36  molprobity     1  True   
559  559  tttp      -58.4   -47.7  Favored    13     9  0.18    11  0.33  molprobity     1  True   
560  560  ?         -69.0   -31.5  Favored     5     5  0.21     7  0.30  molprobity     1  True   
561  561  t60       -64.3   -44.1  Favored     7    11  0.38    15  0.27  molprobity     1  True   
562  562  mm?       -67.3   -31.7  Favored    11     8  0.28    11  0.26  molprobity     1  True   
563  563  mmtp      -68.4   -33.7  Favored    13     9  0.21    11  0.20  molprobity     1  True   
564  564  tp        -76.4   -17.4  Favored    11     8  0.24    11  0.45  molprobity     1  True   
565  565  m-70      -79.6   -27.2  Favored     7    11  0.33    15  0.34  molprobity     1  True   
566  566  mt        -85.9   -37.8  Favored    11     8  0.27    11  0.48  molprobity     1  True   
567  567  ?         -85.1   170.4  Favored     5     5  0.33     7  0.30  molprobity     1  True   
568  568  t70      -109.7   127.7  Favored     4     8  0.23    11  0.47  molprobity     1  True   
569  569  ?             ?       ?  ?           3     3  0.71     2  0.85  molprobity     ?  False  
570  570  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
571  571  mmmt          ?       ?  ?          12     9  0.43    11  0.34  molprobity     ?  False  
572  572  tp10     -137.0   -71.0  Allowed     6     9  0.26    12  0.33  molprobity     ?  False  
573  573  p-80      -88.4   104.3  Favored     7    11  0.29    15  0.56  molprobity     ?  False  
574  574  ttpt     -151.6   146.4  Favored    13     9  0.32    11  0.36  molprobity     ?  False  
575  575  m         -77.5   120.9  Favored     4     6  0.41     9  0.74  molprobity     1  True   
576  576  Cg_exo    -56.3   -44.3  Favored     7     8  0.14    11  0.38  molprobity     1  True   
577  577  p80       -97.0   -33.7  Favored     7    11  0.31    15  0.47  molprobity     1  True   
578  578  m         -68.9   127.6  Favored     4     6  0.29     8  0.53  molprobity     1  True   
579  579  m-20      -99.8   -12.0  Favored     4     8  0.28    11  0.47  molprobity     1  True   
580  580  ptpt      -74.0   111.0  Favored    13     9  0.34    11  0.24  molprobity     1  True   
581  581  pttt     -123.5   138.1  Favored    13     9  0.30    11  0.41  molprobity     1  True   
582  582  p90      -151.4  -150.1  Allowed     9    12  0.37    16  0.33  molprobity     1  True   
583  583  p30       -47.9   119.1  Favored     6     8  0.38    11  0.48  molprobity     1  True   
584  584  pt20     -100.4     5.5  Favored     8     9  0.24    12  0.34  molprobity     1  True   
585  585  t         -90.6   -67.0  Allowed     9     7  0.13    10  0.40  molprobity     1  True   
586  586  ?         -90.9   -60.1  Allowed     3     4  0.38     5  0.23  molprobity     1  True   
587  587  t-20      -64.4   -38.7  Favored     6     8  0.30    11  0.41  molprobity     1  True   
588  588  tp        -62.1   -30.4  Favored    11     8  0.24    11  0.24  molprobity     1  True   
589  589  mttm      -63.6   -47.1  Favored    13     9  0.22    11  0.37  molprobity     1  True   
590  590  ?         -70.5   -32.8  Favored     5     5  0.25     7  0.51  molprobity     1  True   
591  591  t60       -58.4   -56.1  Favored     7    11  0.34    15  0.53  molprobity     1  True   
592  592  mt        -65.2   -31.6  Favored    11     8  0.22    11  0.41  molprobity     1  True   
593  593  tttt      -63.5   -46.5  Favored    13     9  0.21    11  0.20  molprobity     1  True   
594  594  pt        -70.6   -22.6  Favored    11     8  0.17    11  0.41  molprobity     1  True   
595  595  m-70      -77.1   -30.5  Favored     7    11  0.28    15  0.27  molprobity     1  True   
596  596  pt        -95.5    -0.0  Favored    11     8  0.24    11  0.47  molprobity     1  True   
597  597  ?         -83.0   152.1  Favored     5     5  0.38     7  0.34  molprobity     1  True   
598  598  p-10      -76.7   144.0  Favored     4     8  0.20    11  0.35  molprobity     1  True   
599  599  ?             ?       ?  ?           3     3  0.88     2  0.99  molprobity     ?  False  
600  600  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  True   
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
  1   16  HA2    1  0.71  1.60  
  2   19  HE2    1  0.71  1.60  
  3   24  HA     2  0.44  2.13  
  4   27  O      2  0.44  2.13  
  5   33  HB3    3  0.50  1.84  
  6   34  HA     4  0.45  1.89  
  7   35  HB3    5  0.76  1.55  
  8   35  H      6  0.52  1.64  
  9   35  CB     7  0.45  2.35  
 10   38  HB3    5  0.76  1.55  
 11   38  HB3    7  0.45  2.35  
 12   41  HD3    6  0.52  1.64  
 13   41  HD3    4  0.45  1.89  
 14   42  H      8  0.44  1.72  
 15   48  HD23   3  0.50  1.84  
 16   48  O      9  0.46  2.09  
 17   48  HD13   8  0.44  1.72  
 18   52  HG     9  0.46  2.09  
 19   94  HG2   10  0.41  2.30  
 20   95  N     10  0.41  2.30  
 21  102  HB2   11  0.80  1.52  
 22  107  HA    11  0.80  1.52  
 23  107  O     12  0.52  2.04  
 24  111  HB2   12  0.52  2.04  
 25  130  HB2   13  0.40  2.52  
 26  132  HB3   14  0.50  1.67  
 27  132  CZ    13  0.40  2.52  
 28  135  HG23  15  0.44  1.72  
 29  136  O     16  0.50  2.06  
 30  136  H     15  0.44  1.72  
 31  137  HD22  14  0.50  1.67  
 32  139  HG2   16  0.50  2.06  
 33  164  HA    17  0.42  1.91  
 34  168  HB2   17  0.42  1.91  
 35  194  OE1   18  0.44  2.13  
 36  198  HD13  18  0.44  2.13  
 37  218  HB3   19  0.46  1.87  
 38  220  HE2   19  0.46  1.87  
 39  227  O     20  0.44  2.12  
 40  231  HB2   20  0.44  2.12  
 41  252  HB2   21  0.50  1.84  
 42  257  O     22  0.62  1.95  
 43  257  HA    21  0.50  1.84  
 44  261  HB2   22  0.62  1.95  
 45  275  HB2   23  0.48  1.85  
 46  278  HB3   23  0.48  1.85  
 47  304  O     24  0.41  2.15  
 48  305  HB3   25  0.45  2.10  
 49  306  HD3   24  0.41  2.15  
 50  308  O     25  0.45  2.10  
 51  312  HB3   26  0.43  1.91  
 52  315  O     27  0.43  2.13  
 53  317  HB3   26  0.43  1.91  
 54  319  HG2   27  0.43  2.13  
 55  322  O     28  0.42  2.14  
 56  325  HB2   28  0.42  2.14  
 57  335  HB2   29  0.52  1.80  
 58  336  HD2   29  0.52  1.80  
 59  342  HB3   30  0.54  2.32  
 60  342  HB3   31  0.42  1.90  
 61  342  HD2   32  0.51  1.49  
 62  344  HA    33  0.59  1.74  
 63  344  HA    34  0.57  2.28  
 64  347  CB    30  0.54  2.32  
 65  347  HB2   31  0.42  1.90  
 66  348  HB2   33  0.59  1.74  
 67  348  CB    34  0.57  2.28  
 68  351  HD1   32  0.51  1.49  
 69  365  HB3   35  0.46  1.88  
 70  368  HB2   35  0.46  1.88  
 71  374  HA    36  0.79  1.54  
 72  374  HA    37  0.57  2.27  
 73  375  O     38  0.43  2.13  
 74  378  HB3   36  0.79  1.54  
 75  378  CB    37  0.57  2.27  
 76  378  O     39  0.47  2.10  
 77  379  HD3   38  0.43  2.13  
 78  382  HG    39  0.47  2.10  
 79  395  HB3   40  0.50  1.83  
 80  398  HB2   40  0.50  1.83  
 81  428  HB2   41  0.43  2.49  
 82  432  HB2   42  0.58  1.74  
 83  437  HA    42  0.58  1.74  
 84  441  CE1   41  0.43  2.49  
 85  494  O     43  0.42  2.15  
 86  496  O     44  0.43  2.14  
 87  498  HB3   43  0.42  2.15  
 88  498  O     45  0.41  2.16  
 89  499  HB3   44  0.43  2.14  
 90  501  O     46  0.40  2.17  
 91  502  HG    45  0.41  2.16  
 92  504  HG22  46  0.40  2.17  
 93  520  HB3   47  0.41  2.51  
 94  522  CE1   47  0.41  2.51  
 95  524  HA    48  0.51  1.82  
 96  528  HB2   48  0.51  1.82  
 97  545  HB2   49  0.63  1.71  
 98  546  HD2   49  0.63  1.71  
 99  561  O     50  0.53  2.03  
100  564  HG22  50  0.53  2.03  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1  ?     
 2  1  ?     
 3  2  ?     
 4  2  True  
 5  1  ?     
 6  1  ?     
 7  1  ?     
 8  2  ?     
 9  2  ?     
10  1  ?     
11  1  ?     
12  1  ?     
13  1  ?     
14  1  ?     
15  2  ?     
16  1  ?     
17  1  ?     
18  1  True  
19  1  ?     
20  1  ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  24
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                1.070
_pdbx_vrpt_cyrange_domain.medoid_model        18
_pdbx_vrpt_cyrange_domain.medoid_rmsd         1.185
_pdbx_vrpt_cyrange_domain.residue_string      A:34-A:57
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           5
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        assigned_chem_shift_list
_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    916
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           270
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           1186
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            1186
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_unmapped_chemical_shift.ordinal
_pdbx_vrpt_unmapped_chemical_shift.auth_asym_id
_pdbx_vrpt_unmapped_chemical_shift.rescode
_pdbx_vrpt_unmapped_chemical_shift.auth_seq_id
_pdbx_vrpt_unmapped_chemical_shift.label_atom_id
_pdbx_vrpt_unmapped_chemical_shift.value
_pdbx_vrpt_unmapped_chemical_shift.error
_pdbx_vrpt_unmapped_chemical_shift.ambiguity
_pdbx_vrpt_unmapped_chemical_shift.diagnostic
  1  A  LEU  103  H       6.789  0.009  1  "No matching atoms found in structure"  
  2  A  LEU  103  N     118.329  0.033  1  "No matching atoms found in structure"  
  3  A  LEU  103  CA     57.588  0.064  1  "No matching atoms found in structure"  
  4  A  LEU  103  CB     40.519  0.066  1  "No matching atoms found in structure"  
  5  A  ALA  102  H       8.019  0.005  1  "No matching atoms found in structure"  
  6  A  ALA  102  N     125.555  0.035  1  "No matching atoms found in structure"  
  7  A  ALA  102  CA     54.496  0.046  1  "No matching atoms found in structure"  
  8  A  ALA  102  CB     18.812  0.071  1  "No matching atoms found in structure"  
  9  A  GLY  101  H       8.262   0.01  1  "No matching atoms found in structure"  
 10  A  GLY  101  N     110.226  0.057  1  "No matching atoms found in structure"  
 11  A  GLY  101  CA     46.678  0.054  1  "No matching atoms found in structure"  
 12  A  PRO  100  CA     64.030  0.075  1  "No matching atoms found in structure"  
 13  A  PRO  100  CB     31.142  0.071  1  "No matching atoms found in structure"  
 14  A  ASP   99  H       7.323  0.006  1  "No matching atoms found in structure"  
 15  A  ASP   99  N     114.064  0.051  1  "No matching atoms found in structure"  
 16  A  ASP   99  CA     51.162  0.064  1  "No matching atoms found in structure"  
 17  A  ASP   99  CB     42.663  0.035  1  "No matching atoms found in structure"  
 18  A  ALA   98  H       9.019   0.01  1  "No matching atoms found in structure"  
 19  A  ALA   98  N     121.599  0.032  1  "No matching atoms found in structure"  
 20  A  ALA   98  CA     53.297  0.015  1  "No matching atoms found in structure"  
 21  A  ALA   98  CB     19.970  0.057  1  "No matching atoms found in structure"  
 22  A  PHE   97  H       8.875  0.008  1  "No matching atoms found in structure"  
 23  A  PHE   97  N     118.706  0.052  1  "No matching atoms found in structure"  
 24  A  PHE   97  CA     57.285  0.011  1  "No matching atoms found in structure"  
 25  A  PHE   97  CB     43.463  0.069  1  "No matching atoms found in structure"  
 26  A  ASN   74  H       7.740  0.006  1  "No matching atoms found in structure"  
 27  A  ASN   74  N     120.577  0.015  1  "No matching atoms found in structure"  
 28  A  ASN   74  CA     55.210  0.021  1  "No matching atoms found in structure"  
 29  A  ASN   74  CB     37.623  0.079  1  "No matching atoms found in structure"  
 30  A  LEU   75  H       7.343  0.009  1  "No matching atoms found in structure"  
 31  A  LEU   75  N     123.304  0.046  1  "No matching atoms found in structure"  
 32  A  LEU   75  CA     57.968  0.078  1  "No matching atoms found in structure"  
 33  A  LEU   75  CB     40.520  0.079  1  "No matching atoms found in structure"  
 34  A  LYS   76  H       8.254   0.01  1  "No matching atoms found in structure"  
 35  A  LYS   76  N     118.414   0.03  1  "No matching atoms found in structure"  
 36  A  LYS   76  CA     60.272  0.053  1  "No matching atoms found in structure"  
 37  A  ASP   15  H       7.443  0.007  1  "No matching atoms found in structure"  
 38  A  ASP   15  N     117.860  0.028  1  "No matching atoms found in structure"  
 39  A  ASP   15  CA     51.697  0.049  1  "No matching atoms found in structure"  
 40  A  ASP   15  CB     42.344  0.075  1  "No matching atoms found in structure"  
 41  A  PHE   13  H       8.392   0.01  1  "No matching atoms found in structure"  
 42  A  PHE   13  N     118.534   0.06  1  "No matching atoms found in structure"  
 43  A  PHE   13  CA     57.369   0.03  1  "No matching atoms found in structure"  
 44  A  PHE   13  CB     43.443  0.065  1  "No matching atoms found in structure"  
 45  A  SER   14  H       9.090  0.003  1  "No matching atoms found in structure"  
 46  A  SER   14  N     114.545  0.046  1  "No matching atoms found in structure"  
 47  A  SER   14  CA     59.545  0.061  1  "No matching atoms found in structure"  
 48  A  SER   14  CB     64.037  0.072  1  "No matching atoms found in structure"  
 49  A  SER   12  H       7.890  0.011  1  "No matching atoms found in structure"  
 50  A  SER   12  N     115.605  0.048  1  "No matching atoms found in structure"  
 51  A  SER   12  CA     57.311  0.033  1  "No matching atoms found in structure"  
