NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
381303 | 1isk | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_1isk save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 20 _NOE_completeness_stats.Residue_count 250 _NOE_completeness_stats.Total_atom_count 3748 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 1264 _NOE_completeness_stats.Use_intra_residue_restraints no _NOE_completeness_stats.Redundancy_threshold_pct 5.0 _NOE_completeness_stats.Distance_averaging_power 1.00 _NOE_completeness_stats.Completeness_cutoff 4.00 _NOE_completeness_stats.Completeness_cumulative_pct 31.7 _NOE_completeness_stats.Constraint_unexpanded_count 1573 _NOE_completeness_stats.Constraint_count 1573 _NOE_completeness_stats.Constraint_exp_unfiltered_count 3469 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 278 _NOE_completeness_stats.Constraint_intraresidue_count 40 _NOE_completeness_stats.Constraint_surplus_count 12 _NOE_completeness_stats.Constraint_observed_count 1243 _NOE_completeness_stats.Constraint_expected_count 3457 _NOE_completeness_stats.Constraint_matched_count 1097 _NOE_completeness_stats.Constraint_unmatched_count 146 _NOE_completeness_stats.Constraint_exp_nonobs_count 2360 _NOE_completeness_stats.Details ; A detailed methodology description is available at: http://nmr.cmbi.ru.nl/~jd/wattos/doc/Wattos/Soup/Constraint/dc_completeness.html Please note that the contributions in ambiguous restraints are considered separate 'restraints' for the sets defined below. The cut off for all statistics except those in the by-shell table is given below by the above tag: _NOE_completeness_stats.Completeness_cutoff Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * Number of models * 5 * Number of residues * 6 * Number of atoms * 7 * Standard set name of observable atom definitions see: Doreleijers et al., J.Biomol.NMR 14, 123-132 (1999). * 8 * Observable atom(group)s * 9 * Include intra residue restraints * 10 * Surplus threshold for determining redundant restraints * 11 * Power for averaging the distance over models * 12 * Up to what distance are NOEs expected * 13 * Cumulative completeness percentage * 14 * Number of unexpanded restraints in restraint list. * 15 * Number of restraints in restraint list. Set U * 16 * Expected restraints based on criteria in list. Set V Set V differs from set B only if intra residue restraints are analyzed. * 17 * Exceptional restraints, i.e. with an unknown atom.Set E * 18 * Not observable NOEs with e.g. hydroxyl Ser HG. Set O Even though restraints with these atom types might have been observed they are excluded from the analysis. * 19 * Intra-residue restraints if not to be