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 |
|
|
607140 |
5jtm   |
30081 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_5jtm
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 720
_NOE_completeness_stats.Total_atom_count 11104
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 3856
_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 8.3
_NOE_completeness_stats.Constraint_unexpanded_count 1587
_NOE_completeness_stats.Constraint_count 1587
_NOE_completeness_stats.Constraint_exp_unfiltered_count 9485
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 16
_NOE_completeness_stats.Constraint_intraresidue_count 0
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 1571
_NOE_completeness_stats.Constraint_expected_count 9485
_NOE_completeness_stats.Constraint_matched_count 787
_NOE_completeness_stats.Constraint_unmatched_count 784
_NOE_completeness_stats.Constraint_exp_nonobs_count 8698
_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 658 2701 337 12.5 1.0 >sigma
medium-range 348 1539 97 6.3 -0.2 .
long-range 465 3667 328 8.9 0.3 .
intermolecular 100 1578 25 1.6 -1.2 >sigma
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 2.00 113 17 1 7 4 1 3 1 0 0 . 0 15.0 15.0
shell 2.00 2.50 1125 94 22 17 11 17 16 8 3 0 . 0 8.4 9.0
shell 2.50 3.00 1607 268 7 102 48 32 36 34 9 0 . 0 16.7 13.3
shell 3.00 3.50 2483 209 2 5 32 44 51 52 23 0 . 0 8.4 11.0
shell 3.50 4.00 4157 199 0 0 10 35 60 55 39 0 . 0 4.8 8.3
shell 4.00 4.50 6338 460 0 0 1 24 147 238 50 0 . 0 7.3 7.9
shell 4.50 5.00 9159 213 0 1 0 1 23 98 90 0 . 0 2.3 5.8
shell 5.00 5.50 11044 49 0 0 0 0 4 15 30 0 . 0 0.4 4.2
shell 5.50 6.00 13044 12 0 0 0 0 4 4 4 0 . 0 0.1 3.1
shell 6.00 6.50 14700 9 0 0 0 0 6 0 3 0 . 0 0.1 2.4
shell 6.50 7.00 16788 11 0 0 0 0 9 1 1 0 . 0 0.1 1.9
shell 7.00 7.50 18073 13 0 0 0 0 7 0 6 0 . 0 0.1 1.6
shell 7.50 8.00 20646 10 0 0 0 0 6 0 4 0 . 0 0.0 1.3
shell 8.00 8.50 22312 4 0 0 0 0 1 0 3 0 . 0 0.0 1.1
shell 8.50 9.00 24077 0 0 0 0 0 0 0 0 0 . 0 0.0 0.9
sums . . 165666 1568 32 132 106 154 373 506 265 0 . 0 . .
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 -0.9 .
1 2 SER 4 0 7 0 0.0 -0.9 .
1 3 GLU 5 0 7 0 0.0 -0.9 .
1 4 GLN 7 0 9 0 0.0 -0.9 .
1 5 ASN 6 0 8 0 0.0 -0.9 .
1 6 ASN 6 0 7 0 0.0 -0.9 .
1 7 THR 4 0 8 0 0.0 -0.9 .
1 8 GLU 5 0 9 0 0.0 -0.9 .
1 9 MET 6 6 24 1 4.2 -0.4 .
1 10 THR 4 6 9 2 22.2 1.8 >sigma
1 11 PHE 7 13 35 5 14.3 0.8 .
1 12 GLN 7 5 14 3 21.4 1.7 >sigma
1 13 ILE 6 2 54 1 1.9 -0.7 .
1 14 GLN 7 5 22 2 9.1 0.2 .
1 15 ARG 7 3 47 2 4.3 -0.4 .
1 16 ILE 6 2 57 0 0.0 -0.9 .
1 17 TYR 6 7 52 5 9.6 0.3 .
1 18 THR 4 6 37 1 2.7 -0.6 .
1 19 LYS 7 5 58 2 3.4 -0.5 .
1 20 ASP 4 3 29 2 6.9 -0.1 .
1 21 ILE 6 4 59 1 1.7 -0.7 .
1 22 SER 4 5 17 3 17.6 1.2 >sigma
1 23 PHE 7 11 64 6 9.4 0.2 .
1 24 GLU 5 6 23 2 8.7 0.1 .
1 25 ALA 3 5 29 3 10.3 0.3 .
1 26 PRO 5 0 19 0 0.0 -0.9 .
1 27 ASN 6 1 34 1 2.9 -0.6 .
1 28 ALA 3 9 28 6 21.4 1.7 >sigma
1 29 PRO 5 0 38 0 0.0 -0.9 .
1 30 HIS 6 5 25 2 8.0 0.1 .
1 31 VAL 5 15 50 11 22.0 1.8 >sigma
1 32 PHE 7 12 43 10 23.3 1.9 >sigma
1 33 GLN 7 4 15 2 13.3 0.7 .
1 34 LYS 7 4 32 2 6.3 -0.2 .
1 35 ASP 4 2 7 0 0.0 -0.9 .
1 36 TRP 10 10 43 7 16.3 1.1 >sigma
1 37 GLN 7 4 10 3 30.0 2.8 >sigma
1 38 PRO 5 0 28 0 0.0 -0.9 .
1 39 GLU 5 5 14 1 7.1 -0.1 .
1 40 VAL 5 7 30 3 10.0 0.3 .
1 41 LYS 7 6 13 2 15.4 1.0 .
1 42 LEU 7 6 26 2 7.7 0.0 .
1 43 ASP 4 5 14 1 7.1 -0.1 .
1 44 LEU 7 6 28 1 3.6 -0.5 .
1 45 ASP 4 4 15 2 13.3 0.7 .
1 46 THR 4 2 18 0 0.0 -0.9 .
1 47 ALA 3 7 13 3 23.1 1.9 >sigma
1 48 SER 4 4 8 1 12.5 0.6 .
1 49 SER 4 4 13 1 7.7 0.0 .
1 50 GLN 7 3 16 0 0.0 -0.9 .
1 51 LEU 7 7 46 5 10.9 0.4 .
1 52 ALA 3 8 18 6 33.3 3.2 >sigma
1 53 ASP 4 4 7 1 14.3 0.8 .
1 54 ASP 4 3 10 1 10.0 0.3 .
1 55 VAL 5 14 32 8 25.0 2.1 >sigma
1 56 TYR 6 10 28 4 14.3 0.8 .
