data_2ny8_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ny8 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.894 0.378 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.433 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -63.18 -47.92 80.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.38 93.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.55 -41.16 84.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.173 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 93.0 m -66.34 -41.4 89.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.498 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 73.9 mt -62.63 -45.32 99.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.967 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 45.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.269 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' ARG . . . . . 0.681 ' HG2' ' HG2' ' X' ' 24' ' ' ARG . 11.2 ttp180 -154.05 -55.05 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.995 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 24' ' ' ARG . . . . . 0.681 ' HG2' ' HG2' ' X' ' 23' ' ' ARG . 15.8 ptm180 178.91 -29.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.298 0.374 . . . . 0.0 111.044 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.693 ' HA ' ' HA ' ' X' ' 40' ' ' ASN . 8.8 m-85 -64.12 143.93 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.002 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.28 -39.89 94.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.85 -151.36 10.27 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.9 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . 0.484 ' CA ' ' HA ' ' X' ' 38' ' ' CYS . . . -177.01 125.48 1.03 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.299 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -85.12 137.72 32.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . 0.747 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 78.6 m -85.93 100.73 12.3 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.51 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 31' ' ' ASN . . . . . 0.467 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.6 p-10 -72.18 156.98 38.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 10.8 p -70.53 45.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -147.88 16.48 1.1 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 52.23 31.73 9.66 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.937 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 35' ' ' VAL . . . . . 0.467 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 57.9 t -89.74 -25.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.0 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 36' ' ' CYS . . . . . 0.747 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 2.3 p 45.5 58.71 4.03 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.885 0.74 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 6.3 t -56.54 101.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.458 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 38' ' ' CYS . . . . . 0.484 ' HA ' ' CA ' ' X' ' 28' ' ' GLY . 88.0 m -77.83 162.63 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.264 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -146.3 138.23 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 40' ' ' ASN . . . . . 0.693 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 7.1 m120 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.636 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.74 -62.98 1.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.52 -53.61 54.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -69.09 -42.6 75.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.473 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.88 -41.72 95.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' ILE . . . . . 0.473 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.9 mt -58.86 -41.51 83.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.081 0.467 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.039 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -81.37 32.13 0.34 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 60.73 47.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.562 ' HD1' ' HB2' ' X' ' 40' ' ' ASN . 67.2 m-85 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . 0.557 ' HD2' ' O ' ' X' ' 39' ' ' ARG . 0.0 OUTLIER -65.39 -30.53 71.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.06 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.27 -145.67 9.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.554 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.96 141.97 7.87 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.776 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -109.27 139.78 43.76 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . 0.608 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.3 p -69.19 127.27 32.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.212 0.529 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 31' ' ' ASN . . . . . 0.459 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 34.5 p-10 -89.29 35.33 0.81 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 32' ' ' SER . . . . . 0.487 ' C ' ' H ' ' X' ' 34' ' ' ALA . 23.7 t 69.27 -47.17 0.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.784 0.834 . . . . 0.0 113.167 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.51 23.65 0.09 Allowed 'General case' 0 N--CA 1.465 0.318 0 O-C-N 122.217 -0.302 . . . . 0.0 111.767 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 54.57 26.18 7.05 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.342 0.657 . . . . 0.0 112.126 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 55.7 t -93.43 -40.45 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.173 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 36' ' ' CYS . . . . . 0.608 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 43.9 t 70.93 124.46 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.741 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 40.5 t -113.56 120.11 62.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -92.17 143.03 26.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.448 0.642 . . . . 0.0 111.862 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 39' ' ' ARG . . . . . 0.557 ' O ' ' HD2' ' X' ' 26' ' ' ARG . 10.1 ptp180 -145.53 157.71 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.281 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 40' ' ' ASN . . . . . 0.562 ' HB2' ' HD1' ' X' ' 25' ' ' TYR . 39.2 t30 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.047 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.42 ' O ' HG12 ' X' ' 21' ' ' ILE . . . -126.19 -45.07 1.71 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.32 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -64.19 -37.37 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 51.8 m -65.16 -33.65 76.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.645 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' ILE . . . . . 0.42 HG12 ' O ' ' X' ' 17' ' ' ALA . 49.5 mm -54.5 -45.55 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.051 0.453 . . . . 0.0 110.337 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.85 70.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.405 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' X' ' 24' ' ' ARG . 22.8 tpt180 -82.95 4.76 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 24' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' X' ' 23' ' ' ARG . 39.7 mmt180 73.19 41.58 0.48 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.405 0.682 . . . . 0.0 112.005 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.617 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 54.9 m-85 -131.89 138.02 48.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -60.3 -26.85 66.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.111 0.481 . . . . 0.0 111.279 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.32 -141.01 6.18 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . 0.765 ' HA2' ' HG3' ' X' ' 39' ' ' ARG . . . -172.43 -147.98 6.03 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.198 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -158.93 144.96 16.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 24.5 p -67.05 121.64 16.03 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.12 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 31' ' ' ASN . . . . . 0.527 ' HB3' HG21 ' X' ' 37' ' ' VAL . 30.6 p-10 -81.85 35.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.153 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 32' ' ' SER . . . . . 0.414 ' C ' ' H ' ' X' ' 34' ' ' ALA . 5.5 m 70.08 -46.94 0.61 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.993 0.917 . . . . 0.0 112.851 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -76.89 22.7 0.18 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 56.59 24.48 8.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.056 0.542 . . . . 0.0 112.123 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 48.5 t -95.54 -39.94 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 36' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 47.6 t 70.04 129.45 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.719 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 37' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' X' ' 31' ' ' ASN . 21.1 t -114.15 129.67 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 76.4 m -71.97 152.09 42.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.195 0.521 . . . . 0.0 112.112 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 39' ' ' ARG . . . . . 0.765 ' HG3' ' HA2' ' X' ' 28' ' ' GLY . 0.0 OUTLIER -159.49 152.84 22.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.398 179.021 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 p30 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.924 179.641 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' X' ' 20' ' ' CYS . . . -85.12 -30.7 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.852 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.19 72.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.924 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . 0.434 ' O ' ' HG3' ' X' ' 23' ' ' ARG . 9.4 t-160 -62.25 -37.39 85.24 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' X' ' 17' ' ' ALA . 79.9 m -62.79 -41.46 99.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.266 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' ILE . . . . . 0.693 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 46.6 mt -65.58 -44.53 93.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.111 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.84 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.858 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' ARG . . . . . 0.747 ' O ' ' HG2' ' X' ' 24' ' ' ARG . 99.6 mtt180 -57.54 -66.34 0.48 Allowed 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 24' ' ' ARG . . . . . 0.747 ' HG2' ' O ' ' X' ' 23' ' ' ARG . 16.7 mmt180 -177.46 -31.58 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.278 0.986 . . . . 0.0 109.859 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.693 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 63.1 m-85 -58.64 149.74 25.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.701 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . 0.486 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 4.3 tpm_? -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.192 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . 0.605 ' HA2' HG12 ' X' ' 21' ' ' ILE . . . -179.61 -141.02 4.37 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.761 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.91 -164.11 29.67 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.902 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -166.07 143.31 5.34 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 46.6 t -76.69 129.2 36.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.019 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 31' ' ' ASN . . . . . 0.439 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 18.0 p-10 -91.52 36.13 0.95 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.465 0.65 . . . . 0.0 110.155 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 75.5 m 57.66 46.07 18.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.407 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' X' ' 33' ' ' LYS . 0.7 OUTLIER -156.48 20.19 0.34 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.867 0.842 . . . . 0.0 108.837 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.22 32.51 13.51 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.183 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 35' ' ' VAL . . . . . 0.439 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 97.1 t -101.89 -43.41 9.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.021 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 36' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 84.0 m 63.24 76.54 0.36 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.098 0.475 . . . . 0.0 110.011 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.72 127.3 16.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.002 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 70.5 m -80.64 137.66 36.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -162.09 145.54 11.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.966 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 40' ' ' ASN . . . . . 0.486 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 25.9 t-20 . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.639 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.69 38.11 0.82 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.236 0.541 . . . . 0.0 110.443 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.97 -49.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.391 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -59.31 -37.4 77.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.269 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 66.8 m -65.02 -46.93 79.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.136 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.32 -41.2 90.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.209 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.83 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.933 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -79.89 16.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.563 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -124.35 151.78 43.94 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -69.68 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.94 -154.72 7.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.168 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.06 143.34 8.09 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -116.67 141.38 48.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 111.265 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -76.41 105.91 7.74 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 31' ' ' ASN . . . . . 0.612 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 20.7 p-10 -84.98 39.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.253 0.549 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 32' ' ' SER . . . . . 0.463 ' C ' ' H ' ' X' ' 34' ' ' ALA . 49.1 m 65.49 -42.85 0.35 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -76.33 24.14 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.072 -0.392 . . . . 0.0 111.693 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 51.89 27.68 4.5 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.463 0.705 . . . . 0.0 111.991 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 35' ' ' VAL . . . . . 0.612 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 46.0 t -82.74 -32.73 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t 58.94 60.46 2.45 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -59.2 118.57 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.894 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -69.23 141.06 54.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.297 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -113.79 124.92 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.73 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.605 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.487 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -59.05 -42.63 90.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.6 97.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.704 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -65.35 -41.67 93.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.703 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 73.1 m -61.97 -34.37 76.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.888 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' ILE . . . . . 0.571 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 74.2 mt -57.34 -42.2 79.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' X' ' 24' ' ' ARG . . . -64.19 -34.63 78.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.338 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 23' ' ' ARG . . . . . 0.499 ' HE ' ' HA ' ' X' ' 23' ' ' ARG . 2.4 tpm_? -79.21 23.15 0.38 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.053 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 24' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' X' ' 22' ' ' ALA . 90.0 mtm180 68.72 34.07 3.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 3.5 m-85 -109.72 149.75 29.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.28 -37.94 89.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.363 0.601 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.11 -150.62 15.92 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.226 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' X' ' 38' ' ' CYS . . . -150.56 125.68 1.98 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . 0.505 ' HE1' ' OD1' ' X' ' 31' ' ' ASN . 17.6 p90 -97.01 141.93 29.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 0.0 110.053 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . 0.515 ' C ' ' H ' ' X' ' 32' ' ' SER . 88.6 m -96.3 120.98 37.58 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.04 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 31' ' ' ASN . . . . . 0.505 ' OD1' ' HE1' ' X' ' 29' ' ' TYR . 59.1 m-20 -77.35 30.87 0.15 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 32' ' ' SER . . . . . 0.515 ' H ' ' C ' ' X' ' 30' ' ' CYS . 17.5 t 71.07 -38.48 0.42 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.964 0.906 . . . . 0.0 111.45 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' X' ' 31' ' ' ASN . 0.9 OUTLIER -76.83 31.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.552 0.341 . . . . 0.0 111.679 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 51.02 30.26 5.23 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 111.737 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.96 -42.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t 55.79 65.03 1.56 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.187 0.518 . . . . 0.0 111.114 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.14 120.42 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.022 0.439 . . . . 0.0 110.691 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 38' ' ' CYS . . . . . 0.609 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 63.1 m -84.52 150.26 25.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.201 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 39' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' X' ' 39' ' ' ARG . 18.6 ptt-85 -142.08 128.48 20.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 40' ' ' ASN . . . . . 0.542 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 17.7 p30 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.038 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.93 82.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.065 0.46 . . . . 0.0 110.289 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' X' ' 22' ' ' ALA . . . -63.61 -38.96 93.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.875 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.81 -39.2 90.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.25 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 68.5 m -61.91 -57.44 11.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.93 -35.92 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' X' ' 18' ' ' ALA . . . -65.82 -40.97 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 23' ' ' ARG . . . . . 0.654 HH11 ' HE1' ' X' ' 25' ' ' TYR . 44.1 ttt-85 -86.09 22.31 1.77 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 64.48 51.69 1.95 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.654 ' HE1' HH11 ' X' ' 23' ' ' ARG . 16.1 m-85 -120.94 145.91 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -67.54 -37.67 83.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.08 -150.7 6.21 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.393 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.42 165.47 34.23 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -144.24 142.03 30.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.113 0.483 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 72.1 m -78.26 110.7 13.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.118 0.485 . . . . 0.0 109.928 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 31' ' ' ASN . . . . . 0.744 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.0 p-10 -84.09 44.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.407 0.622 . . . . 0.0 111.235 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 32' ' ' SER . . . . . 0.438 ' C ' ' H ' ' X' ' 34' ' ' ALA . 15.9 m 66.31 -46.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.67 27.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.416 0.553 . . . . 0.0 112.335 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 53.81 19.6 1.97 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.207 0.603 . . . . 0.0 111.959 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 35' ' ' VAL . . . . . 0.744 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 85.9 t -73.18 -36.16 49.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 36' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 37.2 t 60.29 61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 109.932 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.6 123.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 97.1 m -78.64 150.76 32.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.721 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -132.72 133.34 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.091 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.931 178.696 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.33 -37.34 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.119 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.49 95.78 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.723 0.296 . . . . 0.0 110.774 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' X' ' 23' ' ' ARG . 57.4 t-80 -61.44 -36.02 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.991 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 60.3 m -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' ILE . . . . . 0.648 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.7 mt -63.61 -44.71 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.393 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.77 87.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 23' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' X' ' 19' ' ' HIS . 0.3 OUTLIER -64.0 -59.3 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.444 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 174.78 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.546 0.529 . . . . 0.0 110.961 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.648 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 27.0 m-85 -61.84 150.75 36.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.066 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . 0.746 ' HE ' ' HA ' ' X' ' 26' ' ' ARG . 2.7 tpm_? -64.89 -40.9 95.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.537 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.9 -144.64 4.15 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.896 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . 0.441 ' HA2' ' HG2' ' X' ' 39' ' ' ARG . . . 176.2 137.59 2.64 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . 0.457 ' CE1' ' CG1' ' X' ' 37' ' ' VAL . 5.3 p90 -110.54 156.56 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.819 0.342 . . . . 0.0 110.248 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 0.6 OUTLIER -72.12 110.06 6.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -67.68 154.85 40.56 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -56.2 -29.04 60.38 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -6.03 11.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.426 0.155 . . . . 0.0 111.179 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 65.96 39.58 4.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.482 0.713 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 35' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' X' ' 36' ' ' CYS . 19.8 t -120.3 -17.36 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.306 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 36' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 65.6 m 77.1 143.71 0.08 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.631 0.582 . . . . 0.0 109.794 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 37' ' ' VAL . . . . . 0.471 ' O ' HG12 ' X' ' 37' ' ' VAL . 13.2 p -137.13 136.2 47.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.1 0.476 . . . . 0.0 110.575 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 61.1 m -79.98 144.96 32.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.778 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 39' ' ' ARG . . . . . 0.441 ' HG2' ' HA2' ' X' ' 28' ' ' GLY . 30.6 ptt180 -143.59 149.54 37.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.779 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 40' ' ' ASN . . . . . 0.559 ' HB3' ' HA ' ' X' ' 25' ' ' TYR . 9.1 p-10 . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.452 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.43 75.7 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.2 89.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.388 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.686 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 61.1 m -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.665 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 82.1 mt -61.02 -41.09 87.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.227 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.15 85.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.753 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 23' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' X' ' 24' ' ' ARG . 0.0 OUTLIER -72.34 -55.09 7.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.964 179.736 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 24' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' X' ' 23' ' ' ARG . 18.1 ptt-85 169.99 -29.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.616 0.573 . . . . 0.0 110.755 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.686 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 35.2 m-85 -57.24 154.41 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.398 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 56.4 ttm-85 -65.37 -41.88 93.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.586 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.58 -151.44 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.546 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.63 151.74 23.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.374 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -129.55 136.45 49.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . 0.684 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.7 p -72.92 122.69 22.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -87.16 34.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.617 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 32' ' ' SER . . . . . 0.401 ' C ' ' H ' ' X' ' 34' ' ' ALA . 46.1 m 65.61 -38.22 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.29 28.61 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 55.48 19.94 3.44 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.6 -46.35 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.663 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 36' ' ' CYS . . . . . 0.684 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 48.2 t 70.7 130.61 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.711 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.1 136.7 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.13 -0.356 . . . . 0.0 111.201 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.97 150.85 42.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.201 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -146.21 147.64 31.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.404 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 C--O 1.227 -0.125 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.515 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -62.25 -46.07 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.08 88.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.279 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -65.61 -39.15 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 92.5 m -62.31 -43.08 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.174 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' ILE . . . . . 0.681 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 89.1 mt -60.4 -43.05 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.59 71.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.17 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 23' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' X' ' 23' ' ' ARG . 1.5 tpm_? -85.78 22.92 1.53 Allowed 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.511 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 66.93 49.88 1.12 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.681 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 97.7 m-85 -134.34 153.05 52.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . 0.505 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 50.0 ttm-85 -68.61 -31.99 71.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.149 0.499 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.62 -147.97 7.06 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.2 131.71 2.91 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.954 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . 0.464 ' CZ ' ' HB ' ' X' ' 37' ' ' VAL . 52.8 p90 -92.91 135.58 34.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.96 0.409 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 57.9 m -84.6 106.51 16.22 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -71.28 162.32 29.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 18.8 t -66.48 -18.55 65.42 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.432 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.12 0.12 8.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.704 0.288 . . . . 0.0 110.266 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.04 36.61 24.35 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.702 0.763 . . . . 0.0 110.583 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 35' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' X' ' 36' ' ' CYS . 62.0 t -109.7 -35.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 36' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 53.5 t 70.0 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.754 0.659 . . . . 0.0 110.247 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 37' ' ' VAL . . . . . 0.464 ' HB ' ' CZ ' ' X' ' 29' ' ' TYR . 48.7 t -124.6 140.88 46.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 111.48 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 38' ' ' CYS . . . . . 0.403 ' N ' HG12 ' X' ' 37' ' ' VAL . 74.0 m -66.1 146.56 54.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.851 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -159.48 151.99 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 40' ' ' ASN . . . . . 0.51 ' OD1' ' HA ' ' X' ' 25' ' ' TYR . 73.4 m-20 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.954 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.425 0.155 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m 62.43 -127.93 0.65 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.323 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' X' ' 36' ' ' CYS . 