 52  A  SER   12  CB     65.516  0.068  1  "No matching atoms found in structure"  
 53  A  ARG   11  H       7.928  0.008  1  "No matching atoms found in structure"  
 54  A  ARG   11  N     122.427  0.035  1  "No matching atoms found in structure"  
 55  A  ARG   11  CA     57.602  0.011  1  "No matching atoms found in structure"  
 56  A  GLY   10  H       7.985  0.013  1  "No matching atoms found in structure"  
 57  A  GLY   10  N     111.402   0.04  1  "No matching atoms found in structure"  
 58  A  GLN    5  H       8.544  0.008  1  "No matching atoms found in structure"  
 59  A  GLN    5  N     123.036   0.04  1  "No matching atoms found in structure"  
 60  A  GLN    5  CA     54.558  0.078  1  "No matching atoms found in structure"  
 61  A  GLN    5  CB     31.592  0.062  1  "No matching atoms found in structure"  
 62  A  TYR    4  H       7.959  0.008  1  "No matching atoms found in structure"  
 63  A  TYR    4  N     117.838  0.034  1  "No matching atoms found in structure"  
 64  A  TYR    4  CA     56.770  0.044  1  "No matching atoms found in structure"  
 65  A  TYR    4  CB     38.430  0.058  1  "No matching atoms found in structure"  
 66  A  PRO    3  CB     31.877  0.043  1  "No matching atoms found in structure"  
 67  A  PRO    3  CA     63.415  0.077  1  "No matching atoms found in structure"  
 68  A  LYS   76  CB     31.908  0.072  1  "No matching atoms found in structure"  
 69  A  ARG   77  H       7.452  0.009  1  "No matching atoms found in structure"  
 70  A  ARG   77  N     117.219  0.057  1  "No matching atoms found in structure"  
 71  A  ARG   77  CA     59.234  0.037  1  "No matching atoms found in structure"  
 72  A  ARG   77  CB     30.442   0.07  1  "No matching atoms found in structure"  
 73  A  HIS   78  H       7.306  0.012  1  "No matching atoms found in structure"  
 74  A  HIS   78  CA     59.113  0.075  1  "No matching atoms found in structure"  
 75  A  HIS   78  CB     28.286  0.065  1  "No matching atoms found in structure"  
 76  A  SER   83  H       7.586  0.007  1  "No matching atoms found in structure"  
 77  A  SER   83  N     114.372  0.051  1  "No matching atoms found in structure"  
 78  A  SER   83  CA     59.132  0.053  1  "No matching atoms found in structure"  
 79  A  SER   83  CB     63.674  0.037  1  "No matching atoms found in structure"  
 80  A  GLY   84  H       8.061  0.005  1  "No matching atoms found in structure"  
 81  A  GLY   84  N     110.203  0.018  1  "No matching atoms found in structure"  
 82  A  GLY   84  CA     45.361   0.07  1  "No matching atoms found in structure"  
 83  A  GLU   85  H       7.881   0.01  1  "No matching atoms found in structure"  
 84  A  GLU   85  N     119.951   0.02  1  "No matching atoms found in structure"  
 85  A  GLU   85  CA     56.641  0.071  1  "No matching atoms found in structure"  
 86  A  GLU   85  CB     30.408  0.042  1  "No matching atoms found in structure"  
 87  A  LYS   86  H       8.079  0.009  1  "No matching atoms found in structure"  
 88  A  LYS   86  N     121.528  0.041  1  "No matching atoms found in structure"  
 89  A  LYS   86  CB     33.098  0.008  1  "No matching atoms found in structure"  
 90  A  LYS   86  CA     53.803  0.006  1  "No matching atoms found in structure"  
 91  A  GLY  112  H       7.878  0.009  1  "No matching atoms found in structure"  
 92  A  GLY  112  N     117.415   0.04  1  "No matching atoms found in structure"  
 93  A  THR  111  H       7.528  0.012  1  "No matching atoms found in structure"  
 94  A  THR  111  N     109.948  0.055  1  "No matching atoms found in structure"  
 95  A  THR  111  CA     62.068  0.059  1  "No matching atoms found in structure"  
 96  A  THR  111  CB     69.863  0.068  1  "No matching atoms found in structure"  
 97  A  THR   17  H       7.858  0.007  1  "No matching atoms found in structure"  
 98  A  THR   17  N     117.621  0.047  1  "No matching atoms found in structure"  
 99  A  THR   17  CA     66.554  0.065  1  "No matching atoms found in structure"  
100  A  THR   17  CB     67.664  0.057  1  "No matching atoms found in structure"  
101  A  PRO   16  CA     64.377  0.038  1  "No matching atoms found in structure"  
102  A  PRO   16  CB     31.568   0.07  1  "No matching atoms found in structure"  
103  A  ARG  108  H       6.735  0.008  1  "No matching atoms found in structure"  
104  A  ARG  108  N     117.784  0.052  1  "No matching atoms found in structure"  
105  A  ARG  108  CA     57.871  0.067  1  "No matching atoms found in structure"  
106  A  ARG  108  CB     29.759  0.041  1  "No matching atoms found in structure"  
107  A  VAL  107  H       8.352  0.008  1  "No matching atoms found in structure"  
108  A  VAL  107  N     114.907  0.041  1  "No matching atoms found in structure"  
109  A  VAL  107  CA     66.042  0.036  1  "No matching atoms found in structure"  
110  A  VAL  107  CB     31.888   0.07  1  "No matching atoms found in structure"  
111  A  ILE   91  H       8.687  0.007  1  "No matching atoms found in structure"  
112  A  ILE   91  N     128.330  0.035  1  "No matching atoms found in structure"  
113  A  ILE   91  CA     62.872  0.064  1  "No matching atoms found in structure"  
114  A  ILE   91  CB     37.599  0.048  1  "No matching atoms found in structure"  
115  A  CYS   90  H       8.869  0.009  1  "No matching atoms found in structure"  
116  A  CYS   90  N     128.789   0.03  1  "No matching atoms found in structure"  
117  A  CYS   90  CA     59.226  0.065  1  "No matching atoms found in structure"  
118  A  CYS   90  CB     29.983  0.071  1  "No matching atoms found in structure"  
119  A  VAL   89  H       8.195  0.007  1  "No matching atoms found in structure"  
120  A  VAL   89  N     123.957  0.037  1  "No matching atoms found in structure"  
121  A  VAL   89  CA     60.879  0.054  1  "No matching atoms found in structure"  
122  A  VAL   89  CB     34.764  0.029  1  "No matching atoms found in structure"  
123  A  TYR   88  H       7.917  0.006  1  "No matching atoms found in structure"  
124  A  TYR   88  N     119.446  0.054  1  "No matching atoms found in structure"  
125  A  TYR   88  CA     57.597  0.042  1  "No matching atoms found in structure"  
126  A  TYR   88  CB     37.762  0.058  1  "No matching atoms found in structure"  
127  A  PRO   87  CB     31.922  0.036  1  "No matching atoms found in structure"  
128  A  PRO   87  CA     63.071  0.068  1  "No matching atoms found in structure"  
129  A  SER   72  H       9.243  0.007  1  "No matching atoms found in structure"  
130  A  SER   72  N     119.177  0.031  1  "No matching atoms found in structure"  
131  A  SER   72  CA     61.112  0.052  1  "No matching atoms found in structure"  
132  A  SER   72  CB     62.316   0.04  1  "No matching atoms found in structure"  
133  A  THR   71  H       7.150  0.011  1  "No matching atoms found in structure"  
134  A  THR   71  N     108.345  0.042  1  "No matching atoms found in structure"  
135  A  THR   71  CA     58.874  0.024  1  "No matching atoms found in structure"  
136  A  THR   71  CB     72.806  0.031  1  "No matching atoms found in structure"  
137  A  HIS  106  H       7.363   0.01  1  "No matching atoms found in structure"  
138  A  HIS  106  CA     59.059  0.077  1  "No matching atoms found in structure"  
139  A  HIS  106  CB     28.524  0.075  1  "No matching atoms found in structure"  
140  A  ARG  105  H       7.707  0.005  1  "No matching atoms found in structure"  
141  A  ARG  105  N     116.516   0.04  1  "No matching atoms found in structure"  
142  A  ARG  105  CA     58.968  0.054  1  "No matching atoms found in structure"  
143  A  ARG  105  CB     30.210  0.055  1  "No matching atoms found in structure"  
144  A  GLN  104  H       7.861  0.009  1  "No matching atoms found in structure"  
145  A  GLN  104  N     118.337  0.053  1  "No matching atoms found in structure"  
146  A  GLN  104  CA     58.869  0.057  1  "No matching atoms found in structure"  
147  A  GLN  104  CB     27.988  0.053  1  "No matching atoms found in structure"  
148  A  HIS   22  CA     58.912  0.066  1  "No matching atoms found in structure"  
149  A  HIS   22  CB     27.921  0.078  1  "No matching atoms found in structure"  
150  A  CYS   93  H       7.958  0.013  1  "No matching atoms found in structure"  
151  A  CYS   93  N     115.876  0.021  1  "No matching atoms found in structure"  
152  A  CYS   93  CA     58.432  0.033  1  "No matching atoms found in structure"  
153  A  CYS   93  CB     32.158  0.072  1  "No matching atoms found in structure"  
154  A  GLN   94  H       8.178  0.011  1  "No matching atoms found in structure"  
155  A  GLN   94  N     116.348  0.034  1  "No matching atoms found in structure"  
156  A  GLN   94  CB     25.429  0.055  1  "No matching atoms found in structure"  
157  A  GLN   94  CA     58.288  0.073  1  "No matching atoms found in structure"  
158  A  ARG   95  H       7.856  0.011  1  "No matching atoms found in structure"  
159  A  ARG   95  N     121.105  0.053  1  "No matching atoms found in structure"  
160  A  ARG   95  CA     57.979  0.031  1  "No matching atoms found in structure"  
161  A  ARG   95  CB     31.403  0.038  1  "No matching atoms found in structure"  
162  A  GLN   96  H       7.833  0.007  1  "No matching atoms found in structure"  
163  A  GLN   96  N     119.070  0.045  1  "No matching atoms found in structure"  
164  A  GLN   96  CB     31.188  0.035  1  "No matching atoms found in structure"  
165  A  GLN   96  CA     54.273  0.056  1  "No matching atoms found in structure"  
166  A  CYS    9  H       8.105  0.009  1  "No matching atoms found in structure"  
167  A  CYS    9  N     115.815  0.047  1  "No matching atoms found in structure"  
168  A  CYS    9  CA     58.310  0.043  1  "No matching atoms found in structure"  
169  A  CYS    9  CB     32.273  0.036  1  "No matching atoms found in structure"  
170  A  TYR    8  H       8.935  0.011  1  "No matching atoms found in structure"  
171  A  TYR    8  N     119.023  0.036  1  "No matching atoms found in structure"  
172  A  TYR    8  CA     59.546  0.038  1  "No matching atoms found in structure"  
173  A  TYR    8  CB     38.060  0.079  1  "No matching atoms found in structure"  
174  A  ASP    7  H       8.738  0.014  1  "No matching atoms found in structure"  
175  A  ASP    7  N     129.841   0.02  1  "No matching atoms found in structure"  
176  A  ASP    7  CA     56.350  0.063  1  "No matching atoms found in structure"  
177  A  ASP    7  CB     40.743  0.079  1  "No matching atoms found in structure"  
178  A  CYS    6  H       9.125  0.011  1  "No matching atoms found in structure"  
179  A  CYS    6  N     125.821  0.031  1  "No matching atoms found in structure"  
180  A  CYS    6  CB     30.278  0.048  1  "No matching atoms found in structure"  
181  A  CYS    6  CA     60.245  0.074  1  "No matching atoms found in structure"  
182  A  CYS   65  H       8.115  0.008  1  "No matching atoms found in structure"  
183  A  CYS   65  N     115.424  0.057  1  "No matching atoms found in structure"  
184  A  CYS   65  CA     58.223  0.037  1  "No matching atoms found in structure"  
185  A  CYS   65  CB     32.339  0.061  1  "No matching atoms found in structure"  
186  A  GLY   66  H       7.984  0.011  1  "No matching atoms found in structure"  
187  A  GLY   66  N     113.249  0.039  1  "No matching atoms found in structure"  
188  A  GLY   66  CA     46.164   0.06  1  "No matching atoms found in structure"  
189  A  LYS   67  H       7.700  0.009  1  "No matching atoms found in structure"  
190  A  LYS   67  N     122.126  0.044  1  "No matching atoms found in structure"  
191  A  LYS   67  CA     57.937  0.071  1  "No matching atoms found in structure"  
192  A  LYS   67  CB     33.563  0.059  1  "No matching atoms found in structure"  
193  A  GLN   68  H       7.911  0.005  1  "No matching atoms found in structure"  
194  A  GLN   68  N     120.787  0.059  1  "No matching atoms found in structure"  
195  A  GLN   68  CA     54.550  0.069  1  "No matching atoms found in structure"  
196  A  SER   18  H       8.654  0.006  1  "No matching atoms found in structure"  
197  A  SER   18  N     119.883  0.026  1  "No matching atoms found in structure"  
198  A  SER   18  CA     61.906  0.051  1  "No matching atoms found in structure"  
199  A  HIS  110  CA     55.290  0.016  1  "No matching atoms found in structure"  
200  A  HIS  110  CB     28.463  0.032  1  "No matching atoms found in structure"  
201  A  HIS   92  CA     57.915  0.038  1  "No matching atoms found in structure"  
202  A  HIS   92  CB     29.583  0.068  1  "No matching atoms found in structure"  
203  A  HIS   82  CA     55.064  0.047  1  "No matching atoms found in structure"  
204  A  HIS   82  CB     28.514  0.032  1  "No matching atoms found in structure"  
205  A  HIS   22  H       7.374  0.008  1  "No matching atoms found in structure"  
206  A  HIS   22  N     117.794  0.023  1  "No matching atoms found in structure"  
207  A  HIS   78  N     119.279  0.042  1  "No matching atoms found in structure"  
208  A  GLY   73  H       8.661  0.007  1  "No matching atoms found in structure"  
209  A  GLY   73  N     110.453  0.019  1  "No matching atoms found in structure"  
210  A  THR   70  CA     62.819  0.028  1  "No matching atoms found in structure"  
