NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
651844 | 6tvm | 34475 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6tvm save_NOE_Completeness _NOE_completeness_stats.Sf_category NOE_completeness_statistics _NOE_completeness_stats.Model_count 30 _NOE_completeness_stats.Residue_count 256 _NOE_completeness_stats.Total_atom_count 4152 _NOE_completeness_stats.Observable_atom_definition ob_standard _NOE_completeness_stats.Observable_atom_count 1474 _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 43.9 _NOE_completeness_stats.Constraint_unexpanded_count 3919 _NOE_completeness_stats.Constraint_count 3919 _NOE_completeness_stats.Constraint_exp_unfiltered_count 3606 _NOE_completeness_stats.Constraint_exceptional_count 0 _NOE_completeness_stats.Constraint_nonobservable_count 127 _NOE_completeness_stats.Constraint_intraresidue_count 1071 _NOE_completeness_stats.Constraint_surplus_count 275 _NOE_completeness_stats.Constraint_observed_count 2446 _NOE_completeness_stats.Constraint_expected_count 3359 _NOE_completeness_stats.Constraint_matched_count 1475 _NOE_completeness_stats.Constraint_unmatched_count 971 _NOE_completeness_stats.Constraint_exp_nonobs_count 1884 _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 811 1257 557 44.3 0.8 . medium-range 916 1047 463 44.2 0.7 . long-range 289 413 176 42.6 -1.2 >sigma intermolecular 430 642 279 43.5 -0.2 . 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 46 36 0 4 7 15 10 0 0 0 . 0 78.3 78.3 shell 2.00 2.50 280 201 0 19 74 58 32 12 6 0 . 0 71.8 72.7 shell 2.50 3.00 684 435 0 3 128 182 85 31 6 0 . 0 63.6 66.5 shell 3.00 3.50 844 367 0 0 11 117 157 69 11 2 . 0 43.5 56.0 shell 3.50 4.00 1505 436 0 0 1 37 243 120 24 7 . 4 29.0 43.9 shell 4.00 4.50 2264 490 0 0 0 5 109 273 86 15 . 2 21.6 34.9 shell 4.50 5.00 3130 281 0 0 0 0 10 127 110 34 . 0 9.0 25.7 shell 5.00 5.50 4126 138 0 0 0 0 0 10 71 57 . 0 3.3 18.5 shell 5.50 6.00 4835 20 0 0 0 0 0 0 14 6 . 0 0.4 13.6 shell 6.00 6.50 5116 0 0 0 0 0 0 0 0 0 . 0 0.0 10.5 shell 6.50 7.00 5884 0 0 0 0 0 0 0 0 0 . 0 0.0 8.4 shell 7.00 7.50 6251 0 0 0 0 0 0 0 0 0 . 0 0.0 6.9 shell 7.50 8.00 6650 0 0 0 0 0 0 0 0 0 . 