93.1 m -111.87 26.29 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.085 -0.384 . . . . 0.0 110.712 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -77.92 130.6 36.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.68 -36.29 2.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.021 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.07 -120.02 0.4 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.462 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -69.92 -49.01 56.25 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.924 0.393 . . . . 0.0 110.166 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.97 146.53 4.43 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.199 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -167.79 -28.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.472 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.22 -130.22 2.29 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -114.84 147.36 18.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.41 -147.01 0.92 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.243 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 7.7 m -75.02 -38.31 61.53 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.698 -0.295 . . . . 0.0 111.215 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 21.1 m 66.14 8.7 5.71 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.861 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' X' ' 19' ' ' HIS . 95.6 mt -64.56 -38.24 90.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.963 0.411 . . . . 0.0 110.299 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.18 -49.25 78.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.267 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.433 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -63.18 -47.92 80.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.38 93.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' X' ' 15' ' ' LEU . 1.9 t-80 -58.55 -41.16 84.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.173 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 93.0 m -66.34 -41.4 89.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.498 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 73.9 mt -62.63 -45.32 99.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.967 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 45.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.269 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . 0.681 ' HG2' ' HG2' ' X' ' 24' ' ' ARG . 11.2 ttp180 -154.05 -55.05 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.995 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' ARG . . . . . 0.681 ' HG2' ' HG2' ' X' ' 23' ' ' ARG . 15.8 ptm180 178.91 -29.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.298 0.374 . . . . 0.0 111.044 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.693 ' HA ' ' HA ' ' X' ' 40' ' ' ASN . 8.8 m-85 -64.12 143.93 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.002 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.28 -39.89 94.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.85 -151.36 10.27 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.9 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . 0.484 ' CA ' ' HA ' ' X' ' 38' ' ' CYS . . . -177.01 125.48 1.03 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.299 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -85.12 137.72 32.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.747 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 78.6 m -85.93 100.73 12.3 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.51 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 31' ' ' ASN . . . . . 0.467 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.6 p-10 -72.18 156.98 38.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 10.8 p -70.53 45.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -147.88 16.48 1.1 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 52.23 31.73 9.66 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.937 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 35' ' ' VAL . . . . . 0.467 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 57.9 t -89.74 -25.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.0 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 36' ' ' CYS . . . . . 0.747 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 2.3 p 45.5 58.71 4.03 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.885 0.74 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 6.3 t -56.54 101.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.458 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 38' ' ' CYS . . . . . 0.484 ' HA ' ' CA ' ' X' ' 28' ' ' GLY . 88.0 m -77.83 162.63 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.264 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -146.3 138.23 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 40' ' ' ASN . . . . . 0.693 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 7.1 m120 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.636 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . 0.587 ' O ' ' HA ' ' X' ' 7' ' ' SER . . . . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.91 0.386 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 2.8 m -56.96 113.93 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.52 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 93.6 m 60.58 42.11 14.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . 0.731 ' HB2' ' HB3' ' X' ' 34' ' ' ALA . 34.1 t0 -144.22 130.34 19.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 44.8 46.49 8.77 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.37 0.668 . . . . 0.0 111.129 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.81 35.79 24.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.544 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' X' ' 1' ' ' ALA . 46.3 m 56.87 45.58 21.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.886 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.88 -145.14 3.55 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.958 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -91.77 -162.52 0.93 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.577 0.227 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.2 -53.58 0.58 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.235 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.424 HG12 ' O ' ' X' ' 11' ' ' VAL . 7.7 p -173.68 123.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.116 0.484 . . . . 0.0 110.539 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.81 138.67 18.46 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 11.9 t -69.8 -60.41 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.897 0.349 . . . . 0.0 110.207 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 19.0 m 69.18 -47.81 0.58 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.625 0.77 . . . . 0.0 112.253 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.435 ' HA ' ' CB ' ' X' ' 19' ' ' HIS . 3.8 pp -72.22 -32.79 67.06 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 43.2 t -47.08 -34.31 5.78 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.885 0.741 . . . . 0.0 112.152 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.74 -62.98 1.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.52 -53.61 54.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . 0.435 ' CB ' ' HA ' ' X' ' 15' ' ' LEU . 8.2 t-160 -69.09 -42.6 75.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.473 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.88 -41.72 95.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' ILE . . . . . 0.473 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.9 mt -58.86 -41.51 83.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.081 0.467 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.039 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -81.37 32.13 0.34 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 60.73 47.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.562 ' HD1' ' HB2' ' X' ' 40' ' ' ASN . 67.2 m-85 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . 0.557 ' HD2' ' O ' ' X' ' 39' ' ' ARG . 0.0 OUTLIER -65.39 -30.53 71.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.06 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.27 -145.67 9.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.554 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.96 141.97 7.87 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.776 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -109.27 139.78 43.76 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.608 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.3 p -69.19 127.27 32.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.212 0.529 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 31' ' ' ASN . . . . . 0.459 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 34.5 p-10 -89.29 35.33 0.81 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 32' ' ' SER . . . . . 0.487 ' C ' ' H ' ' X' ' 34' ' ' ALA . 23.7 t 69.27 -47.17 0.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.784 0.834 . . . . 0.0 113.167 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.51 23.65 0.09 Allowed 'General case' 0 N--CA 1.465 0.318 0 O-C-N 122.217 -0.302 . . . . 0.0 111.767 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . 0.731 ' HB3' ' HB2' ' X' ' 4' ' ' ASP . . . 54.57 26.18 7.05 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.342 0.657 . . . . 0.0 112.126 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 55.7 t -93.43 -40.45 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.173 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 36' ' ' CYS . . . . . 0.608 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 43.9 t 70.93 124.46 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.741 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 40.5 t -113.56 120.11 62.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -92.17 143.03 26.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.448 0.642 . . . . 0.0 111.862 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 39' ' ' ARG . . . . . 0.557 ' O ' ' HD2' ' X' ' 26' ' ' ARG . 10.1 ptp180 -145.53 157.71 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.281 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 40' ' ' ASN . . . . . 0.562 ' HB2' ' HD1' ' X' ' 25' ' ' TYR . 39.2 t30 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.047 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 121.079 0.466 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.665 ' OG1' ' HA ' ' X' ' 13' ' ' SER . 2.0 m -76.46 142.0 41.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.369 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 64.1 m -62.82 115.83 4.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -66.78 130.85 44.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.072 0.463 . . . . 0.0 111.238 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.48 -33.45 13.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.679 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.78 -50.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.047 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -157.19 -44.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.653 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.13 149.81 8.54 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.238 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -162.39 47.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.685 0.755 . . . . 0.0 109.018 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.31 159.71 14.53 Favored Glycine 0 N--CA 1.435 -1.4 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.87 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.11 -34.94 71.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 114.973 -0.614 . . . . 0.0 110.571 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.62 -121.22 0.77 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.104 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' SER . . . . . 0.665 ' HA ' ' OG1' ' X' ' 2' ' ' THR . 28.4 p -84.23 -0.76 53.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.805 0.336 . . . . 0.0 111.283 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m 63.01 43.64 6.46 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.938 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.97 ' HB3' ' HB2' ' X' ' 19' ' ' HIS . 95.5 mt 60.8 46.17 9.16 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.21 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.31 -24.28 60.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.98 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.42 ' O ' HG12 ' X' ' 21' ' ' ILE . . . -126.19 -45.07 1.71 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.32 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . 0.97 ' HB2' ' HB3' ' X' ' 15' ' ' LEU . 61.2 t-80 -64.19 -37.37 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 51.8 m -65.16 -33.65 76.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.645 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' ILE . . . . . 0.42 HG12 ' O ' ' X' ' 17' ' ' ALA . 49.5 mm -54.5 -45.55 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.051 0.453 . . . . 0.0 110.337 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.85 70.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.405 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' X' ' 24' ' ' ARG . 22.8 tpt180 -82.95 4.76 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' X' ' 23' ' ' ARG . 39.7 mmt180 73.19 41.58 0.48 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.405 0.682 . . . . 0.0 112.005 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.617 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 54.9 m-85 -131.89 138.02 48.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -60.3 -26.85 66.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.111 0.481 . . . . 0.0 111.279 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.32 -141.01 6.18 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . 0.765 ' HA2' ' HG3' ' X' ' 39' ' ' ARG . . . -172.43 -147.98 6.03 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.198 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -158.93 144.96 16.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 24.5 p -67.05 121.64 16.03 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.12 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 31' ' ' ASN . . . . . 0.527 ' HB3' HG21 ' X' ' 37' ' ' VAL . 30.6 p-10 -81.85 35.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.153 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 32' ' ' SER . . . . . 0.414 ' C ' ' H ' ' X' ' 34' ' ' ALA . 5.5 m 70.08 -46.94 0.61 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.993 0.917 . . . . 0.0 112.851 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -76.89 22.7 0.18 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 56.59 24.48 8.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.056 0.542 . . . . 0.0 112.123 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 48.5 t -95.54 -39.94 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 36' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 47.6 t 70.04 129.45 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.719 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 37' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' X' ' 31' ' ' ASN . 21.1 t -114.15 129.67 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 76.4 m -71.97 152.09 42.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.195 0.521 . . . . 0.0 112.112 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 39' ' ' ARG . . . . . 0.765 ' HG3' ' HA2' ' X' ' 28' ' ' GLY . 0.0 OUTLIER -159.49 152.84 22.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.398 179.021 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 p30 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.924 179.641 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.566 ' OG1' ' HB2' ' X' ' 13' ' ' SER . 7.5 m -59.35 -55.8 30.15 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.528 0.68 . . . . 0.0 110.636 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' X' ' 2' ' ' THR . 7.6 t 176.83 -142.04 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.659 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -71.36 126.75 30.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' X' ' 11' ' ' VAL . 92.8 mt -116.03 45.13 1.8 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.571 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.44 90.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.125 0.488 . . . . 0.0 110.381 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 28.4 p -82.22 -41.91 19.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.9 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.99 129.23 1.37 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.989 -0.625 . . . . 0.0 111.732 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.61 44.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.025 0.441 . . . . 0.0 111.639 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.56 -44.28 1.21 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.645 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.682 ' HA ' HD13 ' X' ' 5' ' ' LEU . 21.3 t 63.92 49.6 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.936 0.874 . . . . 0.0 109.803 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.92 122.76 0.8 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.888 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' SER . . . . . 0.566 ' HB2' ' OG1' ' X' ' 2' ' ' THR . 20.6 t -105.81 -29.82 9.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.673 0.273 . . . . 0.0 110.439 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 12.8 t 75.56 -42.94 0.48 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.051 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.782 ' HB2' ' HB2' ' X' ' 18' ' ' ALA . 1.4 pt? -164.19 60.02 0.15 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . 0.413 ' HB2' ' OG ' ' X' ' 13' ' ' SER . 5.4 t -61.91 -59.64 4.82 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 110.092 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' X' ' 20' ' ' CYS . . . -85.12 -30.7 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.852 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.782 ' HB2' ' HB2' ' X' ' 15' ' ' LEU . . . -60.46 -33.19 72.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.924 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' X' ' 15' ' ' LEU . 9.4 t-160 -62.25 -37.39 85.24 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' X' ' 17' ' ' ALA . 79.9 m -62.79 -41.46 99.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.266 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' ILE . . . . . 0.693 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 46.6 mt -65.58 -44.53 93.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.111 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.84 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.858 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . 0.747 ' O ' ' HG2' ' X' ' 24' ' ' ARG . 99.6 mtt180 -57.54 -66.34 0.48 Allowed 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' ARG . . . . . 0.747 ' HG2' ' O ' ' X' ' 23' ' ' ARG . 16.7 mmt180 -177.46 -31.58 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.278 0.986 . . . . 0.0 109.859 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.693 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 63.1 m-85 -58.64 149.74 25.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.701 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . 0.486 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 4.3 tpm_? -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.192 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . 0.605 ' HA2' HG12 ' X' ' 21' ' ' ILE . . . -179.61 -141.02 4.37 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.761 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.91 -164.11 29.67 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.902 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -166.07 143.31 5.34 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 46.6 t -76.69 129.2 36.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.019 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 31' ' ' ASN . . . . . 0.439 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 18.0 p-10 -91.52 36.13 0.95 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.465 0.65 . . . . 0.0 110.155 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 75.5 m 57.66 46.07 18.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.407 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' X' ' 33' ' ' LYS . 0.7 OUTLIER -156.48 20.19 0.34 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.867 0.842 . . . . 0.0 108.837 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.22 32.51 13.51 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.183 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 35' ' ' VAL . . . . . 0.439 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 97.1 t -101.89 -43.41 9.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.021 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 36' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 84.0 m 63.24 76.54 0.36 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.098 0.475 . . . . 0.0 110.011 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.72 127.3 16.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.002 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 70.5 m -80.64 137.66 36.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -162.09 145.54 11.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.966 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 40' ' ' ASN . . . . . 0.486 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 25.9 t-20 . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.639 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . 0.488 ' HB3' ' HG ' ' X' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.485 0.183 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -57.24 10.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.159 0.504 . . . . 0.0 111.578 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 63.4 m -150.46 54.15 0.9 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.359 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' X' ' 34' ' ' ALA . 60.8 m-20 68.7 119.88 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.877 0.736 . . . . 0.0 111.299 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' X' ' 1' ' ' ALA . 81.8 mt -76.98 -43.39 35.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.788 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.5 33.47 23.14 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.834 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t 179.49 -55.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.264 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.77 -160.43 32.37 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.745 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -82.07 42.91 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.364 0.602 . . . . 0.0 111.306 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.04 33.28 4.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.723 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -177.01 146.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.92 101.53 0.49 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.266 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' SER . . . . . 0.487 ' OG ' ' HA ' ' X' ' 1' ' ' ALA . 14.3 t -80.4 53.77 1.88 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.929 0.395 . . . . 0.0 111.195 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -176.07 -35.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.162 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.425 ' O ' HD12 ' X' ' 15' ' ' LEU . 2.4 pp -83.3 24.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 38.4 t -63.87 -57.42 9.88 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.69 38.11 0.82 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.236 0.541 . . . . 0.0 110.443 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.97 -49.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.391 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -59.31 -37.4 77.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.269 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 66.8 m -65.02 -46.93 79.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.136 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.32 -41.2 90.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.209 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.83 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.933 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -79.89 16.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.563 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -124.35 151.78 43.94 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -69.68 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.94 -154.72 7.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.168 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.06 143.34 8.09 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -116.67 141.38 48.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 111.265 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -76.41 105.91 7.74 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 31' ' ' ASN . . . . . 0.612 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 20.7 p-10 -84.98 39.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.253 0.549 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 32' ' ' SER . . . . . 0.463 ' C ' ' H ' ' X' ' 34' ' ' ALA . 49.1 m 65.49 -42.85 0.35 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -76.33 24.14 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.072 -0.392 . . . . 0.0 111.693 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' X' ' 4' ' ' ASP . . . 51.89 27.68 4.5 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.463 0.705 . . . . 0.0 111.991 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 35' ' ' VAL . . . . . 0.612 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 46.0 t -82.74 -32.73 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t 58.94 60.46 2.45 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -59.2 118.57 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.894 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -69.23 141.06 54.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.297 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -113.79 124.92 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.73 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.605 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.498 ' HA ' ' HB2' ' X' ' 13' ' ' SER . 89.7 m 72.22 141.33 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 122.704 0.402 . . . . 0.0 111.353 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' X' ' 34' ' ' ALA . 68.1 m 73.72 144.17 0.07 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.083 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.29 144.37 46.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.563 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.682 HD11 ' HA3' ' X' ' 8' ' ' GLY . 1.8 pt? -137.42 -31.28 0.81 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.422 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 71.17 128.7 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.019 0.824 . . . . 0.0 110.822 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t 64.34 49.96 2.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.762 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . 0.682 ' HA3' HD11 ' X' ' 5' ' ' LEU . . . -161.72 -119.2 0.5 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.489 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . 0.529 ' HB3' ' HA3' ' X' ' 12' ' ' GLY . 57.0 m-85 -75.1 -26.82 59.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.931 0.396 . . . . 0.0 111.126 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . 0.44 ' H ' HD22 ' X' ' 5' ' ' LEU . . . 77.2 -96.42 1.22 Allowed Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -105.86 30.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 122.353 1.073 . . . . 0.0 109.203 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . 0.529 ' HA3' ' HB3' ' X' ' 9' ' ' PHE . . . -72.73 114.47 4.86 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.504 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' X' ' 2' ' ' THR . 25.4 t -173.93 110.53 0.16 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 4.8 p -61.29 -54.35 45.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' X' ' 19' ' ' HIS . 0.8 OUTLIER -173.62 128.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.116 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.13 -89.44 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.243 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.487 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -59.05 -42.63 90.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.6 97.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.704 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . 0.425 ' HB2' ' HB2' ' X' ' 15' ' ' LEU . 18.7 t-160 -65.35 -41.67 93.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.703 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 73.1 m -61.97 -34.37 76.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.888 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' ILE . . . . . 0.571 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 74.2 mt -57.34 -42.2 79.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' X' ' 24' ' ' ARG . . . -64.19 -34.63 78.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.338 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . 0.499 ' HA ' ' HE ' ' X' ' 23' ' ' ARG . 2.4 tpm_? -79.21 23.15 0.38 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.053 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' X' ' 22' ' ' ALA . 90.0 mtm180 68.72 34.07 3.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 3.5 m-85 -109.72 149.75 29.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.28 -37.94 89.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.363 0.601 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.11 -150.62 15.92 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.226 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' X' ' 38' ' ' CYS . . . -150.56 125.68 1.98 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . 0.505 ' HE1' ' OD1' ' X' ' 31' ' ' ASN . 17.6 p90 -97.01 141.93 29.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 0.0 110.053 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.515 ' C ' ' H ' ' X' ' 32' ' ' SER . 88.6 m -96.3 120.98 37.58 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.04 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 31' ' ' ASN . . . . . 0.505 ' OD1' ' HE1' ' X' ' 29' ' ' TYR . 59.1 m-20 -77.35 30.87 0.15 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 32' ' ' SER . . . . . 0.515 ' H ' ' C ' ' X' ' 30' ' ' CYS . 17.5 t 71.07 -38.48 0.42 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.964 0.906 . . . . 0.0 111.45 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' X' ' 31' ' ' ASN . 0.9 OUTLIER -76.83 31.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.552 0.341 . . . . 0.0 111.679 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . 0.475 ' HA ' ' SG ' ' X' ' 3' ' ' CYS . . . 51.02 30.26 5.23 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 111.737 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.96 -42.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t 55.79 65.03 1.56 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.187 0.518 . . . . 0.0 111.114 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.14 120.42 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.022 0.439 . . . . 0.0 110.691 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 38' ' ' CYS . . . . . 0.609 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 63.1 m -84.52 150.26 25.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.201 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 39' ' ' ARG . . . . . 0.42 ' HG2' HH11 ' X' ' 39' ' ' ARG . 18.6 ptt-85 -142.08 128.48 20.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 40' ' ' ASN . . . . . 0.542 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 17.7 p30 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.038 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' X' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' X' ' 13' ' ' SER . 12.5 p -66.3 126.18 27.93 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 38.7 m -61.58 123.36 17.67 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 44.9 p-10 -63.04 144.45 56.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.674 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -112.43 18.51 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.618 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.75 39.39 29.