211  A  THR   70  CB     69.591  0.076  1  "No matching atoms found in structure"  
212  A  ARG   21  CB     30.101  0.061  1  "No matching atoms found in structure"  
213  A  ARG   21  CA     58.807  0.029  1  "No matching atoms found in structure"  
214  A  HIS   26  H       7.072  0.013  1  "No matching atoms found in structure"  
215  A  HIS   26  N     118.044   0.05  1  "No matching atoms found in structure"  
216  A  HIS   26  CB     28.642  0.039  1  "No matching atoms found in structure"  
217  A  HIS   26  CA     55.261      .  1  "No matching atoms found in structure"  
218  A  THR   25  CA     63.499  0.059  1  "No matching atoms found in structure"  
219  A  THR   25  CB     69.177  0.074  1  "No matching atoms found in structure"  
220  A  THR   25  H       7.557   0.01  1  "No matching atoms found in structure"  
221  A  THR   25  N     108.890   0.04  1  "No matching atoms found in structure"  
222  A  GLU   24  CA     58.329  0.058  1  "No matching atoms found in structure"  
223  A  GLU   24  CB     29.417  0.073  1  "No matching atoms found in structure"  
224  A  HIS  110  H       7.299  0.008  1  "No matching atoms found in structure"  
225  A  HIS  110  N     117.512  0.029  1  "No matching atoms found in structure"  
226  A  ILE  109  CB     37.442  0.052  1  "No matching atoms found in structure"  
227  A  ILE  109  CA     63.016  0.054  1  "No matching atoms found in structure"  
228  A  ILE  109  H       7.712   0.01  1  "No matching atoms found in structure"  
229  A  ILE  109  N     116.281  0.024  1  "No matching atoms found in structure"  
230  A  GLU   64  CA     57.835  0.022  1  "No matching atoms found in structure"  
231  A  GLU   64  CB     29.173  0.048  1  "No matching atoms found in structure"  
232  A  GLU   64  N     120.210  0.058  1  "No matching atoms found in structure"  
233  A  GLU   64  H       8.674  0.007  1  "No matching atoms found in structure"  
234  A  ARG   63  CA     58.135  0.061  1  "No matching atoms found in structure"  
235  A  ARG   63  CB     29.869  0.078  1  "No matching atoms found in structure"  
236  A  ARG   63  H       9.213  0.008  1  "No matching atoms found in structure"  
237  A  ARG   63  N     131.833  0.032  1  "No matching atoms found in structure"  
238  A  CYS   62  CA     59.489  0.046  1  "No matching atoms found in structure"  
239  A  CYS   62  CB     29.664  0.074  1  "No matching atoms found in structure"  
240  A  CYS   62  H       9.008  0.012  1  "No matching atoms found in structure"  
241  A  CYS   62  N     127.047   0.06  1  "No matching atoms found in structure"  
242  A  LYS   61  CA     54.322  0.054  1  "No matching atoms found in structure"  
243  A  LYS   61  CB     35.449  0.035  1  "No matching atoms found in structure"  
244  A  LYS   61  H       7.587   0.01  1  "No matching atoms found in structure"  
245  A  LYS   61  N     120.279  0.057  1  "No matching atoms found in structure"  
246  A  LEU   60  H       8.314  0.009  1  "No matching atoms found in structure"  
247  A  LEU   60  N     120.479  0.034  1  "No matching atoms found in structure"  
248  A  PRO   59  CA     63.480  0.064  1  "No matching atoms found in structure"  
249  A  PRO   59  CB     31.639      .  1  "No matching atoms found in structure"  
250  A  THR   70  H       9.023  0.005  1  "No matching atoms found in structure"  
251  A  THR   70  N     108.936  0.034  1  "No matching atoms found in structure"  
252  A  PHE   69  CA     57.347  0.051  1  "No matching atoms found in structure"  
253  A  PHE   69  CB     43.408  0.061  1  "No matching atoms found in structure"  
254  A  PHE   69  H       8.308   0.01  1  "No matching atoms found in structure"  
255  A  PHE   69  N     120.205  0.059  1  "No matching atoms found in structure"  
256  A  HIS   82  H       6.975  0.013  1  "No matching atoms found in structure"  
257  A  HIS   82  N     117.229  0.046  1  "No matching atoms found in structure"  
258  A  ILE   81  CB     37.270  0.061  1  "No matching atoms found in structure"  
259  A  ILE   81  CA     63.010  0.058  1  "No matching atoms found in structure"  
260  A  ILE   81  H       7.763  0.009  1  "No matching atoms found in structure"  
261  A  ILE   81  N     116.941  0.024  1  "No matching atoms found in structure"  
262  A  ARG   80  CA     58.327  0.054  1  "No matching atoms found in structure"  
263  A  ARG   80  CB     29.806  0.043  1  "No matching atoms found in structure"  
264  A  ARG   80  H       6.954  0.011  1  "No matching atoms found in structure"  
265  A  ARG   80  N     116.912  0.049  1  "No matching atoms found in structure"  
266  A  LEU   79  CB     41.703  0.061  1  "No matching atoms found in structure"  
267  A  LEU   79  CA     57.964  0.034  1  "No matching atoms found in structure"  
268  A  LYS   19  H       6.760  0.009  1  "No matching atoms found in structure"  
269  A  LYS   19  N     121.563  0.025  1  "No matching atoms found in structure"  
270  A  LYS   19  CA     59.487  0.059  1  "No matching atoms found in structure"  
271  A  LYS   19  CB     31.586  0.011  1  "No matching atoms found in structure"  
272  A  ARG   21  H       8.066   0.01  1  "No matching atoms found in structure"  
273  A  ARG   21  N     118.164  0.029  1  "No matching atoms found in structure"  
274  A  MET   20  CB     31.756  0.074  1  "No matching atoms found in structure"  
275  A  MET   20  CA     58.719  0.028  1  "No matching atoms found in structure"  
276  A  THR  111  C     174.740      .  1  "No matching atoms found in structure"  
277  A  HIS  110  C     175.597      .  1  "No matching atoms found in structure"  
278  A  ILE  109  C     176.877      .  1  "No matching atoms found in structure"  
279  A  ARG  108  C     178.341      .  1  "No matching atoms found in structure"  
280  A  VAL  107  C     176.810      .  1  "No matching atoms found in structure"  
281  A  HIS  106  C     176.619      .  1  "No matching atoms found in structure"  
282  A  ARG  105  C     178.351      .  1  "No matching atoms found in structure"  
283  A  GLN  104  C     178.340      .  1  "No matching atoms found in structure"  
284  A  LEU  103  C     176.809      .  1  "No matching atoms found in structure"  
285  A  ALA  102  C     180.540      .  1  "No matching atoms found in structure"  
286  A  GLY  101  C     175.852      .  1  "No matching atoms found in structure"  
287  A  PRO  100  C     178.935      .  1  "No matching atoms found in structure"  
288  A  ALA   98  C     176.342      .  1  "No matching atoms found in structure"  
289  A  PHE   97  C     174.888      .  1  "No matching atoms found in structure"  
290  A  GLN   96  C     174.982      .  1  "No matching atoms found in structure"  
291  A  ARG   95  C     174.113      .  1  "No matching atoms found in structure"  
292  A  GLN   94  C     174.707      .  1  "No matching atoms found in structure"  
293  A  CYS   93  C     174.973      .  1  "No matching atoms found in structure"  
294  A  HIS   92  C     176.698      .  1  "No matching atoms found in structure"  
295  A  CYS   90  C     177.110      .  1  "No matching atoms found in structure"  
296  A  VAL   89  C     175.019      .  1  "No matching atoms found in structure"  
297  A  TYR   88  C     174.419      .  1  "No matching atoms found in structure"  
298  A  PRO   87  C     176.103      .  1  "No matching atoms found in structure"  
299  A  GLU   85  C     176.197      .  1  "No matching atoms found in structure"  
300  A  GLY   84  C     174.031      .  1  "No matching atoms found in structure"  
301  A  SER   83  C     174.859      .  1  "No matching atoms found in structure"  
302  A  HIS   82  C     175.365      .  1  "No matching atoms found in structure"  
303  A  ILE   81  C     177.513      .  1  "No matching atoms found in structure"  
304  A  LEU   79  C     178.932      .  1  "No matching atoms found in structure"  
305  A  ARG   80  C     178.644      .  1  "No matching atoms found in structure"  
306  A  ARG   77  C     178.514      .  1  "No matching atoms found in structure"  
307  A  LYS   76  C     179.149      .  1  "No matching atoms found in structure"  
308  A  SER   72  C     177.313      .  1  "No matching atoms found in structure"  
309  A  THR   71  C     174.614      .  1  "No matching atoms found in structure"  
310  A  THR   70  C     175.435      .  1  "No matching atoms found in structure"  
311  A  PHE   69  C     175.241      .  1  "No matching atoms found in structure"  
312  A  GLN   68  C     174.813      .  1  "No matching atoms found in structure"  
313  A  LYS   67  C     174.006      .  1  "No matching atoms found in structure"  
314  A  GLY   66  C     173.337      .  1  "No matching atoms found in structure"  
315  A  CYS   65  C     176.295      .  1  "No matching atoms found in structure"  
316  A  GLU   64  C     177.231      .  1  "No matching atoms found in structure"  
317  A  ARG   63  C     176.307      .  1  "No matching atoms found in structure"  
318  A  CYS   62  C     177.533      .  1  "No matching atoms found in structure"  
319  A  LYS   61  C     175.533      .  1  "No matching atoms found in structure"  
320  A  LEU   60  C     174.836      .  1  "No matching atoms found in structure"  
321  A  PRO   59  C     176.875      .  1  "No matching atoms found in structure"  
322  A  LEU   75  C     177.097      .  1  "No matching atoms found in structure"  
323  A  ASN   74  C     177.974      .  1  "No matching atoms found in structure"  
324  A  GLY   73  C     176.236      .  1  "No matching atoms found in structure"  
325  A  THR   25  C     175.170      .  1  "No matching atoms found in structure"  
326  A  GLU   24  C     178.251      .  1  "No matching atoms found in structure"  
327  A  ARG   21  C     179.107      .  1  "No matching atoms found in structure"  
328  A  MET   20  C     178.910      .  1  "No matching atoms found in structure"  
329  A  SER   18  C     177.038      .  1  "No matching atoms found in structure"  
330  A  THR   17  C     176.424      .  1  "No matching atoms found in structure"  
331  A  PRO   16  C     178.801      .  1  "No matching atoms found in structure"  
332  A  SER   14  C     173.113      .  1  "No matching atoms found in structure"  
333  A  PHE   13  C     175.330      .  1  "No matching atoms found in structure"  
334  A  SER   12  C     172.775      .  1  "No matching atoms found in structure"  
335  A  ARG   11  C     174.220      .  1  "No matching atoms found in structure"  
336  A  GLY   10  C     173.932      .  1  "No matching atoms found in structure"  
337  A  CYS    9  C     175.815      .  1  "No matching atoms found in structure"  
338  A  TYR    8  C     176.440      .  1  "No matching atoms found in structure"  
339  A  ASP    7  C     175.676      .  1  "No matching atoms found in structure"  
340  A  CYS    6  C     176.578      .  1  "No matching atoms found in structure"  
341  A  GLN    5  C     175.122      .  1  "No matching atoms found in structure"  
342  A  TYR    4  C     174.569      .  1  "No matching atoms found in structure"  
343  A  PRO    3  C     176.083      .  1  "No matching atoms found in structure"  
344  A  GLU   24  H       7.122  0.012  1  "No matching atoms found in structure"  
345  A  GLU   24  N     116.297   0.04  1  "No matching atoms found in structure"  
346  A  LEU   23  CA     58.592  0.067  1  "No matching atoms found in structure"  
347  A  LEU   23  CB     41.658  0.064  1  "No matching atoms found in structure"  
348  A  LEU   23  C     179.021      .  1  "No matching atoms found in structure"  
349  A  LEU   23  H       8.385   0.01  1  "No matching atoms found in structure"  
350  A  LEU   23  N     122.319  0.052  1  "No matching atoms found in structure"  
351  A  HIS   22  C     178.014      .  1  "No matching atoms found in structure"  
352  A  MET   20  H       7.831   0.01  1  "No matching atoms found in structure"  
353  A  MET   20  N     118.908  0.012  1  "No matching atoms found in structure"  
354  A  LYS   19  C     176.639      .  1  "No matching atoms found in structure"  
355  A  HIS   92  H       8.526  0.015  1  "No matching atoms found in structure"  
356  A  HIS   92  N     121.590  0.059  1  "No matching atoms found in structure"  
357  A  ILE   91  C     175.617      .  1  "No matching atoms found in structure"  
358  A  THR  111  CG2    21.179  0.058  1  "No matching atoms found in structure"  
359  A  ILE  109  CG1    26.404  0.037  1  "No matching atoms found in structure"  
360  A  ILE  109  CG2    16.582  0.078  1  "No matching atoms found in structure"  
361  A  ILE  109  CD1    14.638  0.053  1  "No matching atoms found in structure"  
362  A  ARG  108  CG     27.003  0.006  1  "No matching atoms found in structure"  
363  A  ARG  108  CD     43.062  0.065  1  "No matching atoms found in structure"  
364  A  ARG  105  CG     28.003  0.008  1  "No matching atoms found in structure"  
365  A  ARG  105  CD     43.004  0.009  1  "No matching atoms found in structure"  
366  A  GLN  104  CG     33.706  0.078  1  "No matching atoms found in structure"  
367  A  LEU  103  CD2    23.359  0.026  2  "No matching atoms found in structure"  
368  A  LEU  103  CG     26.606      .  1  "No matching atoms found in structure"  