analyzed. Set I * 20 * Surplus like double restraints. Set S * 21 * Observed restraints. Set A = U - (E u O u I u S) * 22 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 23 * Observed restraints matched to the expected. Set M = A n B * 24 * Observed restraints that were not expected. Set C = A - M * 25 * Expected restraints that were not observed. Set D = B - M * 26 * This tag Description of the tags in the class table: * 1 * Class of restraint. Note that 'medium-range' involves (2<=i<=4) contacts. Possible values are: intraresidue,sequential,medium-range,long-range, and intermolecular. * 2 * Observed restraints. Set A = U - (E u O u I u S) * 3 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 4 * Observed restraints matched to the expected. Set M = A n B * 5 * Completeness percentage * 6 * Standard deviation from the average over the classes. * 7 * Extra information * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the shell table. The first row shows the lower limit of the shells requested and The last row shows the total number of restraints over the shells. * 1 * Description of the content of the row: edges, shell, or sums. The value determines the meaning of the values to the nine 'Matched_shell_x' tags among others. * 2 * Lower limit of shell of expected restraints. * 3 * Upper limit of shell of expected restraints. * 4 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 5 * Observed restraints matched to the expected. Set M = A n B * 6 * Matched restraints with experimental distance in shell 1 * 7 * Matched restraints with experimental distance in shell 2 * 8 * Matched restraints with experimental distance in shell 3 * 9 * Matched restraints with experimental distance in shell 4 * 10 * Matched restraints with experimental distance in shell 5 * 11 * Matched restraints with experimental distance in shell 6 * 12 * Matched restraints with experimental distance in shell 7 * 13 * Matched restraints with experimental distance in shell 8 * 14 * Matched restraints with experimental distance in shell 9 * 15 * Matched restraints overflowing the last shell * 16 * Completeness percentage for this shell * 17 * Completeness percentage up to upper limit of this shell * 18 * Administrative tag * 19 * Administrative tag Description of the tags in the residue table: * 1 * Chain identifier * 2 * Residue number * 3 * Residue name * 4 * Observable atom(group)s for this residue. * 5 * Observed restraints. Set A = U - (E u O u I u S) * 6 * Expected restraints based on criteria as in A. Set B = V - (I u S) * 7 * Observed restraints matched to the expected. Set M = A n B * 8 * Completeness percentage * 9 * Standard deviation