NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
643241 | 6uhw | 30677 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6uhw save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 20 _NOE_completeness_stats.Residue_count 278 _NOE_completeness_stats.Total_atom_count 4036 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 1398 _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 39.5 _NOE_completeness_stats.Constraint_unexpanded_count 3880 _NOE_completeness_stats.Constraint_count 3880 _NOE_completeness_stats.Constraint_exp_unfiltered_count 3921 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 222 _NOE_completeness_stats.Constraint_intraresidue_count 843 _NOE_completeness_stats.Constraint_surplus_count 282 _NOE_completeness_stats.Constraint_observed_count 2533 _NOE_completeness_stats.Constraint_expected_count 3691 _NOE_completeness_stats.Constraint_matched_count 1457 _NOE_completeness_stats.Constraint_unmatched_count 1076 _NOE_completeness_stats.Constraint_exp_nonobs_count 2234 _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 1014 1154 563 48.8 1.3 >sigma medium-range 565 806 303 37.6 -0.2 . long-range 671 1205 403 33.4 -0.7 . intermolecular 283 526 188 35.7 -0.4 . 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 81 47 4 8 13 12 8 2 0 0 . 0 58.0 58.0 shell 2.00 2.50 420 231 0 35 89 79 24 4 0 0 . 0 55.0 55.5 shell 2.50 3.00 662 328 0 18 72 134 80 21 3 0 . 0 49.5 52.1 shell 3.00 3.50 939 387 0 4 54 152 129 40 6 2 . 0 41.2 47.2 shell 3.50 4.00 1589 464 0 0 0 99 250 100 11 4 . 0 29.2 39.5 shell 4.00 4.50 2583 544 0 0 0 16 197 262 53 12 . 4 21.1 31.9 shell 4.50 5.00 3521 357 0 0 0 3 14 158 159 22 . 1 10.1 24.1 shell 5.00 5.50 4059 156 0 0 0 0 1 5 88 61 . 1 3.8 18.1 shell 5.50 6.00 4624 19 0 0 0 0 0 0 5 14 . 0 0.4 13.7 shell 6.00 6.50 5164 0 0 0 0 0 0 0 0 0 . 0 0.0 10.7 shell 6.50 7.00 5809 0 0 0 0 0 0 0 0 0 . 0 0.0 8.6 shell 7.00 7.50 6377 0 0 0 0 0 0 0 0 0 . 0 0.0 7.1 shell 7.50 8.00 7057 0 0 0 0 0 0 0 0 0 . 0 0.0 5.9 shell 8.00 8.50 7558 0 0 0 0 0 0 0 0 0 . 0 0.0 5.0 shell 8.50 9.00 8061 0 0 0 0 0 0 0 0 0 . 0 0.0 4.3 sums . . 58504 2533 4 65 228 495 703 592 325 115 . 6 . . 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 23 27 14 51.9 0.5 . 1 2 ASN 6 12 15 7 46.7 0.3 . 