NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
611477 | 2n5e | 25710 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2n5e save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 10 _NOE_completeness_stats.Residue_count 334 _NOE_completeness_stats.Total_atom_count 5464 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 1930 _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 6.3 _NOE_completeness_stats.Constraint_unexpanded_count 1473 _NOE_completeness_stats.Constraint_count 1473 _NOE_completeness_stats.Constraint_exp_unfiltered_count 3063 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 1119 _NOE_completeness_stats.Constraint_intraresidue_count 6 _NOE_completeness_stats.Constraint_surplus_count 0 _NOE_completeness_stats.Constraint_observed_count 348 _NOE_completeness_stats.Constraint_expected_count 3063 _NOE_completeness_stats.Constraint_matched_count 193 _NOE_completeness_stats.Constraint_unmatched_count 155 _NOE_completeness_stats.Constraint_exp_nonobs_count 2870 _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 212 1627 177 10.9 1.0 >sigma medium-range 135 1336 16 1.2 -0.4 . long-range 0 0 0 . . . intermolecular 1 100 0 0.0 -0.6 . 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 13 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0 shell 2.00 2.50 134 12 0 0 0 12 0 0 0 0 . 0 9.0 8.2 shell 2.50 3.00 658 152 0 0 0 148 0 0 0 0 . 4 23.1 20.4 shell 3.00 3.50 733 4 0 0 0 0 0 0 0 2 . 2 0.5 10.9 shell 3.50 4.00 1525 25 0 0 0 0 16 0 0 0 . 9 1.6 6.3 shell 4.00 4.50 2315 84 0 0 0 0 69 0 0 0 . 15 3.6 5.2 shell 4.50 5.00 3596 26 0 0 0 0 9 0 0 2 . 15 0.7 3.4 shell 5.00 5.50 5074 16 0 0 0 0 0 0 0 2 . 14 0.3 2.3 shell 5.50 6.00 6093 18 0 0 0 0 2 0 0 0 . 16 0.3 1.7 shell 6.00 6.50 5897 6 0 0 0 0 0 0 0 0 . 6 0.1 1.3 shell 6.50 7.00 5819 2 0 0 0 0 0 0 0 0 . 2 0.0 1.1 shell 7.00 7.50 5658 2 0 0 0 0 0 0 0 0 . 2 0.0 0.9 shell 7.50 8.00 6643 0 0 0 0 0 0 0 0 0 . 0 0.0 0.8 shell 8.00 8.50 6664 0 0 0 0 0 0 0 0 0 . 0 0.0 0.7 shell 8.50 9.00 6831 0 0 0 0 0 0 0 0 0 . 0 0.0 0.6 sums . . 57653 347 0 0 0 160 96 0 0 6 . 85 . . 