369  A  VAL  107  CG2    21.848  0.048  2  "No matching atoms found in structure"  
370  A  PRO  100  CG     26.824  0.024  1  "No matching atoms found in structure"  
371  A  PRO  100  CD     50.016  0.034  1  "No matching atoms found in structure"  
372  A  GLN   96  CG     34.060      .  1  "No matching atoms found in structure"  
373  A  ARG   95  CG     28.398  0.018  1  "No matching atoms found in structure"  
374  A  ARG   95  CD     43.547  0.078  1  "No matching atoms found in structure"  
375  A  GLN   94  CG     34.360  0.054  1  "No matching atoms found in structure"  
376  A  VAL   89  CG2    20.584  0.048  2  "No matching atoms found in structure"  
377  A  PRO   87  CG     26.478  0.076  1  "No matching atoms found in structure"  
378  A  PRO   87  CD     49.706  0.016  1  "No matching atoms found in structure"  
379  A  GLU   85  CG     36.140  0.054  1  "No matching atoms found in structure"  
380  A  ARG   80  CG     27.104  0.009  1  "No matching atoms found in structure"  
381  A  ARG   80  CD     43.397  0.007  1  "No matching atoms found in structure"  
382  A  LEU   79  CG     24.335  0.049  1  "No matching atoms found in structure"  
383  A  LEU   79  CD2    25.641  0.055  1  "No matching atoms found in structure"  
384  A  LEU   79  CD1    25.641  0.055  1  "No matching atoms found in structure"  
385  A  ARG   77  CG     27.980  0.018  1  "No matching atoms found in structure"  
386  A  ARG   77  CD     43.205   0.01  1  "No matching atoms found in structure"  
387  A  LYS   76  CG     25.900  0.001  1  "No matching atoms found in structure"  
388  A  LYS   76  CD     29.270  0.048  1  "No matching atoms found in structure"  
389  A  LYS   76  CE     41.796  0.008  1  "No matching atoms found in structure"  
390  A  THR   70  CG2    22.256  0.075  1  "No matching atoms found in structure"  
391  A  GLN   68  CG     34.108  0.045  1  "No matching atoms found in structure"  
392  A  LYS   67  CG     26.138      .  1  "No matching atoms found in structure"  
393  A  LYS   67  CD     28.967  0.043  1  "No matching atoms found in structure"  
394  A  LYS   67  CE     42.133  0.037  1  "No matching atoms found in structure"  
395  A  GLU   64  CG     35.257  0.051  1  "No matching atoms found in structure"  
396  A  ARG   63  CG     27.124  0.035  1  "No matching atoms found in structure"  
397  A  ARG   63  CD     43.293  0.028  1  "No matching atoms found in structure"  
398  A  LYS   61  CG     25.191      .  1  "No matching atoms found in structure"  
399  A  LYS   61  CD     29.395   0.01  1  "No matching atoms found in structure"  
400  A  LYS   61  CE     41.411  0.018  1  "No matching atoms found in structure"  
401  A  LEU   60  CD2    25.524   0.06  2  "No matching atoms found in structure"  
402  A  LEU   75  CD1    26.273  0.058  2  "No matching atoms found in structure"  
403  A  LEU   75  CD2    22.725  0.056  2  "No matching atoms found in structure"  
404  A  THR   25  CG2    21.666  0.065  1  "No matching atoms found in structure"  
405  A  GLU   24  CG     36.091  0.055  1  "No matching atoms found in structure"  
406  A  LEU   23  CD1    24.716  0.047  2  "No matching atoms found in structure"  
407  A  LEU   23  CD2    25.930  0.044  2  "No matching atoms found in structure"  
408  A  ARG   21  CG     27.802  0.004  1  "No matching atoms found in structure"  
409  A  ARG   21  CD     43.078      .  1  "No matching atoms found in structure"  
410  A  MET   20  CG     31.692  0.036  1  "No matching atoms found in structure"  
411  A  LYS   19  CG     25.300  0.002  1  "No matching atoms found in structure"  
412  A  LYS   19  CD     28.802      .  1  "No matching atoms found in structure"  
413  A  LYS   19  CE     43.094      .  1  "No matching atoms found in structure"  
414  A  THR   17  CG2    21.805  0.071  1  "No matching atoms found in structure"  
415  A  PRO   16  CG     26.727      .  1  "No matching atoms found in structure"  
416  A  PRO   16  CD     49.900    0.0  1  "No matching atoms found in structure"  
417  A  ARG   11  CG     27.904  0.008  1  "No matching atoms found in structure"  
418  A  ARG   11  CD     43.278  0.019  1  "No matching atoms found in structure"  
419  A  GLN    5  CG     33.813  0.038  1  "No matching atoms found in structure"  
420  A  PRO    3  CG     27.125      .  1  "No matching atoms found in structure"  
421  A  PRO    3  CD     50.236      .  1  "No matching atoms found in structure"  
422  A  PRO   59  CG     26.989  0.039  1  "No matching atoms found in structure"  
423  A  PRO   59  CD     49.803  0.018  1  "No matching atoms found in structure"  
424  A  ILE   91  CG1    28.529      .  1  "No matching atoms found in structure"  
425  A  ILE   91  CG2    17.542  0.027  1  "No matching atoms found in structure"  
426  A  ILE   91  CD1    13.948      .  1  "No matching atoms found in structure"  
427  A  ILE  109  HG21    0.441  0.015  1  "No matching atoms found in structure"  
428  A  ILE  109  HG22    0.441  0.015  1  "No matching atoms found in structure"  
429  A  ILE  109  HG23    0.441  0.015  1  "No matching atoms found in structure"  
430  A  ILE  109  HD11    0.526  0.013  1  "No matching atoms found in structure"  
431  A  ILE  109  HD12    0.526  0.013  1  "No matching atoms found in structure"  
432  A  ILE  109  HD13    0.526  0.013  1  "No matching atoms found in structure"  
433  A  ILE  109  HG13    0.815  0.015  2  "No matching atoms found in structure"  
434  A  ILE  109  HG12    0.754  0.015  2  "No matching atoms found in structure"  
435  A  ILE  109  HB      1.548  0.013  1  "No matching atoms found in structure"  
436  A  ILE  109  HA      3.813  0.015  1  "No matching atoms found in structure"  
437  A  MET   20  HE1     1.933  0.014  1  "No matching atoms found in structure"  
438  A  MET   20  HE2     1.933  0.014  1  "No matching atoms found in structure"  
439  A  MET   20  HE3     1.933  0.014  1  "No matching atoms found in structure"  
440  A  MET   20  CE     16.780  0.058  1  "No matching atoms found in structure"  
441  A  ALA  102  HA      3.817  0.012  1  "No matching atoms found in structure"  
442  A  ALA  102  HB1     1.465  0.011  1  "No matching atoms found in structure"  
443  A  ALA  102  HB2     1.465  0.011  1  "No matching atoms found in structure"  
444  A  ALA  102  HB3     1.465  0.011  1  "No matching atoms found in structure"  
445  A  ALA   98  HB1     1.454  0.011  1  "No matching atoms found in structure"  
446  A  ALA   98  HB2     1.454  0.011  1  "No matching atoms found in structure"  
447  A  ALA   98  HB3     1.454  0.011  1  "No matching atoms found in structure"  
448  A  ALA   98  HA      4.462  0.014  1  "No matching atoms found in structure"  
449  A  THR   70  HG21    1.123  0.014  1  "No matching atoms found in structure"  
450  A  THR   70  HG22    1.123  0.014  1  "No matching atoms found in structure"  
451  A  THR   70  HG23    1.123  0.014  1  "No matching atoms found in structure"  
452  A  THR   70  HB      4.284  0.007  1  "No matching atoms found in structure"  
453  A  THR   70  HA      4.267  0.009  1  "No matching atoms found in structure"  
454  A  THR  111  HG21    0.991  0.014  1  "No matching atoms found in structure"  
455  A  THR  111  HG22    0.991  0.014  1  "No matching atoms found in structure"  
456  A  THR  111  HG23    0.991  0.014  1  "No matching atoms found in structure"  
457  A  THR  111  HA      4.135  0.015  1  "No matching atoms found in structure"  
458  A  THR  111  HB      4.176  0.014  1  "No matching atoms found in structure"  
459  A  THR   25  HA      4.010  0.013  1  "No matching atoms found in structure"  
460  A  THR   25  HB      3.921  0.014  1  "No matching atoms found in structure"  
461  A  THR   25  HG21    1.091  0.015  1  "No matching atoms found in structure"  
462  A  THR   25  HG22    1.091  0.015  1  "No matching atoms found in structure"  
463  A  THR   25  HG23    1.091  0.015  1  "No matching atoms found in structure"  
464  A  THR   17  HG21    1.038  0.013  1  "No matching atoms found in structure"  
465  A  THR   17  HG22    1.038  0.013  1  "No matching atoms found in structure"  
466  A  THR   17  HG23    1.038  0.013  1  "No matching atoms found in structure"  
467  A  THR   17  HB      4.031  0.009  1  "No matching atoms found in structure"  
468  A  THR   17  HA      3.759  0.015  1  "No matching atoms found in structure"  
469  A  GLY   84  HA3     3.816  0.013  1  "No matching atoms found in structure"  
470  A  GLY   84  HA2     3.816  0.013  1  "No matching atoms found in structure"  
471  A  PRO  100  HD3     3.617   0.01  2  "No matching atoms found in structure"  
472  A  PRO  100  HD2     3.025  0.008  2  "No matching atoms found in structure"  
473  A  PRO  100  HB2     1.712  0.012  2  "No matching atoms found in structure"  
474  A  PRO  100  HB3     1.641  0.011  2  "No matching atoms found in structure"  
475  A  PRO  100  HG3     1.811  0.014  2  "No matching atoms found in structure"  
476  A  PRO  100  HG2     1.556  0.007  2  "No matching atoms found in structure"  
477  A  MET    1  CE     19.935  0.024  1  "No matching atoms found in structure"  
478  A  MET    1  HE1     1.616  0.013  1  "No matching atoms found in structure"  
479  A  MET    1  HE2     1.616  0.013  1  "No matching atoms found in structure"  
480  A  MET    1  HE3     1.616  0.013  1  "No matching atoms found in structure"  
481  A  ASP   99  HB3     2.666  0.013  2  "No matching atoms found in structure"  
482  A  ASP   99  HB2     2.535  0.014  2  "No matching atoms found in structure"  
483  A  ASP   99  HA      4.742  0.013  1  "No matching atoms found in structure"  
484  A  LEU   75  HD21    0.704  0.013  2  "No matching atoms found in structure"  
485  A  LEU   75  HD22    0.704  0.013  2  "No matching atoms found in structure"  
486  A  LEU   75  HD23    0.704  0.013  2  "No matching atoms found in structure"  
487  A  LEU   75  HD11    0.793  0.011  2  "No matching atoms found in structure"  
488  A  LEU   75  HD12    0.793  0.011  2  "No matching atoms found in structure"  
489  A  LEU   75  HD13    0.793  0.011  2  "No matching atoms found in structure"  
490  A  LEU   75  HB3     1.841  0.013  2  "No matching atoms found in structure"  
491  A  LEU   75  HA      2.948  0.013  1  "No matching atoms found in structure"  
492  A  LEU   23  HA      3.784  0.013  1  "No matching atoms found in structure"  
493  A  LEU   23  HB3     1.912  0.012  2  "No matching atoms found in structure"  
494  A  LEU   23  HB2     1.598  0.014  2  "No matching atoms found in structure"  
495  A  LEU   23  HD11    1.146  0.014  2  "No matching atoms found in structure"  
496  A  LEU   23  HD12    1.146  0.014  2  "No matching atoms found in structure"  
497  A  LEU   23  HD13    1.146  0.014  2  "No matching atoms found in structure"  
498  A  LEU   23  HD21    1.002  0.013  2  "No matching atoms found in structure"  
499  A  LEU   23  HD22    1.002  0.013  2  "No matching atoms found in structure"  
500  A  LEU   23  HD23    1.002  0.013  2  "No matching atoms found in structure"  
501  A  LEU   79  HG      1.083  0.013  1  "No matching atoms found in structure"  
502  A  LEU   79  HD11    0.840  0.013  1  "No matching atoms found in structure"  
503  A  LEU   79  HD12    0.840  0.013  1  "No matching atoms found in structure"  
504  A  LEU   79  HD13    0.840  0.013  1  "No matching atoms found in structure"  
505  A  LEU   79  HD21    0.840  0.013  1  "No matching atoms found in structure"  
506  A  LEU   79  HD22    0.840  0.013  1  "No matching atoms found in structure"  
507  A  LEU   79  HD23    0.840  0.013  1  "No matching atoms found in structure"  
508  A  LEU   79  HB3     1.755  0.011  2  "No matching atoms found in structure"  
509  A  LEU   79  HB2     1.415  0.014  2  "No matching atoms found in structure"  
510  A  LEU   79  HA      3.643  0.013  1  "No matching atoms found in structure"  
511  A  LEU   79  N     116.633  0.031  1  "No matching atoms found in structure"  
512  A  LEU   79  H       8.084  0.009  1  "No matching atoms found in structure"  
513  A  HIS   78  C     175.930      .  1  "No matching atoms found in structure"  
514  A  ASP    7  HA      4.216  0.012  1  "No matching atoms found in structure"  
515  A  ASP    7  HB3     2.309  0.013  2  "No matching atoms found in structure"  
516  A  ASP    7  HB2     1.901  0.012  2  "No matching atoms found in structure"  
517  A  GLU   24  HA      3.992  0.012  1  "No matching atoms found in structure"  
518  A  GLU   24  HB2     1.983  0.011  1  "No matching atoms found in structure"  
519  A  GLU   24  HB3     1.983  0.011  1  "No matching atoms found in structure"  
520  A  GLU   24  HG3     2.400  0.011  2  "No matching atoms found in structure"  
521  A  GLU   24  HG2     2.200  0.014  2  "No matching atoms found in structure"  
522  A  GLN  104  HA      3.800  0.011  1  "No matching atoms found in structure"  
523  A  GLN  104  HG3     2.304  0.009  2  "No matching atoms found in structure"  
524  A  GLN  104  HG2     2.220  0.015  2  "No matching atoms found in structure"  
525  A  GLN  104  HB2     1.990  0.014  1  "No matching atoms found in structure"  
526  A  GLN  104  HB3     1.990  0.014  1  "No matching atoms found in structure"  
527  A  GLU   85  HB3     1.873  0.012  2  "No matching atoms found in structure"  
