NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577722 |
2mhk   |
18853 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2mhk
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 3916
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1403
_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 47.5
_NOE_completeness_stats.Constraint_unexpanded_count 5339
_NOE_completeness_stats.Constraint_count 5612
_NOE_completeness_stats.Constraint_exp_unfiltered_count 5506
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 0
_NOE_completeness_stats.Constraint_intraresidue_count 1764
_NOE_completeness_stats.Constraint_surplus_count 313
_NOE_completeness_stats.Constraint_observed_count 3535
_NOE_completeness_stats.Constraint_expected_count 5243
_NOE_completeness_stats.Constraint_matched_count 2489
_NOE_completeness_stats.Constraint_unmatched_count 1046
_NOE_completeness_stats.Constraint_exp_nonobs_count 2754
_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 1137 1465 882 60.2 1.0 .
medium-range 1215 1619 752 46.4 -0.2 .
long-range 1183 2159 855 39.6 -0.8 .
intermolecular 0 0 0 . . "no multimer"
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 2.00 279 184 30 59 58 25 5 3 1 0 . 0 65.9 65.9
shell 2.00 2.50 602 398 35 77 152 79 39 5 5 0 . 3 66.1 66.1
shell 2.50 3.00 884 519 6 106 151 163 59 16 8 1 . 9 58.7 62.4
shell 3.00 3.50 1382 667 0 23 228 205 132 48 19 2 . 10 48.3 56.2
shell 3.50 4.00 2096 721 0 2 72 315 184 97 27 4 . 20 34.4 47.5
shell 4.00 4.50 3084 565 0 1 10 88 285 115 40 14 . 12 18.3 36.7
shell 4.50 5.00 3967 332 0 0 1 19 55 185 49 13 . 10 8.4 27.5
shell 5.00 5.50 4657 100 0 0 3 3 11 25 42 14 . 2 2.1 20.6
shell 5.50 6.00 5332 25 0 0 0 1 6 3 8 6 . 1 0.5 15.8
shell 6.00 6.50 6061 17 0 0 0 0 1 5 3 2 . 6 0.3 12.4
shell 6.50 7.00 6888 3 0 0 0 1 0 1 0 1 . 0 0.0 10.0
shell 7.00 7.50 7484 2 0 0 0 0 0 1 1 0 . 0 0.0 8.3
shell 7.50 8.00 8371 2 0 0 0 0 0 2 0 0 . 0 0.0 6.9
shell 8.00 8.50 8732 0 0 0 0 0 0 0 0 0 . 0 0.0 5.9
shell 8.50 9.00 9316 0 0 0 0 0 0 0 0 0 . 0 0.0 5.1
sums . . 69135 3535 71 268 675 899 777 506 203 57 . 73 . .
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 3 0 0.0 -2.7 >sigma
1 2 GLY 3 0 6 0 0.0 -2.7 >sigma
1 3 SER 4 0 7 0 0.0 -2.7 >sigma
1 4 SER 4 0 8 0 0.0 -2.7 >sigma
1 5 HIS 6 0 8 0 0.0 -2.7 >sigma
1 6 HIS 6 0 8 0 0.0 -2.7 >sigma
1 7 HIS 6 0 8 0 0.0 -2.7 >sigma
1 8 HIS 6 0 8 0 0.0 -2.7 >sigma
1 9 HIS 6 0 7 0 0.0 -2.7 >sigma
1 10 HIS 6 0 7 0 0.0 -2.7 >sigma
1 11 SER 4 0 9 0 0.0 -2.7 >sigma
1 12 SER 4 1 7 1 14.3 -1.9 >sigma
1 13 GLY 3 6 7 3 42.9 -0.3 .
1 14 LEU 7 6 6 4 66.7 1.1 >sigma
1 15 VAL 5 6 8 4 50.0 0.1 .
1 16 PRO 5 6 9 4 44.4 -0.2 .
1 17 ARG 7 11 16 9 56.3 0.5 .