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 SER 4 0 3 0 0.0 -1.1 >sigma 1 2 THR 4 0 7 0 0.0 -1.1 >sigma 1 3 PHE 7 2 13 0 0.0 -1.1 >sigma 1 4 SER 4 0 14 0 0.0 -1.1 >sigma 1 5 LYS 7 2 13 0 0.0 -1.1 >sigma 1 6 LEU 7 3 19 1 5.3 -0.2 . 1 7 ARG 7 5 18 2 11.1 0.7 . 1 8 GLU 5 2 14 2 14.3 1.2 >sigma 1 9 GLN 7 3 13 1 7.7 0.2 . 1 10 LEU 7 8 15 4 26.7 3.1 >sigma 1 11 GLY 3 3 8 2 25.0 2.9 >sigma 1 12 PRO 5 0 10 0 0.0 -1.1 >sigma 1 13 VAL 5 7 15 2 13.3 1.0 >sigma 1 14 THR 4 6 16 3 18.8 1.9 >sigma 1 15 GLN 7 4 15 2 13.3 1.0 >sigma 1 16 GLU 5 4 14 2 14.3 1.2 >sigma 1 17 PHE 7 3 19 1 5.3 -0.2 . 1 18 TRP 10 4 25 1 4.0 -0.4 . 1 19 ASP 4 5 15 2 13.3 1.0 >sigma 1 20 ASN 6 2 15 1 6.7 -0.0 . 1 21 LEU 7 4 18 2 11.1 0.7 . 1 22 GLU 5 5 18 2 11.1 0.7 . 1 23 LYS 7 3 20 3 15.0 1.3 >sigma 1 24 GLU 5 1 15 1 6.7 -0.0 . 1 25 THR 4 0 17 0 0.0 -1.1 >sigma 1 26 GLU 5 0 15 0 0.0 -1.1 >sigma 1 27 GLY 3 1 13 1 7.7 0.2 . 1 28 LEU 7 1 21 1 4.8 -0.3 . 1 29 ARG 7 0 17 0 0.0 -1.1 >sigma 1 30 GLN 7 0 15 0 0.0 -1.1 >sigma 1 31 GLU 5 0 16 0 0.0 -1.1 >sigma 1 32 MET 6 2 16 1 6.3 -0.1 . 1 33 SER 4 2 15 2 13.3 1.0 >sigma 1 34 LYS 7 4 13 2 15.4 1.4 >sigma 1 35 ASP 4 3 17 2 11.8 0.8 . 1 36 LEU 7 5 20 1 5.0 -0.3 . 1 37 GLU 5 1 16 0 0.0 -1.1 >sigma 1 38 GLU 5 0 17 0 0.0 -1.1 >sigma 1 39 VAL 5 5 25 1 4.0 -0.4 . 1 40 LYS 7 2 19 2 10.5 0.6 . 1 41 ALA 3 3 14 1 7.1 0.1 . 1 42 LYS 7 2 16 0 0.0 -1.1 >sigma 1 43 VAL 5 3 29 0 0.0 -1.1 >sigma 1 44 GLN 7 0 19 0 0.0 -1.1 >sigma 1 45 PRO 5 0 20 0 0.0 -1.1 >sigma 1 46 TYR 6 7 22 2 9.1 0.4 . 1 47 LEU 7 7 23 3 13.0 1.0 . 1 48 ASP 4 5 14 2 14.3 1.2 >sigma 1 49 ASP 4 5 17 2 11.8 0.8 . 1 50 PHE 7 3 21 2 9.5 0.4 . 1 51 GLN 7 3 20 2 10.0 0.5 . 1 52 LYS 7 4 18 2 11.1 0.7 . 1 53 LYS 7 1 19 1 5.3 -0.2 . 1 54 TRP 10 3 27 1 3.7 -0.5 . 1 55 GLN 7 3 19 2 10.5 0.6 . 1 56 GLU 5 0 15 0 0.0 -1.1 >sigma 1 57 GLU 5 2 20 2 10.0 0.5 . 1 58 MET 6 3 36 3 8.3 0.3 . 1 59 GLU 5 2 16 2 12.5 0.9 . 1 60 LEU 7 3 24 3 12.5 0.9 . 1 61 TYR 6 1 26 1 3.8 -0.4 . 1 62 ARG 7 1 17 0 0.0 -1.1 >sigma 1 63 GLN 7 1 21 0 0.0 -1.1 >sigma 1 64 LYS 7 0 43 0 0.0 -1.1 >sigma 1 65 VAL 5 4 34 2 5.9 -0.1 . 