1 57 GLU 5 7 45 4 8.9 0.2 .
1 58 VAL 5 9 35 5 14.3 0.8 .
1 59 VAL 5 13 42 7 16.7 1.1 >sigma
1 60 LEU 7 9 52 5 9.6 0.3 .
1 61 ARG 7 5 35 2 5.7 -0.2 .
1 62 VAL 5 11 35 7 20.0 1.5 >sigma
1 63 THR 4 4 27 2 7.4 -0.0 .
1 64 VAL 5 14 50 8 16.0 1.0 >sigma
1 65 THR 4 5 26 2 7.7 0.0 .
1 66 ALA 3 13 32 8 25.0 2.1 >sigma
1 67 SER 4 6 20 2 10.0 0.3 .
1 68 LEU 7 19 54 15 27.8 2.5 >sigma
1 69 GLY 3 5 7 1 14.3 0.8 .
1 70 GLU 5 3 7 1 14.3 0.8 .
1 71 GLU 5 4 25 2 8.0 0.1 .
1 72 THR 4 3 24 0 0.0 -0.9 .
1 73 ALA 3 16 36 13 36.1 3.5 >sigma
1 74 PHE 7 16 69 15 21.7 1.7 >sigma
1 75 LEU 7 6 40 4 10.0 0.3 .
1 76 CYS 4 6 37 4 10.8 0.4 .
1 77 GLU 5 6 35 4 11.4 0.5 .
1 78 VAL 5 11 56 7 12.5 0.6 .
1 79 GLN 7 7 37 2 5.4 -0.3 .
1 80 GLN 7 8 52 5 9.6 0.3 .
1 81 GLY 3 6 25 3 12.0 0.5 .
1 82 GLY 3 6 24 2 8.3 0.1 .
1 83 ILE 6 4 60 1 1.7 -0.7 .
1 84 PHE 7 11 61 5 8.2 0.1 .
1 85 SER 4 5 15 2 13.3 0.7 .
1 86 ILE 6 4 30 1 3.3 -0.5 .
1 87 ALA 3 5 12 3 25.0 2.1 >sigma
1 88 GLY 3 4 11 3 27.3 2.4 >sigma
1 89 ILE 6 5 12 2 16.7 1.1 >sigma
1 90 GLU 5 3 15 1 6.7 -0.1 .
1 91 GLY 3 5 10 1 10.0 0.3 .
1 92 THR 4 4 13 1 7.7 0.0 .
1 93 GLN 7 4 16 3 18.8 1.4 >sigma
1 94 MET 6 10 29 4 13.8 0.8 .
1 95 ALA 3 9 22 4 18.2 1.3 >sigma
1 96 HIS 6 7 19 3 15.8 1.0 >sigma
1 97 CYS 4 7 19 3 15.8 1.0 >sigma
1 98 LEU 7 11 41 4 9.8 0.3 .
1 99 GLY 3 8 22 4 18.2 1.3 >sigma
1 100 ALA 3 10 30 6 20.0 1.5 >sigma
1 101 TYR 6 12 30 8 26.7 2.3 >sigma
1 102 CYS 4 6 27 3 11.1 0.4 .
1 103 PRO 5 0 36 0 0.0 -0.9 .
1 104 ASN 6 0 26 0 0.0 -0.9 .
1 105 ILE 6 0 53 0 0.0 -0.9 .
1 106 LEU 7 0 66 0 0.0 -0.9 .
1 107 PHE 7 0 50 0 0.0 -0.9 .
1 108 PRO 5 0 33 0 0.0 -0.9 .
1 109 TYR 6 3 46 1 2.2 -0.7 .
1 110 ALA 3 8 37 6 16.2 1.1 >sigma
1 111 ARG 7 6 63 3 4.8 -0.3 .
1 112 GLU 5 6 38 3 7.9 0.0 .
1 113 CYS 4 6 32 2 6.3 -0.2 .
1 114 ILE 6 6 60 3 5.0 -0.3 .
1 115 THR 4 5 31 2 6.5 -0.1 .
1 116 SER 4 6 21 2 9.5 0.2 .
1 117 MET 6 8 52 6 11.5 0.5 .
1 118 VAL 5 12 52 11 21.2 1.7 >sigma
1 119 SER 4 6 16 4 25.0 2.1 >sigma
1 120 ARG 7 0 46 0 0.0 -0.9 .
1 121 GLY 3 5 26 3 11.5 0.5 .
1 122 THR 4 3 30 2 6.7 -0.1 .
1 123 PHE 7 8 58 8 13.8 0.8 .
1 124 PRO 5 0 13 0 0.0 -0.9 .
1 125 GLN 7 1 29 0 0.0 -0.9 .
1 126 LEU 7 11 41 8 19.5 1.5 >sigma
1 127 ASN 6 3 33 1 3.0 -0.6 .
1 128 LEU 7 10 42 4 9.5 0.2 .
1 129 ALA 3 3 18 1 5.6 -0.2 .
1 130 PRO 5 0 40 0 0.0 -0.9 .
1 131 VAL 5 3 27 2 7.4 -0.0 .
1 132 ASN 6 0 13 0 0.0 -0.9 .
1 133 PHE 7 9 46 3 6.5 -0.1 .
1 134 ASP 4 6 19 3 15.8 1.0 >sigma
1 135 ALA 3 6 17 3 17.6 1.2 >sigma
1 136 LEU 7 8 26 3 11.5 0.5 .
1 137 PHE 7 11 32 3 9.4 0.2 .
1 138 MET 6 8 22 3 13.6 0.7 .
1 139 ASN 6 5 19 3 15.8 1.0 >sigma
1 140 TYR 6 5 12 2 16.7 1.1 >sigma
1 141 LEU 7 5 21 3 14.3 0.8 .
1 142 GLN 7 0 10 0 0.0 -0.9 .
1 143 GLN 7 0 12 0 0.0 -0.9 .
1 144 GLN 7 0 10 0 0.0 -0.9 .
1 145 ALA 3 0 8 0 0.0 -0.9 .
1 146 GLY 3 0 6 0 0.0 -0.9 .
1 147 GLU 5 0 8 0 0.0 -0.9 .
1 148 GLY 3 0 8 0 0.0 -0.9 .
1 149 THR 4 0 6 0 0.0 -0.9 .
1 150 GLU 5 0 7 0 0.0 -0.9 .