528  A  GLU   85  HB2     1.807  0.012  2  "No matching atoms found in structure"  
529  A  GLU   85  HG3     2.141  0.009  2  "No matching atoms found in structure"  
530  A  GLU   85  HG2     2.113  0.014  2  "No matching atoms found in structure"  
531  A  GLU   85  HA      4.085  0.012  1  "No matching atoms found in structure"  
532  A  CYS   62  HB3     3.195  0.013  2  "No matching atoms found in structure"  
533  A  CYS   62  HB2     2.727   0.01  2  "No matching atoms found in structure"  
534  A  CYS   62  HA      4.349  0.013  1  "No matching atoms found in structure"  
535  A  CYS   90  HA      4.504  0.013  1  "No matching atoms found in structure"  
536  A  CYS   90  HB3     3.275   0.01  2  "No matching atoms found in structure"  
537  A  CYS   90  HB2     2.753  0.012  2  "No matching atoms found in structure"  
538  A  CYS    6  HA      4.277  0.014  1  "No matching atoms found in structure"  
539  A  CYS    6  HB3     2.863  0.013  2  "No matching atoms found in structure"  
540  A  CYS    6  HB2     3.368  0.012  2  "No matching atoms found in structure"  
541  A  ARG   95  HA      3.927  0.012  1  "No matching atoms found in structure"  
542  A  ARG   11  HA      3.928  0.014  1  "No matching atoms found in structure"  
543  A  ARG   11  HD3     2.949  0.011  2  "No matching atoms found in structure"  
544  A  ARG   11  HD2     2.752  0.014  2  "No matching atoms found in structure"  
545  A  ARG   95  HD2     2.758  0.009  2  "No matching atoms found in structure"  
546  A  ARG   95  HD3     2.976  0.008  2  "No matching atoms found in structure"  
547  A  ARG   95  HB2     1.354  0.012  2  "No matching atoms found in structure"  
548  A  ARG   95  HB3     1.201  0.015  2  "No matching atoms found in structure"  
549  A  ARG   11  HB3     1.346  0.013  2  "No matching atoms found in structure"  
550  A  ARG   11  CB     31.248  0.044  1  "No matching atoms found in structure"  
551  A  ARG   11  HB2     1.197  0.015  2  "No matching atoms found in structure"  
552  A  ARG   11  HG3     1.704  0.011  2  "No matching atoms found in structure"  
553  A  ARG   11  HG2     1.668  0.015  2  "No matching atoms found in structure"  
554  A  ARG   95  HG2     1.705  0.011  2  "No matching atoms found in structure"  
555  A  ARG   95  HG3     1.671  0.015  2  "No matching atoms found in structure"  
556  A  VAL  107  CG1    22.376  0.024  2  "No matching atoms found in structure"  
557  A  VAL  107  HG21    1.191  0.014  2  "No matching atoms found in structure"  
558  A  VAL  107  HG22    1.191  0.014  2  "No matching atoms found in structure"  
559  A  VAL  107  HG23    1.191  0.014  2  "No matching atoms found in structure"  
560  A  VAL  107  HG11    1.257  0.013  2  "No matching atoms found in structure"  
561  A  VAL  107  HG12    1.257  0.013  2  "No matching atoms found in structure"  
562  A  VAL  107  HG13    1.257  0.013  2  "No matching atoms found in structure"  
563  A  VAL  107  HB      2.207  0.014  1  "No matching atoms found in structure"  
564  A  VAL  107  HA      3.473  0.012  1  "No matching atoms found in structure"  
565  A  VAL   89  CG1    21.513  0.065  2  "No matching atoms found in structure"  
566  A  VAL   89  HG21    0.599  0.013  2  "No matching atoms found in structure"  
567  A  VAL   89  HG22    0.599  0.013  2  "No matching atoms found in structure"  
568  A  VAL   89  HG23    0.599  0.013  2  "No matching atoms found in structure"  
569  A  VAL   89  HG11    0.649  0.011  2  "No matching atoms found in structure"  
570  A  VAL   89  HG12    0.649  0.011  2  "No matching atoms found in structure"  
571  A  VAL   89  HG13    0.649  0.011  2  "No matching atoms found in structure"  
572  A  VAL   89  HB      1.702  0.013  1  "No matching atoms found in structure"  
573  A  VAL   89  HA      4.578  0.011  1  "No matching atoms found in structure"  
574  A  HIS  106  HA      4.103  0.014  1  "No matching atoms found in structure"  
575  A  LEU   60  HB3     1.618  0.015  2  "No matching atoms found in structure"  
576  A  LEU   60  CB     41.692  0.037  1  "No matching atoms found in structure"  
577  A  LEU   60  HB2     1.426   0.01  2  "No matching atoms found in structure"  
578  A  LEU   60  CA     54.188   0.06  1  "No matching atoms found in structure"  
579  A  LEU   60  HA      4.313  0.011  1  "No matching atoms found in structure"  
580  A  LEU   60  CG     26.901  0.003  1  "No matching atoms found in structure"  
581  A  LEU   60  HG      1.424  0.013  1  "No matching atoms found in structure"  
582  A  LEU   60  HD21    0.610  0.012  1  "No matching atoms found in structure"  
583  A  LEU   60  HD22    0.610  0.012  1  "No matching atoms found in structure"  
584  A  LEU   60  HD23    0.610  0.012  1  "No matching atoms found in structure"  
585  A  LEU   60  CD1    23.005  0.045  2  "No matching atoms found in structure"  
586  A  LEU   60  HD11    0.585  0.015  1  "No matching atoms found in structure"  
587  A  LEU   60  HD12    0.585  0.015  1  "No matching atoms found in structure"  
588  A  LEU   60  HD13    0.585  0.015  1  "No matching atoms found in structure"  
589  A  GLN   94  HG2     2.099  0.015  1  "No matching atoms found in structure"  
590  A  GLN   94  HG3     2.099  0.015  1  "No matching atoms found in structure"  
591  A  GLN   94  HB3     2.186  0.007  2  "No matching atoms found in structure"  
592  A  GLN   94  HB2     2.306  0.011  2  "No matching atoms found in structure"  
593  A  GLN   94  HA      3.876  0.012  1  "No matching atoms found in structure"  
594  A  GLN   68  CB     31.199  0.003  1  "No matching atoms found in structure"  
595  A  ARG   63  HD2     3.085  0.013  1  "No matching atoms found in structure"  
596  A  ARG   63  HD3     3.085  0.013  1  "No matching atoms found in structure"  
597  A  ARG   63  HA      3.996  0.015  1  "No matching atoms found in structure"  
598  A  ARG   63  HB2     1.789  0.013  1  "No matching atoms found in structure"  
599  A  ARG   63  HB3     1.789  0.013  1  "No matching atoms found in structure"  
600  A  ARG   63  HG3     1.586  0.013  1  "No matching atoms found in structure"  
601  A  ARG   63  HG2     1.586  0.013  1  "No matching atoms found in structure"  
602  A  MET   20  HG3     2.049  0.013  1  "No matching atoms found in structure"  
603  A  MET   20  HG2     2.049  0.013  1  "No matching atoms found in structure"  
604  A  MET   20  HB3     2.496  0.014  2  "No matching atoms found in structure"  
605  A  MET   20  HB2     2.527  0.014  2  "No matching atoms found in structure"  
606  A  MET   20  HA      3.927  0.012  1  "No matching atoms found in structure"  
607  A  THR   71  HA      4.732  0.002  1  "No matching atoms found in structure"  
608  A  THR   71  HB      4.444  0.014  1  "No matching atoms found in structure"  
609  A  THR   71  HG21    1.107  0.011  1  "No matching atoms found in structure"  
610  A  THR   71  HG22    1.107  0.011  1  "No matching atoms found in structure"  
611  A  THR   71  HG23    1.107  0.011  1  "No matching atoms found in structure"  
612  A  SER   72  HB3     3.807  0.015  1  "No matching atoms found in structure"  
613  A  SER   72  HB2     3.807  0.015  1  "No matching atoms found in structure"  
614  A  SER   72  HA      3.900  0.013  1  "No matching atoms found in structure"  
615  A  PRO    3  HA      4.147  0.006  1  "No matching atoms found in structure"  
616  A  PRO    3  HD3     3.614   0.01  2  "No matching atoms found in structure"  
617  A  PRO    3  HD2     3.477  0.012  2  "No matching atoms found in structure"  
618  A  PRO    3  HB3     1.923   0.01  2  "No matching atoms found in structure"  
619  A  PRO    3  HB2     1.312  0.009  2  "No matching atoms found in structure"  
620  A  PRO    3  HG2     1.693   0.01  1  "No matching atoms found in structure"  
621  A  ASP   15  HB3     2.724  0.012  2  "No matching atoms found in structure"  
622  A  ASP   15  HB2     2.561  0.015  2  "No matching atoms found in structure"  
623  A  ASP   15  HA      4.704  0.009  1  "No matching atoms found in structure"  
624  A  TYR    8  HB3     2.384  0.014  2  "No matching atoms found in structure"  
625  A  TYR    8  HA      4.240  0.007  1  "No matching atoms found in structure"  
626  A  GLY   66  HA2     3.630  0.013  2  "No matching atoms found in structure"  
627  A  GLY   66  HA3     4.080  0.014  2  "No matching atoms found in structure"  
628  A  LYS   67  HA      3.824  0.009  1  "No matching atoms found in structure"  
629  A  LYS   67  HE3     2.836  0.011  2  "No matching atoms found in structure"  
630  A  LYS   67  HE2     2.798  0.009  2  "No matching atoms found in structure"  
631  A  LYS   67  HB3     1.317  0.007  2  "No matching atoms found in structure"  
632  A  LYS   67  HB2     1.082  0.015  2  "No matching atoms found in structure"  
633  A  LYS   67  HD2     1.335  0.009  1  "No matching atoms found in structure"  
634  A  LYS   67  HD3     1.335  0.009  1  "No matching atoms found in structure"  
635  A  GLN    5  HA      4.877  0.013  1  "No matching atoms found in structure"  
636  A  GLN    5  HB2     1.708  0.008  1  "No matching atoms found in structure"  
637  A  GLN    5  HB3     1.708  0.008  1  "No matching atoms found in structure"  
638  A  GLN    5  HG3     2.020  0.015  1  "No matching atoms found in structure"  
639  A  GLN    5  HG2     2.020  0.015  1  "No matching atoms found in structure"  
640  A  GLY   10  HA3     3.753  0.011  2  "No matching atoms found in structure"  
641  A  GLY   10  HA2     4.050   0.01  2  "No matching atoms found in structure"  
642  A  GLY   10  CA     46.039  0.043  1  "No matching atoms found in structure"  
643  A  GLY  101  HA2     3.630  0.011  1  "No matching atoms found in structure"  
644  A  GLY  101  HA3     3.630  0.011  1  "No matching atoms found in structure"  
645  A  GLN   68  HE21    6.720   0.01  1  "No matching atoms found in structure"  
646  A  GLN   68  NE2   111.914  0.054  1  "No matching atoms found in structure"  
647  A  GLN   68  HE22    7.445  0.009  1  "No matching atoms found in structure"  
648  A  GLN   94  HE22    6.368  0.004  1  "No matching atoms found in structure"  
649  A  GLN  104  HE22    7.476  0.011  1  "No matching atoms found in structure"  
650  A  GLN  104  NE2   111.002  0.052  1  "No matching atoms found in structure"  
651  A  GLN   94  HE21    7.129   0.01  1  "No matching atoms found in structure"  
652  A  GLN   94  NE2   112.157  0.053  1  "No matching atoms found in structure"  
653  A  GLN  104  HE21    6.657  0.015  1  "No matching atoms found in structure"  
654  A  ASN   74  HA      4.397  0.012  1  "No matching atoms found in structure"  
655  A  ASN   74  HB3     2.821  0.013  1  "No matching atoms found in structure"  
656  A  ASN   74  HB2     2.821  0.013  1  "No matching atoms found in structure"  
657  A  TYR    4  HB3     2.825  0.012  2  "No matching atoms found in structure"  
658  A  TYR    4  HB2     2.651  0.013  2  "No matching atoms found in structure"  
659  A  TYR    4  HA      4.460  0.013  1  "No matching atoms found in structure"  
660  A  PHE   13  HB3     3.293  0.012  2  "No matching atoms found in structure"  
661  A  PHE   13  HB2     2.574  0.014  2  "No matching atoms found in structure"  
662  A  PHE   13  HA      4.591  0.009  1  "No matching atoms found in structure"  
663  A  GLY  112  HA3     3.548  0.014  2  "No matching atoms found in structure"  
664  A  GLY  112  CA     46.168  0.065  1  "No matching atoms found in structure"  
665  A  GLY  112  HA2     3.751  0.011  2  "No matching atoms found in structure"  
666  A  GLY   73  CA     46.952  0.067  1  "No matching atoms found in structure"  
667  A  GLY   73  HA2     3.804  0.014  1  "No matching atoms found in structure"  
668  A  GLY   73  HA3     3.804  0.014  1  "No matching atoms found in structure"  
669  A  CYS   65  HA      5.028   0.01  1  "No matching atoms found in structure"  
670  A  CYS   93  HA      5.023  0.007  1  "No matching atoms found in structure"  
671  A  CYS   93  HB3     2.723  0.014  2  "No matching atoms found in structure"  
672  A  CYS   93  HB2     3.312  0.015  2  "No matching atoms found in structure"  
673  A  HIS   92  HA      4.204  0.013  1  "No matching atoms found in structure"  
674  A  CYS   65  HB3     3.309  0.012  2  "No matching atoms found in structure"  
675  A  CYS   65  HB2     2.723  0.011  2  "No matching atoms found in structure"  
676  A  CYS    9  HA      5.038  0.011  1  "No matching atoms found in structure"  
677  A  CYS    9  HB3     3.342  0.011  2  "No matching atoms found in structure"  
678  A  CYS    9  HB2     2.886  0.014  2  "No matching atoms found in structure"  
679  A  HIS  110  HA      4.476  0.015  1  "No matching atoms found in structure"  
680  A  HIS  110  HB3     2.481  0.002  2  "No matching atoms found in structure"  
681  A  HIS  110  HB2     2.600   0.01  2  "No matching atoms found in structure"  
682  A  HIS   78  HB3     2.643  0.015  2  "No matching atoms found in structure"  
683  A  HIS   78  HB2     2.931   0.01  2  "No matching atoms found in structure"  
684  A  HIS   78  HA      4.039  0.011  1  "No matching atoms found in structure"  
685  A  HIS  106  HB3     2.900   0.01  2  "No matching atoms found in structure"  