1 66 GLU 5 2 15 2 13.3 1.0 >sigma 1 67 PRO 5 0 22 0 0.0 -1.1 >sigma 1 68 LEU 7 0 34 0 0.0 -1.1 >sigma 1 69 GLY 3 0 20 0 0.0 -1.1 >sigma 1 70 GLU 5 0 16 0 0.0 -1.1 >sigma 1 71 GLU 5 0 17 0 0.0 -1.1 >sigma 1 72 MET 6 0 21 0 0.0 -1.1 >sigma 1 73 ARG 7 0 37 0 0.0 -1.1 >sigma 1 74 ASP 4 0 18 0 0.0 -1.1 >sigma 1 75 ARG 7 0 17 0 0.0 -1.1 >sigma 1 76 ALA 3 0 19 0 0.0 -1.1 >sigma 1 77 ARG 7 0 21 0 0.0 -1.1 >sigma 1 78 ALA 3 0 17 0 0.0 -1.1 >sigma 1 79 HIS 6 0 14 0 0.0 -1.1 >sigma 1 80 VAL 5 0 26 0 0.0 -1.1 >sigma 1 81 ASP 4 0 19 0 0.0 -1.1 >sigma 1 82 ALA 3 0 13 0 0.0 -1.1 >sigma 1 83 LEU 7 0 17 0 0.0 -1.1 >sigma 1 84 ARG 7 0 28 0 0.0 -1.1 >sigma 1 85 THR 4 0 17 0 0.0 -1.1 >sigma 1 86 HIS 6 0 16 0 0.0 -1.1 >sigma 1 87 LEU 7 0 24 0 0.0 -1.1 >sigma 1 88 ALA 3 0 18 0 0.0 -1.1 >sigma 1 89 PRO 5 0 20 0 0.0 -1.1 >sigma 1 90 TYR 6 3 23 1 4.3 -0.4 . 1 91 SER 4 3 16 2 12.5 0.9 . 1 92 ASP 4 3 14 2 14.3 1.2 >sigma 1 93 GLU 5 4 19 2 10.5 0.6 . 1 94 LEU 7 2 20 2 10.0 0.5 . 1 95 ARG 7 2 20 2 10.0 0.5 . 1 96 GLN 7 3 18 2 11.1 0.7 . 1 97 ARG 7 3 16 2 12.5 0.9 . 1 98 LEU 7 6 21 3 14.3 1.2 >sigma 1 99 ALA 3 4 20 3 15.0 1.3 >sigma 1 100 ALA 3 3 20 2 10.0 0.5 . 1 101 ARG 7 4 15 2 13.3 1.0 >sigma 1 102 LEU 7 3 20 2 10.0 0.5 . 1 103 GLU 5 4 20 2 10.0 0.5 . 1 104 ALA 3 2 17 1 5.9 -0.1 . 1 105 LEU 7 2 15 1 6.7 -0.0 . 1 106 LYS 7 2 14 2 14.3 1.2 >sigma 1 107 GLU 5 3 14 3 21.4 2.3 >sigma 1 108 ASN 6 2 14 2 14.3 1.2 >sigma 1 109 GLY 3 3 15 3 20.0 2.1 >sigma 1 110 GLY 3 2 11 1 9.1 0.4 . 1 111 ALA 3 0 11 0 0.0 -1.1 >sigma 1 112 ARG 7 3 18 1 5.6 -0.2 . 1 113 LEU 7 3 16 2 12.5 0.9 . 1 114 ALA 3 1 13 1 7.7 0.2 . 1 115 GLU 5 0 13 0 0.0 -1.1 >sigma 1 116 TYR 6 2 25 1 4.0 -0.4 . 1 117 HIS 6 2 16 2 12.5 0.9 . 1 118 ALA 3 3 14 2 14.3 1.2 >sigma 1 119 LYS 7 2 19 2 10.5 0.6 . 1 120 ALA 3 2 19 2 10.5 0.6 . 1 121 THR 4 2 21 2 9.5 0.4 . 1 122 GLU 5 3 15 2 13.3 1.0 >sigma 1 123 HIS 6 2 15 2 13.3 1.0 >sigma 1 124 LEU 7 4 20 2 10.0 0.5 . 1 125 SER 4 2 14 2 14.3 1.2 >sigma 1 126 THR 4 3 12 2 16.7 1.6 >sigma 1 127 LEU 7 2 23 1 4.3 -0.4 . 1 128 SER 4 1 17 0 0.0 -1.1 >sigma 1 129 GLU 5 0 16 0 0.0 -1.1 >sigma 1 130 LYS 7 2 17 2 11.8 0.8 . 1 131 ALA 3 2 21 2 9.5 0.4 . 1 132 LYS 7 3 22 3 13.6 1.1 >sigma 1 133 PRO 5 0 21 0 0.0 -1.1 >sigma 1 134 ALA 3 3 15 1 6.7 -0.0 . 