1 18 GLY 3 2 5 2 40.0 -0.4 .
1 19 SER 4 0 9 0 0.0 -2.7 >sigma
1 20 HIS 6 1 5 1 20.0 -1.6 >sigma
1 21 MET 6 5 9 3 33.3 -0.8 .
1 22 GLY 3 5 7 3 42.9 -0.3 .
1 23 THR 4 5 7 3 42.9 -0.3 .
1 24 HIS 6 7 6 4 66.7 1.1 >sigma
1 25 THR 4 7 9 5 55.6 0.4 .
1 26 PRO 5 14 35 12 34.3 -0.8 .
1 27 ASP 4 10 14 7 50.0 0.1 .
1 28 GLN 7 20 27 12 44.4 -0.2 .
1 29 SER 4 18 32 10 31.3 -0.9 .
1 30 THR 4 33 39 23 59.0 0.6 .
1 31 ALA 3 27 34 19 55.9 0.5 .
1 32 TYR 6 51 61 38 62.3 0.8 .
1 33 MET 6 28 53 22 41.5 -0.3 .
1 34 GLN 7 27 31 16 51.6 0.2 .
1 35 GLY 3 19 13 12 92.3 2.5 >sigma
1 36 THR 4 15 20 12 60.0 0.7 .
1 37 ALA 3 28 25 20 80.0 1.8 >sigma
1 38 GLN 7 14 13 8 61.5 0.8 .
1 39 ALA 3 19 18 13 72.2 1.4 >sigma
1 40 ASP 4 17 14 9 64.3 0.9 .
1 41 SER 4 24 36 15 41.7 -0.3 .
1 42 ALA 3 18 20 14 70.0 1.3 >sigma
1 43 PHE 7 29 52 18 34.6 -0.7 .
1 44 TYR 6 42 64 30 46.9 -0.0 .
1 45 LEU 7 27 54 23 42.6 -0.3 .
1 46 GLN 7 23 33 17 51.5 0.2 .
1 47 GLN 7 33 41 23 56.1 0.5 .
1 48 MET 6 39 59 32 54.2 0.4 .
1 49 GLN 7 10 17 9 52.9 0.3 .
1 50 GLN 7 13 19 11 57.9 0.6 .
1 51 SER 4 13 23 8 34.8 -0.7 .
1 52 SER 4 19 23 12 52.2 0.3 .
1 53 ASP 4 12 14 6 42.9 -0.3 .
1 54 ASP 4 14 17 9 52.9 0.3 .
1 55 THR 4 23 32 17 53.1 0.3 .
1 56 ARG 7 19 48 14 29.2 -1.0 >sigma
1 57 ILE 6 35 81 24 29.6 -1.0 >sigma
1 58 ASN 6 15 39 12 30.8 -1.0 .
1 59 TRP 10 36 68 23 33.8 -0.8 .
1 60 GLN 7 26 83 20 24.1 -1.3 >sigma
1 61 LEU 7 10 67 7 10.4 -2.1 >sigma
1 62 LEU 7 45 69 29 42.0 -0.3 .
1 63 ALA 3 30 43 24 55.8 0.5 .
1 64 ILE 6 52 100 43 43.0 -0.3 .
1 65 ARG 7 23 52 21 40.4 -0.4 .
1 66 ALA 3 25 34 20 58.8 0.6 .
1 67 LEU 7 25 81 20 24.7 -1.3 >sigma
1 68 VAL 5 38 59 29 49.2 0.1 .
1 69 LYS 7 16 24 13 54.2 0.4 .
1 70 GLU 5 24 39 16 41.0 -0.4 .
1 71 GLY 3 12 15 9 60.0 0.7 .
1 72 LYS 7 21 43 15 34.9 -0.7 .
1 73 THR 4 44 45 29 64.4 0.9 .
1 74 GLY 3 29 20 16 80.0 1.8 >sigma
1 75 GLN 7 30 41 20 48.8 0.1 .