1 3 ILE 6 54 56 35 62.5 1.0 >sigma 1 4 LEU 7 23 46 11 23.9 -0.8 . 1 5 TYR 6 38 45 27 60.0 0.9 . 1 6 LYS 7 41 46 24 52.2 0.5 . 1 7 THR 4 29 31 15 48.4 0.4 . 1 8 ALA 3 25 21 16 76.2 1.7 >sigma 1 9 ALA 3 19 29 12 41.4 0.0 . 1 10 THR 4 23 23 11 47.8 0.3 . 1 11 SER 4 17 23 11 47.8 0.3 . 1 12 THR 4 17 25 9 36.0 -0.2 . 1 13 GLY 3 7 19 5 26.3 -0.7 . 1 14 GLY 3 6 15 4 26.7 -0.7 . 1 15 ARG 7 3 20 2 10.0 -1.5 >sigma 1 16 ASP 4 10 24 6 25.0 -0.8 . 1 17 GLY 3 17 18 11 61.1 1.0 . 1 18 ARG 7 19 38 14 36.8 -0.2 . 1 19 ALA 3 19 32 15 46.9 0.3 . 1 20 THR 4 41 25 19 76.0 1.7 >sigma 1 21 SER 4 22 35 11 31.4 -0.5 . 1 22 HIS 6 15 22 11 50.0 0.4 . 1 23 ASP 4 11 16 5 31.3 -0.5 . 1 24 GLN 7 18 14 11 78.6 1.8 >sigma 1 25 LYS 7 9 27 5 18.5 -1.1 >sigma 1 26 LEU 7 22 48 11 22.9 -0.9 . 1 27 ASP 4 25 16 14 87.5 2.3 >sigma 1 28 VAL 5 24 23 15 65.2 1.2 >sigma 1 29 LYS 7 31 38 20 52.6 0.6 . 1 30 LEU 7 30 47 16 34.0 -0.3 . 1 31 SER 4 23 25 10 40.0 -0.0 . 1 32 ALA 3 10 18 4 22.2 -0.9 . 1 33 PRO 5 1 22 1 4.5 -1.8 >sigma 1 34 ARG 7 16 33 12 36.4 -0.2 . 1 35 GLU 5 17 23 9 39.1 -0.1 . 1 36 LEU 7 30 36 20 55.6 0.7 . 1 37 GLY 3 9 9 3 33.3 -0.4 . 1 38 GLY 3 15 15 8 53.3 0.6 . 1 39 ALA 3 9 20 5 25.0 -0.8 . 1 40 GLY 3 13 20 8 40.0 -0.0 . 1 41 ALA 3 16 21 8 38.1 -0.1 . 1 42 GLU 5 13 7 6 85.7 2.2 >sigma 1 43 GLY 3 11 12 6 50.0 0.4 . 1 44 THR 4 13 25 4 16.0 -1.2 >sigma 1 45 ASN 6 5 30 3 10.0 -1.5 >sigma 1 46 PRO 5 0 31 0 0.0 -2.0 >sigma 1 47 GLU 5 2 29 1 3.4 -1.8 >sigma 1 48 GLN 7 17 41 13 31.7 -0.5 . 1 49 LEU 7 14 39 6 15.4 -1.2 >sigma 1 50 PHE 7 21 44 13 29.5 -0.6 . 1 51 ALA 3 16 31 11 35.5 -0.3 . 1 52 ALA 3 16 29 10 34.5 -0.3 . 1 53 GLY 3 12 23 9 39.1 -0.1 . 1 54 TYR 6 21 39 13 33.3 -0.4 . 1 55 SER 4 14 29 8 27.6 -0.7 . 1 56 ALA 3 16 30 10 33.3 -0.4 . 1 57 CYS 4 5 23 3 13.0 -1.4 >sigma 1 58 PHE 7 10 44 8 18.2 -1.1 >sigma 1 59 LEU 7 0 28 0 0.0 -2.0 >sigma 1 60 SER 4 0 20 0 0.0 -2.0 >sigma 1 61 ALA 3 10 18 6 33.3 -0.4 . 1 62 MET 6 14 36 12 33.3 -0.4 . 1 63 LYS 7 2 23 2 8.7 -1.6 >sigma 1 64 PHE 7 12 24 6 25.0 -0.8 . 1 65 VAL 5 32 35 17 48.6 0.4 . 1 66 ALA 3 38 33 22 66.7 1.2 >sigma 1 67 GLY 3 10 13 6 46.2 0.2 . 1 68 GLN 7 31 22 14 63.6 1.1 >sigma 1 69 ASN 6 44 28 26 92.9 2.5 >sigma 1 70 LYS 7 16 14 10 71.4 1.5 >sigma 1 71 GLN 7 42 31 23 74.2 1.6 >sigma 1 72 THR 4 14 10 9 90.0 2.4 >sigma 1 73 LEU 7 22 35 11 31.4 -0.5 . 