686  A  HIS  106  HB2     2.703  0.011  2  "No matching atoms found in structure"  
687  A  HIS  106  N     118.237  0.053  1  "No matching atoms found in structure"  
688  A  HIS   22  HA      4.167   0.01  1  "No matching atoms found in structure"  
689  A  HIS   22  HB3     2.858  0.011  2  "No matching atoms found in structure"  
690  A  HIS   22  HB2     2.715  0.011  2  "No matching atoms found in structure"  
691  A  GLN   96  HA      4.845  0.011  1  "No matching atoms found in structure"  
692  A  PHE   97  HA      4.456  0.014  1  "No matching atoms found in structure"  
693  A  PHE   97  HB3     3.114  0.011  2  "No matching atoms found in structure"  
694  A  TYR   88  HA      4.453  0.014  1  "No matching atoms found in structure"  
695  A  TYR   88  HB2     2.763  0.011  1  "No matching atoms found in structure"  
696  A  TYR   88  HB3     2.764  0.011  1  "No matching atoms found in structure"  
697  A  ARG  108  HA      4.002  0.009  1  "No matching atoms found in structure"  
698  A  ARG  108  HB2     1.614  0.008  1  "No matching atoms found in structure"  
699  A  ARG  108  HB3     1.614  0.008  1  "No matching atoms found in structure"  
700  A  ARG  105  HB2     1.640  0.011  1  "No matching atoms found in structure"  
701  A  ARG  105  HB3     1.639  0.011  1  "No matching atoms found in structure"  
702  A  PRO  100  HA      3.463  0.014  1  "No matching atoms found in structure"  
703  A  LEU  103  HB2     1.706  0.013  2  "No matching atoms found in structure"  
704  A  LEU  103  HB3     1.029  0.009  2  "No matching atoms found in structure"  
705  A  LEU  103  HD21    0.864  0.015  2  "No matching atoms found in structure"  
706  A  LEU  103  HD22    0.864  0.015  2  "No matching atoms found in structure"  
707  A  LEU  103  HD23    0.864  0.015  2  "No matching atoms found in structure"  
708  A  LEU  103  HD11    0.775   0.01  2  "No matching atoms found in structure"  
709  A  LEU  103  HD12    0.775   0.01  2  "No matching atoms found in structure"  
710  A  LEU  103  HD13    0.775   0.01  2  "No matching atoms found in structure"  
711  A  LEU  103  HG      1.429   0.01  1  "No matching atoms found in structure"  
712  A  SER   83  HA      4.261   0.01  1  "No matching atoms found in structure"  
713  A  SER   83  HB2     3.775  0.012  1  "No matching atoms found in structure"  
714  A  SER   83  HB3     3.775  0.012  1  "No matching atoms found in structure"  
715  A  ILE   81  HA      3.798  0.006  1  "No matching atoms found in structure"  
716  A  ARG   80  HA      3.936  0.011  1  "No matching atoms found in structure"  
717  A  ARG   80  HB2     1.677  0.008  1  "No matching atoms found in structure"  
718  A  ARG   80  HB3     1.677  0.008  1  "No matching atoms found in structure"  
719  A  ARG   80  HG3     1.540  0.012  1  "No matching atoms found in structure"  
720  A  ARG   80  HG2     1.540  0.012  1  "No matching atoms found in structure"  
721  A  ARG   77  HB2     1.692  0.014  1  "No matching atoms found in structure"  
722  A  ARG   77  HB3     1.692  0.014  1  "No matching atoms found in structure"  
723  A  ARG   77  HA      3.799  0.008  1  "No matching atoms found in structure"  
724  A  PHE   97  HD1     7.039  0.012  3  "No matching atoms found in structure"  
725  A  PHE   97  HD2     7.039  0.012  3  "No matching atoms found in structure"  
726  A  TYR    8  HD1     6.692  0.013  3  "No matching atoms found in structure"  
727  A  TYR    8  HD2     6.692  0.013  3  "No matching atoms found in structure"  
728  A  PHE   13  HD1     7.020  0.012  3  "No matching atoms found in structure"  
729  A  PHE   13  HD2     7.020  0.012  3  "No matching atoms found in structure"  
730  A  TYR    4  HD1     6.888   0.01  3  "No matching atoms found in structure"  
731  A  TYR    4  HD2     6.888   0.01  3  "No matching atoms found in structure"  
732  A  ARG   21  HB3     1.648  0.015  1  "No matching atoms found in structure"  
733  A  ARG   21  HB2     1.648  0.015  1  "No matching atoms found in structure"  
734  A  ARG   21  HG2     1.513   0.01  1  "No matching atoms found in structure"  
735  A  ARG   21  HG3     1.513   0.01  1  "No matching atoms found in structure"  
736  A  LEU  103  CD1    23.066  0.038  2  "No matching atoms found in structure"  
737  A  PRO    3  HG3     1.693   0.01  1  "No matching atoms found in structure"  
738  A  ARG  108  HG2     1.515   0.01  1  "No matching atoms found in structure"  
739  A  ARG  108  HG3     1.515   0.01  1  "No matching atoms found in structure"  
740  A  ARG  105  HG3     1.332  0.008  1  "No matching atoms found in structure"  
741  A  ARG  105  HG2     1.332  0.008  1  "No matching atoms found in structure"  
742  A  ARG   77  HG2     1.439  0.009  1  "No matching atoms found in structure"  
743  A  ARG   77  HG3     1.439  0.009  1  "No matching atoms found in structure"  
744  A  ARG   77  HD2     3.057  0.012  1  "No matching atoms found in structure"  
745  A  ARG   77  HD3     3.057  0.012  1  "No matching atoms found in structure"  
746  A  ARG   80  HD3     3.053   0.01  1  "No matching atoms found in structure"  
747  A  ARG   80  HD2     3.053   0.01  1  "No matching atoms found in structure"  
748  A  LYS   61  HA      4.907  0.014  1  "No matching atoms found in structure"  
749  A  PHE   69  HD1     7.040  0.011  3  "No matching atoms found in structure"  
750  A  PHE   69  HD2     7.040  0.011  3  "No matching atoms found in structure"  
751  A  HIS   78  HD2     6.719  0.015  1  "No matching atoms found in structure"  
752  A  GLU   64  HA      4.075  0.012  1  "No matching atoms found in structure"  
753  A  ARG   21  HA      3.905  0.008  1  "No matching atoms found in structure"  
754  A  ARG   21  HD2     2.995  0.015  1  "No matching atoms found in structure"  
755  A  ARG   21  HD3     2.995  0.015  1  "No matching atoms found in structure"  
756  A  GLU   64  HB3     1.008  0.004  2  "No matching atoms found in structure"  
757  A  GLU   64  HB2     1.186  0.009  2  "No matching atoms found in structure"  
758  A  GLU   64  HG2     1.675  0.014  1  "No matching atoms found in structure"  
759  A  GLU   64  HG3     1.675  0.014  1  "No matching atoms found in structure"  
760  A  LYS   67  HG2     0.923  0.014  1  "No matching atoms found in structure"  
761  A  LYS   67  HG3     0.923  0.014  1  "No matching atoms found in structure"  
762  A  LEU   75  HB2     1.041  0.015  2  "No matching atoms found in structure"  
763  A  LYS   76  HA      3.648  0.008  1  "No matching atoms found in structure"  
764  A  PRO   59  HD3     3.483  0.009  1  "No matching atoms found in structure"  
765  A  PRO   59  HD2     3.483  0.009  1  "No matching atoms found in structure"  
766  A  GLN   68  HG2     2.037  0.011  1  "No matching atoms found in structure"  
767  A  GLN   68  HG3     2.037  0.011  1  "No matching atoms found in structure"  
768  A  PRO   59  HA      4.352    0.0  1  "No matching atoms found in structure"  
769  A  PRO   59  HB2     2.093  0.008  1  "No matching atoms found in structure"  
770  A  PRO   59  HB3     2.093  0.008  1  "No matching atoms found in structure"  
771  A  PRO   59  HG3     1.822  0.014  1  "No matching atoms found in structure"  
772  A  PRO   59  HG2     1.822  0.014  1  "No matching atoms found in structure"  
773  A  GLN   68  HA      4.678  0.011  1  "No matching atoms found in structure"  
774  A  LYS   61  HE3     2.782  0.012  1  "No matching atoms found in structure"  
775  A  LYS   61  HE2     2.782  0.012  1  "No matching atoms found in structure"  
776  A  LYS   61  HG2     0.973  0.012  1  "No matching atoms found in structure"  
777  A  LYS   61  HG3     0.973  0.012  1  "No matching atoms found in structure"  
778  A  LYS   61  HB3     1.431  0.013  1  "No matching atoms found in structure"  
779  A  LYS   61  HB2     1.431  0.013  1  "No matching atoms found in structure"  
780  A  LYS   61  HD3     1.427  0.011  1  "No matching atoms found in structure"  
781  A  LYS   61  HD2     1.427  0.011  1  "No matching atoms found in structure"  
782  A  PHE   69  HB3     2.540  0.015  2  "No matching atoms found in structure"  
783  A  PHE   69  HB2     3.121  0.009  2  "No matching atoms found in structure"  
784  A  LEU   75  HG      1.346  0.007  1  "No matching atoms found in structure"  
785  A  LEU   75  CG     26.908  0.021  1  "No matching atoms found in structure"  
786  A  LYS   76  HE2     2.780  0.011  1  "No matching atoms found in structure"  
787  A  LYS   76  HE3     2.780  0.011  1  "No matching atoms found in structure"  
788  A  LYS   76  HB3     1.721  0.014  1  "No matching atoms found in structure"  
789  A  LYS   76  HB2     1.721  0.014  1  "No matching atoms found in structure"  
790  A  LYS   76  HG2     1.233  0.012  1  "No matching atoms found in structure"  
791  A  LYS   76  HG3     1.232  0.012  1  "No matching atoms found in structure"  
792  A  LYS   76  HD3     1.487  0.013  1  "No matching atoms found in structure"  
793  A  LYS   76  HD2     1.487  0.013  1  "No matching atoms found in structure"  
794  A  ILE   81  HG21    0.443  0.011  1  "No matching atoms found in structure"  
795  A  ILE   81  HG22    0.443  0.011  1  "No matching atoms found in structure"  
796  A  ILE   81  HG23    0.443  0.011  1  "No matching atoms found in structure"  
797  A  ILE   81  HD11    0.564  0.014  1  "No matching atoms found in structure"  
798  A  ILE   81  HD12    0.564  0.014  1  "No matching atoms found in structure"  
799  A  ILE   81  HD13    0.564  0.014  1  "No matching atoms found in structure"  
800  A  HIS   82  HB3     2.951   0.01  2  "No matching atoms found in structure"  
801  A  HIS   82  HB2     3.196  0.008  2  "No matching atoms found in structure"  
802  A  HIS   82  HA      4.627  0.005  1  "No matching atoms found in structure"  
803  A  PRO   87  HD3     3.451  0.009  1  "No matching atoms found in structure"  
804  A  PRO   87  HD2     3.451  0.009  1  "No matching atoms found in structure"  
805  A  PRO   87  HB2     1.871  0.014  1  "No matching atoms found in structure"  
806  A  PRO   87  HB3     1.871  0.014  1  "No matching atoms found in structure"  
807  A  PRO   87  HG3     1.677  0.007  1  "No matching atoms found in structure"  
808  A  PRO   87  HG2     1.677  0.007  1  "No matching atoms found in structure"  
809  A  GLN   68  HB3     1.738  0.004  2  "No matching atoms found in structure"  
810  A  GLN   68  HB2     1.603   0.01  2  "No matching atoms found in structure"  
811  A  ILE   81  HG13    0.786  0.011  1  "No matching atoms found in structure"  
812  A  HIS   78  CD2   130.741      .  1  "No matching atoms found in structure"  
813  A  ILE   81  HB      1.536   0.01  1  "No matching atoms found in structure"  
814  A  ILE   81  HG12    0.786  0.011  1  "No matching atoms found in structure"  
815  A  HIS   82  HD2     6.516  0.008  1  "No matching atoms found in structure"  
816  A  HIS   82  CD2   130.548  0.028  1  "No matching atoms found in structure"  
817  A  HIS   82  HE1     7.882  0.011  1  "No matching atoms found in structure"  
818  A  HIS   82  CE1   142.545   0.07  1  "No matching atoms found in structure"  
819  A  HIS   78  HE1     7.900  0.003  1  "No matching atoms found in structure"  
820  A  HIS   78  CE1   142.456      .  1  "No matching atoms found in structure"  
821  A  PHE   69  CD1   135.014  0.033  3  "No matching atoms found in structure"  
822  A  PHE   69  CD2   135.014  0.033  3  "No matching atoms found in structure"  
823  A  ARG  105  HD3     3.062  0.008  1  "No matching atoms found in structure"  
824  A  ARG  105  HD2     3.062  0.008  1  "No matching atoms found in structure"  
825  A  ARG  105  HA      3.815  0.009  1  "No matching atoms found in structure"  
826  A  LEU  103  HA      2.975  0.008  1  "No matching atoms found in structure"  
827  A  PHE   97  HB2     2.596  0.009  2  "No matching atoms found in structure"  
828  A  GLN   96  HG2     2.189  0.012  1  "No matching atoms found in structure"  
829  A  GLN   96  HG3     2.189  0.012  1  "No matching atoms found in structure"  
830  A  GLN   96  HB3     2.034  0.014  1  "No matching atoms found in structure"  
831  A  GLN   96  HB2     2.034  0.014  1  "No matching atoms found in structure"  
832  A  HIS   92  HB3     2.205  0.013  2  "No matching atoms found in structure"  
833  A  ILE   91  HA      3.915   0.01  1  "No matching atoms found in structure"  
834  A  ILE   91  HB      1.700  0.007  1  "No matching atoms found in structure"  
835  A  ILE   91  HG12    0.957  0.012  1  "No matching atoms found in structure"  
836  A  ILE   91  HG13    0.957  0.012  1  "No matching atoms found in structure"  
837  A  ILE   91  HG21    0.625  0.009  1  "No matching atoms found in structure"  
838  A  ILE   91  HG22    0.625  0.009  1  "No matching atoms found in structure"  
839  A  ILE   91  HG23    0.625  0.009  1  "No matching atoms found in structure"  
840  A  SER   18  HA      3.871  0.008  1  "No matching atoms found in structure"  
841  A  SER   18  HB3     3.799  0.013  1  "No matching atoms found in structure"  
842  A  SER   18  HB2     3.799  0.013  1  "No matching atoms found in structure"  
843  A  SER   14  HA      4.491  0.006  1  "No matching atoms found in structure"  
844  A  SER   14  HB2     3.940  0.013  1  "No matching atoms found in structure"  