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.005 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 42.5 m -159.21 -35.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.2 -164.31 50.36 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.31 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -170.93 -36.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.007 0.432 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 -135.09 4.36 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.439 ' O ' HG12 ' X' ' 11' ' ' VAL . 11.1 p -84.28 127.03 40.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.159 0.504 . . . . 0.0 110.288 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.1 40.48 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.931 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' X' ' 1' ' ' ALA . 50.0 m -81.69 -38.55 25.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.828 0.346 . . . . 0.0 110.468 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -85.66 -178.75 6.73 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.806 0.336 . . . . 0.0 110.576 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mp 64.58 49.42 2.37 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.586 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 t -106.48 -94.34 0.37 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.93 82.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.065 0.46 . . . . 0.0 110.289 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' X' ' 22' ' ' ALA . . . -63.61 -38.96 93.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.875 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.81 -39.2 90.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.25 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 68.5 m -61.91 -57.44 11.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.93 -35.92 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' X' ' 18' ' ' ALA . . . -65.82 -40.97 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . 0.654 HH11 ' HE1' ' X' ' 25' ' ' TYR . 44.1 ttt-85 -86.09 22.31 1.77 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 64.48 51.69 1.95 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.654 ' HE1' HH11 ' X' ' 23' ' ' ARG . 16.1 m-85 -120.94 145.91 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -67.54 -37.67 83.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.08 -150.7 6.21 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.393 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.42 165.47 34.23 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -144.24 142.03 30.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.113 0.483 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 72.1 m -78.26 110.7 13.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.118 0.485 . . . . 0.0 109.928 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 31' ' ' ASN . . . . . 0.744 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.0 p-10 -84.09 44.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.407 0.622 . . . . 0.0 111.235 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 32' ' ' SER . . . . . 0.438 ' C ' ' H ' ' X' ' 34' ' ' ALA . 15.9 m 66.31 -46.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.67 27.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.416 0.553 . . . . 0.0 112.335 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 53.81 19.6 1.97 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.207 0.603 . . . . 0.0 111.959 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 35' ' ' VAL . . . . . 0.744 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 85.9 t -73.18 -36.16 49.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 36' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 37.2 t 60.29 61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 109.932 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.6 123.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 97.1 m -78.64 150.76 32.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.721 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -132.72 133.34 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.091 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.931 178.696 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.531 ' HB ' ' SG ' ' X' ' 36' ' ' CYS . 15.4 p -76.91 -108.02 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 111.41 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 55.6 m -75.52 75.7 2.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.578 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . 0.672 ' HA ' ' O ' ' X' ' 8' ' ' GLY . 12.6 p-10 -60.96 121.36 12.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.548 0.69 . . . . 0.0 111.297 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.68 -37.69 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.137 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -143.22 -47.16 0.3 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.718 0.294 . . . . 0.0 111.314 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 11.9 p -158.12 33.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.248 0.547 . . . . 0.0 110.547 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . 0.672 ' O ' ' HA ' ' X' ' 4' ' ' ASP . . . 155.44 -158.89 28.79 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.44 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -136.07 -37.92 0.71 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.229 0.538 . . . . 0.0 109.862 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.58 -59.12 0.31 Allowed Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.691 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -171.13 136.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.772 0.32 . . . . 0.0 110.28 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . 0.41 ' C ' ' HG ' ' X' ' 13' ' ' SER . . . 69.14 -127.73 21.73 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.332 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' SER . . . . . 0.49 ' HB2' ' CG2' ' X' ' 2' ' ' THR . 78.8 p 50.33 51.13 17.38 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.25 0.62 . . . . 0.0 111.627 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 43.6 m -74.09 -38.94 63.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.348 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -87.11 129.02 35.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.123 0.487 . . . . 0.0 111.386 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 t -155.17 -47.29 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.072 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.33 -37.34 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.119 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.49 95.78 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.723 0.296 . . . . 0.0 110.774 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' X' ' 23' ' ' ARG . 57.4 t-80 -61.44 -36.02 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.991 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 60.3 m -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' ILE . . . . . 0.648 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.7 mt -63.61 -44.71 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.393 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.77 87.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' X' ' 19' ' ' HIS . 0.3 OUTLIER -64.0 -59.3 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.444 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 174.78 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.546 0.529 . . . . 0.0 110.961 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.648 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 27.0 m-85 -61.84 150.75 36.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.066 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . 0.746 ' HE ' ' HA ' ' X' ' 26' ' ' ARG . 2.7 tpm_? -64.89 -40.9 95.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.537 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.9 -144.64 4.15 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.896 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . 0.441 ' HA2' ' HG2' ' X' ' 39' ' ' ARG . . . 176.2 137.59 2.64 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . 0.457 ' CE1' ' CG1' ' X' ' 37' ' ' VAL . 5.3 p90 -110.54 156.56 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.819 0.342 . . . . 0.0 110.248 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 0.6 OUTLIER -72.12 110.06 6.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -67.68 154.85 40.56 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -56.2 -29.04 60.38 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -6.03 11.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.426 0.155 . . . . 0.0 111.179 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 65.96 39.58 4.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.482 0.713 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 35' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' X' ' 36' ' ' CYS . 19.8 t -120.3 -17.36 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.306 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 36' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 65.6 m 77.1 143.71 0.08 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.631 0.582 . . . . 0.0 109.794 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 37' ' ' VAL . . . . . 0.471 ' O ' HG12 ' X' ' 37' ' ' VAL . 13.2 p -137.13 136.2 47.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.1 0.476 . . . . 0.0 110.575 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 61.1 m -79.98 144.96 32.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.778 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 39' ' ' ARG . . . . . 0.441 ' HG2' ' HA2' ' X' ' 28' ' ' GLY . 30.6 ptt180 -143.59 149.54 37.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.779 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 40' ' ' ASN . . . . . 0.559 ' HB3' ' HA ' ' X' ' 25' ' ' TYR . 9.1 p-10 . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.452 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.559 HG23 ' HB3' ' X' ' 30' ' ' CYS . 4.3 m 65.03 107.6 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.845 0.716 . . . . 0.0 109.704 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.582 ' O ' ' HB2' ' X' ' 4' ' ' ASP . 67.9 m 66.36 92.5 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.939 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . 0.593 ' O ' ' HB1' ' X' ' 34' ' ' ALA . 0.8 OUTLIER 82.75 135.14 0.06 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.868 -177.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' X' ' 8' ' ' GLY . 3.0 mm? -85.29 -44.51 12.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.457 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.27 -101.71 0.14 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.966 -1.016 . . . . 0.0 112.189 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 13.4 p -53.81 -46.36 71.08 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' X' ' 5' ' ' LEU . . . 175.92 -127.07 1.2 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.665 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . 0.573 ' CE2' ' HA2' ' X' ' 12' ' ' GLY . 1.8 t80 -78.28 -30.8 48.68 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . 0.614 ' O ' HG11 ' X' ' 11' ' ' VAL . . . 61.1 60.79 7.78 Favored Glycine 0 CA--C 1.507 -0.446 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.518 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.614 HG11 ' O ' ' X' ' 10' ' ' GLY . 2.1 p 51.95 40.1 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 122.412 1.101 . . . . 0.0 111.878 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . 0.573 ' HA2' ' CE2' ' X' ' 9' ' ' PHE . . . 93.73 -19.69 51.38 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.697 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' X' ' 9' ' ' PHE . 22.7 t 62.99 34.46 13.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.48 0.657 . . . . 0.0 110.275 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 47.3 m -155.74 22.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.456 ' HB2' HG13 ' X' ' 11' ' ' VAL . 57.4 mt -117.85 39.71 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.414 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 39.4 t -102.68 -62.9 1.21 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.476 -0.489 . . . . 0.0 109.989 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.43 75.7 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.2 89.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' X' ' 15' ' ' LEU . 67.3 t60 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.388 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.686 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 61.1 m -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.665 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 82.1 mt -61.02 -41.09 87.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.227 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.15 85.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.753 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' X' ' 24' ' ' ARG . 0.0 OUTLIER -72.34 -55.09 7.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.964 179.736 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' X' ' 23' ' ' ARG . 18.1 ptt-85 169.99 -29.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.616 0.573 . . . . 0.0 110.755 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.686 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 35.2 m-85 -57.24 154.41 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.398 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 56.4 ttm-85 -65.37 -41.88 93.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.586 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.58 -151.44 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.546 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.63 151.74 23.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.374 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -129.55 136.45 49.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.684 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.7 p -72.92 122.69 22.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -87.16 34.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.617 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 32' ' ' SER . . . . . 0.401 ' C ' ' H ' ' X' ' 34' ' ' ALA . 46.1 m 65.61 -38.22 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.29 28.61 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' X' ' 4' ' ' ASP . . . 55.48 19.94 3.44 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.6 -46.35 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.663 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 36' ' ' CYS . . . . . 0.684 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 48.2 t 70.7 130.61 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.711 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.1 136.7 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.13 -0.356 . . . . 0.0 111.201 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.97 150.85 42.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.201 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -146.21 147.64 31.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.404 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.645 0.259 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' X' ' 14' ' ' SER . 1.5 m 59.74 -136.64 0.74 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.752 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' X' ' 4' ' ' ASP . 1.0 OUTLIER -124.83 47.96 2.06 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' X' ' 3' ' ' CYS . 1.8 m-20 77.03 127.55 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.094 -177.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.686 HD21 ' HA3' ' X' ' 8' ' ' GLY . 17.9 tp -156.07 86.03 1.03 Allowed 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.92 83.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.371 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 18.4 m -84.27 47.31 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.581 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . 0.686 ' HA3' HD21 ' X' ' 5' ' ' LEU . . . -167.34 -138.89 2.54 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.037 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 70.18 122.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.757 0.789 . . . . 0.0 110.61 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . 0.463 ' O ' ' HB ' ' X' ' 11' ' ' VAL . . . 168.47 58.28 0.03 OUTLIER Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.192 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' X' ' 10' ' ' GLY . 85.7 t 82.13 -39.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.494 0.718 . . . . 0.0 111.414 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . 0.401 ' HA3' HD21 ' X' ' 15' ' ' LEU . . . -63.7 129.01 38.74 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.73 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 8.7 p -67.67 -43.8 79.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.918 0.39 . . . . 0.0 111.25 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' SER . . . . . 0.445 ' HA ' ' OG1' ' X' ' 2' ' ' THR . 12.5 t -126.87 61.15 1.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.459 ' HA ' HD22 ' X' ' 15' ' ' LEU . 12.1 mt -59.14 -31.93 69.4 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.887 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.4 t -59.24 -55.99 27.79 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.985 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.515 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -62.25 -46.07 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.08 88.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.279 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -65.61 -39.15 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 92.5 m -62.31 -43.08 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.174 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' ILE . . . . . 0.681 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 89.1 mt -60.4 -43.05 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.59 71.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.17 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' X' ' 23' ' ' ARG . 1.5 tpm_? -85.78 22.92 1.53 Allowed 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.511 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 66.93 49.88 1.12 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.681 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 97.7 m-85 -134.34 153.05 52.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . 0.505 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 50.0 ttm-85 -68.61 -31.99 71.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.149 0.499 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.62 -147.97 7.06 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.2 131.71 2.91 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.954 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . 0.464 ' CZ ' ' HB ' ' X' ' 37' ' ' VAL . 52.8 p90 -92.91 135.58 34.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.96 0.409 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 57.9 m -84.6 106.51 16.22 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -71.28 162.32 29.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 18.8 t -66.48 -18.55 65.42 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.432 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.12 0.12 8.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.704 0.288 . . . . 0.0 110.266 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.04 36.61 24.35 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.702 0.763 . . . . 0.0 110.583 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 35' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' X' ' 36' ' ' CYS . 62.0 t -109.7 -35.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 36' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 53.5 t 70.0 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.754 0.659 . . . . 0.0 110.247 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 37' ' ' VAL . . . . . 0.464 ' HB ' ' CZ ' ' X' ' 29' ' ' TYR . 48.7 t -124.6 140.88 46.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 111.48 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 38' ' ' CYS . . . . . 0.403 ' N ' HG12 ' X' ' 37' ' ' VAL . 74.0 m -66.1 146.56 54.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.851 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -159.48 151.99 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 40' ' ' ASN . . . . . 0.51 ' OD1' ' HA ' ' X' ' 25' ' ' TYR . 73.4 m-20 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.954 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.894 0.378 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.434 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -63.18 -47.92 80.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.38 93.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.55 -41.16 84.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.173 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 93.0 m -66.34 -41.4 89.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.498 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 21' ' ' ILE . . . . . 0.493 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 73.9 mt -62.63 -45.32 99.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.967 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 45.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.269 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 23' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' X' ' 24' ' ' ARG . 11.2 ttp180 -154.05 -55.05 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.995 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 24' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' X' ' 23' ' ' ARG . 15.8 ptm180 178.91 -29.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.298 0.374 . . . . 0.0 111.044 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.705 ' HA ' ' HA ' ' X' ' 40' ' ' ASN . 8.8 m-85 -64.12 143.93 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.002 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.28 -39.89 94.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.85 -151.36 10.27 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.9 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 28' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' X' ' 38' ' ' CYS . . . -177.01 125.48 1.03 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.299 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -85.12 137.72 32.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 30' ' ' CYS . . . . . 0.769 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 78.6 m -85.93 100.73 12.3 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.51 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 31' ' ' ASN . . . . . 0.479 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.6 p-10 -72.18 156.98 38.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 10.8 p -70.53 45.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -147.88 16.48 1.1 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 52.23 31.73 9.66 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.937 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 35' ' ' VAL . . . . . 0.479 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 57.9 t -89.74 -25.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.0 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 36' ' ' CYS . . . . . 0.769 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 2.3 p 45.5 58.71 4.03 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.885 0.74 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 6.3 t -56.54 101.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.458 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 38' ' ' CYS . . . . . 0.491 ' HA ' ' CA ' ' X' ' 28' ' ' GLY . 88.0 m -77.83 162.63 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.264 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -146.3 138.23 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 40' ' ' ASN . . . . . 0.705 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 7.1 m120 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.636 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.74 -62.98 1.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.52 -53.61 54.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -69.09 -42.6 75.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.473 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.88 -41.72 95.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 21' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.9 mt -58.86 -41.51 83.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.081 0.467 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.039 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -81.37 32.13 0.34 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 60.73 47.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.575 ' HD1' ' HB2' ' X' ' 40' ' ' ASN . 67.2 m-85 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' X' ' 39' ' ' ARG . 0.0 OUTLIER -65.39 -30.53 71.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.06 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.27 -145.67 9.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.554 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 28' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' X' ' 38' ' ' CYS . . . -159.96 141.97 7.87 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.776 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -109.27 139.78 43.76 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 30' ' ' CYS . . . . . 0.622 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.3 p -69.19 127.27 32.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.212 0.529 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 31' ' ' ASN . . . . . 0.711 ' HB3' HG23 ' X' ' 37' ' ' VAL . 34.5 p-10 -89.29 35.33 0.81 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 32' ' ' SER . . . . . 0.451 ' C ' ' H ' ' X' ' 34' ' ' ALA . 23.7 t 69.27 -47.17 0.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.784 0.834 . . . . 0.0 113.167 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.51 23.65 0.09 Allowed 'General case' 0 N--CA 1.465 0.318 0 O-C-N 122.217 -0.302 . . . . 0.0 111.767 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 54.57 26.18 7.05 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.342 0.657 . . . . 0.0 112.126 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 35' ' ' VAL . . . . . 0.468 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 55.7 t -93.43 -40.45 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.173 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 43.9 t 70.93 124.46 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.741 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 37' ' ' VAL . . . . . 0.711 HG23 ' HB3' ' X' ' 31' ' ' ASN . 40.5 t -113.56 120.11 62.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 84.8 m -92.17 143.03 26.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.448 0.642 . . . . 0.0 111.862 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 39' ' ' ARG . . . . . 0.577 ' O ' ' HD2' ' X' ' 26' ' ' ARG . 10.1 ptp180 -145.53 157.71 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.281 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 40' ' ' ASN . . . . . 0.575 ' HB2' ' HD1' ' X' ' 25' ' ' TYR . 39.2 t30 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.047 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.418 ' O ' HG12 ' X' ' 21' ' ' ILE . . . -126.19 -45.07 1.71 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.32 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -64.19 -37.37 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.654 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 51.8 m -65.16 -33.65 76.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.645 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 21' ' ' ILE . . . . . 0.418 HG12 ' O ' ' X' ' 17' ' ' ALA . 49.5 mm -54.5 -45.55 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.051 0.453 . . . . 0.0 110.337 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.85 70.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.405 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' X' ' 24' ' ' ARG . 22.8 tpt180 -82.95 4.76 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 24' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' X' ' 23' ' ' ARG . 39.7 mmt180 73.19 41.58 0.48 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.405 0.682 . . . . 0.0 112.005 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.654 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 54.9 m-85 -131.89 138.02 48.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -60.3 -26.85 66.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.111 0.481 . . . . 0.0 111.279 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.32 -141.01 6.18 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 28' ' ' GLY . . . . . 0.781 ' HA2' ' HG3' ' X' ' 39' ' ' ARG . . . -172.43 -147.98 6.03 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.198 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -158.93 144.96 16.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 30' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 24.5 p -67.05 121.64 16.03 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.12 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 31' ' ' ASN . . . . . 0.857 ' HB3' HG23 ' X' ' 37' ' ' VAL . 30.6 p-10 -81.85 35.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.153 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 5.5 m 70.08 -46.94 0.61 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.993 0.917 . . . . 0.0 112.851 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -76.89 22.7 0.18 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.59 24.48 8.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.056 0.542 . . . . 0.0 112.123 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 35' ' ' VAL . . . . . 0.411 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 48.5 t -95.54 -39.94 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 36' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 47.6 t 70.04 129.45 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.719 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 37' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' X' ' 31' ' ' ASN . 21.1 t -114.15 129.67 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 76.4 m -71.97 152.09 42.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.195 0.521 . . . . 0.0 112.112 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 39' ' ' ARG . . . . . 0.781 ' HG3' ' HA2' ' X' ' 28' ' ' GLY . 0.0 OUTLIER -159.49 152.84 22.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.398 179.021 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 p30 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.924 179.641 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' X' ' 20' ' ' CYS . . . -85.12 -30.7 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.852 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.19 72.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.924 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 19' ' ' HIS . . . . . 0.439 ' O ' ' HG3' ' X' ' 23' ' ' ARG . 9.4 t-160 -62.25 -37.39 85.24 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' X' ' 17' ' ' ALA . 79.9 m -62.79 -41.46 99.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.266 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 21' ' ' ILE . . . . . 0.705 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 46.6 mt -65.58 -44.53 93.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.111 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.84 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.858 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 23' ' ' ARG . . . . . 0.737 ' O ' ' HG2' ' X' ' 24' ' ' ARG . 99.6 mtt180 -57.54 -66.34 0.48 Allowed 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 24' ' ' ARG . . . . . 0.737 ' HG2' ' O ' ' X' ' 23' ' ' ARG . 16.7 mmt180 -177.46 -31.58 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.278 0.986 . . . . 0.0 109.859 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.705 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 63.1 m-85 -58.64 149.74 25.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.701 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.541 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 4.3 tpm_? -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.192 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 27' ' ' GLY . . . . . 