1 151 GLU 5 0 8 0 0.0 -0.9 .
1 152 HIS 6 0 7 0 0.0 -0.9 .
1 153 GLN 7 0 7 0 0.0 -0.9 .
1 154 ASP 4 0 7 0 0.0 -0.9 .
1 155 ALA 3 0 3 0 0.0 -0.9 .
2 1 MET 6 0 4 0 0.0 -0.9 .
2 2 SER 4 0 8 0 0.0 -0.9 .
2 3 GLU 5 0 6 0 0.0 -0.9 .
2 4 GLN 7 0 5 0 0.0 -0.9 .
2 5 ASN 6 0 6 0 0.0 -0.9 .
2 6 ASN 6 0 4 0 0.0 -0.9 .
2 7 THR 4 0 5 0 0.0 -0.9 .
2 8 GLU 5 0 9 0 0.0 -0.9 .
2 9 MET 6 5 41 1 2.4 -0.6 .
2 10 THR 4 5 15 2 13.3 0.7 .
2 11 PHE 7 8 41 5 12.2 0.6 .
2 12 GLN 7 5 20 2 10.0 0.3 .
2 13 ILE 6 3 64 1 1.6 -0.7 .
2 14 GLN 7 4 31 2 6.5 -0.1 .
2 15 ARG 7 3 53 2 3.8 -0.5 .
2 16 ILE 6 2 62 0 0.0 -0.9 .
2 17 TYR 6 9 57 7 12.3 0.6 .
2 18 THR 4 5 38 1 2.6 -0.6 .
2 19 LYS 7 4 59 2 3.4 -0.5 .
2 20 ASP 4 3 34 2 5.9 -0.2 .
2 21 ILE 6 5 60 2 3.3 -0.5 .
2 22 SER 4 5 15 2 13.3 0.7 .
2 23 PHE 7 6 66 4 6.1 -0.2 .
2 24 GLU 5 4 26 3 11.5 0.5 .
2 25 ALA 3 3 33 2 6.1 -0.2 .
2 26 PRO 5 0 24 0 0.0 -0.9 .
2 27 ASN 6 2 32 1 3.1 -0.5 .
2 28 ALA 3 7 32 5 15.6 1.0 .
2 29 PRO 5 0 34 0 0.0 -0.9 .
2 30 HIS 6 3 19 2 10.5 0.4 .
2 31 VAL 5 15 54 10 18.5 1.3 >sigma
2 32 PHE 7 11 42 8 19.0 1.4 >sigma
2 33 GLN 7 4 16 2 12.5 0.6 .
2 34 LYS 7 4 57 1 1.8 -0.7 .
2 35 ASP 4 4 5 3 60.0 6.4 >sigma
2 36 TRP 10 8 33 6 18.2 1.3 >sigma
2 37 GLN 7 1 10 0 0.0 -0.9 .
2 38 PRO 5 0 45 0 0.0 -0.9 .
2 39 GLU 5 3 10 1 10.0 0.3 .
2 40 VAL 5 6 30 3 10.0 0.3 .
2 41 LYS 7 5 18 3 16.7 1.1 >sigma
2 42 LEU 7 6 29 1 3.4 -0.5 .
2 43 ASP 4 6 14 2 14.3 0.8 .
2 44 LEU 7 11 34 2 5.9 -0.2 .
2 45 ASP 4 5 19 1 5.3 -0.3 .
2 46 THR 4 2 23 0 0.0 -0.9 .
2 47 ALA 3 5 12 2 16.7 1.1 >sigma
2 48 SER 4 4 12 1 8.3 0.1 .
2 49 SER 4 6 8 1 12.5 0.6 .
2 50 GLN 7 3 18 0 0.0 -0.9 .
2 51 LEU 7 9 43 4 9.3 0.2 .
2 52 ALA 3 7 18 5 27.8 2.5 >sigma
2 53 ASP 4 4 7 1 14.3 0.8 .
2 54 ASP 4 2 11 1 9.1 0.2 .
2 55 VAL 5 13 32 8 25.0 2.1 >sigma
2 56 TYR 6 16 30 5 16.7 1.1 >sigma
2 57 GLU 5 8 43 3 7.0 -0.1 .
2 58 VAL 5 12 44 5 11.4 0.5 .
2 59 VAL 5 10 46 6 13.0 0.7 .
2 60 LEU 7 8 52 5 9.6 0.3 .
2 61 ARG 7 5 37 2 5.4 -0.3 .
2 62 VAL 5 11 40 7 17.5 1.2 >sigma
2 63 THR 4 7 23 2 8.7 0.1 .
2 64 VAL 5 10 46 7 15.2 0.9 .
2 65 THR 4 5 26 2 7.7 0.0 .
2 66 ALA 3 13 29 9 31.0 2.9 >sigma
2 67 SER 4 6 19 3 15.8 1.0 >sigma
2 68 LEU 7 15 73 11 15.1 0.9 .
2 69 GLY 3 5 15 2 13.3 0.7 .
2 70 GLU 5 2 6 1 16.7 1.1 >sigma
2 71 GLU 5 4 23 1 4.3 -0.4 .
2 72 THR 4 3 28 0 0.0 -0.9 .
2 73 ALA 3 15 40 11 27.5 2.4 >sigma
2 74 PHE 7 17 73 15 20.5 1.6 >sigma
2 75 LEU 7 6 35 3 8.6 0.1 .
2 76 CYS 4 3 33 1 3.0 -0.6 .
2 77 GLU 5 6 29 2 6.9 -0.1 .
2 78 VAL 5 11 60 8 13.3 0.7 .
2 79 GLN 7 6 46 4 8.7 0.1 .
2 80 GLN 7 7 56 5 8.9 0.2 .
2 81 GLY 3 5 24 3 12.5 0.6 .
2 82 GLY 3 5 25 2 8.0 0.1 .
2 83 ILE 6 5 58 2 3.4 -0.5 .
2 84 PHE 7 15 64 7 10.9 0.4 .
2 85 SER 4 4 16 1 6.3 -0.2 .
2 86 ILE 6 5 32 1 3.1 -0.5 .
2 87 ALA 3 6 17 2 11.8 0.5 .
2 88 GLY 3 4 10 2 20.0 1.5 >sigma
2 89 ILE 6 6 46 1 2.2 -0.7 .
2 90 GLU 5 3 18 0 0.0 -0.9 .