1 76 ALA 3 34 46 25 54.3 0.4 .
1 77 VAL 5 49 49 31 63.3 0.9 .
1 78 GLU 5 24 29 18 62.1 0.8 .
1 79 LEU 7 43 75 33 44.0 -0.2 .
1 80 PHE 7 75 85 60 70.6 1.3 >sigma
1 81 ASN 6 20 20 12 60.0 0.7 .
1 82 GLN 7 18 32 12 37.5 -0.6 .
1 83 LEU 7 40 89 28 31.5 -0.9 .
1 84 PRO 5 29 31 18 58.1 0.6 .
1 85 GLN 7 14 18 12 66.7 1.1 >sigma
1 86 GLU 5 16 21 15 71.4 1.3 >sigma
1 87 LEU 7 54 71 35 49.3 0.1 .
1 88 ASN 6 17 20 8 40.0 -0.4 .
1 89 ASP 4 14 15 9 60.0 0.7 .
1 90 ALA 3 13 24 10 41.7 -0.3 .
1 91 GLN 7 25 53 17 32.1 -0.9 .
1 92 ARG 7 37 45 26 57.8 0.6 .
1 93 ARG 7 32 71 24 33.8 -0.8 .
1 94 GLU 5 7 31 4 12.9 -2.0 >sigma
1 95 LYS 7 46 83 30 36.1 -0.6 .
1 96 THR 4 47 48 31 64.6 1.0 .
1 97 LEU 7 33 71 32 45.1 -0.1 .
1 98 LEU 7 50 95 34 35.8 -0.7 .
1 99 ALA 3 48 45 31 68.9 1.2 >sigma
1 100 VAL 5 54 76 41 53.9 0.4 .
1 101 GLU 5 14 36 11 30.6 -1.0 .
1 102 ILE 6 84 80 53 66.3 1.1 >sigma
1 103 LYS 7 35 77 26 33.8 -0.8 .
1 104 LEU 7 48 63 33 52.4 0.3 .
1 105 ALA 3 26 28 18 64.3 0.9 .
1 106 GLN 7 36 45 26 57.8 0.6 .
1 107 LYS 7 26 28 16 57.1 0.5 .
1 108 ASP 4 23 28 13 46.4 -0.1 .
1 109 PHE 7 39 51 27 52.9 0.3 .
1 110 ALA 3 16 14 14 100.0 3.0 >sigma
1 111 GLY 3 17 22 11 50.0 0.1 .
1 112 ALA 3 33 52 25 48.1 0.0 .
1 113 GLN 7 40 54 28 51.9 0.2 .
1 114 ASN 6 29 33 21 63.6 0.9 .
1 115 LEU 7 42 76 38 50.0 0.1 .
1 116 LEU 7 74 88 56 63.6 0.9 .
1 117 ALA 3 9 22 8 36.4 -0.6 .
1 118 LYS 7 13 32 11 34.4 -0.7 .
1 119 ILE 6 59 75 43 57.3 0.5 .
1 120 THR 4 29 34 19 55.9 0.5 .
1 121 PRO 5 47 45 32 71.1 1.3 >sigma
1 122 ALA 3 18 15 13 86.7 2.2 >sigma
1 123 ASP 4 25 34 18 52.9 0.3 .
1 124 LEU 7 67 71 41 57.7 0.6 .
1 125 GLU 5 24 38 17 44.7 -0.2 .
1 126 GLN 7 26 35 19 54.3 0.4 .
1 127 ASN 6 26 28 18 64.3 0.9 .
1 128 GLN 7 24 48 17 35.4 -0.7 .
1 129 GLN 7 43 72 32 44.4 -0.2 .
1 130 ALA 3 30 39 21 53.8 0.4 .
1 131 ARG 7 6 28 6 21.4 -1.5 >sigma
1 132 TYR 6 67 73 49 67.1 1.1 >sigma
1 133 TRP 10 65 96 47 49.0 0.1 .