845  A  SER   14  HB3     3.940  0.013  1  "No matching atoms found in structure"  
846  A  PRO   16  HD3     3.595  0.015  2  "No matching atoms found in structure"  
847  A  PRO   16  HD2     3.032  0.014  2  "No matching atoms found in structure"  
848  A  PRO   16  HB3     1.864  0.009  1  "No matching atoms found in structure"  
849  A  PRO   16  HB2     1.864  0.009  1  "No matching atoms found in structure"  
850  A  SER   12  HA      4.896  0.009  1  "No matching atoms found in structure"  
851  A  SER   12  HB2     3.486  0.009  1  "No matching atoms found in structure"  
852  A  SER   12  HB3     3.486  0.009  1  "No matching atoms found in structure"  
853  A  PRO   87  HA      4.165  0.011  1  "No matching atoms found in structure"  
854  A  LYS   19  HB3     1.593  0.014  2  "No matching atoms found in structure"  
855  A  LYS   19  HB2     1.396  0.014  2  "No matching atoms found in structure"  
856  A  LYS   19  HG2     0.997  0.008  1  "No matching atoms found in structure"  
857  A  LYS   19  HG3     0.997  0.008  1  "No matching atoms found in structure"  
858  A  HIS   26  HA      4.467      .  1  "No matching atoms found in structure"  
859  A  LYS   86  HA      4.391  0.012  1  "No matching atoms found in structure"  
860  A  LYS   86  HB2     1.440  0.013  1  "No matching atoms found in structure"  
861  A  LYS   86  HB3     1.440  0.013  1  "No matching atoms found in structure"  
862  A  LYS   86  HD3     1.207  0.014  1  "No matching atoms found in structure"  
863  A  LYS   86  HD2     1.207  0.014  1  "No matching atoms found in structure"  
864  A  LYS   86  HG2     1.069  0.007  1  "No matching atoms found in structure"  
865  A  LYS   86  HG3     1.069  0.007  1  "No matching atoms found in structure"  
866  A  TYR   88  HD1     6.883   0.01  3  "No matching atoms found in structure"  
867  A  TYR   88  HD2     6.883   0.01  3  "No matching atoms found in structure"  
868  A  HIS   92  HB2     1.768  0.013  2  "No matching atoms found in structure"  
869  A  ARG  108  HD2     3.048  0.007  1  "No matching atoms found in structure"  
870  A  ARG  108  HD3     3.048  0.007  1  "No matching atoms found in structure"  
871  A  TYR    8  HB2     1.752   0.01  2  "No matching atoms found in structure"  
872  A  SER   18  CB     61.877  0.016  1  "No matching atoms found in structure"  
873  A  LYS   19  HE3     2.793  0.012  1  "No matching atoms found in structure"  
874  A  LYS   19  HE2     2.793  0.012  1  "No matching atoms found in structure"  
875  A  TYR    4  CD1   135.925  0.069  3  "No matching atoms found in structure"  
876  A  TYR    4  CD2   135.925  0.069  3  "No matching atoms found in structure"  
877  A  TYR    4  HE1     6.702  0.001  3  "No matching atoms found in structure"  
878  A  TYR    4  HE2     6.702  0.001  3  "No matching atoms found in structure"  
879  A  TYR    8  CD1   135.572  0.061  3  "No matching atoms found in structure"  
880  A  TYR    8  CD2   135.572  0.061  3  "No matching atoms found in structure"  
881  A  HIS   26  CD2   130.448  0.078  1  "No matching atoms found in structure"  
882  A  HIS   26  HB3     2.656  0.012  2  "No matching atoms found in structure"  
883  A  HIS   26  HB2     2.480  0.006  2  "No matching atoms found in structure"  
884  A  HIS   22  HD2     6.966  0.004  1  "No matching atoms found in structure"  
885  A  HIS   22  CD2   130.823    0.0  1  "No matching atoms found in structure"  
886  A  HIS   26  HE1     7.922  0.006  1  "No matching atoms found in structure"  
887  A  HIS   26  CE1   142.848  0.001  1  "No matching atoms found in structure"  
888  A  ILE   91  HD11    0.749  0.007  1  "No matching atoms found in structure"  
889  A  ILE   91  HD12    0.749  0.007  1  "No matching atoms found in structure"  
890  A  ILE   91  HD13    0.749  0.007  1  "No matching atoms found in structure"  
891  A  HIS  106  HD2     6.681  0.004  1  "No matching atoms found in structure"  
892  A  TYR   88  CD1   136.067  0.026  3  "No matching atoms found in structure"  
893  A  TYR   88  CD2   136.067  0.026  3  "No matching atoms found in structure"  
894  A  PHE   97  CD1   135.172  0.041  3  "No matching atoms found in structure"  
895  A  PHE   97  CD2   135.172  0.041  3  "No matching atoms found in structure"  
896  A  PHE   97  HZ      5.869  0.005  1  "No matching atoms found in structure"  
897  A  TYR    8  HE1     6.649  0.004  3  "No matching atoms found in structure"  
898  A  TYR    8  HE2     6.649  0.004  3  "No matching atoms found in structure"  
899  A  TYR    8  CE1   121.095  0.057  3  "No matching atoms found in structure"  
900  A  TYR    8  CE2   121.095  0.057  3  "No matching atoms found in structure"  
901  A  HIS   26  HD2     6.443  0.006  1  "No matching atoms found in structure"  
902  A  PRO   16  HA      3.556  0.011  1  "No matching atoms found in structure"  
903  A  LYS   19  HA      2.613  0.007  1  "No matching atoms found in structure"  
904  A  PHE   13  CD1   134.878   0.06  3  "No matching atoms found in structure"  
905  A  PHE   13  CD2   134.878   0.06  3  "No matching atoms found in structure"  
906  A  PHE   97  HE1     6.665  0.002  3  "No matching atoms found in structure"  
907  A  PHE   97  HE2     6.665  0.002  3  "No matching atoms found in structure"  
908  A  PHE   97  CZ    131.433  0.017  1  "No matching atoms found in structure"  
909  A  HIS  106  HE1     7.878      .  1  "No matching atoms found in structure"  
910  A  PHE   13  CZ    131.642    0.0  1  "No matching atoms found in structure"  
911  A  PHE   13  HZ      5.872  0.004  1  "No matching atoms found in structure"  
912  A  HIS  110  CD2   131.677  0.047  1  "No matching atoms found in structure"  
913  A  HIS  110  HD2     6.574  0.009  1  "No matching atoms found in structure"  
914  A  HIS  110  HE1     7.913      .  1  "No matching atoms found in structure"  
915  A  PHE   69  CZ    131.475      .  1  "No matching atoms found in structure"  
916  A  PHE   69  HZ      5.878  0.001  1  "No matching atoms found in structure"  
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
  1  A  GLY   10  0.037  
  2  A  PRO  100  0.028  
  3  A  GLY  101  0.022  
  4  A  ALA  102  0.018  
  5  A  LEU  103  0.015  
  6  A  GLN  104  0.015  
  7  A  ARG  105  0.014  
  8  A  HIS  106  0.015  
  9  A  VAL  107  0.017  
 10  A  ARG  108  0.021  
 11  A  ILE  109  0.029  
 12  A  ARG   11  0.035  
 13  A  HIS  110  0.037  
 14  A  THR  111  0.045  
 15  A  GLY  112  0.047  
 16  A  SER   12  0.039  
 17  A  PHE   13  0.046  
 18  A  SER   14  0.045  
 19  A  ASP   15  0.036  
 20  A  PRO   16  0.023  
 21  A  THR   17  0.015  
 22  A  SER   18  0.013  
 23  A  LYS   19  0.012  
 24  A  MET   20  0.013  
 25  A  ARG   21  0.014  
 26  A  HIS   22  0.014  
 27  A  LEU   23  0.017  
 28  A  GLU   24  0.022  
 29  A  THR   25  0.030  
 30  A  HIS   26  0.039  
 31  A  PRO    3  0.052  
 32  A  LYS   33  0.046  
 33  A  CYS   34  0.062  
 34  A  PRO   35  0.072  
 35  A  HIS   36  0.064  
 36  A  CYS   37  0.044  
 37  A  ASP   38  0.028  
 38  A  LYS   39  0.027  
 39  A  TYR    4  0.044  
 40  A  LYS   40  0.027  
 41  A  PHE   41  0.028  
 42  A  ASN   42  0.027  
 43  A  GLN   43  0.026  
 44  A  VAL   44  0.024  
 45  A  GLY   45  0.022  
 46  A  ASN   46  0.019  
 47  A  LEU   47  0.016  
 48  A  LYS   48  0.015  
 49  A  ALA   49  0.015  
 50  A  GLN    5  0.032  
 51  A  HIS   50  0.016  
 52  A  LEU   51  0.017  
 53  A  LYS   52  0.021  
 54  A  ILE   53  0.030  
 55  A  HIS   54  0.043  
 56  A  ILE   55  0.053  
 57  A  ALA   56  0.056  
 58  A  ASP   57  0.060  
 59  A  GLY   58  0.067  
 60  A  PRO   59  0.063  
 61  A  CYS    6  0.024  
 62  A  LEU   60  0.048  
 63  A  LYS   61  0.030  
 64  A  CYS   62  0.025  
 65  A  ARG   63  0.027  
 66  A  GLU   64  0.030  
 67  A  CYS   65  0.031  
 68  A  GLY   66  0.031  
 69  A  LYS   67  0.031  
 70  A  GLN   68  0.037  
 71  A  PHE   69  0.039  
 72  A  ASP    7  0.023  
 73  A  THR   70  0.036  
 74  A  THR   71  0.027  
 75  A  SER   72  0.022  
 76  A  GLY   73  0.020  
 77  A  ASN   74  0.018  
 78  A  LEU   75  0.015  
 79  A  LYS   76  0.014  
 80  A  ARG   77  0.014  
 81  A  HIS   78  0.014  
 82  A  LEU   79  0.016  
 83  A  TYR    8  0.029  
 84  A  ARG   80  0.020  
 85  A  ILE   81  0.029  
 86  A  HIS   82  0.046  
 87  A  SER   83  0.068  
 88  A  GLY   84  0.093  
 89  A  GLU   85  0.109  
 90  A  LYS   86  0.116  
 91  A  PRO   87  0.094  
 92  A  TYR   88  0.068  
 93  A  VAL   89  0.041  
 94  A  CYS    9  0.034  
 95  A  CYS   90  0.032  
 96  A  ILE   91  0.030  
 97  A  HIS   92  0.026  
 98  A  CYS   93  0.026  
 99  A  GLN   94  0.024  
100  A  ARG   95  0.027  
101  A  GLN   96  0.032  
102  A  PHE   97  0.041  
103  A  ALA   98  0.042  
104  A  ASP   99  0.038  
#
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  0.16   0.15   94  
2  CA  0.50  0.16  -0.16  103  
3  CB  0.50  0.17   0.25   95  
4  N   0.50  0.77   1.02   95  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1    0   3    3  stereomethyl  stereomethyl  
 2  251  81  332  overall       Total         
 3  102  17  119  backbone      Total         
 4  134  47  181  sidechain     Total         
 5   15  17   32  aromatic      Total         
 6  133  49  182  overall       H             
 7   38  10   48  backbone      H             
 8   87  30  117  sidechain     H             
 9    8   9   17  aromatic      H             
10   97  19  116  overall       C             
11   43   5   48  backbone      C             
12   47  10   57  sidechain     C             
13    7   4   11  aromatic      C             
14   21  13   34  overall       N             
15   21   2   23  backbone      N             
16    0   7    7  sidechain     N             
17    0   4    4  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  270  132  402  overall       Total         
 3  109   36  145  backbone      Total         
 4  146   71  217  sidechain     Total         
 5   15   25   40  aromatic      Total         
 6  144   75  219  overall       H             
 7   41   18   59  backbone      H             
 8   95   44  139  sidechain     H             
 9    8   13   21  aromatic      H             
10  104   36  140  overall       C             
11   46   12   58  backbone      C             
12   51   18   69  sidechain     C             
13    7    6   13  aromatic      C             
14   22   21   43  overall       N             
15   22    6   28  backbone      N             
16    0    9    9  sidechain     N             
17    0    6    6  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    265  
 2  "Intra-residue (|i-j|=0)"                      133  
 3  "Sequential (|i-j|=1)"                          76  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            54  
 5  "Long range (|i-j|>=5)"                          2  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 0  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"               51  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             2.8  
12  "Number of long range restraints per residue"  0.0  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                 133   50.2  0  0.0  0.0  1  0.4   0.8  
 2  Intra-residue  BackboneBackbone     33   12.5  0  0.0  0.0  0  0.0   0.0  
 3  Intra-residue  BackboneSidechain    65   24.5  0  0.0  0.0  1  0.4   1.5  
 4  Intra-residue  SidechainSidechain   35   13.2  0  0.0  0.0  0  0.0   0.0  
 5  Sequential     all                  76   28.7  0  0.0  0.0  1  0.4   1.3  
 6  Sequential     BackboneBackbone     48   18.1  0  0.0  0.0  1  0.4   2.1  
 7  Sequential     BackboneSidechain    23    8.7  0  0.0  0.0  0  0.0   0.0  
 8  Sequential     SidechainSidechain    5    1.9  0  0.0  0.0  0  0.0   0.0  
 9  MediumRange    all                  54   20.4  0  0.0  0.0  5  1.9   9.3  
10  MediumRange    BackboneBackbone     39   14.7  0  0.0  0.0  2  0.8   5.1  
11  MediumRange    BackboneSidechain     8    3.0  0  0.0  0.0  0  0.0   0.0  
12  MediumRange    SidechainSidechain    7    2.6  0  0.0  0.0  3  1.1  42.9  
13  LongRange      all                   2    0.8  0  0.0  0.0  0  0.0   0.0  
14  LongRange      BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0   0.0  
15  LongRange      BackboneSidechain     0    0.0  0  0.0  0.0  0  0.0   0.0  
16  LongRange      SidechainSidechain    2    0.8  0  0.0  0.0  0  0.0   0.0  
17  InterChain     all                   0    0.0  0  0.0  0.0  0  0.0   0.0  
18  InterChain     BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0   0.0  
19  InterChain     BackboneSidechain     0    0.0  0  0.0  0.0  0  0.0   0.0  
20  InterChain     SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0   0.0  
21  HydrogenBond   all                   0    0.0  0  0.0  0.0  0  0.0   0.0  
22  DisulfideBond  all                   0    0.0  0  0.0  0.0  0  0.0   0.0  
23  Total          all                 265  100.0  0  0.0  0.0  7  2.6   2.6  
24  Total          BackboneBackbone    120   45.3  0  0.0  0.0  3  1.1   2.5  
25  Total          BackboneSidechain    96   36.2  0  0.0  0.0  1  0.4   1.0  
26  Total          SidechainSidechain   49   18.5  0  0.0  0.0  3  1.1   6.1  