0.637 ' HA2' HG12 ' X' ' 21' ' ' ILE . . . -179.61 -141.02 4.37 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.761 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.91 -164.11 29.67 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.902 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -166.07 143.31 5.34 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 30' ' ' CYS . . . . . 0.637 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 46.6 t -76.69 129.2 36.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.019 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 31' ' ' ASN . . . . . 0.447 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 18.0 p-10 -91.52 36.13 0.95 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.465 0.65 . . . . 0.0 110.155 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 75.5 m 57.66 46.07 18.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.407 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 33' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' X' ' 33' ' ' LYS . 0.7 OUTLIER -156.48 20.19 0.34 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.867 0.842 . . . . 0.0 108.837 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.22 32.51 13.51 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.183 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 35' ' ' VAL . . . . . 0.447 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 97.1 t -101.89 -43.41 9.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.021 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 36' ' ' CYS . . . . . 0.637 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 84.0 m 63.24 76.54 0.36 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.098 0.475 . . . . 0.0 110.011 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.72 127.3 16.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.002 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 70.5 m -80.64 137.66 36.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -162.09 145.54 11.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.966 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 40' ' ' ASN . . . . . 0.541 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 25.9 t-20 . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.639 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.69 38.11 0.82 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.236 0.541 . . . . 0.0 110.443 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.97 -49.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.391 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -59.31 -37.4 77.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.269 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 66.8 m -65.02 -46.93 79.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.136 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.32 -41.2 90.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.209 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.83 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.933 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 23' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' X' ' 23' ' ' ARG . 24.3 mmt180 -79.89 16.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.563 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -124.35 151.78 43.94 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -69.68 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.94 -154.72 7.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.168 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.06 143.34 8.09 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -116.67 141.38 48.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 111.265 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -76.41 105.91 7.74 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 31' ' ' ASN . . . . . 0.621 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 20.7 p-10 -84.98 39.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.253 0.549 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 32' ' ' SER . . . . . 0.435 ' C ' ' H ' ' X' ' 34' ' ' ALA . 49.1 m 65.49 -42.85 0.35 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -76.33 24.14 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.072 -0.392 . . . . 0.0 111.693 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 51.89 27.68 4.5 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.463 0.705 . . . . 0.0 111.991 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 35' ' ' VAL . . . . . 0.621 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 46.0 t -82.74 -32.73 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t 58.94 60.46 2.45 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -59.2 118.57 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.894 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -69.23 141.06 54.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.297 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -113.79 124.92 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.73 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.605 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.493 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -59.05 -42.63 90.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.6 97.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.704 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -65.35 -41.67 93.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.703 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 73.1 m -61.97 -34.37 76.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.888 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 21' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 74.2 mt -57.34 -42.2 79.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.63 78.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.338 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 23' ' ' ARG . . . . . 0.523 ' HE ' ' HA ' ' X' ' 23' ' ' ARG . 2.4 tpm_? -79.21 23.15 0.38 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.053 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 68.72 34.07 3.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 3.5 m-85 -109.72 149.75 29.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.28 -37.94 89.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.363 0.601 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.11 -150.62 15.92 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.226 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 28' ' ' GLY . . . . . 0.64 ' HA2' ' HA ' ' X' ' 38' ' ' CYS . . . -150.56 125.68 1.98 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 29' ' ' TYR . . . . . 0.494 ' HE1' ' OD1' ' X' ' 31' ' ' ASN . 17.6 p90 -97.01 141.93 29.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 0.0 110.053 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 30' ' ' CYS . . . . . 0.485 ' C ' ' H ' ' X' ' 32' ' ' SER . 88.6 m -96.3 120.98 37.58 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.04 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 31' ' ' ASN . . . . . 0.494 ' OD1' ' HE1' ' X' ' 29' ' ' TYR . 59.1 m-20 -77.35 30.87 0.15 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 32' ' ' SER . . . . . 0.485 ' H ' ' C ' ' X' ' 30' ' ' CYS . 17.5 t 71.07 -38.48 0.42 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.964 0.906 . . . . 0.0 111.45 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 33' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' X' ' 31' ' ' ASN . 0.9 OUTLIER -76.83 31.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.552 0.341 . . . . 0.0 111.679 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 51.02 30.26 5.23 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 111.737 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.96 -42.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t 55.79 65.03 1.56 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.187 0.518 . . . . 0.0 111.114 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.14 120.42 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.022 0.439 . . . . 0.0 110.691 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 38' ' ' CYS . . . . . 0.64 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 63.1 m -84.52 150.26 25.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.201 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 39' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' X' ' 39' ' ' ARG . 18.6 ptt-85 -142.08 128.48 20.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 40' ' ' ASN . . . . . 0.565 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 17.7 p30 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.038 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.93 82.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.065 0.46 . . . . 0.0 110.289 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.96 93.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.875 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.81 -39.2 90.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.25 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 68.5 m -61.91 -57.44 11.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.93 -35.92 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.82 -40.97 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 23' ' ' ARG . . . . . 0.675 HH11 ' HE1' ' X' ' 25' ' ' TYR . 44.1 ttt-85 -86.09 22.31 1.77 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 64.48 51.69 1.95 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.675 ' HE1' HH11 ' X' ' 23' ' ' ARG . 16.1 m-85 -120.94 145.91 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.442 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 6.1 mmp_? -67.54 -37.67 83.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.08 -150.7 6.21 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.393 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.42 165.47 34.23 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -144.24 142.03 30.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.113 0.483 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 30' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 72.1 m -78.26 110.7 13.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.118 0.485 . . . . 0.0 109.928 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 31' ' ' ASN . . . . . 0.755 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.0 p-10 -84.09 44.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.407 0.622 . . . . 0.0 111.235 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 32' ' ' SER . . . . . 0.404 ' C ' ' H ' ' X' ' 34' ' ' ALA . 15.9 m 66.31 -46.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.67 27.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.416 0.553 . . . . 0.0 112.335 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 53.81 19.6 1.97 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.207 0.603 . . . . 0.0 111.959 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 35' ' ' VAL . . . . . 0.755 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 85.9 t -73.18 -36.16 49.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 36' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 37.2 t 60.29 61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 109.932 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.6 123.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 97.1 m -78.64 150.76 32.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.721 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -132.72 133.34 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.091 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 40' ' ' ASN . . . . . 0.442 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 18.5 t-20 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.931 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.33 -37.34 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.119 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.49 95.78 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.723 0.296 . . . . 0.0 110.774 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 19' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' X' ' 23' ' ' ARG . 57.4 t-80 -61.44 -36.02 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.991 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 60.3 m -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 21' ' ' ILE . . . . . 0.659 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.7 mt -63.61 -44.71 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.393 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.77 87.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 23' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' X' ' 19' ' ' HIS . 0.3 OUTLIER -64.0 -59.3 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.444 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 174.78 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.546 0.529 . . . . 0.0 110.961 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 27.0 m-85 -61.84 150.75 36.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.066 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.756 ' HE ' ' HA ' ' X' ' 26' ' ' ARG . 2.7 tpm_? -64.89 -40.9 95.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.537 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.9 -144.64 4.15 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.896 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 28' ' ' GLY . . . . . 0.452 ' HA2' ' HG2' ' X' ' 39' ' ' ARG . . . 176.2 137.59 2.64 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 29' ' ' TYR . . . . . 0.457 ' CE1' ' CG1' ' X' ' 37' ' ' VAL . 5.3 p90 -110.54 156.56 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.819 0.342 . . . . 0.0 110.248 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 30' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 0.6 OUTLIER -72.12 110.06 6.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 31' ' ' ASN . . . . . 0.412 HD22 ' HB ' ' X' ' 37' ' ' VAL . 29.2 p30 -67.68 154.85 40.56 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -56.2 -29.04 60.38 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -6.03 11.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.426 0.155 . . . . 0.0 111.179 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 65.96 39.58 4.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.482 0.713 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 35' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' X' ' 36' ' ' CYS . 19.8 t -120.3 -17.36 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.306 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 36' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 65.6 m 77.1 143.71 0.08 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.631 0.582 . . . . 0.0 109.794 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 37' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' X' ' 29' ' ' TYR . 13.2 p -137.13 136.2 47.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.1 0.476 . . . . 0.0 110.575 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 61.1 m -79.98 144.96 32.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.778 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 39' ' ' ARG . . . . . 0.452 ' HG2' ' HA2' ' X' ' 28' ' ' GLY . 30.6 ptt180 -143.59 149.54 37.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.779 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 40' ' ' ASN . . . . . 0.567 ' HB3' ' HA ' ' X' ' 25' ' ' TYR . 9.1 p-10 . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.452 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.43 75.7 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.2 89.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.388 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.712 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 61.1 m -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.665 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 21' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 82.1 mt -61.02 -41.09 87.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.227 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.15 85.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.753 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 23' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' X' ' 24' ' ' ARG . 0.0 OUTLIER -72.34 -55.09 7.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.964 179.736 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 24' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' X' ' 23' ' ' ARG . 18.1 ptt-85 169.99 -29.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.616 0.573 . . . . 0.0 110.755 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.712 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 35.2 m-85 -57.24 154.41 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.398 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.425 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 56.4 ttm-85 -65.37 -41.88 93.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.586 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.58 -151.44 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.546 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.63 151.74 23.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.374 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -129.55 136.45 49.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 30' ' ' CYS . . . . . 0.682 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.7 p -72.92 122.69 22.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -87.16 34.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.617 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 46.1 m 65.61 -38.22 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.29 28.61 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.48 19.94 3.44 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.6 -46.35 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.663 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 36' ' ' CYS . . . . . 0.682 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 48.2 t 70.7 130.61 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.711 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.1 136.7 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.13 -0.356 . . . . 0.0 111.201 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.97 150.85 42.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.201 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -146.21 147.64 31.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.404 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 40' ' ' ASN . . . . . 0.425 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 53.4 t-20 . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 C--O 1.227 -0.125 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.517 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -62.25 -46.07 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.08 88.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.279 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -65.61 -39.15 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 92.5 m -62.31 -43.08 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.174 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 21' ' ' ILE . . . . . 0.692 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 89.1 mt -60.4 -43.05 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.59 71.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.17 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 23' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' X' ' 23' ' ' ARG . 1.5 tpm_? -85.78 22.92 1.53 Allowed 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.511 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 66.93 49.88 1.12 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.692 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 97.7 m-85 -134.34 153.05 52.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.576 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 50.0 ttm-85 -68.61 -31.99 71.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.149 0.499 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.62 -147.97 7.06 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.2 131.71 2.91 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.954 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 29' ' ' TYR . . . . . 0.469 ' CZ ' ' HB ' ' X' ' 37' ' ' VAL . 52.8 p90 -92.91 135.58 34.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.96 0.409 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 30' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 57.9 m -84.6 106.51 16.22 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -71.28 162.32 29.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 18.8 t -66.48 -18.55 65.42 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.432 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.12 0.12 8.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.704 0.288 . . . . 0.0 110.266 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.04 36.61 24.35 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.702 0.763 . . . . 0.0 110.583 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 35' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' X' ' 36' ' ' CYS . 62.0 t -109.7 -35.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 53.5 t 70.0 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.754 0.659 . . . . 0.0 110.247 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CZ ' ' X' ' 29' ' ' TYR . 48.7 t -124.6 140.88 46.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 111.48 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.1 146.56 54.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -159.48 151.99 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 40' ' ' ASN . . . . . 0.576 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 73.4 m-20 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.954 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.425 0.155 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m 62.43 -127.93 0.65 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.323 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' X' ' 36' ' ' CYS . 93.1 m -111.87 26.29 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.085 -0.384 . . . . 0.0 110.712 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -77.92 130.6 36.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.68 -36.29 2.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.021 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.07 -120.02 0.4 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.462 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -69.92 -49.01 56.25 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.924 0.393 . . . . 0.0 110.166 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.97 146.53 4.43 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.199 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -167.79 -28.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.472 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.22 -130.22 2.29 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -114.84 147.36 18.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.41 -147.01 0.92 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.243 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 7.7 m -75.02 -38.31 61.53 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.698 -0.295 . . . . 0.0 111.215 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 21.1 m 66.14 8.7 5.71 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.861 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' X' ' 19' ' ' HIS . 95.6 mt -64.56 -38.24 90.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.963 0.411 . . . . 0.0 110.299 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.18 -49.25 78.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.267 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.434 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -63.18 -47.92 80.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.38 93.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' X' ' 15' ' ' LEU . 1.9 t-80 -58.55 -41.16 84.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.173 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 93.0 m -66.34 -41.4 89.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.498 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 21' ' ' ILE . . . . . 0.493 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 73.9 mt -62.63 -45.32 99.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.967 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 45.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.269 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' X' ' 24' ' ' ARG . 11.2 ttp180 -154.05 -55.05 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.995 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 24' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' X' ' 23' ' ' ARG . 15.8 ptm180 178.91 -29.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.298 0.374 . . . . 0.0 111.044 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.705 ' HA ' ' HA ' ' X' ' 40' ' ' ASN . 8.8 m-85 -64.12 143.93 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.002 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.28 -39.89 94.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.85 -151.36 10.27 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.9 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 28' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' X' ' 38' ' ' CYS . . . -177.01 125.48 1.03 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.299 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -85.12 137.72 32.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.769 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 78.6 m -85.93 100.73 12.3 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.51 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 31' ' ' ASN . . . . . 0.479 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.6 p-10 -72.18 156.98 38.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 10.8 p -70.53 45.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -147.88 16.48 1.1 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 52.23 31.73 9.66 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.937 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 35' ' ' VAL . . . . . 0.479 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 57.9 t -89.74 -25.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.0 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 36' ' ' CYS . . . . . 0.769 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 2.3 p 45.5 58.71 4.03 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.885 0.74 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 6.3 t -56.54 101.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.458 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 38' ' ' CYS . . . . . 0.491 ' HA ' ' CA ' ' X' ' 28' ' ' GLY . 88.0 m -77.83 162.63 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.264 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -146.3 138.23 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 40' ' ' ASN . . . . . 0.705 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 7.1 m120 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.636 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 1' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' X' ' 7' ' ' SER . . . . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.91 0.386 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 2.8 m -56.96 113.93 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.52 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 93.6 m 60.58 42.11 14.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 4' ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' X' ' 34' ' ' ALA . 34.1 t0 -144.22 130.34 19.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 44.8 46.49 8.77 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.37 0.668 . . . . 0.0 111.129 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.81 35.79 24.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.544 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' X' ' 1' ' ' ALA . 46.3 m 56.87 45.58 21.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.886 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.88 -145.14 3.55 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.958 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -91.77 -162.52 0.93 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.577 0.227 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.2 -53.58 0.58 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.235 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -173.68 123.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.116 0.484 . . . . 0.0 110.539 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.81 138.67 18.46 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' X' ' 16' ' ' CYS . 11.9 t -69.8 -60.41 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.897 0.349 . . . . 0.0 110.207 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 19.0 m 69.18 -47.81 0.58 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.625 0.77 . . . . 0.0 112.253 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' X' ' 19' ' ' HIS . 3.8 pp -72.22 -32.79 67.06 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 16' ' ' CYS . . . . . 0.405 ' HB2' ' OG ' ' X' ' 13' ' ' SER . 43.2 t -47.08 -34.31 5.78 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.885 0.741 . . . . 0.0 112.152 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.74 -62.98 1.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.52 -53.61 54.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' HIS . . . . . 0.449 ' CB ' ' HA ' ' X' ' 15' ' ' LEU . 8.2 t-160 -69.09 -42.6 75.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.473 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.88 -41.72 95.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 21' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.9 mt -58.86 -41.51 83.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.081 0.467 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.039 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -81.37 32.13 0.34 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 60.73 47.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.575 ' HD1' ' HB2' ' X' ' 40' ' ' ASN . 67.2 m-85 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' X' ' 39' ' ' ARG . 0.0 OUTLIER -65.39 -30.53 71.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.06 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.27 -145.67 9.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.554 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 28' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' X' ' 38' ' ' CYS . . . -159.96 141.97 7.87 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.776 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -109.27 139.78 43.76 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.622 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.3 p -69.19 127.27 32.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.212 0.529 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 31' ' ' ASN . . . . . 0.711 ' HB3' HG23 ' X' ' 37' ' ' VAL . 34.5 p-10 -89.29 35.33 0.81 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 32' ' ' SER . . . . . 0.451 ' C ' ' H ' ' X' ' 34' ' ' ALA . 23.7 t 69.27 -47.17 0.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.784 0.834 . . . . 0.0 113.167 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.51 23.65 0.09 Allowed 'General case' 0 N--CA 1.465 0.318 0 O-C-N 122.217 -0.302 . . . . 0.0 111.767 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.677 ' HB2' ' HB2' ' X' ' 4' ' ' ASP . . . 54.57 26.18 7.05 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.342 0.657 . . . . 0.0 112.126 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 35' ' ' VAL . . . . . 0.468 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 55.7 t -93.43 -40.45 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.173 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 43.9 t 70.93 124.46 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.741 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 37' ' ' VAL . . . . . 0.711 HG23 ' HB3' ' X' ' 31' ' ' ASN . 40.5 t -113.56 120.11 62.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 84.8 m -92.17 143.03 26.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.448 0.642 . . . . 0.0 111.862 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 39' ' ' ARG . . . . . 0.577 ' O ' ' HD2' ' X' ' 26' ' ' ARG . 10.1 ptp180 -145.53 157.71 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.281 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 40' ' ' ASN . . . . . 0.575 ' HB2' ' HD1' ' X' ' 25' ' ' TYR . 39.2 t30 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.047 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 121.079 0.466 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.671 ' OG1' ' HA ' ' X' ' 13' ' ' SER . 2.0 m -76.46 142.0 41.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.369 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 64.1 m -62.82 115.83 4.