2 91 GLY 3 4 13 0 0.0 -0.9 .
2 92 THR 4 4 13 1 7.7 0.0 .
2 93 GLN 7 3 27 2 7.4 -0.0 .
2 94 MET 6 12 40 2 5.0 -0.3 .
2 95 ALA 3 10 15 3 20.0 1.5 >sigma
2 96 HIS 6 6 17 3 17.6 1.2 >sigma
2 97 CYS 4 8 17 3 17.6 1.2 >sigma
2 98 LEU 7 12 35 2 5.7 -0.2 .
2 99 GLY 3 8 16 3 18.8 1.4 >sigma
2 100 ALA 3 8 31 5 16.1 1.1 >sigma
2 101 TYR 6 9 32 6 18.8 1.4 >sigma
2 102 CYS 4 5 32 3 9.4 0.2 .
2 103 PRO 5 0 41 0 0.0 -0.9 .
2 104 ASN 6 0 20 0 0.0 -0.9 .
2 105 ILE 6 0 63 0 0.0 -0.9 .
2 106 LEU 7 0 64 0 0.0 -0.9 .
2 107 PHE 7 0 38 0 0.0 -0.9 .
2 108 PRO 5 0 48 0 0.0 -0.9 .
2 109 TYR 6 3 51 3 5.9 -0.2 .
2 110 ALA 3 9 39 7 17.9 1.3 >sigma
2 111 ARG 7 6 42 5 11.9 0.5 .
2 112 GLU 5 4 24 2 8.3 0.1 .
2 113 CYS 4 6 31 3 9.7 0.3 .
2 114 ILE 6 6 56 4 7.1 -0.1 .
2 115 THR 4 4 33 2 6.1 -0.2 .
2 116 SER 4 5 24 3 12.5 0.6 .
2 117 MET 6 4 55 2 3.6 -0.5 .
2 118 VAL 5 10 53 9 17.0 1.2 >sigma
2 119 SER 4 6 24 3 12.5 0.6 .
2 120 ARG 7 0 62 0 0.0 -0.9 .
2 121 GLY 3 5 27 3 11.1 0.4 .
2 122 THR 4 3 31 2 6.5 -0.1 .
2 123 PHE 7 10 62 9 14.5 0.9 .
2 124 PRO 5 0 21 0 0.0 -0.9 .
2 125 GLN 7 2 44 1 2.3 -0.6 .
2 126 LEU 7 9 38 7 18.4 1.3 >sigma
2 127 ASN 6 3 21 1 4.8 -0.3 .
2 128 LEU 7 7 38 3 7.9 0.0 .
2 129 ALA 3 2 9 1 11.1 0.4 .
2 130 PRO 5 0 26 0 0.0 -0.9 .
2 131 VAL 5 2 21 1 4.8 -0.3 .
2 132 ASN 6 0 17 0 0.0 -0.9 .
2 133 PHE 7 7 39 2 5.1 -0.3 .
2 134 ASP 4 6 18 3 16.7 1.1 >sigma
2 135 ALA 3 6 19 3 15.8 1.0 >sigma
2 136 LEU 7 7 23 4 17.4 1.2 >sigma
2 137 PHE 7 10 30 2 6.7 -0.1 .
2 138 MET 6 6 18 4 22.2 1.8 >sigma
2 139 ASN 6 4 13 2 15.4 1.0 .
2 140 TYR 6 6 18 4 22.2 1.8 >sigma
2 141 LEU 7 4 20 2 10.0 0.3 .
2 142 GLN 7 0 10 0 0.0 -0.9 .
2 143 GLN 7 0 8 0 0.0 -0.9 .
2 144 GLN 7 0 8 0 0.0 -0.9 .
2 145 ALA 3 0 6 0 0.0 -0.9 .
2 146 GLY 3 0 4 0 0.0 -0.9 .
2 147 GLU 5 0 6 0 0.0 -0.9 .
2 148 GLY 3 0 6 0 0.0 -0.9 .
2 149 THR 4 0 5 0 0.0 -0.9 .
2 150 GLU 5 0 7 0 0.0 -0.9 .
2 151 GLU 5 0 8 0 0.0 -0.9 .
2 152 HIS 6 0 7 0 0.0 -0.9 .
2 153 GLN 7 0 6 0 0.0 -0.9 .
2 154 ASP 4 0 5 0 0.0 -0.9 .
2 155 ALA 3 0 2 0 0.0 -0.9 .
3 1 MET 6 0 4 0 0.0 -0.9 .
3 2 SER 4 0 8 0 0.0 -0.9 .
3 3 GLU 5 0 9 0 0.0 -0.9 .
3 4 GLN 7 0 10 0 0.0 -0.9 .
3 5 ASN 6 0 9 0 0.0 -0.9 .
3 6 ASN 6 0 6 0 0.0 -0.9 .
3 7 THR 4 0 6 0 0.0 -0.9 .
3 8 GLU 5 0 8 0 0.0 -0.9 .
3 9 MET 6 7 36 3 8.3 0.1 .
3 10 THR 4 5 12 3 25.0 2.1 >sigma
3 11 PHE 7 11 43 5 11.6 0.5 .
3 12 GLN 7 5 20 2 10.0 0.3 .
3 13 ILE 6 2 61 0 0.0 -0.9 .
3 14 GLN 7 4 34 1 2.9 -0.6 .
3 15 ARG 7 3 58 2 3.4 -0.5 .
3 16 ILE 6 2 64 0 0.0 -0.9 .
3 17 TYR 6 10 56 7 12.5 0.6 .
3 18 THR 4 5 38 1 2.6 -0.6 .
3 19 LYS 7 6 57 2 3.5 -0.5 .
3 20 ASP 4 4 33 2 6.1 -0.2 .
3 21 ILE 6 6 56 2 3.6 -0.5 .
3 22 SER 4 6 21 2 9.5 0.2 .
3 23 PHE 7 9 63 5 7.9 0.0 .
3 24 GLU 5 6 25 2 8.0 0.1 .
3 25 ALA 3 5 26 4 15.4 1.0 .
3 26 PRO 5 0 14 0 0.0 -0.9 .
3 27 ASN 6 1 21 1 4.8 -0.3 .
3 28 ALA 3 8 29 6 20.7 1.6 >sigma
3 29 PRO 5 0 34 0 0.0 -0.9 .
3 30 HIS 6 3 15 1 6.7 -0.1 .