1 135 LEU 7 4 29 0 0.0 -1.1 >sigma 1 136 GLU 5 6 14 3 21.4 2.3 >sigma 1 137 ASP 4 4 13 3 23.1 2.6 >sigma 1 138 LEU 7 3 27 2 7.4 0.1 . 1 139 ARG 7 5 23 1 4.3 -0.4 . 1 140 GLN 7 4 18 2 11.1 0.7 . 1 141 GLY 3 4 14 2 14.3 1.2 >sigma 1 142 LEU 7 4 31 2 6.5 -0.0 . 1 143 LEU 7 2 18 1 5.6 -0.2 . 1 144 PRO 5 0 26 0 0.0 -1.1 >sigma 1 145 VAL 5 1 26 1 3.8 -0.4 . 1 146 LEU 7 3 29 2 6.9 0.0 . 1 147 GLU 5 2 22 1 4.5 -0.3 . 1 148 SER 4 0 14 0 0.0 -1.1 >sigma 1 149 PHE 7 3 14 1 7.1 0.1 . 1 150 LYS 7 4 22 2 9.1 0.4 . 1 151 VAL 5 3 22 2 9.1 0.4 . 1 152 SER 4 3 15 2 13.3 1.0 >sigma 1 153 PHE 7 2 17 2 11.8 0.8 . 1 154 LEU 7 1 25 1 4.0 -0.4 . 1 155 SER 4 0 15 0 0.0 -1.1 >sigma 1 156 ALA 3 1 16 0 0.0 -1.1 >sigma 1 157 LEU 7 1 32 0 0.0 -1.1 >sigma 1 158 GLU 5 0 23 0 0.0 -1.1 >sigma 1 159 GLU 5 0 17 0 0.0 -1.1 >sigma 1 160 TYR 6 0 16 0 0.0 -1.1 >sigma 1 161 THR 4 0 18 0 0.0 -1.1 >sigma 1 162 LYS 7 1 14 0 0.0 -1.1 >sigma 1 163 LYS 7 2 12 1 8.3 0.3 . 1 164 LEU 7 3 18 2 11.1 0.7 . 1 165 ASN 6 4 8 1 12.5 0.9 . 1 166 THR 4 0 7 0 0.0 -1.1 >sigma 1 167 GLN 7 1 4 0 0.0 -1.1 >sigma 2 1 SER 4 0 3 0 0.0 -1.1 >sigma 2 2 THR 4 0 7 0 0.0 -1.1 >sigma 2 3 PHE 7 2 13 0 0.0 -1.1 >sigma 2 4 SER 4 0 14 0 0.0 -1.1 >sigma 2 5 LYS 7 2 13 0 0.0 -1.1 >sigma 2 6 LEU 7 3 19 1 5.3 -0.2 . 2 7 ARG 7 5 18 2 11.1 0.7 . 2 8 GLU 5 2 14 2 14.3 1.2 >sigma 2 9 GLN 7 3 13 1 7.7 0.2 . 2 10 LEU 7 8 15 4 26.7 3.1 >sigma 2 11 GLY 3 3 8 2 25.0 2.9 >sigma 2 12 PRO 5 0 10 0 0.0 -1.1 >sigma 2 13 VAL 5 6 15 2 13.3 1.0 >sigma 2 14 THR 4 6 16 3 18.8 1.9 >sigma 2 15 GLN 7 3 15 2 13.3 1.0 >sigma 2 16 GLU 5 4 14 2 14.3 1.2 >sigma 2 17 PHE 7 3 19 1 5.3 -0.2 . 2 18 TRP 10 4 26 1 3.8 -0.4 . 2 19 ASP 4 5 15 2 13.3 1.0 >sigma 2 20 ASN 6 2 15 1 6.7 -0.0 . 2 21 LEU 7 4 18 2 11.1 0.7 . 2 22 GLU 5 5 20 2 10.0 0.5 . 2 23 LYS 7 3 20 3 15.0 1.3 >sigma 2 24 GLU 5 1 15 1 6.7 -0.0 . 2 25 THR 4 0 17 0 0.0 -1.1 >sigma 2 26 GLU 5 0 15 0 0.0 -1.1 >sigma 2 27 GLY 3 1 13 1 7.7 0.2 . 2 28 LEU 7 1 21 1 4.8 -0.3 . 2 29 ARG 7 0 17 0 0.0 -1.1 >sigma 2 30 GLN 7 0 15 0 0.0 -1.1 >sigma 2 31 GLU 5 0 16 0 0.0 -1.1 >sigma 2 32 MET 6 2 16 1 6.3 -0.1 . 2 33 SER 4 2 15 2 13.3 1.0 >sigma 2 34 LYS 7 4 13 2 15.4 1.4 >sigma 2 35 ASP 4 3 17 2 11.8 0.8 . 