from the average over the residues. * 10 * Extra information * 11 * Administrative tag * 12 * Administrative tag ; loop_ _NOE_completeness_class.Type _NOE_completeness_class.Constraint_observed_count _NOE_completeness_class.Constraint_expected_count _NOE_completeness_class.Constraint_matched_count _NOE_completeness_class.Completeness_cumulative_pct _NOE_completeness_class.Std_dev _NOE_completeness_class.Details intraresidue 0 0 0 . . "no intras" sequential 298 1030 294 28.5 -0.4 . medium-range 328 660 252 38.2 1.2 >sigma long-range 573 1631 516 31.6 0.1 . intermolecular 44 136 35 25.7 -0.9 . stop_ loop_ _NOE_completeness_shell.Type _NOE_completeness_shell.Shell_start _NOE_completeness_shell.Shell_end _NOE_completeness_shell.Constraint_expected_count _NOE_completeness_shell.Constraint_matched_count _NOE_completeness_shell.Matched_shell_1 _NOE_completeness_shell.Matched_shell_2 _NOE_completeness_shell.Matched_shell_3 _NOE_completeness_shell.Matched_shell_4 _NOE_completeness_shell.Matched_shell_5 _NOE_completeness_shell.Matched_shell_6 _NOE_completeness_shell.Matched_shell_7 _NOE_completeness_shell.Matched_shell_8 _NOE_completeness_shell.Matched_shell_9 _NOE_completeness_shell.Matched_shell_overflow _NOE_completeness_shell.Completeness_shell_pct _NOE_completeness_shell.Completeness_cumulative_pct edges . . . . 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 . . . . shell 0.00 2.00 70 51 0 11 4 18 8 2 0 7 . 1 72.9 72.9 shell 2.00 2.50 363 293 0 143 46 35 22 4 13 21 . 9 80.7 79.4 shell 2.50 3.00 649 340 0 104 24 77 24 10 37 24 . 40 52.4 63.2 shell 3.00 3.50 936 248 0 0 32 10 13 6 85 66 . 36 26.5 46.2 shell 3.50 4.00 1439 165 0 0 0 0 3 0 90 42 . 30 11.5 31.7 shell 4.00 4.50 2315 115 0 0 0 0 0 0 66 42 . 7 5.0 21.0 shell 4.50 5.00 3377 31 0 0 0 0 0 0 27 0 . 4 0.9 13.6 shell 5.00 5.50 3763 0 0 0 0 0 0 0 0 0 . 0 0.0 9.6 shell 5.50 6.00 4416 0 0 0 0 0 0 0 0 0 . 0 0.0 7.2 shell 6.00 6.50 5051 0 0 0 0 0 0 0 0 0 . 0 0.0 5.6 shell 6.50 7.00 5435 0 0 0 0 0 0 0 0 0 . 0 0.0 4.5 shell 7.00 7.50 5951 0 0 0 0 0 0 0 0 0 . 0 0.0 3.7 shell 7.50 8.00 6440 0 0 0 0 0 0 0 0 0 . 0 0.0 3.1 shell 8.00 8.50 7109 0 0 0 0 0 0 0 0 0 . 0 0.0 2.6 shell 8.50 9.00 7664 0 0 0 0 0 0 0 0 0 . 0 0.0 2.3 sums . . 54978 1243 0 258 106 140 70 22 318 202 . 127 . . stop_ loop_ _NOE_completeness_comp.Entity_assembly_ID _NOE_completeness_comp.Comp_index_ID _NOE_completeness_comp.Comp_ID _NOE_completeness_comp.Obs_atom_count _NOE_completeness_comp.Constraint_observed_count _NOE_completeness_comp.Constraint_expected_count _NOE_completeness_comp.Constraint_matched_count _NOE_completeness_comp.Completeness_cumulative_pct _NOE_completeness_comp.Std_dev _NOE_completeness_comp.Details 1 1 MET 6 0 4 0 0.0 -2.6 >sigma 1 2 ASN 6 1 11 1 9.1 -1.9 >sigma 1 3 THR 4 6 18 4 22.2 -0.8 . 