#
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  0.29  0.29  0.29  0.00  
 3   3  0.69  0.41  0.41  0.28  
 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  0.36  0.36  0.36  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.12  0.11  0.11  0.00  
10  10  0.57  0.57  0.57  0.00  
11  11  0.11  0.11  0.11  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.95  0.95  0.95  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.12  0.12  0.12  0.00  
17  17  0.54  0.54  0.54  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        1  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         1  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        2  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         2  
 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  1  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         1  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        3  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         3  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        1  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         1  
 61  11  intraresidue  0  
 62  11  sequential    1  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         1  
 67  12  intraresidue  0  
 68  12  sequential    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        1  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         1  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        1  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         1  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        1  
100  17  long          0  
101  17  interchain    0  
102  17  total         1  
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  1  
  2   1  sequential    1  
  3   1  medium        3  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         5  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        1  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         1  
 13   3  intraresidue  0  
 14   3  sequential    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        1  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         1  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.1  0.3  
2  0.2-0.5  0.4  0.1  
3  >0.5     0.9  0.2  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
1   53  1  .  A  41  PHE  ?     1  A  41  HZ  A  .  39  LYS  39  A  1  ?     HE2  5  0.61  0.57  0.21  
2  113  1  .  A  51  LEU  ?     1  A  51  H   A  .  48  LYS  48  A  1  ?     HA   2  0.12  0.12  0.01  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
 1   53  1  402  400  HZ   HE2   0.95  
 2   53  1   72   70  HZ   HE2   0.69  
 3   53  1  282  280  HZ   HE2   0.57  
 4   53  1  492  490  HZ   HE2   0.54  
 5  174  1  206  206  H    HG12  0.36  
 6   53  1   42   40  HZ   HE2   0.29  
 7  113  1   82   79  H    HA    0.13  
 8   45  1  471  474  HB3  HG21  0.12  
 9   45  1  471  474  HB3  HG22  0.12  
10   45  1  471  474  HB3  HG23  0.12  
11   41  1  261  258  HB3  HG    0.12  
12   70  1  327  328  H    HA    0.11  
13  120  1  264  268  HA   H     0.11  
14  113  1  262  259  H    HA    0.11  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  PSI    25   49.0  0  0.0  0.0  13  25.5  52.0  
2  PHI    25   49.0  0  0.0  0.0   9  17.6  36.0  
3  CHI1    1    2.0  0  0.0  0.0   0   0.0   0.0  
4  Total  51  100.0  0  0.0  0.0  22  43.1  43.1  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  5.60  3.02  2.20  1.76  
 2   2  2.80  2.10  2.00  0.54  
 3   3  3.10  1.85  1.45  0.72  
 4   4  2.80  1.95  1.95  0.85  
 5   5  2.10  1.73  1.60  0.26  
 6   6  1.60  1.45  1.45  0.15  
 7   7  4.10  3.30  3.30  0.65  
 8   8  1.90  1.90  1.90  0.00  
 9   9  4.10  2.37  1.90  1.27  
10  10  3.80  2.58  2.30  0.76  
11  11  1.20  1.13  1.10  0.05  
12  12  4.30  3.20  3.80  1.22  
13  13  2.10  2.05  2.05  0.05  
14  14  3.20  2.03  1.60  0.83  
15  15  1.40  1.23  1.20  0.12  
16  16  2.60  2.43  2.40  0.12  
17  17  1.70  1.57  1.60  0.12  
18  18  3.00  2.17  2.25  0.64  
19  19  1.40  1.40  1.40  0.00  
20  20  1.60  1.45  1.45  0.15  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PSI    2  
 2   1  PHI    3  
 3   1  CHI1   0  
 4   1  Total  5  
 5   2  PSI    1  
 6   2  PHI    2  
 7   2  CHI1   0  
 8   2  Total  3  
 9   3  PSI    4  
10   3  PHI    0  
11   3  CHI1   0  
12   3  Total  4  
13   4  PSI    1  
14   4  PHI    1  
15   4  CHI1   0  
16   4  Total  2  
17   5  PSI    0  
18   5  PHI    3  
19   5  CHI1   0  
20   5  Total  3  
21   6  PSI    1  
22   6  PHI    1  
23   6  CHI1   0  
24   6  Total  2  
25   7  PSI    1  
26   7  PHI    2  
27   7  CHI1   0  
28   7  Total  3  
29   8  PSI    1  
30   8  PHI    0  
31   8  CHI1   0  
32   8  Total  1  
33   9  PSI    2  
34   9  PHI    1  
35   9  CHI1   0  
36   9  Total  3  
37  10  PSI    2  
38  10  PHI    2  
39  10  CHI1   0  
40  10  Total  4  
41  11  PSI    2  
42  11  PHI    1  
43  11  CHI1   0  
44  11  Total  3  
45  12  PSI    2  
46  12  PHI    1  
47  12  CHI1   0  
48  12  Total  3  
49  13  PSI    0  
50  13  PHI    2  
51  13  CHI1   0  
52  13  Total  2  
53  14  PSI    1  
54  14  PHI    2  
55  14  CHI1   0  
56  14  Total  3  
57  15  PSI    2  
58  15  PHI    1  
59  15  CHI1   0  
60  15  Total  3  
61  16  PSI    2  
62  16  PHI    1  
63  16  CHI1   0  
64  16  Total  3  
65  17  PSI    2  
66  17  PHI    1  
67  17  CHI1   0  
68  17  Total  3  
69  18  PSI    2  
70  18  PHI    2  
71  18  CHI1   0  
72  18  Total  4  
73  19  PSI    2  
74  19  PHI    0  
75  19  CHI1   0  
76  19  Total  2  
77  20  PSI    1  
78  20  PHI    1  
79  20  CHI1   0  
80  20  Total  2  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PSI     6  
 2   1  PHI     4  
 3   1  CHI1    0  
 4   1  Total  10  
 5   2  PSI     3  
 6   2  PHI     3  
 7   2  CHI1    0  
 8   2  Total   6  
 9   3  PSI     1  
10   3  PHI     0  
11   3  CHI1    0  
12   3  Total   1  
13   4  PSI     0  
14   4  PHI     1  
15   4  CHI1    0  
16   4  Total   1  
17   5  PSI     2  
18   5  PHI     0  
19   5  CHI1    0  
20   5  Total   2  
21   6  PSI     1  
22   6  PHI     0  
23   6  CHI1    0  
24   6  Total   1  
25   7  PSI     0  
26   7  PHI     0  
27   7  CHI1    0  
28   7  Total   0  
29   8  PSI     0  
30   8  PHI     0  
31   8  CHI1    0  
32   8  Total   0  
33   9  PSI     0  
34   9  PHI     0  
35   9  CHI1    0  
36   9  Total   0  
37  10  PSI     0  
38  10  PHI     0  
39  10  CHI1    0  
40  10  Total   0  
41  11  PSI     0  
42  11  PHI     0  
43  11  CHI1    0  
44  11  Total   0  
45  12  PSI     0  
46  12  PHI     0  
47  12  CHI1    0  
48  12  Total   0  
49  13  PSI     0  
50  13  PHI     1  
51  13  CHI1    0  
52  13  Total   1  
53  14  PSI     0  
54  14  PHI     0  
55  14  CHI1    0  
56  14  Total   0  
57  15  PSI     0  
58  15  PHI     0  
59  15  CHI1    0  
60  15  Total   0  
61  16  PSI     0  
62  16  PHI     0  
63  16  CHI1    0  
64  16  Total   0  
65  17  PSI     0  
66  17  PHI     0  
67  17  CHI1    0  
68  17  Total   0  
69  18  PSI     0  
70  18  PHI     0  
71  18  CHI1    0  
72  18  Total   0  
73  19  PSI     0  
74  19  PHI     0  
75  19  CHI1    0  
76  19  Total   0  
77  20  PSI     0  
78  20  PHI     0  
79  20  CHI1    0  
80  20  Total   0  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   5.6   2.9   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
loop_
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation
 1  26  1  .  A  44  VAL  ?     1  A  44  C  A  .  45  GLY  45  A  1  ?     N   .  A  45  GLY  ?     1  A  45  CA  A  .  45  GLY  45  A  1  ?     C  13  2.48  2.40  0.91  
 2  27  1  .  A  45  GLY  ?     1  A  45  N  A  .  45  GLY  45  A  1  ?     CA  .  A  45  GLY  ?     1  A  45  C   A  .  46  ASN  46  A  1  ?     N   6  2.47  2.30  0.86  
 3  25  1  .  A  44  VAL  ?     1  A  44  N  A  .  44  VAL  44  A  1  ?     CA  .  A  44  VAL  ?     1  A  44  C   A  .  45  GLY  45  A  1  ?     N   5  2.24  2.20  0.93  
 4   6  1  .  A  33  LYS  ?     1  A  33  N  A  .  33  LYS  33  A  1  ?     CA  .  A  33  LYS  ?     1  A  33  C   A  .  34  CYS  34  A  1  ?     N   5  1.38  1.40  0.17  
 5  48  1  .  A  55  ILE  ?     1  A  55  C  A  .  56  ALA  56  A  1  ?     N   .  A  56  ALA  ?     1  A  56  CA  A  .  56  ALA  56  A  1  ?     C   4  3.38  3.20  1.59  
 6  29  1  .  A  46  ASN  ?     1  A  46  N  A  .  46  ASN  46  A  1  ?     CA  .  A  46  ASN  ?     1  A  46  C   A  .  47  LEU  47  A  1  ?     N   3  1.23  1.20  0.12  
 7  47  1  .  A  55  ILE  ?     1  A  55  N  A  .  55  ILE  55  A  1  ?     CA  .  A  55  ILE  ?     1  A  55  C   A  .  56  ALA  56  A  1  ?     N   2  3.95  3.95  0.65  
 8  13  1  .  A  38  ASP  ?     1  A  38  N  A  .  38  ASP  38  A  1  ?     CA  .  A  38  ASP  ?     1  A  38  C   A  .  39  LYS  39  A  1  ?     N   2  2.25  2.25  0.85  
 9  10  1  .  A  35  PRO  ?     1  A  35  C  A  .  36  HIS  36  A  1  ?     N   .  A  36  HIS  ?     1  A  36  CA  A  .  36  HIS  36  A  1  ?     C   2  1.70  1.70  0.20  
10  11  1  .  A  36  HIS  ?     1  A  36  N  A  .  36  HIS  36  A  1  ?     CA  .  A  36  HIS  ?     1  A  36  C   A  .  37  CYS  37  A  1  ?     N   2  1.70  1.70  0.30  
11  28  1  .  A  45  GLY  ?     1  A  45  C  A  .  46  ASN  46  A  1  ?     N   .  A  46  ASN  ?     1  A  46  CA  A  .  46  ASN  46  A  1  ?     C   2  1.50  1.50  0.40  
12   5  1  .  A  32  HIS  ?     1  A  32  C  A  .  33  LYS  33  A  1  ?     N   .  A  33  LYS  ?     1  A  33  CA  A  .  33  LYS  33  A  1  ?     C   2  1.45  1.45  0.15  
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
 1  48  1   26   27   27   27  C  N   CA  C  5.60  
 2  47  1   26   26   26   27  N  CA  C   N  4.60  
 3  26  1  345  346  346  346  C  N   CA  C  4.30  
 4  48  1  206  207  207  207  C  N   CA  C  4.10  
 5  27  1  256  256  256  257  N  CA  C   N  4.10  
 6  26  1  285  286  286  286  C  N   CA  C  3.80  
 7  25  1  345  345  345  346  N  CA  C   N  3.80  
 8  47  1  206  206  206  207  N  CA  C   N  3.30  
 9  26  1  405  406  406  406  C  N   CA  C  3.20  
10  13  1   69   69   69   70  N  CA  C   N  3.10  
11  26  1  525  526  526  526  C  N   CA  C  3.00  
12  27  1  106  106  106  107  N  CA  C   N  2.80  
13  26  1   45   46   46   46  C  N   CA  C  2.80  
14  27  1  466  466  466  467  N  CA  C   N  2.60  
15  25  1  285  285  285  286  N  CA  C   N  2.60  
16  26  1  195  196  196  196  C  N   CA  C  2.50  
17  26  1  465  466  466  466  C  N   CA  C  2.40  
18  49  1  477  477  477  478  N  CA  C   N  2.30  
19  48  1  536  537  537  537  C  N   CA  C  2.30  
20  26  1   15   16   16   16  C  N   CA  C  2.20  
21  25  1  525  525  525  526  N  CA  C   N  2.20  
22   3  1  362  363  363  363  C  N   CA  C  2.10  
23  26  1  135  136  136  136  C  N   CA  C  2.10  
24  27  1   46   46   46   47  N  CA  C   N  2.00  
25  26  1  375  376  376  376  C  N   CA  C  2.00  
26  11  1  277  277  277  278  N  CA  C   N  2.00  
27  28  1  256  257  257  257  C  N   CA  C  1.90  
28  27  1  226  226  226  227  N  CA  C   N  1.90  
29  10  1  276  277  277  277  C  N   CA  C  1.90  
30  26  1  495  496  496  496  C  N   CA  C  1.70  
31   9  1  395  396  396  396  C  N   CA  C  1.60  
32   8  1  485  485  485  486  N  CA  C   N  1.60  
33   6  1  154  154  154  155  N  CA  C   N  1.60  
34   5  1  573  574  574  574  C  N   CA  C  1.60  
35  24  1  134  135  135  135  C  N   CA  C  1.60  
36   6  1   64   64   64   65  N  CA  C   N  1.50  
37  48  1  146  147  147  147  C  N   CA  C  1.50  
38   4  1  333  333  333  334  N  CA  C   N  1.50  
39  10  1   36   37   37   37  C  N   CA  C  1.50  
40   6  1  484  484  484  485  N  CA  C   N  1.40  
41  29  1   77   77   77   78  N  CA  C   N  1.40  
42  27  1   76   76   76   77  N  CA  C   N  1.40  
43  25  1  555  555  555  556  N  CA  C   N  1.40  
44  23  1   14   14   14   15  N  CA  C   N  1.40  
45  13  1  429  429  429  430  N  CA  C   N  1.40  
46  11  1  547  547  547  548  N  CA  C   N  1.40  
47   6  1  394  394  394  395  N  CA  C   N  1.30  
48   5  1  153  154  154  154  C  N   CA  C  1.30  
49  19  1  582  582  582  583  N  CA  C   N  1.30  
50  12  1    8    9    9    9  C  N   CA  C  1.30  
51  51  1  538  538  538  539  N  CA  C   N  1.20  
52  29  1  437  437  437  438  N  CA  C   N  1.20  
53  25  1  315  315  315  316  N  CA  C   N  1.20  
54   6  1  304  304  304  305  N  CA  C   N  1.10  
55  29  1  257  257  257  258  N  CA  C   N  1.10  
56  28  1  106  107  107  107  C  N   CA  C  1.10  
57  26  1  315  316  316  316  C  N   CA  C  1.10  
58  26  1  435  436  436  436  C  N   CA  C  1.10  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  mogul                  unknown                                                               Y  
3  coreclust              2.33                                                                  Y  
4  chemicalshiftanalysis  2.33                                                                  Y  
5  panav                  "Wang et al. (2010)"                                                  Y  
6  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
7  restraintsanalysis     v1.2                                                                  Y  
8  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