0 0.0 5.8 shell 8.00 8.50 7308 0 0 0 0 0 0 0 0 0 . 0 0.0 4.9 shell 8.50 9.00 7988 2 0 0 0 0 0 0 0 0 . 2 0.0 4.2 sums . . 56911 2406 0 26 221 414 646 642 328 121 . 8 . . 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 -1.6 >sigma 1 2 ASN 6 0 7 0 0.0 -1.6 >sigma 1 3 ALA 3 0 9 0 0.0 -1.6 >sigma 1 4 ALA 3 0 9 0 0.0 -1.6 >sigma 1 5 SER 4 0 8 0 0.0 -1.6 >sigma 1 6 GLU 5 0 8 0 0.0 -1.6 >sigma 1 7 THR 4 0 15 0 0.0 -1.6 >sigma 1 8 SER 4 0 12 0 0.0 -1.6 >sigma 1 9 MET 6 24 46 18 39.1 0.1 . 1 10 ASP 4 9 22 8 36.4 -0.0 . 1 11 SER 4 6 17 4 23.5 -0.6 . 1 12 ARG 7 25 44 16 36.4 -0.0 . 1 13 LEU 7 62 65 39 60.0 1.0 . 1 14 GLN 7 18 23 9 39.1 0.1 . 1 15 ARG 7 19 26 14 53.8 0.7 . 1 16 ILE 6 53 55 36 65.5 1.2 >sigma 1 17 HIS 6 24 32 13 40.6 0.2 . 1 18 ALA 3 23 22 14 63.6 1.1 >sigma 1 19 GLU 5 18 25 11 44.0 0.3 . 1 20 ILE 6 44 57 25 43.9 0.3 . 1 21 LYS 7 27 35 14 40.0 0.1 . 1 22 ASN 6 18 26 13 50.0 0.6 . 1 23 SER 4 19 28 8 28.6 -0.3 . 1 24 LEU 7 57 56 31 55.4 0.8 . 1 25 LYS 7 34 41 16 39.0 0.1 . 1 26 ILE 6 30 58 20 34.5 -0.1 . 1 27 ASP 4 16 25 14 56.0 0.8 . 1 28 ASN 6 23 17 11 64.7 1.2 >sigma 1 29 LEU 7 37 43 20 46.5 0.4 . 1 30 ASP 4 15 19 8 42.1 0.2 . 1 31 VAL 5 37 38 24 63.2 1.1 >sigma 1 32 ASN 6 16 14 9 64.3 1.2 >sigma 1 33 ARG 7 16 27 9 33.3 -0.1 . 1 34 CYS 4 29 36 19 52.8 0.7 . 1 35 ILE 6 44 48 29 60.4 1.0 >sigma 1 36 GLU 5 24 21 15 71.4 1.5 >sigma 1 37 ALA 3 32 30 17 56.7 0.8 . 1 38 LEU 7 58 63 34 54.0 0.7 . 1 39 ASP 4 21 20 13 65.0 1.2 >sigma 1 40 GLU 5 20 25 10 40.0 0.1 . 1 41 LEU 7 60 64 38 59.4 1.0 . 1 42 ALA 3 30 26 17 65.4 1.2 >sigma 1 43 SER 4 11 13 3 23.1 -0.6 . 1 44 LEU 7 40 49 23 46.9 0.4 . 1 45 GLN 7 6 7 4 57.1 0.9 . 1 46 VAL 5 45 48 29 60.4 1.0 >sigma 1 47 THR 4 25 21 14 66.7 1.3 >sigma 1 48 MET 6 25 28 16 57.1 0.9 . 1 49 GLN 7 19 20 13 65.0 1.2 >sigma 1 50 GLN 7 26 29 17 58.6 0.9 . 1 51 ALA 3 39 29 20 69.0 1.4 >sigma 1 52 GLN 7 27 27 19 70.4 1.4 >sigma 1 53 LYS 7 14 13 7 53.8 0.7 . 1 54 HIS 6 27 35 15 42.9 0.3 . 1 55 THR 4 21 20 15 75.0 1.6 >sigma 1 56 GLU 5 6 14 3 21.4 -0.6 . 1 57 MET 6 39 55 26 47.3 0.4 . 1 58 ILE 6 63 58 36 62.1 1.1 >sigma 1 59 THR 4 12 21 8 38.1 0.1 . 