1 134 GLN 7 10 26 8 30.8 -1.0 .
1 135 ALA 3 26 35 20 57.1 0.5 .
1 136 LYS 7 76 97 51 52.6 0.3 .
1 137 ILE 6 50 66 35 53.0 0.3 .
1 138 ASP 4 33 25 21 84.0 2.1 >sigma
1 139 ALA 3 31 39 22 56.4 0.5 .
1 140 SER 4 36 41 25 61.0 0.8 .
1 141 GLN 7 33 35 22 62.9 0.9 .
1 142 GLY 3 21 17 13 76.5 1.6 >sigma
1 143 ARG 7 25 34 19 55.9 0.5 .
1 144 PRO 5 12 28 8 28.6 -1.1 >sigma
1 145 SER 4 13 23 9 39.1 -0.5 .
1 146 ILE 6 71 94 56 59.6 0.7 .
1 147 ASP 4 20 33 16 48.5 0.0 .
1 148 LEU 7 31 73 25 34.2 -0.8 .
1 149 LEU 7 54 95 40 42.1 -0.3 .
1 150 ARG 7 36 66 25 37.9 -0.6 .
1 151 ALA 3 30 48 24 50.0 0.1 .
1 152 LEU 7 32 84 23 27.4 -1.1 >sigma
1 153 ILE 6 45 81 33 40.7 -0.4 .
1 154 ALA 3 40 33 23 69.7 1.2 >sigma
1 155 GLN 7 22 62 13 21.0 -1.5 >sigma
1 156 GLU 5 13 51 10 19.6 -1.6 >sigma
1 157 PRO 5 12 24 8 33.3 -0.8 .
1 158 LEU 7 44 67 34 50.7 0.2 .
1 159 LEU 7 59 73 40 54.8 0.4 .
1 160 GLY 3 25 27 15 55.6 0.4 .
1 161 ALA 3 17 22 11 50.0 0.1 .
1 162 LYS 7 18 30 14 46.7 -0.1 .
1 163 GLU 5 42 54 32 59.3 0.7 .
1 164 LYS 7 32 78 25 32.1 -0.9 .
1 165 GLN 7 11 24 9 37.5 -0.6 .
1 166 GLN 7 25 36 19 52.8 0.3 .
1 167 ASN 6 26 57 21 36.8 -0.6 .
1 168 ILE 6 52 77 40 51.9 0.2 .
1 169 ASP 4 18 27 13 48.1 0.0 .
1 170 ALA 3 17 32 14 43.8 -0.2 .
1 171 THR 4 42 52 27 51.9 0.2 .
1 172 TRP 10 58 118 45 38.1 -0.5 .
1 173 GLN 7 24 34 15 44.1 -0.2 .
1 174 ALA 3 43 44 31 70.5 1.3 >sigma
1 175 LEU 7 85 94 45 47.9 0.0 .
1 176 SER 4 32 28 13 46.4 -0.1 .
1 177 SER 4 18 16 9 56.3 0.5 .
1 178 MET 6 66 76 42 55.3 0.4 .
1 179 THR 4 30 28 22 78.6 1.7 >sigma
1 180 GLN 7 44 50 31 62.0 0.8 .
1 181 GLU 5 23 19 14 73.7 1.5 >sigma
1 182 GLN 7 32 56 27 48.2 0.0 .
1 183 ALA 3 39 58 33 56.9 0.5 .
1 184 ASN 6 26 34 17 50.0 0.1 .
1 185 THR 4 19 20 13 65.0 1.0 .
1 186 LEU 7 40 78 36 46.2 -0.1 .
1 187 VAL 5 10 18 8 44.4 -0.2 .
1 188 ILE 6 36 67 27 40.3 -0.4 .
1 189 ASN 6 21 33 14 42.4 -0.3 .
1 190 ALA 3 11 13 8 61.5 0.8 .
1 191 ASP 4 11 15 7 46.7 -0.1 .
1 192 GLU 5 25 43 23 53.5 0.3 .