3 31 VAL 5 14 48 10 20.8 1.6 >sigma
3 32 PHE 7 13 44 9 20.5 1.6 >sigma
3 33 GLN 7 4 11 2 18.2 1.3 >sigma
3 34 LYS 7 3 38 1 2.6 -0.6 .
3 35 ASP 4 2 6 0 0.0 -0.9 .
3 36 TRP 10 11 45 6 13.3 0.7 .
3 37 GLN 7 3 9 1 11.1 0.4 .
3 38 PRO 5 0 33 0 0.0 -0.9 .
3 39 GLU 5 5 8 2 25.0 2.1 >sigma
3 40 VAL 5 5 27 2 7.4 -0.0 .
3 41 LYS 7 6 11 2 18.2 1.3 >sigma
3 42 LEU 7 4 27 0 0.0 -0.9 .
3 43 ASP 4 5 12 1 8.3 0.1 .
3 44 LEU 7 10 32 2 6.3 -0.2 .
3 45 ASP 4 5 19 2 10.5 0.4 .
3 46 THR 4 2 19 0 0.0 -0.9 .
3 47 ALA 3 5 13 2 15.4 1.0 .
3 48 SER 4 3 15 1 6.7 -0.1 .
3 49 SER 4 5 9 1 11.1 0.4 .
3 50 GLN 7 2 19 0 0.0 -0.9 .
3 51 LEU 7 8 42 5 11.9 0.5 .
3 52 ALA 3 8 18 5 27.8 2.5 >sigma
3 53 ASP 4 5 6 1 16.7 1.1 >sigma
3 54 ASP 4 2 11 1 9.1 0.2 .
3 55 VAL 5 12 32 7 21.9 1.8 >sigma
3 56 TYR 6 11 33 5 15.2 0.9 .
3 57 GLU 5 7 42 4 9.5 0.2 .
3 58 VAL 5 9 45 4 8.9 0.2 .
3 59 VAL 5 11 45 6 13.3 0.7 .
3 60 LEU 7 10 53 6 11.3 0.5 .
3 61 ARG 7 5 37 2 5.4 -0.3 .
3 62 VAL 5 11 37 9 24.3 2.1 >sigma
3 63 THR 4 7 27 2 7.4 -0.0 .
3 64 VAL 5 9 41 5 12.2 0.6 .
3 65 THR 4 6 26 2 7.7 0.0 .
3 66 ALA 3 13 30 8 26.7 2.3 >sigma
3 67 SER 4 6 17 2 11.8 0.5 .
3 68 LEU 7 18 57 12 21.1 1.7 >sigma
3 69 GLY 3 5 8 2 25.0 2.1 >sigma
3 70 GLU 5 3 7 1 14.3 0.8 .
3 71 GLU 5 4 32 1 3.1 -0.5 .
3 72 THR 4 3 19 0 0.0 -0.9 .
3 73 ALA 3 17 35 12 34.3 3.3 >sigma
3 74 PHE 7 16 72 15 20.8 1.6 >sigma
3 75 LEU 7 7 35 5 14.3 0.8 .
3 76 CYS 4 6 33 3 9.1 0.2 .
3 77 GLU 5 4 31 2 6.5 -0.1 .
3 78 VAL 5 11 56 7 12.5 0.6 .
3 79 GLN 7 7 39 2 5.1 -0.3 .
3 80 GLN 7 8 53 5 9.4 0.2 .
3 81 GLY 3 6 23 3 13.0 0.7 .
3 82 GLY 3 5 26 2 7.7 0.0 .
3 83 ILE 6 5 59 2 3.4 -0.5 .
3 84 PHE 7 8 60 4 6.7 -0.1 .
3 85 SER 4 5 17 1 5.9 -0.2 .
3 86 ILE 6 4 33 1 3.0 -0.6 .
3 87 ALA 3 6 15 3 20.0 1.5 >sigma
3 88 GLY 3 4 11 2 18.2 1.3 >sigma
3 89 ILE 6 7 54 1 1.9 -0.7 .
3 90 GLU 5 3 21 1 4.8 -0.3 .
3 91 GLY 3 5 16 1 6.3 -0.2 .
3 92 THR 4 4 8 1 12.5 0.6 .
3 93 GLN 7 4 31 3 9.7 0.3 .
3 94 MET 6 11 50 4 8.0 0.1 .
3 95 ALA 3 10 22 5 22.7 1.9 >sigma
3 96 HIS 6 7 15 3 20.0 1.5 >sigma
3 97 CYS 4 6 23 3 13.0 0.7 .
3 98 LEU 7 11 45 4 8.9 0.2 .
3 99 GLY 3 8 20 4 20.0 1.5 >sigma
3 100 ALA 3 7 29 5 17.2 1.2 >sigma
3 101 TYR 6 10 27 6 22.2 1.8 >sigma
3 102 CYS 4 6 29 3 10.3 0.3 .
3 103 PRO 5 0 40 0 0.0 -0.9 .
3 104 ASN 6 0 21 0 0.0 -0.9 .
3 105 ILE 6 0 56 0 0.0 -0.9 .
3 106 LEU 7 0 64 0 0.0 -0.9 .
3 107 PHE 7 0 25 0 0.0 -0.9 .
3 108 PRO 5 0 43 0 0.0 -0.9 .
3 109 TYR 6 4 51 2 3.9 -0.4 .
3 110 ALA 3 10 39 7 17.9 1.3 >sigma
3 111 ARG 7 6 40 4 10.0 0.3 .
3 112 GLU 5 5 27 2 7.4 -0.0 .
3 113 CYS 4 6 29 2 6.9 -0.1 .
3 114 ILE 6 7 57 4 7.0 -0.1 .
3 115 THR 4 6 30 2 6.7 -0.1 .
3 116 SER 4 6 22 3 13.6 0.7 .
3 117 MET 6 5 53 2 3.8 -0.5 .
3 118 VAL 5 10 53 8 15.1 0.9 .
3 119 SER 4 6 25 3 12.0 0.5 .
3 120 ARG 7 0 60 0 0.0 -0.9 .
3 121 GLY 3 5 24 2 8.3 0.1 .
3 122 THR 4 3 27 2 7.4 -0.0 .
3 123 PHE 7 10 59 9 15.3 0.9 .
3 124 PRO 5 0 24 0 0.0 -0.9 .
3 125 GLN 7 2 35 1 2.9 -0.6 .