2 36 LEU 7 5 20 1 5.0 -0.3 . 2 37 GLU 5 1 16 0 0.0 -1.1 >sigma 2 38 GLU 5 0 17 0 0.0 -1.1 >sigma 2 39 VAL 5 5 25 1 4.0 -0.4 . 2 40 LYS 7 2 20 2 10.0 0.5 . 2 41 ALA 3 3 13 1 7.7 0.2 . 2 42 LYS 7 2 18 0 0.0 -1.1 >sigma 2 43 VAL 5 3 28 0 0.0 -1.1 >sigma 2 44 GLN 7 0 18 0 0.0 -1.1 >sigma 2 45 PRO 5 0 20 0 0.0 -1.1 >sigma 2 46 TYR 6 7 26 3 11.5 0.8 . 2 47 LEU 7 7 25 4 16.0 1.5 >sigma 2 48 ASP 4 5 14 2 14.3 1.2 >sigma 2 49 ASP 4 5 16 2 12.5 0.9 . 2 50 PHE 7 3 21 2 9.5 0.4 . 2 51 GLN 7 3 20 2 10.0 0.5 . 2 52 LYS 7 4 18 2 11.1 0.7 . 2 53 LYS 7 1 20 1 5.0 -0.3 . 2 54 TRP 10 3 26 1 3.8 -0.4 . 2 55 GLN 7 3 19 2 10.5 0.6 . 2 56 GLU 5 0 15 0 0.0 -1.1 >sigma 2 57 GLU 5 2 21 2 9.5 0.4 . 2 58 MET 6 3 39 3 7.7 0.2 . 2 59 GLU 5 2 16 2 12.5 0.9 . 2 60 LEU 7 3 23 3 13.0 1.0 . 2 61 TYR 6 1 27 1 3.7 -0.5 . 2 62 ARG 7 1 17 0 0.0 -1.1 >sigma 2 63 GLN 7 1 19 0 0.0 -1.1 >sigma 2 64 LYS 7 0 40 0 0.0 -1.1 >sigma 2 65 VAL 5 4 33 2 6.1 -0.1 . 2 66 GLU 5 2 17 2 11.8 0.8 . 2 67 PRO 5 0 23 0 0.0 -1.1 >sigma 2 68 LEU 7 0 38 0 0.0 -1.1 >sigma 2 69 GLY 3 0 18 0 0.0 -1.1 >sigma 2 70 GLU 5 0 18 0 0.0 -1.1 >sigma 2 71 GLU 5 0 19 0 0.0 -1.1 >sigma 2 72 MET 6 0 24 0 0.0 -1.1 >sigma 2 73 ARG 7 0 36 0 0.0 -1.1 >sigma 2 74 ASP 4 0 18 0 0.0 -1.1 >sigma 2 75 ARG 7 0 15 0 0.0 -1.1 >sigma 2 76 ALA 3 0 17 0 0.0 -1.1 >sigma 2 77 ARG 7 0 20 0 0.0 -1.1 >sigma 2 78 ALA 3 0 16 0 0.0 -1.1 >sigma 2 79 HIS 6 0 14 0 0.0 -1.1 >sigma 2 80 VAL 5 0 28 0 0.0 -1.1 >sigma 2 81 ASP 4 0 21 0 0.0 -1.1 >sigma 2 82 ALA 3 0 13 0 0.0 -1.1 >sigma 2 83 LEU 7 0 17 0 0.0 -1.1 >sigma 2 84 ARG 7 0 28 0 0.0 -1.1 >sigma 2 85 THR 4 0 17 0 0.0 -1.1 >sigma 2 86 HIS 6 0 16 0 0.0 -1.1 >sigma 2 87 LEU 7 0 24 0 0.0 -1.1 >sigma 2 88 ALA 3 0 18 0 0.0 -1.1 >sigma 2 89 PRO 5 0 20 0 0.0 -1.1 >sigma 2 90 TYR 6 3 23 1 4.3 -0.4 . 2 91 SER 4 3 16 2 12.5 0.9 . 2 92 ASP 4 3 14 2 14.3 1.2 >sigma 2 93 GLU 5 4 19 2 10.5 0.6 . 2 94 LEU 7 2 20 2 10.0 0.5 . 2 95 ARG 7 2 20 2 10.0 0.5 . 2 96 GLN 7 3 17 2 11.8 0.8 . 2 97 ARG 7 3 17 2 11.8 0.8 . 2 98 LEU 7 6 20 3 15.0 1.3 >sigma 2 99 ALA 3 4 20 3 15.0 1.3 >sigma 2 100 ALA 3 3 19 2 10.5 0.6 . 2 101 ARG 7 4 16 2 12.5 0.9 . 2 102 LEU 7 3 20 2 10.0 0.5 . 2 103 GLU 5 4 20 2 10.0 0.5 . 