1 74 PRO 5 9 29 5 17.2 -1.2 >sigma 1 75 ALA 3 8 8 3 37.5 -0.2 . 1 76 ASP 4 18 18 11 61.1 1.0 . 1 77 THR 4 25 32 15 46.9 0.3 . 1 78 THR 4 14 25 10 40.0 -0.0 . 1 79 VAL 5 16 44 11 25.0 -0.8 . 1 80 THR 4 23 29 13 44.8 0.2 . 1 81 ALA 3 21 30 12 40.0 -0.0 . 1 82 GLU 5 29 26 14 53.8 0.6 . 1 83 VAL 5 16 44 10 22.7 -0.9 . 1 84 GLY 3 25 33 18 54.5 0.7 . 1 85 ILE 6 39 62 26 41.9 0.0 . 1 86 GLY 3 14 29 8 27.6 -0.7 . 1 87 PRO 5 7 25 5 20.0 -1.0 >sigma 1 88 ASN 6 21 23 12 52.2 0.5 . 1 89 GLU 5 12 9 5 55.6 0.7 . 1 90 GLU 5 18 18 12 66.7 1.2 >sigma 1 91 GLY 3 8 10 5 50.0 0.4 . 1 92 GLY 3 7 11 3 27.3 -0.7 . 1 93 PHE 7 16 25 8 32.0 -0.4 . 1 94 ALA 3 16 23 13 56.5 0.8 . 1 95 LEU 7 13 33 8 24.2 -0.8 . 1 96 ASP 4 19 19 10 52.6 0.6 . 1 97 VAL 5 14 39 6 15.4 -1.2 >sigma 1 98 GLU 5 10 26 6 23.1 -0.9 . 1 99 LEU 7 28 44 13 29.5 -0.6 . 1 100 ARG 7 32 34 18 52.9 0.6 . 1 101 VAL 5 24 43 12 27.9 -0.6 . 1 102 ALA 3 17 15 9 60.0 0.9 . 1 103 LEU 7 15 43 7 16.3 -1.2 >sigma 1 104 PRO 5 30 31 16 51.6 0.5 . 1 105 GLY 3 11 6 5 83.3 2.1 >sigma 1 106 LEU 7 30 47 20 42.6 0.1 . 1 107 ASP 4 25 17 15 88.2 2.3 >sigma 1 108 ALA 3 13 14 7 50.0 0.4 . 1 109 ALA 3 15 18 8 44.4 0.2 . 1 110 ALA 3 25 27 14 51.9 0.5 . 1 111 ALA 3 35 38 22 57.9 0.8 . 1 112 LYS 7 31 26 15 57.7 0.8 . 1 113 THR 4 28 23 10 43.5 0.1 . 1 114 LEU 7 28 41 17 41.5 0.0 . 1 115 VAL 5 30 47 15 31.9 -0.4 . 1 116 ASP 4 26 20 15 75.0 1.6 >sigma 1 117 ARG 7 19 29 13 44.8 0.2 . 1 118 ALA 3 17 26 14 53.8 0.6 . 1 119 HIS 6 12 25 10 40.0 -0.0 . 1 120 HIS 6 13 18 10 55.6 0.7 . 1 121 VAL 5 12 21 8 38.1 -0.1 . 1 122 CYS 4 3 12 2 16.7 -1.2 >sigma 1 123 PRO 5 0 9 0 0.0 -2.0 >sigma 1 124 TYR 6 9 20 6 30.0 -0.5 . 1 125 SER 4 0 12 0 0.0 -2.0 >sigma 1 126 ASN 6 5 12 2 16.7 -1.2 >sigma 1 127 ALA 3 17 23 9 39.1 -0.1 . 1 128 THR 4 19 25 8 32.0 -0.4 . 1 129 ARG 7 23 30 13 43.3 0.1 . 1 130 ASN 6 17 21 12 57.1 0.8 . 1 131 ASN 6 16 20 11 55.0 0.7 . 1 132 VAL 5 17 26 9 34.6 -0.3 . 1 133 ALA 3 9 12 5 41.7 0.0 . 1 134 VAL 5 23 37 10 27.0 -0.7 . 1 135 ARG 7 10 14 3 21.4 -1.0 . 1 136 LEU 7 34 31 14 45.2 0.2 . 1 137 VAL 5 35 32 16 50.0 0.4 . 1 138 VAL 5 36 38 20 52.6 0.6 . 1 139 ALA 3 24 19 13 68.4 1.3 >sigma 2 1 MET 6 23 25 14 56.0 0.7 . 2 2 ASN 6 12 15 7 46.7 0.3 . 