1 4 PRO 5 8 20 7 35.0 0.2 . 1 5 GLU 5 5 13 4 30.8 -0.1 . 1 6 HIS 6 8 19 6 31.6 -0.1 . 1 7 MET 6 14 43 12 27.9 -0.4 . 1 8 THR 4 13 27 11 40.7 0.7 . 1 9 ALA 3 9 16 7 43.8 0.9 . 1 10 VAL 5 15 39 13 33.3 0.1 . 1 11 VAL 5 26 51 22 43.1 0.9 . 1 12 GLN 7 13 21 10 47.6 1.2 >sigma 1 13 ARG 7 9 23 6 26.1 -0.5 . 1 14 TYR 6 15 60 14 23.3 -0.7 . 1 15 VAL 5 27 51 21 41.2 0.7 . 1 16 ALA 3 11 20 8 40.0 0.6 . 1 17 ALA 3 11 29 9 31.0 -0.1 . 1 18 LEU 7 20 54 18 33.3 0.1 . 1 19 ASN 6 9 21 6 28.6 -0.3 . 1 20 ALA 3 5 17 5 29.4 -0.2 . 1 21 GLY 3 6 17 6 35.3 0.2 . 1 22 ASP 4 7 26 6 23.1 -0.8 . 1 23 LEU 7 16 43 14 32.6 0.0 . 1 24 ASP 4 7 13 5 38.5 0.5 . 1 25 GLY 3 8 16 5 31.3 -0.1 . 1 26 ILE 6 21 64 19 29.7 -0.2 . 1 27 VAL 5 20 53 19 35.8 0.3 . 1 28 ALA 3 9 13 5 38.5 0.5 . 1 29 LEU 7 10 43 9 20.9 -0.9 . 1 30 PHE 7 17 62 13 21.0 -0.9 . 1 31 ALA 3 13 21 12 57.1 2.0 >sigma 1 32 ASP 4 5 11 4 36.4 0.3 . 1 33 ASP 4 8 12 6 50.0 1.4 >sigma 1 34 ALA 3 13 34 13 38.2 0.5 . 1 35 THR 4 12 25 11 44.0 0.9 . 1 36 VAL 5 14 47 14 29.8 -0.2 . 1 37 GLU 5 6 29 6 20.7 -0.9 . 1 38 ASP 4 7 16 6 37.5 0.4 . 1 39 PRO 5 6 23 5 21.7 -0.9 . 1 40 VAL 5 13 43 11 25.6 -0.6 . 1 41 GLY 3 5 9 5 55.6 1.9 >sigma 1 42 SER 4 2 11 2 18.2 -1.2 >sigma 1 43 GLU 5 3 7 3 42.9 0.9 . 1 44 PRO 5 8 17 6 35.3 0.2 . 1 45 ARG 7 7 26 7 26.9 -0.4 . 1 46 SER 4 9 16 9 56.3 1.9 >sigma 1 47 GLY 3 8 20 8 40.0 0.6 . 1 48 THR 4 13 27 11 40.7 0.7 . 1 49 ALA 3 6 15 5 33.3 0.1 . 1 50 ALA 3 10 25 8 32.0 -0.0 . 1 51 ILE 6 27 72 26 36.1 0.3 . 1 52 ARG 7 12 35 10 28.6 -0.3 . 1 53 GLU 5 9 18 6 33.3 0.1 . 1 54 PHE 7 10 30 9 30.0 -0.2 . 1 55 TYR 6 17 54 14 25.9 -0.5 . 1 56 ALA 3 15 27 15 55.6 1.9 >sigma 1 57 ASN 6 7 17 5 29.4 -0.2 . 1 58 SER 4 7 15 6 40.0 0.6 . 1 59 LEU 7 17 40 13 32.5 0.0 . 1 60 LYS 7 4 15 4 26.7 -0.5 . 1 61 LEU 7 13 32 10 31.3 -0.1 . 1 62 PRO 5 3 10 3 30.0 -0.2 . 1 63 LEU 7 10 40 9 22.5 -0.8 . 1 64 ALA 3 5 18 4 22.2 -0.8 . 1 65 VAL 5 17 43 17 39.5 0.6 . 1 66 GLU 5 9 16 9 56.3 1.9 >sigma 1 67 LEU 7 15 41 15 36.6 0.3 . 1 68 THR 4 9 21 8 38.1 0.5 . 1 69 GLN 7 6 25 6 24.0 -0.7 . 1 70 GLU 5 2 14 2 14.3 -1.5 >sigma 1 71 VAL 5 21 42 21 50.0 1.4 >sigma 1 72 ARG 7 5 39 4 10.3 -1.8 >sigma 1 73 ALA 3 14 23 11 47.8 1.3 >sigma 1 74 VAL 5 13 35 13 37.1 0.4 . 1 75 ALA 3 6 23 6 26.1 -0.5 . 1 76 ASN 6 2 13 2 15.4 -1.4 >sigma 1 77 GLU 5 6 25 6 24.0 -0.7 . 1 78 ALA 3 15 34 14 41.2 0.7 . 1 79 ALA 3 14 32 13 40.6 0.7 . 1 80 PHE 7 19 70 18 25.7 -0.5 . 1 81 ALA 3 10 32 10 31.3 -0.1 . 1 82 PHE 7 16 61 16 26.2 -0.5 . 1 83 THR 4 16 23 15 65.2 2.7 >sigma 1 84 VAL 5 13 51 13 25.5 -0.6 . 1 85 SER 4 9 23 9 39.1 0.6 . 