1 193 ASN 6 22 25 13 52.0 0.2 .
1 194 ILE 6 62 72 44 61.1 0.8 .
1 195 LEU 7 46 97 37 38.1 -0.5 .
1 196 GLN 7 26 59 20 33.9 -0.8 .
1 197 GLY 3 20 24 15 62.5 0.8 .
1 198 TRP 10 61 102 43 42.2 -0.3 .
1 199 LEU 7 40 85 25 29.4 -1.0 >sigma
1 200 ASP 4 23 27 16 59.3 0.7 .
1 201 LEU 7 69 89 42 47.2 -0.0 .
1 202 GLN 7 50 86 32 37.2 -0.6 .
1 203 ARG 7 38 68 25 36.8 -0.6 .
1 204 VAL 5 44 44 28 63.6 0.9 .
1 205 TRP 10 58 72 33 45.8 -0.1 .
1 206 PHE 7 45 59 37 62.7 0.9 .
1 207 ASP 4 14 15 10 66.7 1.1 >sigma
1 208 ASN 6 23 40 12 30.0 -1.0 .
1 209 ARG 7 34 35 20 57.1 0.5 .
1 210 ASN 6 16 23 10 43.5 -0.2 .
1 211 ASP 4 18 19 10 52.6 0.3 .
1 212 PRO 5 31 40 23 57.5 0.6 .
1 213 ASP 4 12 18 11 61.1 0.8 .
1 214 MET 6 23 29 15 51.7 0.2 .
1 215 MET 6 62 77 41 53.2 0.3 .
1 216 LYS 7 30 53 25 47.2 -0.0 .
1 217 ALA 3 18 21 14 66.7 1.1 >sigma
1 218 GLY 3 34 26 21 80.8 1.9 >sigma
1 219 ILE 6 75 87 53 60.9 0.8 .
1 220 ALA 3 18 30 13 43.3 -0.2 .
1 221 ASP 4 31 21 18 85.7 2.2 >sigma
1 222 TRP 10 68 101 42 41.6 -0.3 .
1 223 GLN 7 42 52 22 42.3 -0.3 .
1 224 LYS 7 25 33 18 54.5 0.4 .
1 225 ARG 7 31 31 25 80.6 1.9 >sigma
1 226 TYR 6 48 56 33 58.9 0.6 .
1 227 PRO 5 18 19 11 57.9 0.6 .
1 228 ASN 6 22 36 14 38.9 -0.5 .
1 229 ASN 6 30 60 21 35.0 -0.7 .
1 230 PRO 5 29 53 25 47.2 -0.0 .
1 231 GLY 3 22 44 18 40.9 -0.4 .
1 232 ALA 3 31 38 22 57.9 0.6 .
1 233 LYS 7 21 38 15 39.5 -0.5 .
1 234 MET 6 20 38 16 42.1 -0.3 .
1 235 LEU 7 33 65 22 33.8 -0.8 .
1 236 PRO 5 15 60 11 18.3 -1.7 >sigma
1 237 THR 4 27 25 17 68.0 1.2 >sigma
1 238 GLN 7 40 64 30 46.9 -0.0 .
1 239 LEU 7 73 96 44 45.8 -0.1 .
1 240 VAL 5 46 50 29 58.0 0.6 .
1 241 ASN 6 25 38 18 47.4 -0.0 .
1 242 VAL 5 46 69 34 49.3 0.1 .
1 243 LYS 7 27 52 19 36.5 -0.6 .
1 244 ALA 3 14 22 10 45.5 -0.1 .
1 245 PHE 7 41 49 30 61.2 0.8 .
1 246 LYS 7 13 22 11 50.0 0.1 .
1 247 PRO 5 8 13 6 46.2 -0.1 .
1 248 ALA 3 12 21 10 47.6 -0.0 .
1 249 SER 4 4 9 4 44.4 -0.2 .
1 250 THR 4 2 5 2 40.0 -0.4 .
stop_
save_
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