3 126 LEU 7 8 34 4 11.8 0.5 .
3 127 ASN 6 3 21 2 9.5 0.2 .
3 128 LEU 7 9 32 4 12.5 0.6 .
3 129 ALA 3 3 13 1 7.7 0.0 .
3 130 PRO 5 0 28 0 0.0 -0.9 .
3 131 VAL 5 3 24 3 12.5 0.6 .
3 132 ASN 6 0 16 0 0.0 -0.9 .
3 133 PHE 7 6 40 2 5.0 -0.3 .
3 134 ASP 4 5 16 3 18.8 1.4 >sigma
3 135 ALA 3 7 20 4 20.0 1.5 >sigma
3 136 LEU 7 9 25 4 16.0 1.0 >sigma
3 137 PHE 7 9 28 2 7.1 -0.1 .
3 138 MET 6 6 13 2 15.4 1.0 .
3 139 ASN 6 4 14 2 14.3 0.8 .
3 140 TYR 6 7 12 3 25.0 2.1 >sigma
3 141 LEU 7 2 12 2 16.7 1.1 >sigma
3 142 GLN 7 0 12 0 0.0 -0.9 .
3 143 GLN 7 0 10 0 0.0 -0.9 .
3 144 GLN 7 0 9 0 0.0 -0.9 .
3 145 ALA 3 0 6 0 0.0 -0.9 .
3 146 GLY 3 0 5 0 0.0 -0.9 .
3 147 GLU 5 0 7 0 0.0 -0.9 .
3 148 GLY 3 0 7 0 0.0 -0.9 .
3 149 THR 4 0 7 0 0.0 -0.9 .
3 150 GLU 5 0 9 0 0.0 -0.9 .
3 151 GLU 5 0 10 0 0.0 -0.9 .
3 152 HIS 6 0 9 0 0.0 -0.9 .
3 153 GLN 7 0 8 0 0.0 -0.9 .
3 154 ASP 4 0 8 0 0.0 -0.9 .
3 155 ALA 3 0 4 0 0.0 -0.9 .
4 1 MET 6 0 3 0 0.0 -0.9 .
4 2 SER 4 0 6 0 0.0 -0.9 .
4 3 GLU 5 0 8 0 0.0 -0.9 .
4 4 GLN 7 0 10 0 0.0 -0.9 .
4 5 ASN 6 0 9 0 0.0 -0.9 .
4 6 ASN 6 0 6 0 0.0 -0.9 .
4 7 THR 4 0 6 0 0.0 -0.9 .
4 8 GLU 5 0 9 0 0.0 -0.9 .
4 9 MET 6 2 24 0 0.0 -0.9 .
4 10 THR 4 3 21 1 4.8 -0.3 .
4 11 PHE 7 9 45 5 11.1 0.4 .
4 12 GLN 7 5 22 2 9.1 0.2 .
4 13 ILE 6 2 48 0 0.0 -0.9 .
4 14 GLN 7 6 36 3 8.3 0.1 .
4 15 ARG 7 3 53 2 3.8 -0.5 .
4 16 ILE 6 2 49 0 0.0 -0.9 .
4 17 TYR 6 8 55 6 10.9 0.4 .
4 18 THR 4 5 37 1 2.7 -0.6 .
4 19 LYS 7 4 52 2 3.8 -0.5 .
4 20 ASP 4 3 28 2 7.1 -0.1 .
4 21 ILE 6 5 64 1 1.6 -0.7 .
4 22 SER 4 5 16 2 12.5 0.6 .
4 23 PHE 7 9 65 4 6.2 -0.2 .
4 24 GLU 5 6 24 2 8.3 0.1 .
4 25 ALA 3 4 33 3 9.1 0.2 .
4 26 PRO 5 0 24 0 0.0 -0.9 .
4 27 ASN 6 1 34 1 2.9 -0.6 .
4 28 ALA 3 9 32 6 18.8 1.4 >sigma
4 29 PRO 5 0 39 0 0.0 -0.9 .
4 30 HIS 6 5 19 3 15.8 1.0 >sigma
4 31 VAL 5 15 56 11 19.6 1.5 >sigma
4 32 PHE 7 11 50 8 16.0 1.0 >sigma
4 33 GLN 7 4 17 2 11.8 0.5 .
4 34 LYS 7 4 56 2 3.6 -0.5 .
4 35 ASP 4 4 8 4 50.0 5.2 >sigma
4 36 TRP 10 7 36 6 16.7 1.1 >sigma
4 37 GLN 7 1 14 0 0.0 -0.9 .
4 38 PRO 5 0 47 0 0.0 -0.9 .
4 39 GLU 5 3 10 1 10.0 0.3 .
4 40 VAL 5 5 31 2 6.5 -0.1 .
4 41 LYS 7 6 18 3 16.7 1.1 >sigma
4 42 LEU 7 6 25 2 8.0 0.1 .
4 43 ASP 4 5 12 2 16.7 1.1 >sigma
4 44 LEU 7 10 29 2 6.9 -0.1 .
4 45 ASP 4 5 17 2 11.8 0.5 .
4 46 THR 4 3 15 0 0.0 -0.9 .
4 47 ALA 3 6 14 3 21.4 1.7 >sigma
4 48 SER 4 4 16 1 6.3 -0.2 .
4 49 SER 4 3 9 1 11.1 0.4 .
4 50 GLN 7 4 21 0 0.0 -0.9 .
4 51 LEU 7 7 44 5 11.4 0.5 .
4 52 ALA 3 7 17 5 29.4 2.7 >sigma
4 53 ASP 4 4 7 1 14.3 0.8 .
4 54 ASP 4 2 13 1 7.7 0.0 .
4 55 VAL 5 11 35 7 20.0 1.5 >sigma
4 56 TYR 6 9 31 5 16.1 1.1 >sigma
4 57 GLU 5 8 41 4 9.8 0.3 .
4 58 VAL 5 10 44 5 11.4 0.5 .
4 59 VAL 5 10 40 7 17.5 1.2 >sigma
4 60 LEU 7 13 39 6 15.4 1.0 .
4 61 ARG 7 5 40 2 5.0 -0.3 .
4 62 VAL 5 10 35 7 20.0 1.5 >sigma
4 63 THR 4 5 24 2 8.3 0.1 .
4 64 VAL 5 9 51 6 11.8 0.5 .