2 104 ALA 3 2 17 1 5.9 -0.1 . 2 105 LEU 7 2 16 1 6.3 -0.1 . 2 106 LYS 7 2 14 2 14.3 1.2 >sigma 2 107 GLU 5 3 14 3 21.4 2.3 >sigma 2 108 ASN 6 2 14 2 14.3 1.2 >sigma 2 109 GLY 3 3 15 3 20.0 2.1 >sigma 2 110 GLY 3 2 11 1 9.1 0.4 . 2 111 ALA 3 0 11 0 0.0 -1.1 >sigma 2 112 ARG 7 3 18 1 5.6 -0.2 . 2 113 LEU 7 3 18 2 11.1 0.7 . 2 114 ALA 3 1 13 1 7.7 0.2 . 2 115 GLU 5 0 13 0 0.0 -1.1 >sigma 2 116 TYR 6 2 26 1 3.8 -0.4 . 2 117 HIS 6 2 16 2 12.5 0.9 . 2 118 ALA 3 3 14 2 14.3 1.2 >sigma 2 119 LYS 7 2 19 2 10.5 0.6 . 2 120 ALA 3 2 19 2 10.5 0.6 . 2 121 THR 4 2 21 2 9.5 0.4 . 2 122 GLU 5 3 15 2 13.3 1.0 >sigma 2 123 HIS 6 2 15 2 13.3 1.0 >sigma 2 124 LEU 7 4 20 2 10.0 0.5 . 2 125 SER 4 2 14 2 14.3 1.2 >sigma 2 126 THR 4 3 12 2 16.7 1.6 >sigma 2 127 LEU 7 1 23 1 4.3 -0.4 . 2 128 SER 4 0 17 0 0.0 -1.1 >sigma 2 129 GLU 5 0 16 0 0.0 -1.1 >sigma 2 130 LYS 7 2 17 2 11.8 0.8 . 2 131 ALA 3 2 21 2 9.5 0.4 . 2 132 LYS 7 3 22 3 13.6 1.1 >sigma 2 133 PRO 5 0 21 0 0.0 -1.1 >sigma 2 134 ALA 3 3 15 1 6.7 -0.0 . 2 135 LEU 7 4 29 0 0.0 -1.1 >sigma 2 136 GLU 5 6 14 3 21.4 2.3 >sigma 2 137 ASP 4 4 13 3 23.1 2.6 >sigma 2 138 LEU 7 3 27 2 7.4 0.1 . 2 139 ARG 7 4 23 1 4.3 -0.4 . 2 140 GLN 7 3 18 2 11.1 0.7 . 2 141 GLY 3 4 14 2 14.3 1.2 >sigma 2 142 LEU 7 4 31 2 6.5 -0.0 . 2 143 LEU 7 2 18 1 5.6 -0.2 . 2 144 PRO 5 0 26 0 0.0 -1.1 >sigma 2 145 VAL 5 1 26 1 3.8 -0.4 . 2 146 LEU 7 3 29 2 6.9 0.0 . 2 147 GLU 5 2 22 1 4.5 -0.3 . 2 148 SER 4 0 14 0 0.0 -1.1 >sigma 2 149 PHE 7 3 14 1 7.1 0.1 . 2 150 LYS 7 4 22 2 9.1 0.4 . 2 151 VAL 5 3 22 2 9.1 0.4 . 2 152 SER 4 3 15 2 13.3 1.0 >sigma 2 153 PHE 7 2 17 2 11.8 0.8 . 2 154 LEU 7 1 25 1 4.0 -0.4 . 2 155 SER 4 0 15 0 0.0 -1.1 >sigma 2 156 ALA 3 1 16 0 0.0 -1.1 >sigma 2 157 LEU 7 1 32 0 0.0 -1.1 >sigma 2 158 GLU 5 0 23 0 0.0 -1.1 >sigma 2 159 GLU 5 0 17 0 0.0 -1.1 >sigma 2 160 TYR 6 0 16 0 0.0 -1.1 >sigma 2 161 THR 4 0 18 0 0.0 -1.1 >sigma 2 162 LYS 7 1 14 0 0.0 -1.1 >sigma 2 163 LYS 7 2 12 1 8.3 0.3 . 2 164 LEU 7 3 18 2 11.1 0.7 . 2 165 ASN 6 4 8 1 12.5 0.9 . 2 166 THR 4 0 7 0 0.0 -1.1 >sigma 2 167 GLN 7 1 4 0 0.0 -1.1 >sigma stop_ save_
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