2 3 ILE 6 55 55 35 63.6 1.1 >sigma 2 4 LEU 7 23 46 11 23.9 -0.8 . 2 5 TYR 6 38 45 27 60.0 0.9 . 2 6 LYS 7 43 47 24 51.1 0.5 . 2 7 THR 4 29 25 15 60.0 0.9 . 2 8 ALA 3 25 21 16 76.2 1.7 >sigma 2 9 ALA 3 19 25 11 44.0 0.1 . 2 10 THR 4 23 24 12 50.0 0.4 . 2 11 SER 4 17 24 11 45.8 0.2 . 2 12 THR 4 17 25 9 36.0 -0.2 . 2 13 GLY 3 7 17 5 29.4 -0.6 . 2 14 GLY 3 6 16 4 25.0 -0.8 . 2 15 ARG 7 3 19 1 5.3 -1.7 >sigma 2 16 ASP 4 10 26 6 23.1 -0.9 . 2 17 GLY 3 17 17 10 58.8 0.9 . 2 18 ARG 7 19 37 13 35.1 -0.3 . 2 19 ALA 3 19 29 14 48.3 0.4 . 2 20 THR 4 41 24 19 79.2 1.9 >sigma 2 21 SER 4 22 35 10 28.6 -0.6 . 2 22 HIS 6 15 23 12 52.2 0.5 . 2 23 ASP 4 11 15 5 33.3 -0.4 . 2 24 GLN 7 18 13 10 76.9 1.7 >sigma 2 25 LYS 7 9 20 4 20.0 -1.0 >sigma 2 26 LEU 7 22 46 11 23.9 -0.8 . 2 27 ASP 4 25 15 14 93.3 2.5 >sigma 2 28 VAL 5 24 24 15 62.5 1.0 >sigma 2 29 LYS 7 31 37 20 54.1 0.6 . 2 30 LEU 7 30 48 16 33.3 -0.4 . 2 31 SER 4 23 26 10 38.5 -0.1 . 2 32 ALA 3 10 19 4 21.1 -1.0 . 2 33 PRO 5 1 24 1 4.2 -1.8 >sigma 2 34 ARG 7 16 32 12 37.5 -0.2 . 2 35 GLU 5 17 23 8 34.8 -0.3 . 2 36 LEU 7 30 37 19 51.4 0.5 . 2 37 GLY 3 9 9 3 33.3 -0.4 . 2 38 GLY 3 15 14 8 57.1 0.8 . 2 39 ALA 3 9 19 5 26.3 -0.7 . 2 40 GLY 3 13 21 8 38.1 -0.1 . 2 41 ALA 3 16 22 8 36.4 -0.2 . 2 42 GLU 5 13 8 7 87.5 2.3 >sigma 2 43 GLY 3 11 15 7 46.7 0.3 . 2 44 THR 4 13 22 4 18.2 -1.1 >sigma 2 45 ASN 6 5 32 3 9.4 -1.5 >sigma 2 46 PRO 5 0 29 0 0.0 -2.0 >sigma 2 47 GLU 5 2 28 1 3.6 -1.8 >sigma 2 48 GLN 7 16 39 13 33.3 -0.4 . 2 49 LEU 7 14 39 6 15.4 -1.2 >sigma 2 50 PHE 7 21 44 13 29.5 -0.6 . 2 51 ALA 3 16 32 11 34.4 -0.3 . 2 52 ALA 3 16 27 10 37.0 -0.2 . 2 53 GLY 3 12 21 9 42.9 0.1 . 2 54 TYR 6 21 38 13 34.2 -0.3 . 2 55 SER 4 14 28 8 28.6 -0.6 . 2 56 ALA 3 16 30 10 33.3 -0.4 . 2 57 CYS 4 5 23 3 13.0 -1.4 >sigma 2 58 PHE 7 10 39 8 20.5 -1.0 . 2 59 LEU 7 0 27 0 0.0 -2.0 >sigma 2 60 SER 4 0 21 0 0.0 -2.0 >sigma 2 61 ALA 3 10 18 6 33.3 -0.4 . 2 62 MET 6 14 33 12 36.4 -0.2 . 2 63 LYS 7 2 23 1 4.3 -1.8 >sigma 2 64 PHE 7 12 23 6 26.1 -0.7 . 2 65 VAL 5 32 36 18 50.0 0.4 . 2 66 ALA 3 38 36 24 66.7 1.2 >sigma 2 67 GLY 3 10 13 6 46.2 0.2 . 2 68 GLN 7 31 23 15 65.2 1.2 >sigma 2 69 ASN 6 44 32 29 90.6 2.4 >sigma 2 70 LYS 7 16 14 10 71.4 1.5 >sigma 2 71 GLN 7 42 32 24 75.0 1.6 >sigma 2 72 THR 4 14 10 9 90.0 2.4 >sigma 2 73 LEU 7 22 31 10 32.3 -0.4 . 