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -66.78 130.85 44.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.072 0.463 . . . . 0.0 111.238 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.637 HD23 ' H ' ' X' ' 5' ' ' LEU . 0.9 OUTLIER -94.48 -33.45 13.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.679 179.504 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.78 -50.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.047 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -157.19 -44.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.653 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.13 149.81 8.54 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.238 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -162.39 47.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.685 0.755 . . . . 0.0 109.018 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.31 159.71 14.53 Favored Glycine 0 N--CA 1.435 -1.4 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.87 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.11 -34.94 71.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 114.973 -0.614 . . . . 0.0 110.571 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.62 -121.22 0.77 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.104 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.671 ' HA ' ' OG1' ' X' ' 2' ' ' THR . 28.4 p -84.23 -0.76 53.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.805 0.336 . . . . 0.0 111.283 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m 63.01 43.64 6.46 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.938 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 1.007 ' HB3' ' HB2' ' X' ' 19' ' ' HIS . 95.5 mt 60.8 46.17 9.16 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.21 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.31 -24.28 60.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.98 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.418 ' O ' HG12 ' X' ' 21' ' ' ILE . . . -126.19 -45.07 1.71 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.32 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 19' ' ' HIS . . . . . 1.007 ' HB2' ' HB3' ' X' ' 15' ' ' LEU . 61.2 t-80 -64.19 -37.37 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.654 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 51.8 m -65.16 -33.65 76.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.645 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 21' ' ' ILE . . . . . 0.418 HG12 ' O ' ' X' ' 17' ' ' ALA . 49.5 mm -54.5 -45.55 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.051 0.453 . . . . 0.0 110.337 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.85 70.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.405 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' X' ' 24' ' ' ARG . 22.8 tpt180 -82.95 4.76 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 24' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' X' ' 23' ' ' ARG . 39.7 mmt180 73.19 41.58 0.48 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.405 0.682 . . . . 0.0 112.005 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.654 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 54.9 m-85 -131.89 138.02 48.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -60.3 -26.85 66.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.111 0.481 . . . . 0.0 111.279 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.32 -141.01 6.18 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 28' ' ' GLY . . . . . 0.781 ' HA2' ' HG3' ' X' ' 39' ' ' ARG . . . -172.43 -147.98 6.03 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.198 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -158.93 144.96 16.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 24.5 p -67.05 121.64 16.03 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.12 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 31' ' ' ASN . . . . . 0.857 ' HB3' HG23 ' X' ' 37' ' ' VAL . 30.6 p-10 -81.85 35.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.153 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 5.5 m 70.08 -46.94 0.61 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.993 0.917 . . . . 0.0 112.851 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -76.89 22.7 0.18 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.59 24.48 8.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.056 0.542 . . . . 0.0 112.123 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 35' ' ' VAL . . . . . 0.411 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 48.5 t -95.54 -39.94 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 36' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 47.6 t 70.04 129.45 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.719 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 37' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' X' ' 31' ' ' ASN . 21.1 t -114.15 129.67 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 76.4 m -71.97 152.09 42.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.195 0.521 . . . . 0.0 112.112 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 39' ' ' ARG . . . . . 0.781 ' HG3' ' HA2' ' X' ' 28' ' ' GLY . 0.0 OUTLIER -159.49 152.84 22.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.398 179.021 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 p30 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.924 179.641 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.572 ' OG1' ' HB2' ' X' ' 13' ' ' SER . 7.5 m -59.35 -55.8 30.15 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.528 0.68 . . . . 0.0 110.636 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' X' ' 2' ' ' THR . 7.6 t 176.83 -142.04 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.659 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -71.36 126.75 30.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 92.8 mt -116.03 45.13 1.8 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.571 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.44 90.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.125 0.488 . . . . 0.0 110.381 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 28.4 p -82.22 -41.91 19.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.9 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.99 129.23 1.37 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.989 -0.625 . . . . 0.0 111.732 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.61 44.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.025 0.441 . . . . 0.0 111.639 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.56 -44.28 1.21 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.645 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t 63.92 49.6 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.936 0.874 . . . . 0.0 109.803 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.92 122.76 0.8 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.888 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.572 ' HB2' ' OG1' ' X' ' 2' ' ' THR . 20.6 t -105.81 -29.82 9.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.673 0.273 . . . . 0.0 110.439 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 14' ' ' SER . . . . . 0.456 ' HB3' HD23 ' X' ' 15' ' ' LEU . 12.8 t 75.56 -42.94 0.48 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.051 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.668 ' HB2' ' HB3' ' X' ' 18' ' ' ALA . 1.4 pt? -164.19 60.02 0.15 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 16' ' ' CYS . . . . . 0.408 ' HB2' ' OG ' ' X' ' 13' ' ' SER . 5.4 t -61.91 -59.64 4.82 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 110.092 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' X' ' 20' ' ' CYS . . . -85.12 -30.7 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.852 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.668 ' HB3' ' HB2' ' X' ' 15' ' ' LEU . . . -60.46 -33.19 72.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.924 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 19' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' X' ' 15' ' ' LEU . 9.4 t-160 -62.25 -37.39 85.24 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' X' ' 17' ' ' ALA . 79.9 m -62.79 -41.46 99.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.266 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 21' ' ' ILE . . . . . 0.705 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 46.6 mt -65.58 -44.53 93.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.111 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.84 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.858 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.737 ' O ' ' HG2' ' X' ' 24' ' ' ARG . 99.6 mtt180 -57.54 -66.34 0.48 Allowed 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 24' ' ' ARG . . . . . 0.737 ' HG2' ' O ' ' X' ' 23' ' ' ARG . 16.7 mmt180 -177.46 -31.58 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.278 0.986 . . . . 0.0 109.859 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.705 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 63.1 m-85 -58.64 149.74 25.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.701 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.541 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 4.3 tpm_? -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.192 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 27' ' ' GLY . . . . . 0.637 ' HA2' HG12 ' X' ' 21' ' ' ILE . . . -179.61 -141.02 4.37 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.761 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.91 -164.11 29.67 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.902 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -166.07 143.31 5.34 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.637 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 46.6 t -76.69 129.2 36.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.019 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 31' ' ' ASN . . . . . 0.447 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 18.0 p-10 -91.52 36.13 0.95 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.465 0.65 . . . . 0.0 110.155 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 75.5 m 57.66 46.07 18.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.407 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 33' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' X' ' 33' ' ' LYS . 0.7 OUTLIER -156.48 20.19 0.34 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.867 0.842 . . . . 0.0 108.837 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.22 32.51 13.51 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.183 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 35' ' ' VAL . . . . . 0.447 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 97.1 t -101.89 -43.41 9.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.021 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 36' ' ' CYS . . . . . 0.637 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 84.0 m 63.24 76.54 0.36 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.098 0.475 . . . . 0.0 110.011 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.72 127.3 16.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.002 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 70.5 m -80.64 137.66 36.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -162.09 145.54 11.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.966 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 40' ' ' ASN . . . . . 0.541 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 25.9 t-20 . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.639 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 1' ' ' ALA . . . . . 0.499 ' HA ' ' OG ' ' X' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.485 0.183 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -57.24 10.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.159 0.504 . . . . 0.0 111.578 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 63.4 m -150.46 54.15 0.9 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.359 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 4' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' X' ' 34' ' ' ALA . 60.8 m-20 68.7 119.88 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.877 0.736 . . . . 0.0 111.299 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.98 -43.39 35.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.788 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.5 33.47 23.14 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.834 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t 179.49 -55.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.264 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.77 -160.43 32.37 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.745 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -82.07 42.91 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.364 0.602 . . . . 0.0 111.306 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.04 33.28 4.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.723 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -177.01 146.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.92 101.53 0.49 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.266 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' X' ' 1' ' ' ALA . 14.3 t -80.4 53.77 1.88 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.929 0.395 . . . . 0.0 111.195 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -176.07 -35.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.162 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -83.3 24.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 38.4 t -63.87 -57.42 9.88 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.69 38.11 0.82 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.236 0.541 . . . . 0.0 110.443 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.97 -49.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.391 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -59.31 -37.4 77.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.269 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 66.8 m -65.02 -46.93 79.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.136 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.32 -41.2 90.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.209 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.83 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.933 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' X' ' 23' ' ' ARG . 24.3 mmt180 -79.89 16.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.563 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -124.35 151.78 43.94 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -69.68 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.94 -154.72 7.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.168 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.06 143.34 8.09 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -116.67 141.38 48.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 111.265 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -76.41 105.91 7.74 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 31' ' ' ASN . . . . . 0.621 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 20.7 p-10 -84.98 39.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.253 0.549 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 32' ' ' SER . . . . . 0.435 ' C ' ' H ' ' X' ' 34' ' ' ALA . 49.1 m 65.49 -42.85 0.35 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -76.33 24.14 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.072 -0.392 . . . . 0.0 111.693 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' X' ' 4' ' ' ASP . . . 51.89 27.68 4.5 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.463 0.705 . . . . 0.0 111.991 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 35' ' ' VAL . . . . . 0.621 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 46.0 t -82.74 -32.73 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t 58.94 60.46 2.45 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -59.2 118.57 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.894 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -69.23 141.06 54.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.297 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -113.79 124.92 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.73 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.605 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.49 ' HA ' ' HB2' ' X' ' 13' ' ' SER . 89.7 m 72.22 141.33 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 122.704 0.402 . . . . 0.0 111.353 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' X' ' 34' ' ' ALA . 68.1 m 73.72 144.17 0.07 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.083 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.29 144.37 46.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.563 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.677 HD11 ' HA3' ' X' ' 8' ' ' GLY . 1.8 pt? -137.42 -31.28 0.81 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.422 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 71.17 128.7 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.019 0.824 . . . . 0.0 110.822 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t 64.34 49.96 2.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.762 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 8' ' ' GLY . . . . . 0.677 ' HA3' HD11 ' X' ' 5' ' ' LEU . . . -161.72 -119.2 0.5 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.489 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 9' ' ' PHE . . . . . 0.546 ' HB3' ' HA3' ' X' ' 12' ' ' GLY . 57.0 m-85 -75.1 -26.82 59.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.931 0.396 . . . . 0.0 111.126 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.2 -96.42 1.22 Allowed Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -105.86 30.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 122.353 1.073 . . . . 0.0 109.203 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 12' ' ' GLY . . . . . 0.546 ' HA3' ' HB3' ' X' ' 9' ' ' PHE . . . -72.73 114.47 4.86 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.504 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' X' ' 2' ' ' THR . 25.4 t -173.93 110.53 0.16 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 4.8 p -61.29 -54.35 45.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.44 ' HB2' ' HB2' ' X' ' 19' ' ' HIS . 0.8 OUTLIER -173.62 128.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.116 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.13 -89.44 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.243 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.493 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -59.05 -42.63 90.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.6 97.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.704 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 19' ' ' HIS . . . . . 0.44 ' HB2' ' HB2' ' X' ' 15' ' ' LEU . 18.7 t-160 -65.35 -41.67 93.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.703 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 73.1 m -61.97 -34.37 76.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.888 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 21' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 74.2 mt -57.34 -42.2 79.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.63 78.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.338 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.523 ' HE ' ' HA ' ' X' ' 23' ' ' ARG . 2.4 tpm_? -79.21 23.15 0.38 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.053 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 68.72 34.07 3.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 3.5 m-85 -109.72 149.75 29.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.28 -37.94 89.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.363 0.601 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.11 -150.62 15.92 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.226 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 28' ' ' GLY . . . . . 0.64 ' HA2' ' HA ' ' X' ' 38' ' ' CYS . . . -150.56 125.68 1.98 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 29' ' ' TYR . . . . . 0.494 ' HE1' ' OD1' ' X' ' 31' ' ' ASN . 17.6 p90 -97.01 141.93 29.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 0.0 110.053 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.485 ' C ' ' H ' ' X' ' 32' ' ' SER . 88.6 m -96.3 120.98 37.58 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.04 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 31' ' ' ASN . . . . . 0.494 ' OD1' ' HE1' ' X' ' 29' ' ' TYR . 59.1 m-20 -77.35 30.87 0.15 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 32' ' ' SER . . . . . 0.485 ' H ' ' C ' ' X' ' 30' ' ' CYS . 17.5 t 71.07 -38.48 0.42 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.964 0.906 . . . . 0.0 111.45 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 33' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' X' ' 31' ' ' ASN . 0.9 OUTLIER -76.83 31.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.552 0.341 . . . . 0.0 111.679 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.494 ' HA ' ' SG ' ' X' ' 3' ' ' CYS . . . 51.02 30.26 5.23 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 111.737 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.96 -42.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 36' ' ' CYS . . . . . 0.411 ' HB2' ' SG ' ' X' ' 3' ' ' CYS . 42.3 t 55.79 65.03 1.56 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.187 0.518 . . . . 0.0 111.114 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.14 120.42 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.022 0.439 . . . . 0.0 110.691 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 38' ' ' CYS . . . . . 0.64 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 63.1 m -84.52 150.26 25.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.201 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 39' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' X' ' 39' ' ' ARG . 18.6 ptt-85 -142.08 128.48 20.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 40' ' ' ASN . . . . . 0.565 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 17.7 p30 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.038 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 1' ' ' ALA . . . . . 0.55 ' HB1' ' O ' ' X' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' X' ' 13' ' ' SER . 12.5 p -66.3 126.18 27.93 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 38.7 m -61.58 123.36 17.67 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 44.9 p-10 -63.04 144.45 56.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.674 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.623 HD23 ' H ' ' X' ' 5' ' ' LEU . 1.6 pt? -112.43 18.51 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.618 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.75 39.39 29.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.005 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 42.5 m -159.21 -35.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.2 -164.31 50.36 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.31 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -170.93 -36.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.007 0.432 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 -135.09 4.36 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.28 127.03 40.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.159 0.504 . . . . 0.0 110.288 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.1 40.48 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.931 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.55 ' O ' ' HB1' ' X' ' 1' ' ' ALA . 50.0 m -81.69 -38.55 25.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.828 0.346 . . . . 0.0 110.468 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -85.66 -178.75 6.73 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.806 0.336 . . . . 0.0 110.576 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mp 64.58 49.42 2.37 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.586 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 t -106.48 -94.34 0.37 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.93 82.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.065 0.46 . . . . 0.0 110.289 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.96 93.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.875 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.81 -39.2 90.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.25 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 68.5 m -61.91 -57.44 11.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.93 -35.92 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.82 -40.97 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.675 HH11 ' HE1' ' X' ' 25' ' ' TYR . 44.1 ttt-85 -86.09 22.31 1.77 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 64.48 51.69 1.95 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.675 ' HE1' HH11 ' X' ' 23' ' ' ARG . 16.1 m-85 -120.94 145.91 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.442 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 6.1 mmp_? -67.54 -37.67 83.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.08 -150.7 6.21 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.393 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.42 165.47 34.23 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -144.24 142.03 30.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.113 0.483 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 72.1 m -78.26 110.7 13.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.118 0.485 . . . . 0.0 109.928 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 31' ' ' ASN . . . . . 0.755 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.0 p-10 -84.09 44.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.407 0.622 . . . . 0.0 111.235 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 32' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' X' ' 5' ' ' LEU . 15.9 m 66.31 -46.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.67 27.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.416 0.553 . . . . 0.0 112.335 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 53.81 19.6 1.97 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.207 0.603 . . . . 0.0 111.959 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 35' ' ' VAL . . . . . 0.755 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 85.9 t -73.18 -36.16 49.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 36' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 37.2 t 60.29 61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 109.932 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.6 123.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 97.1 m -78.64 150.76 32.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.721 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -132.72 133.34 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.091 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 40' ' ' ASN . . . . . 0.442 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 18.5 t-20 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.931 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.785 HG23 ' HB2' ' X' ' 13' ' ' SER . 15.4 p -76.91 -108.02 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 111.41 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 55.6 m -75.52 75.7 2.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.578 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 4' ' ' ASP . . . . . 0.689 ' HA ' ' O ' ' X' ' 8' ' ' GLY . 12.6 p-10 -60.96 121.36 12.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.548 0.69 . . . . 0.0 111.297 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.634 HD23 ' H ' ' X' ' 5' ' ' LEU . 0.6 OUTLIER -81.68 -37.69 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.137 -179.404 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -143.22 -47.16 0.3 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.718 0.294 . . . . 0.0 111.314 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 11.9 p -158.12 33.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.248 0.547 . . . . 0.0 110.547 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 8' ' ' GLY . . . . . 0.689 ' O ' ' HA ' ' X' ' 4' ' ' ASP . . . 155.44 -158.89 28.79 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.44 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -136.07 -37.92 0.71 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.229 0.538 . . . . 0.0 109.862 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.58 -59.12 0.31 Allowed Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.691 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -171.13 136.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.772 0.32 . . . . 0.0 110.28 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.14 -127.73 21.73 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.332 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.785 ' HB2' HG23 ' X' ' 2' ' ' THR . 78.8 p 50.33 51.13 17.38 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.25 0.62 . . . . 0.0 111.627 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 43.6 m -74.09 -38.94 63.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.348 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.728 ' H ' HD23 ' X' ' 15' ' ' LEU . 2.1 pt? -87.11 129.02 35.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.123 0.487 . . . . 0.0 111.386 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 16' ' ' CYS . . . . . 0.692 ' HB2' HG22 ' X' ' 2' ' ' THR . 50.5 t -155.17 -47.29 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.072 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.33 -37.34 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.119 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.49 95.78 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.723 0.296 . . . . 0.0 110.774 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 19' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' X' ' 23' ' ' ARG . 57.4 t-80 -61.44 -36.02 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.991 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 60.3 m -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 21' ' ' ILE . . . . . 0.659 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.7 mt -63.61 -44.71 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.393 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.77 87.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' X' ' 19' ' ' HIS . 0.3 OUTLIER -64.0 -59.3 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.444 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 174.78 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.546 0.529 . . . . 0.0 110.961 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 27.0 m-85 -61.84 150.75 36.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.066 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.756 ' HE ' ' HA ' ' X' ' 26' ' ' ARG . 2.7 tpm_? -64.89 -40.9 95.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.537 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.9 -144.64 4.15 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.896 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 28' ' ' GLY . . . . . 0.452 ' HA2' ' HG2' ' X' ' 39' ' ' ARG . . . 176.2 137.59 2.64 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 29' ' ' TYR . . . . . 0.457 ' CE1' ' CG1' ' X' ' 37' ' ' VAL . 5.3 p90 -110.54 156.56 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.819 0.342 . . . . 0.0 110.248 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 0.6 OUTLIER -72.12 110.06 6.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 31' ' ' ASN . . . . . 0.412 HD22 ' HB ' ' X' ' 37' ' ' VAL . 29.2 p30 -67.68 154.85 40.56 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -56.2 -29.04 60.38 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -6.03 11.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.426 0.155 . . . . 0.0 111.179 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 65.96 39.58 4.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.482 0.713 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 35' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' X' ' 36' ' ' CYS . 19.8 t -120.3 -17.36 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.306 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 36' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 65.6 m 77.1 143.71 0.08 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.631 0.582 . . . . 0.0 109.794 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 37' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' X' ' 29' ' ' TYR . 13.2 p -137.13 136.2 47.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.1 0.476 . . . . 0.0 110.575 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 61.1 m -79.98 144.96 32.