1 60 THR 4 23 33 13 39.4 0.1 . 1 61 LEU 7 61 64 37 57.8 0.9 . 1 62 LYS 7 21 55 10 18.2 -0.8 . 1 63 LYS 7 18 42 9 21.4 -0.6 . 1 64 ILE 6 52 61 28 45.9 0.4 . 1 65 ARG 7 18 42 10 23.8 -0.5 . 1 66 ARG 7 12 39 6 15.4 -0.9 . 1 67 PHE 7 37 60 23 38.3 0.1 . 1 68 LYS 7 7 17 3 17.6 -0.8 . 1 69 VAL 5 21 45 15 33.3 -0.1 . 1 70 SER 4 24 23 16 69.6 1.4 >sigma 1 71 GLN 7 9 21 8 38.1 0.1 . 1 72 VAL 5 29 37 17 45.9 0.4 . 1 73 ILE 6 54 76 41 53.9 0.7 . 1 74 MET 6 24 33 14 42.4 0.2 . 1 75 GLU 5 16 22 12 54.5 0.8 . 1 76 LYS 7 26 40 15 37.5 0.0 . 1 77 SER 4 24 37 18 48.6 0.5 . 1 78 THR 4 19 22 11 50.0 0.6 . 1 79 MET 6 25 27 12 44.4 0.3 . 1 80 LEU 7 54 59 33 55.9 0.8 . 1 81 TYR 6 43 49 25 51.0 0.6 . 1 82 ASN 6 20 23 13 56.5 0.8 . 1 83 LYS 7 32 41 17 41.5 0.2 . 1 84 PHE 7 65 57 40 70.2 1.4 >sigma 1 85 LYS 7 26 33 15 45.5 0.4 . 1 86 ASN 6 23 20 15 75.0 1.6 >sigma 1 87 MET 6 33 36 21 58.3 0.9 . 1 88 PHE 7 43 36 22 61.1 1.0 >sigma 1 89 LEU 7 28 30 15 50.0 0.6 . 1 90 VAL 5 13 17 10 58.8 0.9 . 1 91 GLY 3 4 9 3 33.3 -0.1 . 1 92 GLU 5 1 8 1 12.5 -1.0 >sigma 1 93 GLY 3 1 7 1 14.3 -0.9 . 1 94 ASP 4 0 7 0 0.0 -1.6 >sigma 1 95 SER 4 4 8 3 37.5 0.0 . 1 96 VAL 5 7 9 6 66.7 1.3 >sigma 1 97 ILE 6 6 10 6 60.0 1.0 . 1 98 THR 4 4 9 4 44.4 0.3 . 1 99 GLN 7 3 9 3 33.3 -0.1 . 1 100 VAL 5 7 9 6 66.7 1.3 >sigma 1 101 LEU 7 6 8 5 62.5 1.1 >sigma 1 102 ASN 6 1 12 1 8.3 -1.2 >sigma 1 103 LYS 7 4 13 2 15.4 -0.9 . 1 104 SER 4 19 13 0 0.0 -1.6 >sigma 1 105 LEU 7 4 20 3 15.0 -0.9 . 1 106 ALA 3 11 22 7 31.8 -0.2 . 1 107 GLU 5 5 14 4 28.6 -0.3 . 1 108 GLN 7 3 13 3 23.1 -0.6 . 1 109 ARG 7 1 30 1 3.3 -1.4 >sigma 1 110 GLN 7 0 14 0 0.0 -1.6 >sigma 1 111 HIS 6 2 13 2 15.4 -0.9 . 1 112 GLU 5 5 20 4 20.0 -0.7 . 1 113 GLU 5 6 15 5 33.3 -0.1 . 1 114 ALA 3 5 10 4 40.0 0.1 . 1 115 ASN 6 1 10 1 10.0 -1.1 >sigma 1 116 LYS 7 1 10 0 0.0 -1.6 >sigma 1 117 THR 4 2 9 0 0.0 -1.6 >sigma 1 118 LYS 7 0 10 0 0.0 -1.6 >sigma 1 119 ASP 4 0 10 0 0.0 -1.6 >sigma 1 120 GLN 7 0 9 0 0.0 -1.6 >sigma 1 121 GLY 3 0 8 0 0.0 -1.6 >sigma 1 122 LYS 7 0 8 0 0.0 -1.6 >sigma 1 123 LYS 7 0 10 0 0.0 -1.6 >sigma 1 124 GLY 3 0 8 0 0.0 -1.6 >sigma 1 125 PRO 5 0 7 0 0.0 -1.6 >sigma 1 126 ASN 6 0 8 0 0.0 -1.6 >sigma 1 127 LYS 7 0 9 0 0.0 -1.6 >sigma 1 128 LYS 7 0 5 0 0.0 -1.6 >sigma 2 1 SER 4 0 3 0 0.0 -1.6 >sigma 2 2 ASN 6 0 8 0 0.0 -1.6 >sigma 2 3 ALA 3 0 9 0 0.0 -1.6 >sigma 2 4 ALA 3 0 8 0 0.0 -1.6 >sigma 2 5 SER 4 0 8 0 0.0 -1.6 >sigma 2 6 GLU 5 0 8 0 0.0 -1.6 >sigma 2 7 THR 4 0 15 0 0.0 -1.6 >sigma 2 8 SER 4 0 13 0 0.0 -1.6 >sigma 2 9 MET 6 24 46 18 39.1 0.1 . 2 10 ASP 4 9 22 8 36.4 -0.0 . 2 11 SER 4 6 17 4 23.5 -0.6 . 2 12 ARG 7 24 45 15 33.3 -0.1 . 2 13 LEU 7 62 62 37 59.7 1.0 . 2 14 GLN 7 18 24 9 37.5 0.0 . 2 15 ARG 7 19 26 13 50.0 0.6 . 2 16 ILE 6 53 54 34 63.0 1.1 >sigma 2 17 HIS 6 24 32 13 40.6 0.2 . 2 18 ALA 3 23 20 14 70.0 1.4 >sigma 2 19 GLU 5 18 23 10 43.5 0.3 . 2 20 ILE 6 44 57 25 43.9 0.3 . 2 21 LYS 7 27 30 14 46.7 0.4 . 2 22 ASN 6 18 24 13 54.2 0.7 . 2 23 SER 4 19 28 8 28.6 -0.3 . 2 24 LEU 7 57 55 30 54.5 0.8 . 2 25 LYS 7 34 41 16 39.0 0.1 . 2 26 ILE 6 30 60 20 33.3 -0.1 . 2 27 ASP 4 16 25 14 56.0 0.8 . 2 28 ASN 6 23 17 11 64.7 1.2 >sigma 2 29 LEU 7 37 43 19 44.2 0.3 . 2 30 ASP 4 15 20 8 40.0 0.1 . 2 31 VAL 5 37 38 23 60.5 1.0 >sigma 2 32 ASN 6 16 14 9 64.3 1.2 >sigma 2 33 ARG 7 16 27 9 33.3 -0.1 . 2 34 CYS 4 29 36 19 52.8 0.7 . 2 35 ILE 6 44 49 29 59.2 1.0 . 2 36 GLU 5 24 21 15 71.4 1.5 >sigma 2 37 ALA 3 32 29 16 55.2 0.8 . 2 38 LEU 7 58 65 35 53.8 0.7 . 2 39 ASP 4 21 19 13 68.4 1.3 >sigma 2 40 GLU 5 20 26 10 38.5 0.1 . 2 41 LEU 7 60 63 38 60.3 1.0 . 2 42 ALA 3 30 26 17 65.4 1.2 >sigma 2 43 SER 4 11 13 3 23.1 -0.6 . 2 44 LEU 7 39 48 20 41.7 0.2 . 2 45 GLN 7 6 7 4 57.1 0.9 . 2 46 VAL 5 45 47 28 59.6 1.0 . 2 47 THR 4 25 21 14 66.7 1.3 >sigma 2 48 MET 6 25 29 16 55.2 0.8 . 2 49 GLN 7 19 20 13 65.0 1.2 >sigma 2 50 GLN 7 26 30 18 60.0 1.0 . 2 51 ALA 3 39 29 20 69.0 1.4 >sigma 2 52 GLN 7 27 27 19 70.4 1.4 >sigma 2 53 LYS 7 14 13 7 53.8 0.7 . 2 54 HIS 6 27 30 13 43.3 0.3 . 2 55 THR 4 21 19 15 78.9 1.8 >sigma 2 56 GLU 5 6 14 3 21.4 -0.6 . 2 57 MET 6 39 54 25 46.3 0.4 . 2 58 ILE 6 63 57 36 63.2 1.1 >sigma 2 59 THR 4 12 21 8 38.1 0.1 . 2 60 THR 4 23 34 13 38.2 0.1 . 2 61 LEU 7 61 65 37 56.9 0.9 . 2 62 LYS 7 21 54 10 18.5 -0.8 . 2 63 LYS 7 18 40 9 22.5 -0.6 . 2 64 ILE 6 52 62 28 45.2 0.4 . 