1 86 PHE 7 15 45 13 28.9 -0.3 . 1 87 GLU 5 9 17 7 41.2 0.7 . 1 88 TYR 6 7 12 5 41.7 0.8 . 1 89 GLN 7 2 6 2 33.3 0.1 . 1 90 GLY 3 2 6 2 33.3 0.1 . 1 91 ARG 7 3 9 3 33.3 0.1 . 1 92 LYS 7 5 18 5 27.8 -0.4 . 1 93 THR 4 14 30 12 40.0 0.6 . 1 94 VAL 5 16 37 15 40.5 0.7 . 1 95 VAL 5 13 62 13 21.0 -0.9 . 1 96 ALA 3 12 29 11 37.9 0.5 . 1 97 PRO 5 8 36 6 16.7 -1.3 >sigma 1 98 ILE 6 14 52 12 23.1 -0.8 . 1 99 ASP 4 14 29 13 44.8 1.0 >sigma 1 100 HIS 6 8 19 8 42.1 0.8 . 1 101 PHE 7 15 49 14 28.6 -0.3 . 1 102 ARG 7 7 25 5 20.0 -1.0 >sigma 1 103 PHE 7 10 40 10 25.0 -0.6 . 1 104 ASN 6 3 15 3 20.0 -1.0 >sigma 1 105 GLY 3 0 7 0 0.0 -2.6 >sigma 1 106 ALA 3 0 6 0 0.0 -2.6 >sigma 1 107 GLY 3 0 6 0 0.0 -2.6 >sigma 1 108 LYS 7 2 14 2 14.3 -1.5 >sigma 1 109 VAL 5 20 50 17 34.0 0.1 . 1 110 VAL 5 14 31 11 35.5 0.3 . 1 111 SER 4 5 22 4 18.2 -1.2 >sigma 1 112 MET 6 10 41 10 24.4 -0.6 . 1 113 ARG 7 6 29 6 20.7 -0.9 . 1 114 ALA 3 10 22 8 36.4 0.3 . 1 115 LEU 7 17 56 15 26.8 -0.5 . 1 116 PHE 7 14 32 9 28.1 -0.3 . 1 117 GLY 3 7 12 6 50.0 1.4 >sigma 1 118 GLU 5 6 10 5 50.0 1.4 >sigma 1 119 LYS 7 4 7 4 57.1 2.0 >sigma 1 120 ASN 6 5 21 4 19.0 -1.1 >sigma 1 121 ILE 6 12 43 11 25.6 -0.6 . 1 122 HIS 6 14 19 11 57.9 2.1 >sigma 1 123 ALA 3 6 15 6 40.0 0.6 . 1 124 GLY 3 4 7 4 57.1 2.0 >sigma 1 125 ALA 3 2 4 2 50.0 1.4 >sigma 2 1 MET 6 0 4 0 0.0 -2.6 >sigma 2 2 ASN 6 1 9 1 11.1 -1.7 >sigma 2 3 THR 4 6 18 4 22.2 -0.8 . 2 4 PRO 5 8 20 7 35.0 0.2 . 2 5 GLU 5 5 14 4 28.6 -0.3 . 2 6 HIS 6 8 19 6 31.6 -0.1 . 2 7 MET 6 14 43 12 27.9 -0.4 . 2 8 THR 4 13 27 11 40.7 0.7 . 2 9 ALA 3 9 16 7 43.8 0.9 . 2 10 VAL 5 15 40 13 32.5 0.0 . 2 11 VAL 5 26 53 22 41.5 0.7 . 2 12 GLN 7 13 23 10 43.5 0.9 . 2 13 ARG 7 9 26 6 23.1 -0.8 . 2 14 TYR 6 15 57 14 24.6 -0.6 . 2 15 VAL 5 27 53 21 39.6 0.6 . 2 16 ALA 3 11 20 8 40.0 0.6 . 2 17 ALA 3 11 30 9 30.0 -0.2 . 2 18 LEU 7 20 50 18 36.0 0.3 . 2 19 ASN 6 9 19 6 31.6 -0.1 . 2 20 ALA 3 5 17 5 29.4 -0.2 . 2 21 GLY 3 6 17 6 35.3 0.2 . 2 22 ASP 4 7 25 6 24.0 -0.7 . 2 23 LEU 7 16 44 14 31.8 -0.0 . 2 24 ASP 4 7 12 5 41.7 0.8 . 2 25 GLY 3 8 16 5 31.3 -0.1 . 2 26 ILE 6 21 66 19 28.8 -0.3 . 2 27 VAL 5 20 54 19 35.2 0.2 . 2 28 ALA 3 9 13 5 38.5 0.5 . 2 29 LEU 7 10 47 9 19.1 -1.1 >sigma 2 30 PHE 7 17 64 13 20.3 -1.0 . 2 31 ALA 3 13 22 12 54.5 1.8 >sigma 2 32 ASP 4 5 12 4 33.3 0.1 . 2 33 ASP 4 8 13 6 46.2 1.1 >sigma 2 34 ALA 3 13 33 13 39.4 0.6 . 2 35 THR 4 12 27 11 40.7 0.7 . 2 36 VAL 5 14 49 14 28.6 -0.3 . 2 37 GLU 5 6 29 6 20.7 -0.9 . 2 38 ASP 4 7 16 6 37.5 0.4 . 2 39 PRO 5 6 25 5 20.0 -1.0 >sigma 2 40 VAL 5 13 44 11 25.0 -0.6 . 2 41 GLY 3 5 9 5 55.6 1.9 >sigma 2 42 SER 4 2 11 2 18.2 -1.2 >sigma 2 43 GLU 5 3 7 3 42.9 0.9 . 2 44 PRO 5 8 16 6 37.5 0.4 . 