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.778 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 39' ' ' ARG . . . . . 0.452 ' HG2' ' HA2' ' X' ' 28' ' ' GLY . 30.6 ptt180 -143.59 149.54 37.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.779 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 40' ' ' ASN . . . . . 0.567 ' HB3' ' HA ' ' X' ' 25' ' ' TYR . 9.1 p-10 . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.452 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m 65.03 107.6 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.845 0.716 . . . . 0.0 109.704 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.586 ' O ' ' HB2' ' X' ' 4' ' ' ASP . 67.9 m 66.36 92.5 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.939 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 4' ' ' ASP . . . . . 0.586 ' HB2' ' O ' ' X' ' 3' ' ' CYS . 0.8 OUTLIER 82.75 135.14 0.06 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.868 -177.746 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' X' ' 8' ' ' GLY . 3.0 mm? -85.29 -44.51 12.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.457 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.27 -101.71 0.14 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.966 -1.016 . . . . 0.0 112.189 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 13.4 p -53.81 -46.36 71.08 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 8' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' X' ' 5' ' ' LEU . . . 175.92 -127.07 1.2 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.665 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 9' ' ' PHE . . . . . 0.578 ' CE2' ' HA2' ' X' ' 12' ' ' GLY . 1.8 t80 -78.28 -30.8 48.68 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 10' ' ' GLY . . . . . 0.499 ' O ' HG12 ' X' ' 11' ' ' VAL . . . 61.1 60.79 7.78 Favored Glycine 0 CA--C 1.507 -0.446 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.518 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 11' ' ' VAL . . . . . 0.499 HG12 ' O ' ' X' ' 10' ' ' GLY . 2.1 p 51.95 40.1 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 122.412 1.101 . . . . 0.0 111.878 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 12' ' ' GLY . . . . . 0.578 ' HA2' ' CE2' ' X' ' 9' ' ' PHE . . . 93.73 -19.69 51.38 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.697 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' X' ' 9' ' ' PHE . 22.7 t 62.99 34.46 13.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.48 0.657 . . . . 0.0 110.275 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 47.3 m -155.74 22.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.492 HD12 HG22 ' X' ' 11' ' ' VAL . 57.4 mt -117.85 39.71 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.414 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 39.4 t -102.68 -62.9 1.21 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.476 -0.489 . . . . 0.0 109.989 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.43 75.7 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.2 89.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 19' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' X' ' 15' ' ' LEU . 67.3 t60 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.388 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.712 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 61.1 m -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.665 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 21' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 82.1 mt -61.02 -41.09 87.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.227 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.15 85.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.753 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' X' ' 24' ' ' ARG . 0.0 OUTLIER -72.34 -55.09 7.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.964 179.736 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 24' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' X' ' 23' ' ' ARG . 18.1 ptt-85 169.99 -29.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.616 0.573 . . . . 0.0 110.755 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.712 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 35.2 m-85 -57.24 154.41 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.398 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.425 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 56.4 ttm-85 -65.37 -41.88 93.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.586 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.58 -151.44 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.546 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.63 151.74 23.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.374 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -129.55 136.45 49.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.682 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.7 p -72.92 122.69 22.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -87.16 34.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.617 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 46.1 m 65.61 -38.22 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.29 28.61 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.48 19.94 3.44 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.6 -46.35 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.663 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 36' ' ' CYS . . . . . 0.682 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 48.2 t 70.7 130.61 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.711 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.1 136.7 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.13 -0.356 . . . . 0.0 111.201 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.97 150.85 42.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.201 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -146.21 147.64 31.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.404 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 40' ' ' ASN . . . . . 0.425 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 53.4 t-20 . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.645 0.259 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' X' ' 14' ' ' SER . 1.5 m 59.74 -136.64 0.74 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.752 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' X' ' 4' ' ' ASP . 1.0 OUTLIER -124.83 47.96 2.06 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 4' ' ' ASP . . . . . 0.625 ' HB2' ' HB1' ' X' ' 34' ' ' ALA . 1.8 m-20 77.03 127.55 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.094 -177.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' X' ' 5' ' ' LEU . 17.9 tp -156.07 86.03 1.03 Allowed 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.92 83.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.371 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 18.4 m -84.27 47.31 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.581 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 8' ' ' GLY . . . . . 0.453 ' HA3' ' CD2' ' X' ' 5' ' ' LEU . . . -167.34 -138.89 2.54 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.037 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 70.18 122.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.757 0.789 . . . . 0.0 110.61 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 10' ' ' GLY . . . . . 0.474 ' O ' ' HB ' ' X' ' 11' ' ' VAL . . . 168.47 58.28 0.03 OUTLIER Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.192 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 11' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' X' ' 10' ' ' GLY . 85.7 t 82.13 -39.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.494 0.718 . . . . 0.0 111.414 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.7 129.01 38.74 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.73 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 8.7 p -67.67 -43.8 79.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.918 0.39 . . . . 0.0 111.25 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 14' ' ' SER . . . . . 0.452 ' HA ' ' OG1' ' X' ' 2' ' ' THR . 12.5 t -126.87 61.15 1.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' X' ' 15' ' ' LEU . 12.1 mt -59.14 -31.93 69.4 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.887 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.4 t -59.24 -55.99 27.79 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.985 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.517 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -62.25 -46.07 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.08 88.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.279 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -65.61 -39.15 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 92.5 m -62.31 -43.08 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.174 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 21' ' ' ILE . . . . . 0.692 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 89.1 mt -60.4 -43.05 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.59 71.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.17 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' X' ' 23' ' ' ARG . 1.5 tpm_? -85.78 22.92 1.53 Allowed 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.511 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 66.93 49.88 1.12 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.692 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 97.7 m-85 -134.34 153.05 52.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.576 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 50.0 ttm-85 -68.61 -31.99 71.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.149 0.499 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.62 -147.97 7.06 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.2 131.71 2.91 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.954 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 29' ' ' TYR . . . . . 0.469 ' CZ ' ' HB ' ' X' ' 37' ' ' VAL . 52.8 p90 -92.91 135.58 34.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.96 0.409 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 57.9 m -84.6 106.51 16.22 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -71.28 162.32 29.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 18.8 t -66.48 -18.55 65.42 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.432 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.12 0.12 8.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.704 0.288 . . . . 0.0 110.266 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' X' ' 4' ' ' ASP . . . 59.04 36.61 24.35 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.702 0.763 . . . . 0.0 110.583 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 35' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' X' ' 36' ' ' CYS . 62.0 t -109.7 -35.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 53.5 t 70.0 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.754 0.659 . . . . 0.0 110.247 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CZ ' ' X' ' 29' ' ' TYR . 48.7 t -124.6 140.88 46.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 111.48 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.1 146.56 54.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -159.48 151.99 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 40' ' ' ASN . . . . . 0.576 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 73.4 m-20 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.954 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.894 0.378 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.434 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -63.18 -47.92 80.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.38 93.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.55 -41.16 84.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.173 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 93.0 m -66.34 -41.4 89.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.498 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' ILE . . . . . 0.493 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 73.9 mt -62.63 -45.32 99.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.967 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 45.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.269 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' X' ' 24' ' ' ARG . 11.2 ttp180 -154.05 -55.05 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.995 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 24' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' X' ' 23' ' ' ARG . 15.8 ptm180 178.91 -29.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.298 0.374 . . . . 0.0 111.044 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.705 ' HA ' ' HA ' ' X' ' 40' ' ' ASN . 8.8 m-85 -64.12 143.93 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.002 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.28 -39.89 94.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.85 -151.36 10.27 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.9 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' X' ' 38' ' ' CYS . . . -177.01 125.48 1.03 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.299 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -85.12 137.72 32.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . 0.769 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 78.6 m -85.93 100.73 12.3 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.51 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 31' ' ' ASN . . . . . 0.479 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.6 p-10 -72.18 156.98 38.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 10.8 p -70.53 45.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -147.88 16.48 1.1 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 52.23 31.73 9.66 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.937 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 35' ' ' VAL . . . . . 0.479 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 57.9 t -89.74 -25.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.0 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 36' ' ' CYS . . . . . 0.769 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 2.3 p 45.5 58.71 4.03 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.885 0.74 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 6.3 t -56.54 101.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.458 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 38' ' ' CYS . . . . . 0.491 ' HA ' ' CA ' ' X' ' 28' ' ' GLY . 88.0 m -77.83 162.63 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.264 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -146.3 138.23 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 40' ' ' ASN . . . . . 0.705 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 7.1 m120 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.636 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.74 -62.98 1.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.52 -53.61 54.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -69.09 -42.6 75.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.473 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.88 -41.72 95.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.9 mt -58.86 -41.51 83.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.081 0.467 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.039 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -81.37 32.13 0.34 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 60.73 47.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.575 ' HD1' ' HB2' ' X' ' 40' ' ' ASN . 67.2 m-85 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' X' ' 39' ' ' ARG . 0.0 OUTLIER -65.39 -30.53 71.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.06 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.27 -145.67 9.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.554 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' X' ' 38' ' ' CYS . . . -159.96 141.97 7.87 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.776 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -109.27 139.78 43.76 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . 0.622 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.3 p -69.19 127.27 32.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.212 0.529 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 31' ' ' ASN . . . . . 0.711 ' HB3' HG23 ' X' ' 37' ' ' VAL . 34.5 p-10 -89.29 35.33 0.81 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 32' ' ' SER . . . . . 0.451 ' C ' ' H ' ' X' ' 34' ' ' ALA . 23.7 t 69.27 -47.17 0.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.784 0.834 . . . . 0.0 113.167 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.51 23.65 0.09 Allowed 'General case' 0 N--CA 1.465 0.318 0 O-C-N 122.217 -0.302 . . . . 0.0 111.767 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 54.57 26.18 7.05 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.342 0.657 . . . . 0.0 112.126 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 35' ' ' VAL . . . . . 0.468 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 55.7 t -93.43 -40.45 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.173 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 43.9 t 70.93 124.46 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.741 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 37' ' ' VAL . . . . . 0.711 HG23 ' HB3' ' X' ' 31' ' ' ASN . 40.5 t -113.56 120.11 62.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 84.8 m -92.17 143.03 26.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.448 0.642 . . . . 0.0 111.862 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 39' ' ' ARG . . . . . 0.577 ' O ' ' HD2' ' X' ' 26' ' ' ARG . 10.1 ptp180 -145.53 157.71 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.281 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 40' ' ' ASN . . . . . 0.575 ' HB2' ' HD1' ' X' ' 25' ' ' TYR . 39.2 t30 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.047 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.418 ' O ' HG12 ' X' ' 21' ' ' ILE . . . -126.19 -45.07 1.71 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.32 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -64.19 -37.37 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.654 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 51.8 m -65.16 -33.65 76.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.645 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' ILE . . . . . 0.418 HG12 ' O ' ' X' ' 17' ' ' ALA . 49.5 mm -54.5 -45.55 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.051 0.453 . . . . 0.0 110.337 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.85 70.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.405 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' X' ' 24' ' ' ARG . 22.8 tpt180 -82.95 4.76 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 24' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' X' ' 23' ' ' ARG . 39.7 mmt180 73.19 41.58 0.48 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.405 0.682 . . . . 0.0 112.005 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.654 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 54.9 m-85 -131.89 138.02 48.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -60.3 -26.85 66.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.111 0.481 . . . . 0.0 111.279 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.32 -141.01 6.18 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . 0.781 ' HA2' ' HG3' ' X' ' 39' ' ' ARG . . . -172.43 -147.98 6.03 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.198 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -158.93 144.96 16.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 24.5 p -67.05 121.64 16.03 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.12 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 31' ' ' ASN . . . . . 0.857 ' HB3' HG23 ' X' ' 37' ' ' VAL . 30.6 p-10 -81.85 35.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.153 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 5.5 m 70.08 -46.94 0.61 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.993 0.917 . . . . 0.0 112.851 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -76.89 22.7 0.18 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.59 24.48 8.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.056 0.542 . . . . 0.0 112.123 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 35' ' ' VAL . . . . . 0.411 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 48.5 t -95.54 -39.94 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 36' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 47.6 t 70.04 129.45 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.719 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 37' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' X' ' 31' ' ' ASN . 21.1 t -114.15 129.67 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 76.4 m -71.97 152.09 42.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.195 0.521 . . . . 0.0 112.112 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 39' ' ' ARG . . . . . 0.781 ' HG3' ' HA2' ' X' ' 28' ' ' GLY . 0.0 OUTLIER -159.49 152.84 22.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.398 179.021 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 p30 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.924 179.641 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' X' ' 20' ' ' CYS . . . -85.12 -30.7 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.852 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.46 -33.19 72.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.924 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . 0.439 ' O ' ' HG3' ' X' ' 23' ' ' ARG . 9.4 t-160 -62.25 -37.39 85.24 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' X' ' 17' ' ' ALA . 79.9 m -62.79 -41.46 99.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.266 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' ILE . . . . . 0.705 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 46.6 mt -65.58 -44.53 93.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.111 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.84 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.858 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' ARG . . . . . 0.737 ' O ' ' HG2' ' X' ' 24' ' ' ARG . 99.6 mtt180 -57.54 -66.34 0.48 Allowed 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 24' ' ' ARG . . . . . 0.737 ' HG2' ' O ' ' X' ' 23' ' ' ARG . 16.7 mmt180 -177.46 -31.58 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.278 0.986 . . . . 0.0 109.859 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.705 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 63.1 m-85 -58.64 149.74 25.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.701 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.541 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 4.3 tpm_? -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.192 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . 0.637 ' HA2' HG12 ' X' ' 21' ' ' ILE . . . -179.61 -141.02 4.37 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.761 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.91 -164.11 29.67 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.902 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -166.07 143.31 5.34 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . 0.637 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 46.6 t -76.69 129.2 36.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.019 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 31' ' ' ASN . . . . . 0.447 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 18.0 p-10 -91.52 36.13 0.95 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.465 0.65 . . . . 0.0 110.155 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 75.5 m 57.66 46.07 18.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.407 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' X' ' 33' ' ' LYS . 0.7 OUTLIER -156.48 20.19 0.34 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.867 0.842 . . . . 0.0 108.837 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.22 32.51 13.51 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.183 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 35' ' ' VAL . . . . . 0.447 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 97.1 t -101.89 -43.41 9.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.021 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 36' ' ' CYS . . . . . 0.637 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 84.0 m 63.24 76.54 0.36 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.098 0.475 . . . . 0.0 110.011 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.72 127.3 16.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.002 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 70.5 m -80.64 137.66 36.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -162.09 145.54 11.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.966 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 40' ' ' ASN . . . . . 0.541 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 25.9 t-20 . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.639 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.69 38.11 0.82 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.236 0.541 . . . . 0.0 110.443 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.97 -49.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.391 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -59.31 -37.4 77.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.269 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 66.8 m -65.02 -46.93 79.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.136 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.32 -41.2 90.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.209 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.83 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.933 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' X' ' 23' ' ' ARG . 24.3 mmt180 -79.89 16.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.563 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -124.35 151.78 43.94 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -69.68 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.94 -154.72 7.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.168 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.06 143.34 8.09 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -116.67 141.38 48.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 111.265 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -76.41 105.91 7.74 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 31' ' ' ASN . . . . . 0.621 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 20.7 p-10 -84.98 39.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.253 0.549 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 32' ' ' SER . . . . . 0.435 ' C ' ' H ' ' X' ' 34' ' ' ALA . 49.1 m 65.49 -42.85 0.35 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -76.33 24.14 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.072 -0.392 . . . . 0.0 111.693 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 51.89 27.68 4.5 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.463 0.705 . . . . 0.0 111.991 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 35' ' ' VAL . . . . . 0.621 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 46.0 t -82.74 -32.73 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t 58.94 60.46 2.45 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -59.2 118.57 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.894 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -69.23 141.06 54.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.297 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -113.79 124.92 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.73 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.605 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.493 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -59.05 -42.63 90.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.6 97.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.704 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -65.35 -41.67 93.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.703 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 73.1 m -61.97 -34.37 76.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.888 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 74.2 mt -57.34 -42.2 79.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.63 78.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.338 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 23' ' ' ARG . . . . . 0.523 ' HE ' ' HA ' ' X' ' 23' ' ' ARG . 2.4 tpm_? -79.21 23.15 0.38 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.053 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 68.72 34.07 3.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 3.5 m-85 -109.72 149.75 29.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.28 -37.94 89.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.363 0.601 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.11 -150.62 15.92 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.226 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . 0.64 ' HA2' ' HA ' ' X' ' 38' ' ' CYS . . . -150.56 125.68 1.98 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . 0.494 ' HE1' ' OD1' ' X' ' 31' ' ' ASN . 17.6 p90 -97.01 141.93 29.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 0.0 110.053 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . 0.485 ' C ' ' H ' ' X' ' 32' ' ' SER . 88.6 m -96.3 120.98 37.58 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.04 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 31' ' ' ASN . . . . . 0.494 ' OD1' ' HE1' ' X' ' 29' ' ' TYR . 59.1 m-20 -77.35 30.87 0.15 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 32' ' ' SER . . . . . 0.485 ' H ' ' C ' ' X' ' 30' ' ' CYS . 17.5 t 71.07 -38.48 0.42 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.964 0.906 . . . . 0.0 111.45 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' X' ' 31' ' ' ASN . 0.9 OUTLIER -76.83 31.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.552 0.341 . . . . 0.0 111.679 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 51.02 30.26 5.23 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 111.737 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.96 -42.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t 55.79 65.03 1.56 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.187 0.518 . . . . 0.0 111.114 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.14 120.42 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.022 0.439 . . . . 0.0 110.691 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 38' ' ' CYS . . . . . 0.64 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 63.1 m -84.52 150.26 25.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.201 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 39' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' X' ' 39' ' ' ARG . 18.6 ptt-85 -142.08 128.48 20.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 40' ' ' ASN . . . . . 0.565 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 17.7 p30 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.038 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.93 82.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.065 0.46 . . . . 0.0 110.289 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.96 93.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.875 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.81 -39.2 90.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.25 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 68.5 m -61.91 -57.44 11.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.93 -35.92 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.82 -40.97 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 23' ' ' ARG . . . . . 0.675 HH11 ' HE1' ' X' ' 25' ' ' TYR . 44.1 ttt-85 -86.09 22.31 1.77 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 64.48 51.69 1.95 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.675 ' HE1' HH11 ' X' ' 23' ' ' ARG . 16.1 m-85 -120.94 145.91 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.442 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 6.1 mmp_? -67.54 -37.67 83.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.08 -150.7 6.21 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.393 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.42 165.47 34.23 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -144.24 142.03 30.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.113 0.483 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 72.1 m -78.26 110.7 13.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.118 0.485 . . . . 