2 65 ARG 7 18 42 10 23.8 -0.5 . 2 66 ARG 7 12 35 6 17.1 -0.8 . 2 67 PHE 7 37 57 22 38.6 0.1 . 2 68 LYS 7 7 17 3 17.6 -0.8 . 2 69 VAL 5 21 43 15 34.9 -0.1 . 2 70 SER 4 24 22 16 72.7 1.5 >sigma 2 71 GLN 7 9 21 8 38.1 0.1 . 2 72 VAL 5 29 37 17 45.9 0.4 . 2 73 ILE 6 54 75 41 54.7 0.8 . 2 74 MET 6 24 33 14 42.4 0.2 . 2 75 GLU 5 16 22 12 54.5 0.8 . 2 76 LYS 7 26 40 14 35.0 -0.1 . 2 77 SER 4 24 37 18 48.6 0.5 . 2 78 THR 4 19 22 11 50.0 0.6 . 2 79 MET 6 25 26 12 46.2 0.4 . 2 80 LEU 7 54 62 34 54.8 0.8 . 2 81 TYR 6 43 48 25 52.1 0.6 . 2 82 ASN 6 20 23 13 56.5 0.8 . 2 83 LYS 7 32 42 18 42.9 0.3 . 2 84 PHE 7 65 59 40 67.8 1.3 >sigma 2 85 LYS 7 26 32 15 46.9 0.4 . 2 86 ASN 6 23 20 15 75.0 1.6 >sigma 2 87 MET 6 33 35 21 60.0 1.0 . 2 88 PHE 7 43 37 22 59.5 1.0 . 2 89 LEU 7 29 30 16 53.3 0.7 . 2 90 VAL 5 14 17 11 64.7 1.2 >sigma 2 91 GLY 3 4 9 3 33.3 -0.1 . 2 92 GLU 5 1 9 1 11.1 -1.1 >sigma 2 93 GLY 3 1 8 1 12.5 -1.0 >sigma 2 94 ASP 4 0 7 0 0.0 -1.6 >sigma 2 95 SER 4 4 7 3 42.9 0.3 . 2 96 VAL 5 7 8 6 75.0 1.6 >sigma 2 97 ILE 6 6 9 5 55.6 0.8 . 2 98 THR 4 4 8 3 37.5 0.0 . 2 99 GLN 7 3 8 2 25.0 -0.5 . 2 100 VAL 5 7 9 6 66.7 1.3 >sigma 2 101 LEU 7 6 10 6 60.0 1.0 . 2 102 ASN 6 1 13 1 7.7 -1.2 >sigma 2 103 LYS 7 4 12 2 16.7 -0.8 . 2 104 SER 4 19 13 0 0.0 -1.6 >sigma 2 105 LEU 7 4 20 3 15.0 -0.9 . 2 106 ALA 3 11 21 7 33.3 -0.1 . 2 107 GLU 5 5 14 4 28.6 -0.3 . 2 108 GLN 7 3 13 3 23.1 -0.6 . 2 109 ARG 7 1 31 1 3.2 -1.4 >sigma 2 110 GLN 7 0 14 0 0.0 -1.6 >sigma 2 111 HIS 6 2 13 2 15.4 -0.9 . 2 112 GLU 5 5 20 4 20.0 -0.7 . 2 113 GLU 5 6 15 5 33.3 -0.1 . 2 114 ALA 3 5 10 4 40.0 0.1 . 2 115 ASN 6 1 10 1 10.0 -1.1 >sigma 2 116 LYS 7 1 10 0 0.0 -1.6 >sigma 2 117 THR 4 2 9 0 0.0 -1.6 >sigma 2 118 LYS 7 0 10 0 0.0 -1.6 >sigma 2 119 ASP 4 0 10 0 0.0 -1.6 >sigma 2 120 GLN 7 0 9 0 0.0 -1.6 >sigma 2 121 GLY 3 0 8 0 0.0 -1.6 >sigma 2 122 LYS 7 0 8 0 0.0 -1.6 >sigma 2 123 LYS 7 0 10 0 0.0 -1.6 >sigma 2 124 GLY 3 0 8 0 0.0 -1.6 >sigma 2 125 PRO 5 0 7 0 0.0 -1.6 >sigma 2 126 ASN 6 0 8 0 0.0 -1.6 >sigma 2 127 LYS 7 0 9 0 0.0 -1.6 >sigma 2 128 LYS 7 0 5 0 0.0 -1.6 >sigma stop_ save_
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