4 65 THR 4 5 23 3 13.0 0.7 .
4 66 ALA 3 16 28 8 28.6 2.6 >sigma
4 67 SER 4 7 21 3 14.3 0.8 .
4 68 LEU 7 12 71 9 12.7 0.6 .
4 69 GLY 3 5 15 2 13.3 0.7 .
4 70 GLU 5 2 9 1 11.1 0.4 .
4 71 GLU 5 4 25 1 4.0 -0.4 .
4 72 THR 4 2 29 0 0.0 -0.9 .
4 73 ALA 3 14 42 10 23.8 2.0 >sigma
4 74 PHE 7 18 72 13 18.1 1.3 >sigma
4 75 LEU 7 6 35 3 8.6 0.1 .
4 76 CYS 4 5 34 1 2.9 -0.6 .
4 77 GLU 5 6 28 3 10.7 0.4 .
4 78 VAL 5 13 59 7 11.9 0.5 .
4 79 GLN 7 7 44 3 6.8 -0.1 .
4 80 GLN 7 8 51 5 9.8 0.3 .
4 81 GLY 3 5 23 3 13.0 0.7 .
4 82 GLY 3 5 24 3 12.5 0.6 .
4 83 ILE 6 4 56 1 1.8 -0.7 .
4 84 PHE 7 12 61 6 9.8 0.3 .
4 85 SER 4 5 27 2 7.4 -0.0 .
4 86 ILE 6 4 38 1 2.6 -0.6 .
4 87 ALA 3 5 19 2 10.5 0.4 .
4 88 GLY 3 3 8 2 25.0 2.1 >sigma
4 89 ILE 6 3 51 1 2.0 -0.7 .
4 90 GLU 5 3 12 0 0.0 -0.9 .
4 91 GLY 3 4 9 1 11.1 0.4 .
4 92 THR 4 3 12 1 8.3 0.1 .
4 93 GLN 7 4 24 2 8.3 0.1 .
4 94 MET 6 9 38 3 7.9 0.0 .
4 95 ALA 3 7 17 3 17.6 1.2 >sigma
4 96 HIS 6 7 22 3 13.6 0.7 .
4 97 CYS 4 6 23 3 13.0 0.7 .
4 98 LEU 7 11 46 4 8.7 0.1 .
4 99 GLY 3 7 15 3 20.0 1.5 >sigma
4 100 ALA 3 8 27 5 18.5 1.3 >sigma
4 101 TYR 6 9 29 7 24.1 2.0 >sigma
4 102 CYS 4 6 30 3 10.0 0.3 .
4 103 PRO 5 0 39 0 0.0 -0.9 .
4 104 ASN 6 0 22 0 0.0 -0.9 .
4 105 ILE 6 0 50 0 0.0 -0.9 .
4 106 LEU 7 0 63 0 0.0 -0.9 .
4 107 PHE 7 0 24 0 0.0 -0.9 .
4 108 PRO 5 0 32 0 0.0 -0.9 .
4 109 TYR 6 3 48 1 2.1 -0.7 .
4 110 ALA 3 8 35 4 11.4 0.5 .
4 111 ARG 7 5 66 3 4.5 -0.4 .
4 112 GLU 5 5 34 2 5.9 -0.2 .
4 113 CYS 4 6 33 2 6.1 -0.2 .
4 114 ILE 6 7 54 4 7.4 -0.0 .
4 115 THR 4 6 32 2 6.3 -0.2 .
4 116 SER 4 6 20 3 15.0 0.9 .
4 117 MET 6 8 53 5 9.4 0.2 .
4 118 VAL 5 11 54 10 18.5 1.3 >sigma
4 119 SER 4 6 16 4 25.0 2.1 >sigma
4 120 ARG 7 0 49 0 0.0 -0.9 .
4 121 GLY 3 5 27 3 11.1 0.4 .
4 122 THR 4 2 30 2 6.7 -0.1 .
4 123 PHE 7 9 61 9 14.8 0.9 .
4 124 PRO 5 0 24 0 0.0 -0.9 .
4 125 GLN 7 1 25 0 0.0 -0.9 .
4 126 LEU 7 8 34 3 8.8 0.2 .
4 127 ASN 6 3 34 1 2.9 -0.6 .
4 128 LEU 7 7 37 2 5.4 -0.3 .
4 129 ALA 3 2 22 1 4.5 -0.4 .
4 130 PRO 5 0 33 0 0.0 -0.9 .
4 131 VAL 5 2 21 1 4.8 -0.3 .
4 132 ASN 6 0 16 0 0.0 -0.9 .
4 133 PHE 7 8 26 2 7.7 0.0 .
4 134 ASP 4 6 21 3 14.3 0.8 .
4 135 ALA 3 7 20 4 20.0 1.5 >sigma
4 136 LEU 7 9 16 3 18.8 1.4 >sigma
4 137 PHE 7 9 32 2 6.3 -0.2 .
4 138 MET 6 8 25 3 12.0 0.5 .
4 139 ASN 6 5 15 2 13.3 0.7 .
4 140 TYR 6 6 19 5 26.3 2.3 >sigma
4 141 LEU 7 6 28 4 14.3 0.8 .
4 142 GLN 7 0 14 0 0.0 -0.9 .
4 143 GLN 7 0 9 0 0.0 -0.9 .
4 144 GLN 7 0 7 0 0.0 -0.9 .
4 145 ALA 3 0 8 0 0.0 -0.9 .
4 146 GLY 3 0 6 0 0.0 -0.9 .
4 147 GLU 5 0 7 0 0.0 -0.9 .
4 148 GLY 3 0 7 0 0.0 -0.9 .
4 149 THR 4 0 6 0 0.0 -0.9 .
4 150 GLU 5 0 7 0 0.0 -0.9 .
4 151 GLU 5 0 9 0 0.0 -0.9 .
4 152 HIS 6 0 7 0 0.0 -0.9 .
4 153 GLN 7 0 6 0 0.0 -0.9 .
4 154 ASP 4 0 8 0 0.0 -0.9 .
4 155 ALA 3 0 4 0 0.0 -0.9 .
5 1 MET 6 0 3 0 0.0 -0.9 .
5 2 LYS 7 0 7 0 0.0 -0.9 .
5 3 GLN 7 0 8 0 0.0 -0.9 .
5 4 SER 4 0 7 0 0.0 -0.9 .
5 5 THR 4 0 9 0 0.0 -0.9 .