0.0 109.928 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 31' ' ' ASN . . . . . 0.755 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.0 p-10 -84.09 44.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.407 0.622 . . . . 0.0 111.235 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 32' ' ' SER . . . . . 0.404 ' C ' ' H ' ' X' ' 34' ' ' ALA . 15.9 m 66.31 -46.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.67 27.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.416 0.553 . . . . 0.0 112.335 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 53.81 19.6 1.97 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.207 0.603 . . . . 0.0 111.959 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 35' ' ' VAL . . . . . 0.755 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 85.9 t -73.18 -36.16 49.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 36' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 37.2 t 60.29 61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 109.932 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.6 123.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 97.1 m -78.64 150.76 32.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.721 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -132.72 133.34 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.091 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 40' ' ' ASN . . . . . 0.442 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 18.5 t-20 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.931 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.33 -37.34 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.119 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.49 95.78 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.723 0.296 . . . . 0.0 110.774 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' X' ' 23' ' ' ARG . 57.4 t-80 -61.44 -36.02 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.991 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 60.3 m -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' ILE . . . . . 0.659 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.7 mt -63.61 -44.71 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.393 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.77 87.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 23' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' X' ' 19' ' ' HIS . 0.3 OUTLIER -64.0 -59.3 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.444 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 174.78 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.546 0.529 . . . . 0.0 110.961 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 27.0 m-85 -61.84 150.75 36.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.066 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.756 ' HE ' ' HA ' ' X' ' 26' ' ' ARG . 2.7 tpm_? -64.89 -40.9 95.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.537 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.9 -144.64 4.15 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.896 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . 0.452 ' HA2' ' HG2' ' X' ' 39' ' ' ARG . . . 176.2 137.59 2.64 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . 0.457 ' CE1' ' CG1' ' X' ' 37' ' ' VAL . 5.3 p90 -110.54 156.56 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.819 0.342 . . . . 0.0 110.248 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 0.6 OUTLIER -72.12 110.06 6.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 31' ' ' ASN . . . . . 0.412 HD22 ' HB ' ' X' ' 37' ' ' VAL . 29.2 p30 -67.68 154.85 40.56 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -56.2 -29.04 60.38 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -6.03 11.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.426 0.155 . . . . 0.0 111.179 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 65.96 39.58 4.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.482 0.713 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 35' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' X' ' 36' ' ' CYS . 19.8 t -120.3 -17.36 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.306 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 36' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 65.6 m 77.1 143.71 0.08 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.631 0.582 . . . . 0.0 109.794 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 37' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' X' ' 29' ' ' TYR . 13.2 p -137.13 136.2 47.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.1 0.476 . . . . 0.0 110.575 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 61.1 m -79.98 144.96 32.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.778 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 39' ' ' ARG . . . . . 0.452 ' HG2' ' HA2' ' X' ' 28' ' ' GLY . 30.6 ptt180 -143.59 149.54 37.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.779 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 40' ' ' ASN . . . . . 0.567 ' HB3' ' HA ' ' X' ' 25' ' ' TYR . 9.1 p-10 . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.452 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.43 75.7 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.2 89.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.388 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.712 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 61.1 m -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.665 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 82.1 mt -61.02 -41.09 87.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.227 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.15 85.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.753 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 23' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' X' ' 24' ' ' ARG . 0.0 OUTLIER -72.34 -55.09 7.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.964 179.736 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 24' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' X' ' 23' ' ' ARG . 18.1 ptt-85 169.99 -29.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.616 0.573 . . . . 0.0 110.755 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.712 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 35.2 m-85 -57.24 154.41 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.398 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.425 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 56.4 ttm-85 -65.37 -41.88 93.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.586 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.58 -151.44 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.546 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.63 151.74 23.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.374 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -129.55 136.45 49.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . 0.682 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.7 p -72.92 122.69 22.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -87.16 34.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.617 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 46.1 m 65.61 -38.22 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.29 28.61 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.48 19.94 3.44 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.6 -46.35 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.663 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 36' ' ' CYS . . . . . 0.682 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 48.2 t 70.7 130.61 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.711 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.1 136.7 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.13 -0.356 . . . . 0.0 111.201 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.97 150.85 42.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.201 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -146.21 147.64 31.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.404 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 40' ' ' ASN . . . . . 0.425 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.452 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 C--O 1.227 -0.125 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.517 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -62.25 -46.07 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.08 88.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.279 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -65.61 -39.15 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 92.5 m -62.31 -43.08 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.174 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' ILE . . . . . 0.692 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 89.1 mt -60.4 -43.05 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.59 71.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.17 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 23' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' X' ' 23' ' ' ARG . 1.5 tpm_? -85.78 22.92 1.53 Allowed 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.511 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 66.93 49.88 1.12 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.692 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 97.7 m-85 -134.34 153.05 52.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.576 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 50.0 ttm-85 -68.61 -31.99 71.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.149 0.499 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.62 -147.97 7.06 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.2 131.71 2.91 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.954 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . 0.469 ' CZ ' ' HB ' ' X' ' 37' ' ' VAL . 52.8 p90 -92.91 135.58 34.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.96 0.409 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 57.9 m -84.6 106.51 16.22 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -71.28 162.32 29.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 18.8 t -66.48 -18.55 65.42 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.432 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.12 0.12 8.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.704 0.288 . . . . 0.0 110.266 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.04 36.61 24.35 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.702 0.763 . . . . 0.0 110.583 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 35' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' X' ' 36' ' ' CYS . 62.0 t -109.7 -35.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 53.5 t 70.0 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.754 0.659 . . . . 0.0 110.247 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CZ ' ' X' ' 29' ' ' TYR . 48.7 t -124.6 140.88 46.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 111.48 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.1 146.56 54.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -159.48 151.99 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 40' ' ' ASN . . . . . 0.576 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 73.4 m-20 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.954 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.425 0.155 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m 62.43 -127.93 0.65 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.323 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' X' ' 36' ' ' CYS . 93.1 m -111.87 26.29 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.085 -0.384 . . . . 0.0 110.712 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -77.92 130.6 36.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.68 -36.29 2.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.021 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 65.07 -120.02 0.4 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.462 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -69.92 -49.01 56.25 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.924 0.393 . . . . 0.0 110.166 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.97 146.53 4.43 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.199 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -167.79 -28.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.472 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.22 -130.22 2.29 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -114.84 147.36 18.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.41 -147.01 0.92 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.243 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 7.7 m -75.02 -38.31 61.53 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.698 -0.295 . . . . 0.0 111.215 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 21.1 m 66.14 8.7 5.71 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.861 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' X' ' 19' ' ' HIS . 95.6 mt -64.56 -38.24 90.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.963 0.411 . . . . 0.0 110.299 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.18 -49.25 78.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.267 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.434 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -63.18 -47.92 80.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.38 93.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' X' ' 15' ' ' LEU . 1.9 t-80 -58.55 -41.16 84.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.173 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 93.0 m -66.34 -41.4 89.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.498 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' ILE . . . . . 0.493 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 73.9 mt -62.63 -45.32 99.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.967 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 45.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.269 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' X' ' 24' ' ' ARG . 11.2 ttp180 -154.05 -55.05 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.995 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' X' ' 23' ' ' ARG . 15.8 ptm180 178.91 -29.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.298 0.374 . . . . 0.0 111.044 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.705 ' HA ' ' HA ' ' X' ' 40' ' ' ASN . 8.8 m-85 -64.12 143.93 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.002 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.28 -39.89 94.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.85 -151.36 10.27 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.9 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' X' ' 38' ' ' CYS . . . -177.01 125.48 1.03 Allowed Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.299 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -85.12 137.72 32.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.769 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 78.6 m -85.93 100.73 12.3 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.51 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 31' ' ' ASN . . . . . 0.479 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.6 p-10 -72.18 156.98 38.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 10.8 p -70.53 45.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -147.88 16.48 1.1 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 52.23 31.73 9.66 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.937 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 35' ' ' VAL . . . . . 0.479 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 57.9 t -89.74 -25.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.0 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 36' ' ' CYS . . . . . 0.769 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 2.3 p 45.5 58.71 4.03 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.885 0.74 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 6.3 t -56.54 101.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.458 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 38' ' ' CYS . . . . . 0.491 ' HA ' ' CA ' ' X' ' 28' ' ' GLY . 88.0 m -77.83 162.63 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.264 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -146.3 138.23 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 40' ' ' ASN . . . . . 0.705 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 7.1 m120 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.636 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' X' ' 7' ' ' SER . . . . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.91 0.386 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 2.8 m -56.96 113.93 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.52 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 93.6 m 60.58 42.11 14.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' X' ' 34' ' ' ALA . 34.1 t0 -144.22 130.34 19.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 44.8 46.49 8.77 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.37 0.668 . . . . 0.0 111.129 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.81 35.79 24.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.544 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' X' ' 1' ' ' ALA . 46.3 m 56.87 45.58 21.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.886 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.88 -145.14 3.55 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.958 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -91.77 -162.52 0.93 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.577 0.227 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.2 -53.58 0.58 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.235 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -173.68 123.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.116 0.484 . . . . 0.0 110.539 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.81 138.67 18.46 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' X' ' 16' ' ' CYS . 11.9 t -69.8 -60.41 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.897 0.349 . . . . 0.0 110.207 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 19.0 m 69.18 -47.81 0.58 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.625 0.77 . . . . 0.0 112.253 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' X' ' 19' ' ' HIS . 3.8 pp -72.22 -32.79 67.06 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . 0.405 ' HB2' ' OG ' ' X' ' 13' ' ' SER . 43.2 t -47.08 -34.31 5.78 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.885 0.741 . . . . 0.0 112.152 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.74 -62.98 1.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.52 -53.61 54.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . 0.449 ' CB ' ' HA ' ' X' ' 15' ' ' LEU . 8.2 t-160 -69.09 -42.6 75.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.473 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.88 -41.72 95.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.9 mt -58.86 -41.51 83.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.081 0.467 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.039 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -81.37 32.13 0.34 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 60.73 47.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.575 ' HD1' ' HB2' ' X' ' 40' ' ' ASN . 67.2 m-85 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' X' ' 39' ' ' ARG . 0.0 OUTLIER -65.39 -30.53 71.36 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.06 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.27 -145.67 9.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.554 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' X' ' 38' ' ' CYS . . . -159.96 141.97 7.87 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.776 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -109.27 139.78 43.76 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.622 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.3 p -69.19 127.27 32.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.212 0.529 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 31' ' ' ASN . . . . . 0.711 ' HB3' HG23 ' X' ' 37' ' ' VAL . 34.5 p-10 -89.29 35.33 0.81 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 32' ' ' SER . . . . . 0.451 ' C ' ' H ' ' X' ' 34' ' ' ALA . 23.7 t 69.27 -47.17 0.58 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.784 0.834 . . . . 0.0 113.167 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.51 23.65 0.09 Allowed 'General case' 0 N--CA 1.465 0.318 0 O-C-N 122.217 -0.302 . . . . 0.0 111.767 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.677 ' HB2' ' HB2' ' X' ' 4' ' ' ASP . . . 54.57 26.18 7.05 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.342 0.657 . . . . 0.0 112.126 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 35' ' ' VAL . . . . . 0.468 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 55.7 t -93.43 -40.45 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.173 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 43.9 t 70.93 124.46 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.741 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 37' ' ' VAL . . . . . 0.711 HG23 ' HB3' ' X' ' 31' ' ' ASN . 40.5 t -113.56 120.11 62.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 84.8 m -92.17 143.03 26.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.448 0.642 . . . . 0.0 111.862 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 39' ' ' ARG . . . . . 0.577 ' O ' ' HD2' ' X' ' 26' ' ' ARG . 10.1 ptp180 -145.53 157.71 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.281 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 40' ' ' ASN . . . . . 0.575 ' HB2' ' HD1' ' X' ' 25' ' ' TYR . 39.2 t30 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.047 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 121.079 0.466 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.671 ' OG1' ' HA ' ' X' ' 13' ' ' SER . 2.0 m -76.46 142.0 41.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.369 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 64.1 m -62.82 115.83 4.7 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -66.78 130.85 44.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.072 0.463 . . . . 0.0 111.238 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.637 HD23 ' H ' ' X' ' 5' ' ' LEU . 0.9 OUTLIER -94.48 -33.45 13.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.679 179.504 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.78 -50.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.047 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -157.19 -44.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.653 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.13 149.81 8.54 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.238 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -162.39 47.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.685 0.755 . . . . 0.0 109.018 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.31 159.71 14.53 Favored Glycine 0 N--CA 1.435 -1.4 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.87 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.11 -34.94 71.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 114.973 -0.614 . . . . 0.0 110.571 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.62 -121.22 0.77 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.104 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.671 ' HA ' ' OG1' ' X' ' 2' ' ' THR . 28.4 p -84.23 -0.76 53.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.805 0.336 . . . . 0.0 111.283 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m 63.01 43.64 6.46 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.938 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 1.007 ' HB3' ' HB2' ' X' ' 19' ' ' HIS . 95.5 mt 60.8 46.17 9.16 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.21 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.31 -24.28 60.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.98 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.418 ' O ' HG12 ' X' ' 21' ' ' ILE . . . -126.19 -45.07 1.71 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.32 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . 1.007 ' HB2' ' HB3' ' X' ' 15' ' ' LEU . 61.2 t-80 -64.19 -37.37 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.654 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 51.8 m -65.16 -33.65 76.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.645 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' ILE . . . . . 0.418 HG12 ' O ' ' X' ' 17' ' ' ALA . 49.5 mm -54.5 -45.55 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.051 0.453 . . . . 0.0 110.337 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.85 70.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.405 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' X' ' 24' ' ' ARG . 22.8 tpt180 -82.95 4.76 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' X' ' 23' ' ' ARG . 39.7 mmt180 73.19 41.58 0.48 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.405 0.682 . . . . 0.0 112.005 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.654 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 54.9 m-85 -131.89 138.02 48.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -60.3 -26.85 66.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.111 0.481 . . . . 0.0 111.279 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.32 -141.01 6.18 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . 0.781 ' HA2' ' HG3' ' X' ' 39' ' ' ARG . . . -172.43 -147.98 6.03 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.198 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -158.93 144.96 16.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 24.5 p -67.05 121.64 16.03 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.12 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 31' ' ' ASN . . . . . 0.857 ' HB3' HG23 ' X' ' 37' ' ' VAL . 30.6 p-10 -81.85 35.75 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.153 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 5.5 m 70.08 -46.94 0.61 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.993 0.917 . . . . 0.0 112.851 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -76.89 22.7 0.18 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.59 24.48 8.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.056 0.542 . . . . 0.0 112.123 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 35' ' ' VAL . . . . . 0.411 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 48.5 t -95.54 -39.94 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 36' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 47.6 t 70.04 129.45 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.719 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 37' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' X' ' 31' ' ' ASN . 21.1 t -114.15 129.67 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 76.4 m -71.97 152.09 42.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.195 0.521 . . . . 0.0 112.112 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 39' ' ' ARG . . . . . 0.781 ' HG3' ' HA2' ' X' ' 28' ' ' GLY . 0.0 OUTLIER -159.49 152.84 22.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.398 179.021 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 p30 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.924 179.641 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.572 ' OG1' ' HB2' ' X' ' 13' ' ' SER . 7.5 m -59.35 -55.8 30.15 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.528 0.68 . . . . 0.0 110.636 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' X' ' 2' ' ' THR . 7.6 t 176.83 -142.04 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.659 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -71.36 126.75 30.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 92.8 mt -116.03 45.13 1.8 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.571 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.44 90.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.125 0.488 . . . . 0.0 110.381 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 28.4 p -82.22 -41.91 19.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.9 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.99 129.23 1.37 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.989 -0.625 . . . . 0.0 111.732 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.61 44.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.025 0.441 . . . . 0.0 111.639 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.56 -44.28 1.21 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.645 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t 63.92 49.6 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.936 0.874 . . . . 0.0 109.803 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.92 122.76 0.8 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.888 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.572 ' HB2' ' OG1' ' X' ' 2' ' ' THR . 20.6 t -105.81 -29.82 9.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.673 0.273 . . . . 0.0 110.439 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . 0.456 ' HB3' HD23 ' X' ' 15' ' ' LEU . 12.8 t 75.56 -42.94 0.48 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.051 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.668 ' HB2' ' HB3' ' X' ' 18' ' ' ALA . 1.4 pt? -164.19 60.02 0.15 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . 0.408 ' HB2' ' OG ' ' X' ' 13' ' ' SER . 5.4 t -61.91 -59.64 4.82 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 110.092 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' X' ' 20' ' ' CYS . . . -85.12 -30.7 23.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.852 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.668 ' HB3' ' HB2' ' X' ' 15' ' ' LEU . . . -60.46 -33.19 72.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.924 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' X' ' 15' ' ' LEU . 9.4 t-160 -62.25 -37.39 85.24 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' X' ' 17' ' ' ALA . 79.9 m -62.79 -41.46 99.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.266 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' ILE . . . . . 0.705 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 46.6 mt -65.58 -44.53 93.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.111 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.84 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.858 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.737 ' O ' ' HG2' ' X' ' 24' ' ' ARG . 99.6 mtt180 -57.54 -66.34 0.48 Allowed 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' ARG . . . . . 0.737 ' HG2' ' O ' ' X' ' 23' ' ' ARG . 16.7 mmt180 -177.46 -31.58 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.278 0.986 . . . . 0.0 109.859 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.705 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 63.1 m-85 -58.64 149.74 25.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.701 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.541 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 4.3 tpm_? -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.192 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . 0.637 ' HA2' HG12 ' X' ' 21' ' ' ILE . . . -179.61 -141.02 4.37 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.761 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.91 -164.11 29.67 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.902 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -166.07 143.31 5.34 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.637 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 46.6 t -76.69 129.2 36.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.019 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 31' ' ' ASN . . . . . 0.447 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 18.0 p-10 -91.52 36.13 0.95 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.465 0.65 . . . . 0.0 110.155 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 75.5 m 57.66 46.07 18.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.407 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' X' ' 33' ' ' LYS . 0.7 OUTLIER -156.48 20.19 0.34 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.867 0.842 . . . . 0.0 108.837 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.22 32.51 13.51 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.183 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 35' ' ' VAL . . . . . 0.447 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 97.1 t -101.89 -43.41 9.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.021 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 36' ' ' CYS . . . . . 