2 45 ARG 7 7 26 7 26.9 -0.4 . 2 46 SER 4 9 18 9 50.0 1.4 >sigma 2 47 GLY 3 8 18 8 44.4 1.0 . 2 48 THR 4 13 28 11 39.3 0.6 . 2 49 ALA 3 6 15 6 40.0 0.6 . 2 50 ALA 3 10 25 8 32.0 -0.0 . 2 51 ILE 6 27 72 27 37.5 0.4 . 2 52 ARG 7 12 36 10 27.8 -0.4 . 2 53 GLU 5 9 20 8 40.0 0.6 . 2 54 PHE 7 10 31 9 29.0 -0.3 . 2 55 TYR 6 17 56 14 25.0 -0.6 . 2 56 ALA 3 15 28 15 53.6 1.7 >sigma 2 57 ASN 6 7 17 5 29.4 -0.2 . 2 58 SER 4 7 15 6 40.0 0.6 . 2 59 LEU 7 17 37 13 35.1 0.2 . 2 60 LYS 7 4 15 4 26.7 -0.5 . 2 61 LEU 7 13 37 11 29.7 -0.2 . 2 62 PRO 5 3 10 3 30.0 -0.2 . 2 63 LEU 7 10 41 8 19.5 -1.0 >sigma 2 64 ALA 3 5 19 4 21.1 -0.9 . 2 65 VAL 5 17 43 17 39.5 0.6 . 2 66 GLU 5 9 16 9 56.3 1.9 >sigma 2 67 LEU 7 15 40 14 35.0 0.2 . 2 68 THR 4 9 21 8 38.1 0.5 . 2 69 GLN 7 6 29 6 20.7 -0.9 . 2 70 GLU 5 2 14 2 14.3 -1.5 >sigma 2 71 VAL 5 21 41 21 51.2 1.5 >sigma 2 72 ARG 7 5 35 4 11.4 -1.7 >sigma 2 73 ALA 3 14 22 11 50.0 1.4 >sigma 2 74 VAL 5 13 31 12 38.7 0.5 . 2 75 ALA 3 6 22 6 27.3 -0.4 . 2 76 ASN 6 2 11 2 18.2 -1.2 >sigma 2 77 GLU 5 6 23 6 26.1 -0.5 . 2 78 ALA 3 15 34 14 41.2 0.7 . 2 79 ALA 3 14 32 13 40.6 0.7 . 2 80 PHE 7 20 71 19 26.8 -0.5 . 2 81 ALA 3 10 31 9 29.0 -0.3 . 2 82 PHE 7 16 62 16 25.8 -0.5 . 2 83 THR 4 16 25 15 60.0 2.3 >sigma 2 84 VAL 5 13 52 13 25.0 -0.6 . 2 85 SER 4 9 22 8 36.4 0.3 . 2 86 PHE 7 15 45 13 28.9 -0.3 . 2 87 GLU 5 9 20 7 35.0 0.2 . 2 88 TYR 6 7 13 6 46.2 1.1 >sigma 2 89 GLN 7 2 5 2 40.0 0.6 . 2 90 GLY 3 2 6 2 33.3 0.1 . 2 91 ARG 7 3 11 3 27.3 -0.4 . 2 92 LYS 7 5 24 5 20.8 -0.9 . 2 93 THR 4 14 28 12 42.9 0.9 . 2 94 VAL 5 16 36 15 41.7 0.8 . 2 95 VAL 5 13 60 13 21.7 -0.9 . 2 96 ALA 3 12 29 11 37.9 0.5 . 2 97 PRO 5 8 38 6 15.8 -1.3 >sigma 2 98 ILE 6 14 51 12 23.5 -0.7 . 2 99 ASP 4 15 29 15 51.7 1.6 >sigma 2 100 HIS 6 8 20 8 40.0 0.6 . 2 101 PHE 7 15 51 15 29.4 -0.2 . 2 102 ARG 7 7 25 5 20.0 -1.0 >sigma 2 103 PHE 7 10 38 10 26.3 -0.5 . 2 104 ASN 6 3 12 3 25.0 -0.6 . 2 105 GLY 3 0 7 0 0.0 -2.6 >sigma 2 106 ALA 3 0 6 0 0.0 -2.6 >sigma 2 107 GLY 3 0 6 0 0.0 -2.6 >sigma 2 108 LYS 7 2 14 2 14.3 -1.5 >sigma 2 109 VAL 5 20 48 17 35.4 0.3 . 2 110 VAL 5 14 30 11 36.7 0.4 . 2 111 SER 4 5 21 4 19.0 -1.1 >sigma 2 112 MET 6 10 42 10 23.8 -0.7 . 2 113 ARG 7 6 27 6 22.2 -0.8 . 2 114 ALA 3 10 22 9 40.9 0.7 . 2 115 LEU 7 17 48 15 31.3 -0.1 . 2 116 PHE 7 14 36 10 27.8 -0.4 . 2 117 GLY 3 7 13 7 53.8 1.8 >sigma 2 118 GLU 5 6 13 5 38.5 0.5 . 2 119 LYS 7 4 9 4 44.4 1.0 . 2 120 ASN 6 5 26 4 15.4 -1.4 >sigma 2 121 ILE 6 12 43 11 25.6 -0.6 . 2 122 HIS 6 14 20 11 55.0 1.8 >sigma 2 123 ALA 3 6 17 6 35.3 0.2 . 2 124 GLY 3 4 7 4 57.1 2.0 >sigma 2 125 ALA 3 2 8 2 25.0 -0.6 . stop_ save_
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