5 6 ILE 6 1 31 0 0.0 -0.9 .
5 7 ALA 3 0 12 0 0.0 -0.9 .
5 8 LEU 7 2 44 0 0.0 -0.9 .
5 9 ALA 3 0 7 0 0.0 -0.9 .
5 10 LEU 7 1 22 0 0.0 -0.9 .
5 11 LEU 7 2 34 0 0.0 -0.9 .
5 12 PRO 5 4 8 0 0.0 -0.9 .
5 13 LEU 7 0 9 0 0.0 -0.9 .
5 14 LEU 7 0 14 0 0.0 -0.9 .
5 15 PHE 7 1 34 0 0.0 -0.9 .
5 16 THR 4 0 9 0 0.0 -0.9 .
5 17 PRO 5 0 10 0 0.0 -0.9 .
5 18 VAL 5 0 31 0 0.0 -0.9 .
5 19 THR 4 3 10 0 0.0 -0.9 .
5 20 LYS 7 0 7 0 0.0 -0.9 .
5 21 ALA 3 0 12 0 0.0 -0.9 .
5 22 ARG 7 2 7 0 0.0 -0.9 .
5 23 THR 4 0 8 0 0.0 -0.9 .
5 24 PRO 5 0 7 0 0.0 -0.9 .
5 25 GLU 5 0 3 0 0.0 -0.9 .
6 1 MET 6 0 4 0 0.0 -0.9 .
6 2 LYS 7 0 9 0 0.0 -0.9 .
6 3 GLN 7 0 10 0 0.0 -0.9 .
6 4 SER 4 0 8 0 0.0 -0.9 .
6 5 THR 4 0 9 0 0.0 -0.9 .
6 6 ILE 6 1 32 1 3.1 -0.5 .
6 7 ALA 3 0 15 0 0.0 -0.9 .
6 8 LEU 7 2 49 0 0.0 -0.9 .
6 9 ALA 3 0 6 0 0.0 -0.9 .
6 10 LEU 7 1 21 0 0.0 -0.9 .
6 11 LEU 7 2 27 0 0.0 -0.9 .
6 12 PRO 5 4 9 0 0.0 -0.9 .
6 13 LEU 7 0 10 0 0.0 -0.9 .
6 14 LEU 7 0 13 0 0.0 -0.9 .
6 15 PHE 7 1 33 0 0.0 -0.9 .
6 16 THR 4 0 8 0 0.0 -0.9 .
6 17 PRO 5 0 12 0 0.0 -0.9 .
6 18 VAL 5 0 40 0 0.0 -0.9 .
6 19 THR 4 3 9 0 0.0 -0.9 .
6 20 LYS 7 0 8 0 0.0 -0.9 .
6 21 ALA 3 0 9 0 0.0 -0.9 .
6 22 ARG 7 2 8 0 0.0 -0.9 .
6 23 THR 4 0 9 0 0.0 -0.9 .
6 24 PRO 5 0 8 0 0.0 -0.9 .
6 25 GLU 5 0 4 0 0.0 -0.9 .
7 1 MET 6 0 3 0 0.0 -0.9 .
7 2 LYS 7 0 6 0 0.0 -0.9 .
7 3 GLN 7 0 6 0 0.0 -0.9 .
7 4 SER 4 0 7 0 0.0 -0.9 .
7 5 THR 4 0 12 0 0.0 -0.9 .
7 6 ILE 6 1 28 0 0.0 -0.9 .
7 7 ALA 3 0 14 0 0.0 -0.9 .
7 8 LEU 7 2 56 0 0.0 -0.9 .
7 9 ALA 3 0 6 0 0.0 -0.9 .
7 10 LEU 7 1 20 0 0.0 -0.9 .
7 11 LEU 7 2 39 0 0.0 -0.9 .
7 12 PRO 5 4 8 0 0.0 -0.9 .
7 13 LEU 7 0 10 0 0.0 -0.9 .
7 14 LEU 7 0 15 0 0.0 -0.9 .
7 15 PHE 7 1 34 0 0.0 -0.9 .
7 16 THR 4 0 8 0 0.0 -0.9 .
7 17 PRO 5 0 9 0 0.0 -0.9 .
7 18 VAL 5 0 41 0 0.0 -0.9 .
7 19 THR 4 3 12 0 0.0 -0.9 .
7 20 LYS 7 0 7 0 0.0 -0.9 .
7 21 ALA 3 0 18 0 0.0 -0.9 .
7 22 ARG 7 2 8 0 0.0 -0.9 .
7 23 THR 4 0 10 0 0.0 -0.9 .
7 24 PRO 5 0 9 0 0.0 -0.9 .
7 25 GLU 5 0 4 0 0.0 -0.9 .
8 1 MET 6 0 4 0 0.0 -0.9 .
8 2 LYS 7 0 8 0 0.0 -0.9 .
8 3 GLN 7 0 8 0 0.0 -0.9 .
8 4 SER 4 0 7 0 0.0 -0.9 .
8 5 THR 4 0 9 0 0.0 -0.9 .
8 6 ILE 6 1 29 0 0.0 -0.9 .
8 7 ALA 3 0 12 0 0.0 -0.9 .
8 8 LEU 7 2 37 0 0.0 -0.9 .
8 9 ALA 3 0 9 0 0.0 -0.9 .
8 10 LEU 7 1 12 0 0.0 -0.9 .
8 11 LEU 7 2 26 0 0.0 -0.9 .
8 12 PRO 5 4 10 0 0.0 -0.9 .
8 13 LEU 7 0 10 0 0.0 -0.9 .
8 14 LEU 7 0 13 0 0.0 -0.9 .
8 15 PHE 7 1 26 0 0.0 -0.9 .
8 16 THR 4 0 7 0 0.0 -0.9 .
8 17 PRO 5 0 9 0 0.0 -0.9 .
8 18 VAL 5 0 49 0 0.0 -0.9 .
8 19 THR 4 3 11 0 0.0 -0.9 .
8 20 LYS 7 0 10 0 0.0 -0.9 .
8 21 ALA 3 0 10 0 0.0 -0.9 .
8 22 ARG 7 2 8 0 0.0 -0.9 .
8 23 THR 4 0 10 0 0.0 -0.9 .
8 24 PRO 5 0 9 0 0.0 -0.9 .
8 25 GLU 5 0 4 0 0.0 -0.9 .
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