0.637 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 84.0 m 63.24 76.54 0.36 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.098 0.475 . . . . 0.0 110.011 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.72 127.3 16.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.002 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 70.5 m -80.64 137.66 36.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -162.09 145.54 11.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.966 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 40' ' ' ASN . . . . . 0.541 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 25.9 t-20 . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.639 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . 0.499 ' HA ' ' OG ' ' X' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.485 0.183 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -57.24 10.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.159 0.504 . . . . 0.0 111.578 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 63.4 m -150.46 54.15 0.9 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.359 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' X' ' 34' ' ' ALA . 60.8 m-20 68.7 119.88 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.877 0.736 . . . . 0.0 111.299 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.98 -43.39 35.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.788 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.5 33.47 23.14 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.834 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t 179.49 -55.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.264 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.77 -160.43 32.37 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.745 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -82.07 42.91 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.364 0.602 . . . . 0.0 111.306 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.04 33.28 4.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.723 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -177.01 146.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.92 101.53 0.49 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.266 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' X' ' 1' ' ' ALA . 14.3 t -80.4 53.77 1.88 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.929 0.395 . . . . 0.0 111.195 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -176.07 -35.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.162 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -83.3 24.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 38.4 t -63.87 -57.42 9.88 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.69 38.11 0.82 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.236 0.541 . . . . 0.0 110.443 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.97 -49.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.391 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -59.31 -37.4 77.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.269 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 66.8 m -65.02 -46.93 79.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.136 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.32 -41.2 90.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.209 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.83 96.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.933 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' X' ' 23' ' ' ARG . 24.3 mmt180 -79.89 16.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.563 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -124.35 151.78 43.94 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -69.68 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.94 -154.72 7.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.168 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.06 143.34 8.09 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -116.67 141.38 48.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 111.265 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -76.41 105.91 7.74 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 31' ' ' ASN . . . . . 0.621 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 20.7 p-10 -84.98 39.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.253 0.549 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 32' ' ' SER . . . . . 0.435 ' C ' ' H ' ' X' ' 34' ' ' ALA . 49.1 m 65.49 -42.85 0.35 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -76.33 24.14 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.072 -0.392 . . . . 0.0 111.693 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' X' ' 4' ' ' ASP . . . 51.89 27.68 4.5 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.463 0.705 . . . . 0.0 111.991 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 35' ' ' VAL . . . . . 0.621 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 46.0 t -82.74 -32.73 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t 58.94 60.46 2.45 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -59.2 118.57 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.894 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -69.23 141.06 54.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.297 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -113.79 124.92 53.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.73 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 40' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.605 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.49 ' HA ' ' HB2' ' X' ' 13' ' ' SER . 89.7 m 72.22 141.33 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 122.704 0.402 . . . . 0.0 111.353 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' X' ' 34' ' ' ALA . 68.1 m 73.72 144.17 0.07 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.083 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.29 144.37 46.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.563 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.677 HD11 ' HA3' ' X' ' 8' ' ' GLY . 1.8 pt? -137.42 -31.28 0.81 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.422 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 71.17 128.7 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.019 0.824 . . . . 0.0 110.822 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t 64.34 49.96 2.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.762 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . 0.677 ' HA3' HD11 ' X' ' 5' ' ' LEU . . . -161.72 -119.2 0.5 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.489 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . 0.546 ' HB3' ' HA3' ' X' ' 12' ' ' GLY . 57.0 m-85 -75.1 -26.82 59.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.931 0.396 . . . . 0.0 111.126 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.2 -96.42 1.22 Allowed Glycine 0 N--CA 1.44 -1.048 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -105.86 30.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 122.353 1.073 . . . . 0.0 109.203 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . 0.546 ' HA3' ' HB3' ' X' ' 9' ' ' PHE . . . -72.73 114.47 4.86 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.504 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' X' ' 2' ' ' THR . 25.4 t -173.93 110.53 0.16 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 4.8 p -61.29 -54.35 45.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.44 ' HB2' ' HB2' ' X' ' 19' ' ' HIS . 0.8 OUTLIER -173.62 128.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.116 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.13 -89.44 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.243 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.493 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -59.05 -42.63 90.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.6 97.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.704 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . 0.44 ' HB2' ' HB2' ' X' ' 15' ' ' LEU . 18.7 t-160 -65.35 -41.67 93.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.703 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 73.1 m -61.97 -34.37 76.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.888 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 74.2 mt -57.34 -42.2 79.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.63 78.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.338 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.523 ' HE ' ' HA ' ' X' ' 23' ' ' ARG . 2.4 tpm_? -79.21 23.15 0.38 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.053 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 68.72 34.07 3.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 3.5 m-85 -109.72 149.75 29.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.28 -37.94 89.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.363 0.601 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.11 -150.62 15.92 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.226 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . 0.64 ' HA2' ' HA ' ' X' ' 38' ' ' CYS . . . -150.56 125.68 1.98 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . 0.494 ' HE1' ' OD1' ' X' ' 31' ' ' ASN . 17.6 p90 -97.01 141.93 29.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 0.0 110.053 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.485 ' C ' ' H ' ' X' ' 32' ' ' SER . 88.6 m -96.3 120.98 37.58 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.04 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 31' ' ' ASN . . . . . 0.494 ' OD1' ' HE1' ' X' ' 29' ' ' TYR . 59.1 m-20 -77.35 30.87 0.15 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 32' ' ' SER . . . . . 0.485 ' H ' ' C ' ' X' ' 30' ' ' CYS . 17.5 t 71.07 -38.48 0.42 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.964 0.906 . . . . 0.0 111.45 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' X' ' 31' ' ' ASN . 0.9 OUTLIER -76.83 31.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.552 0.341 . . . . 0.0 111.679 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.494 ' HA ' ' SG ' ' X' ' 3' ' ' CYS . . . 51.02 30.26 5.23 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 111.737 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.96 -42.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 36' ' ' CYS . . . . . 0.411 ' HB2' ' SG ' ' X' ' 3' ' ' CYS . 42.3 t 55.79 65.03 1.56 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.187 0.518 . . . . 0.0 111.114 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.14 120.42 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.022 0.439 . . . . 0.0 110.691 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 38' ' ' CYS . . . . . 0.64 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 63.1 m -84.52 150.26 25.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.201 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 39' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' X' ' 39' ' ' ARG . 18.6 ptt-85 -142.08 128.48 20.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.978 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 40' ' ' ASN . . . . . 0.565 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 17.7 p30 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.038 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . 0.55 ' HB1' ' O ' ' X' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' X' ' 13' ' ' SER . 12.5 p -66.3 126.18 27.93 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 38.7 m -61.58 123.36 17.67 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 44.9 p-10 -63.04 144.45 56.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.674 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.623 HD23 ' H ' ' X' ' 5' ' ' LEU . 1.6 pt? -112.43 18.51 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.618 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.75 39.39 29.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.005 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 42.5 m -159.21 -35.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.734 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.2 -164.31 50.36 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.31 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -170.93 -36.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.007 0.432 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 -135.09 4.36 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.28 127.03 40.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.159 0.504 . . . . 0.0 110.288 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.1 40.48 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.931 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.55 ' O ' ' HB1' ' X' ' 1' ' ' ALA . 50.0 m -81.69 -38.55 25.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.828 0.346 . . . . 0.0 110.468 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -85.66 -178.75 6.73 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.806 0.336 . . . . 0.0 110.576 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mp 64.58 49.42 2.37 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.586 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 t -106.48 -94.34 0.37 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.84 -37.93 82.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.065 0.46 . . . . 0.0 110.289 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.96 93.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.875 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.81 -39.2 90.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.25 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' X' ' 25' ' ' TYR . 68.5 m -61.91 -57.44 11.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.93 -35.92 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.82 -40.97 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.675 HH11 ' HE1' ' X' ' 25' ' ' TYR . 44.1 ttt-85 -86.09 22.31 1.77 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 64.48 51.69 1.95 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.675 ' HE1' HH11 ' X' ' 23' ' ' ARG . 16.1 m-85 -120.94 145.91 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.442 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 6.1 mmp_? -67.54 -37.67 83.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.08 -150.7 6.21 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.393 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.42 165.47 34.23 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -144.24 142.03 30.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.113 0.483 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 72.1 m -78.26 110.7 13.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.118 0.485 . . . . 0.0 109.928 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 31' ' ' ASN . . . . . 0.755 ' OD1' ' HB ' ' X' ' 35' ' ' VAL . 17.0 p-10 -84.09 44.35 1.0 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.407 0.622 . . . . 0.0 111.235 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 32' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' X' ' 5' ' ' LEU . 15.9 m 66.31 -46.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.67 27.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.416 0.553 . . . . 0.0 112.335 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' X' ' 32' ' ' SER . . . 53.81 19.6 1.97 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.207 0.603 . . . . 0.0 111.959 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 35' ' ' VAL . . . . . 0.755 ' HB ' ' OD1' ' X' ' 31' ' ' ASN . 85.9 t -73.18 -36.16 49.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 36' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 37.2 t 60.29 61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 109.932 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 56.6 t -61.6 123.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 97.1 m -78.64 150.76 32.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.721 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -132.72 133.34 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.091 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 40' ' ' ASN . . . . . 0.442 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 18.5 t-20 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.931 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.785 HG23 ' HB2' ' X' ' 13' ' ' SER . 15.4 p -76.91 -108.02 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 111.41 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 55.6 m -75.52 75.7 2.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.578 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . 0.689 ' HA ' ' O ' ' X' ' 8' ' ' GLY . 12.6 p-10 -60.96 121.36 12.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.548 0.69 . . . . 0.0 111.297 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.634 HD23 ' H ' ' X' ' 5' ' ' LEU . 0.6 OUTLIER -81.68 -37.69 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.137 -179.404 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -143.22 -47.16 0.3 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.718 0.294 . . . . 0.0 111.314 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 11.9 p -158.12 33.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.248 0.547 . . . . 0.0 110.547 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . 0.689 ' O ' ' HA ' ' X' ' 4' ' ' ASP . . . 155.44 -158.89 28.79 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.44 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -136.07 -37.92 0.71 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.229 0.538 . . . . 0.0 109.862 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.58 -59.12 0.31 Allowed Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.691 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -171.13 136.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.772 0.32 . . . . 0.0 110.28 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.14 -127.73 21.73 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.332 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.785 ' HB2' HG23 ' X' ' 2' ' ' THR . 78.8 p 50.33 51.13 17.38 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.25 0.62 . . . . 0.0 111.627 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 43.6 m -74.09 -38.94 63.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.348 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.728 ' H ' HD23 ' X' ' 15' ' ' LEU . 2.1 pt? -87.11 129.02 35.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.123 0.487 . . . . 0.0 111.386 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . 0.692 ' HB2' HG22 ' X' ' 2' ' ' THR . 50.5 t -155.17 -47.29 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.072 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.33 -37.34 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.119 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.49 95.78 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.723 0.296 . . . . 0.0 110.774 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' X' ' 23' ' ' ARG . 57.4 t-80 -61.44 -36.02 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.991 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 60.3 m -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' ILE . . . . . 0.659 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 58.7 mt -63.61 -44.71 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.393 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.77 87.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' X' ' 19' ' ' HIS . 0.3 OUTLIER -64.0 -59.3 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.444 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 174.78 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.546 0.529 . . . . 0.0 110.961 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 27.0 m-85 -61.84 150.75 36.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.066 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.756 ' HE ' ' HA ' ' X' ' 26' ' ' ARG . 2.7 tpm_? -64.89 -40.9 95.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.537 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.9 -144.64 4.15 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.896 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . 0.452 ' HA2' ' HG2' ' X' ' 39' ' ' ARG . . . 176.2 137.59 2.64 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . 0.457 ' CE1' ' CG1' ' X' ' 37' ' ' VAL . 5.3 p90 -110.54 156.56 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.819 0.342 . . . . 0.0 110.248 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 0.6 OUTLIER -72.12 110.06 6.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 31' ' ' ASN . . . . . 0.412 HD22 ' HB ' ' X' ' 37' ' ' VAL . 29.2 p30 -67.68 154.85 40.56 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -56.2 -29.04 60.38 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -6.03 11.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.426 0.155 . . . . 0.0 111.179 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 65.96 39.58 4.45 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.482 0.713 . . . . 0.0 110.771 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 35' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' X' ' 36' ' ' CYS . 19.8 t -120.3 -17.36 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.306 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 36' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 65.6 m 77.1 143.71 0.08 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.631 0.582 . . . . 0.0 109.794 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 37' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' X' ' 29' ' ' TYR . 13.2 p -137.13 136.2 47.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.1 0.476 . . . . 0.0 110.575 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 61.1 m -79.98 144.96 32.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.778 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 39' ' ' ARG . . . . . 0.452 ' HG2' ' HA2' ' X' ' 28' ' ' GLY . 30.6 ptt180 -143.59 149.54 37.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.779 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 40' ' ' ASN . . . . . 0.567 ' HB3' ' HA ' ' X' ' 25' ' ' TYR . 9.1 p-10 . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.452 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m 65.03 107.6 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.845 0.716 . . . . 0.0 109.704 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.586 ' O ' ' HB2' ' X' ' 4' ' ' ASP . 67.9 m 66.36 92.5 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.939 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . 0.586 ' HB2' ' O ' ' X' ' 3' ' ' CYS . 0.8 OUTLIER 82.75 135.14 0.06 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.868 -177.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' X' ' 8' ' ' GLY . 3.0 mm? -85.29 -44.51 12.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.457 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.27 -101.71 0.14 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.966 -1.016 . . . . 0.0 112.189 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 13.4 p -53.81 -46.36 71.08 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' X' ' 5' ' ' LEU . . . 175.92 -127.07 1.2 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.665 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . 0.578 ' CE2' ' HA2' ' X' ' 12' ' ' GLY . 1.8 t80 -78.28 -30.8 48.68 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . 0.499 ' O ' HG12 ' X' ' 11' ' ' VAL . . . 61.1 60.79 7.78 Favored Glycine 0 CA--C 1.507 -0.446 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.518 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . 0.499 HG12 ' O ' ' X' ' 10' ' ' GLY . 2.1 p 51.95 40.1 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 122.412 1.101 . . . . 0.0 111.878 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . 0.578 ' HA2' ' CE2' ' X' ' 9' ' ' PHE . . . 93.73 -19.69 51.38 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.697 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' X' ' 9' ' ' PHE . 22.7 t 62.99 34.46 13.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.48 0.657 . . . . 0.0 110.275 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 47.3 m -155.74 22.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.492 HD12 HG22 ' X' ' 11' ' ' VAL . 57.4 mt -117.85 39.71 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.414 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 39.4 t -102.68 -62.9 1.21 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.476 -0.489 . . . . 0.0 109.989 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.43 75.7 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.2 89.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' X' ' 15' ' ' LEU . 67.3 t60 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.388 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.712 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 61.1 m -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.665 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 82.1 mt -61.02 -41.09 87.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.227 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.15 85.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.753 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' X' ' 24' ' ' ARG . 0.0 OUTLIER -72.34 -55.09 7.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.964 179.736 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' X' ' 23' ' ' ARG . 18.1 ptt-85 169.99 -29.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.616 0.573 . . . . 0.0 110.755 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.712 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 35.2 m-85 -57.24 154.41 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.398 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.425 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 56.4 ttm-85 -65.37 -41.88 93.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.586 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.58 -151.44 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.546 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.63 151.74 23.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.374 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -129.55 136.45 49.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.682 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 27.7 p -72.92 122.69 22.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -87.16 34.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.617 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 46.1 m 65.61 -38.22 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.29 28.61 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.48 19.94 3.44 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 35' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.6 -46.35 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.663 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 36' ' ' CYS . . . . . 0.682 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 48.2 t 70.7 130.61 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.711 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.1 136.7 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.13 -0.356 . . . . 0.0 111.201 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.97 150.85 42.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.201 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -146.21 147.64 31.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.404 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 40' ' ' ASN . . . . . 0.425 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.354 -0.831 . . . . 0.0 109.452 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.645 0.259 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' X' ' 14' ' ' SER . 1.5 m 59.74 -136.64 0.74 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.752 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' X' ' 4' ' ' ASP . 1.0 OUTLIER -124.83 47.96 2.06 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . 0.625 ' HB2' ' HB1' ' X' ' 34' ' ' ALA . 1.8 m-20 77.03 127.55 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.094 -177.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' X' ' 5' ' ' LEU . 17.9 tp -156.07 86.03 1.03 Allowed 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.92 83.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.371 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 18.4 m -84.27 47.31 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.581 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . 0.453 ' HA3' ' CD2' ' X' ' 5' ' ' LEU . . . -167.34 -138.89 2.54 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.037 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 70.18 122.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.757 0.789 . . . . 0.0 110.61 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . 0.474 ' O ' ' HB ' ' X' ' 11' ' ' VAL . . . 168.47 58.28 0.03 OUTLIER Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.192 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' X' ' 10' ' ' GLY . 85.7 t 82.13 -39.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.494 0.718 . . . . 0.0 111.414 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.7 129.01 38.74 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.73 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 8.7 p -67.67 -43.8 79.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.918 0.39 . . . . 0.0 111.25 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . 0.452 ' HA ' ' OG1' ' X' ' 2' ' ' THR . 12.5 t -126.87 61.15 1.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' X' ' 15' ' ' LEU . 12.1 mt -59.14 -31.93 69.4 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.887 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 53.4 t -59.24 -55.99 27.79 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.985 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.517 ' O ' HG13 ' X' ' 21' ' ' ILE . . . -62.25 -46.07 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.08 88.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.279 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -65.61 -39.15 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 92.5 m -62.31 -43.08 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.174 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' ILE . . . . . 0.692 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 89.1 mt -60.4 -43.05 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.59 71.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.17 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' X' ' 23' ' ' ARG . 1.5 tpm_? -85.78 22.92 1.53 Allowed 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.511 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 66.93 49.88 1.12 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.692 ' O ' ' HA ' ' X' ' 21' ' ' ILE . 97.7 m-85 -134.34 153.05 52.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.576 ' H ' ' HA ' ' X' ' 40' ' ' ASN . 50.0 ttm-85 -68.61 -31.99 71.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.149 0.499 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.62 -147.97 7.06 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.2 131.71 2.91 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.954 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . 0.469 ' CZ ' ' HB ' ' X' ' 37' ' ' VAL . 52.8 p90 -92.91 135.58 34.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.96 0.409 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' X' ' 36' ' ' CYS . 57.9 m -84.6 106.51 16.22 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -71.28 162.32 29.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 32' ' ' SER . . . . . . . . . . . . . 18.8 t -66.48 -18.55 65.42 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.432 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.12 0.12 8.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.704 0.288 . . . . 0.0 110.266 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' X' ' 4' ' ' ASP . . . 59.04 36.61 24.35 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.702 0.763 . . . . 0.0 110.583 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 35' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' X' ' 36' ' ' CYS . 62.0 t -109.7 -35.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' X' ' 30' ' ' CYS . 53.5 t 70.0 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.754 0.659 . . . . 0.0 110.247 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CZ ' ' X' ' 29' ' ' TYR . 48.7 t -124.6 140.88 46.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 111.48 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 38' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.1 146.56 54.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -159.48 151.99 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 40' ' ' ASN . . . . . 0.576 ' HA ' ' H ' ' X' ' 26' ' ' ARG . 73.4 m-20 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.954 178.73 . . . . . . . . 1 1 . 1 stop_ save_