2 74 PRO 5 9 31 5 16.1 -1.2 >sigma 2 75 ALA 3 8 9 4 44.4 0.2 . 2 76 ASP 4 18 13 9 69.2 1.4 >sigma 2 77 THR 4 25 33 15 45.5 0.2 . 2 78 THR 4 14 24 10 41.7 0.0 . 2 79 VAL 5 16 40 11 27.5 -0.7 . 2 80 THR 4 23 29 13 44.8 0.2 . 2 81 ALA 3 21 29 12 41.4 0.0 . 2 82 GLU 5 28 27 15 55.6 0.7 . 2 83 VAL 5 15 46 10 21.7 -0.9 . 2 84 GLY 3 25 30 17 56.7 0.8 . 2 85 ILE 6 39 63 27 42.9 0.1 . 2 86 GLY 3 14 30 8 26.7 -0.7 . 2 87 PRO 5 7 27 5 18.5 -1.1 >sigma 2 88 ASN 6 21 23 13 56.5 0.8 . 2 89 GLU 5 12 10 6 60.0 0.9 . 2 90 GLU 5 18 17 12 70.6 1.4 >sigma 2 91 GLY 3 8 10 5 50.0 0.4 . 2 92 GLY 3 7 11 3 27.3 -0.7 . 2 93 PHE 7 16 26 8 30.8 -0.5 . 2 94 ALA 3 16 23 13 56.5 0.8 . 2 95 LEU 7 13 31 8 25.8 -0.7 . 2 96 ASP 4 19 21 10 47.6 0.3 . 2 97 VAL 5 14 37 6 16.2 -1.2 >sigma 2 98 GLU 5 10 26 6 23.1 -0.9 . 2 99 LEU 7 28 46 13 28.3 -0.6 . 2 100 ARG 7 32 34 19 55.9 0.7 . 2 101 VAL 5 24 45 13 28.9 -0.6 . 2 102 ALA 3 17 16 9 56.3 0.7 . 2 103 LEU 7 15 48 8 16.7 -1.2 >sigma 2 104 PRO 5 30 29 14 48.3 0.4 . 2 105 GLY 3 11 6 5 83.3 2.1 >sigma 2 106 LEU 7 30 48 19 39.6 -0.1 . 2 107 ASP 4 25 15 13 86.7 2.2 >sigma 2 108 ALA 3 13 15 7 46.7 0.3 . 2 109 ALA 3 15 18 8 44.4 0.2 . 2 110 ALA 3 25 26 13 50.0 0.4 . 2 111 ALA 3 35 38 21 55.3 0.7 . 2 112 LYS 7 31 27 15 55.6 0.7 . 2 113 THR 4 28 23 10 43.5 0.1 . 2 114 LEU 7 28 42 16 38.1 -0.1 . 2 115 VAL 5 30 45 15 33.3 -0.4 . 2 116 ASP 4 26 20 15 75.0 1.6 >sigma 2 117 ARG 7 19 29 13 44.8 0.2 . 2 118 ALA 3 17 25 14 56.0 0.7 . 2 119 HIS 6 12 29 10 34.5 -0.3 . 2 120 HIS 6 13 19 10 52.6 0.6 . 2 121 VAL 5 12 17 8 47.1 0.3 . 2 122 CYS 4 3 12 2 16.7 -1.2 >sigma 2 123 PRO 5 0 11 0 0.0 -2.0 >sigma 2 124 TYR 6 9 20 6 30.0 -0.5 . 2 125 SER 4 0 12 0 0.0 -2.0 >sigma 2 126 ASN 6 5 11 2 18.2 -1.1 >sigma 2 127 ALA 3 17 23 7 30.4 -0.5 . 2 128 THR 4 19 25 7 28.0 -0.6 . 2 129 ARG 7 23 34 13 38.2 -0.1 . 2 130 ASN 6 17 20 12 60.0 0.9 . 2 131 ASN 6 16 17 10 58.8 0.9 . 2 132 VAL 5 17 27 9 33.3 -0.4 . 2 133 ALA 3 9 13 6 46.2 0.2 . 2 134 VAL 5 23 41 11 26.8 -0.7 . 2 135 ARG 7 10 16 3 18.8 -1.1 >sigma 2 136 LEU 7 34 36 14 38.9 -0.1 . 2 137 VAL 5 35 33 17 51.5 0.5 . 2 138 VAL 5 36 41 21 51.2 0.5 . 2 139 ALA 3 24 16 14 87.5 2.3 >sigma stop_ save_
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