data_5nhq_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 5nhq _Structure_validation_residue.Date_analyzed 2017-04-21 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.668 0.27 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.79 -51.4 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.589 0.233 . . . . 0.0 110.638 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.5 tp -70.19 123.33 21.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.409 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -133.33 73.47 1.52 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.186 0.517 . . . . 0.0 110.645 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 47.7 mt-30 -71.49 104.96 3.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.947 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -63.2 -23.35 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 0.0 110.461 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.1 p -63.06 -27.91 69.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.003 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 10.3 ptm180 -75.43 -28.47 59.37 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.951 -175.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -93.08 -24.51 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 14' ' ' VAL . . . -68.13 -23.25 64.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.605 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.7 t -79.35 -17.66 54.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.449 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -103.43 -67.5 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -97.07 -15.49 20.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.777 -176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 41.3 t 71.09 -67.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.104 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.8 m 57.83 82.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.475 0.655 . . . . 0.0 111.717 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -87.12 50.97 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.932 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.7 m -64.97 -69.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.213 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -112.36 -8.54 13.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.497 0.665 . . . . 0.0 109.234 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.7 m -70.72 84.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.913 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.51 56.52 3.6 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.638 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -125.07 -25.91 3.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.655 -0.32 . . . . 0.0 111.647 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' O ' ' HD2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -74.39 -45.6 45.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.773 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 86.7 tttt -119.65 -33.68 3.97 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.811 -176.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' O ' HG12 ' A' ' 28' ' ' ILE . 31.9 tpt180 -68.72 -31.19 70.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.687 0.279 . . . . 0.0 111.144 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.65 70.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 25.1 pt20 -62.02 -28.33 69.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.686 0.279 . . . . 0.0 110.823 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -98.58 -18.48 18.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.907 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 24' ' ' ARG . 47.6 mm -63.52 -32.4 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.576 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -59.26 -51.15 71.2 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.543 174.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.524 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 2.1 mp -64.92 -42.42 94.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.292 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.76 -37.57 71.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.552 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.09 -43.79 90.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.823 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 49.9 mt -62.11 -58.93 5.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.637 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 11.5 pt-20 -62.21 -27.81 69.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.961 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.04 -45.12 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.344 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.51 -35.57 78.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.05 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mp -72.3 -53.32 12.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.49 -38.97 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.861 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.11 -33.69 74.93 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.171 0.51 . . . . 0.0 110.335 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.7 t -72.34 -32.62 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.238 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -72.42 -47.69 47.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.582 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.07 -153.11 14.73 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.968 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -83.24 150.45 26.18 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.919 0.39 . . . . 0.0 110.999 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.78 -8.14 14.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.262 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.0 m -112.15 87.68 2.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.178 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.6 m -81.44 82.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.07 0.938 . . . . 0.0 110.897 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -127.43 110.0 12.33 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.001 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.78 38.92 3.02 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.86 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -80.65 121.14 25.48 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -83.26 171.95 13.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.835 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 61.71 -175.33 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.626 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -78.06 -73.18 0.33 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.259 0.552 . . . . 0.0 109.684 174.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.15 17.13 1.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.773 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -178.39 145.1 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.321 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.6 m -83.86 -22.24 31.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.141 0.496 . . . . 0.0 111.476 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.436 ' HA2' ' HB3' ' A' ' 59' ' ' GLU . . . 73.45 38.86 51.89 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.574 -0.739 . . . . 0.0 113.947 169.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.92 -76.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.121 0.46 . . . . 0.0 111.012 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 t -80.0 1.11 28.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.318 0.58 . . . . 0.0 110.937 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HB3' ' HA2' ' A' ' 56' ' ' GLY . 46.1 tt0 -78.95 87.32 4.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.128 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -111.84 51.06 0.81 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.787 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.4 m -96.89 96.85 8.82 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.609 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -86.91 48.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.089 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -80.0 -52.35 7.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.053 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 53.56 52.2 13.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.418 0.628 . . . . 0.0 111.073 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.6 mt -139.71 154.15 70.78 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.766 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.09 57.48 3.98 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.889 2.393 . . . . 0.0 111.661 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -70.84 122.19 86.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.41 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.15 96.28 0.46 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.577 2.185 . . . . 0.0 111.432 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -77.25 -67.87 0.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.035 0.445 . . . . 0.0 110.642 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.76 -36.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.724 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.357 -179.501 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 120.859 0.361 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -173.54 -37.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.877 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tt 52.73 71.82 0.46 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.231 0.539 . . . . 0.0 110.084 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -128.04 30.55 5.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.303 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.7 -46.03 74.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.526 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 tp -97.58 -25.56 15.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.061 0.457 . . . . 0.0 110.168 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.4 m -65.23 -37.6 87.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.194 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -64.23 -22.96 67.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.579 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -80.88 -19.41 44.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.975 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.13 -53.85 3.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.082 0.468 . . . . 0.0 110.446 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -87.54 54.15 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.735 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 p -97.4 -50.86 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.91 5.21 32.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.583 0.23 . . . . 0.0 111.205 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -64.25 -17.35 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 111.336 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -132.73 21.65 4.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -125.28 -0.66 7.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.482 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -158.12 -173.6 4.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.548 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 66.4 m95 -82.27 57.64 3.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.289 0.566 . . . . 0.0 110.27 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -95.24 -68.33 0.81 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -40.93 64.58 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.767 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -73.21 5.54 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.227 0.537 . . . . 0.0 111.097 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -85.8 12.96 7.98 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 172.732 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 69.84 32.53 3.14 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.024 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -86.93 -26.14 24.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.538 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -16.97 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.437 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -66.77 -18.98 65.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.598 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -108.1 2.14 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.0 mt -111.35 -19.59 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 17.2 tp -47.38 -56.79 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.743 -175.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.515 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 50.5 mm -63.35 -41.46 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 0.0 110.537 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.55 -36.99 82.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.228 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.04 -42.82 96.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.083 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 52.1 mt -57.7 -54.33 48.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.386 0.612 . . . . 0.0 109.938 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 30' ' ' ILE . 28.3 mt-10 -59.36 -37.14 77.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.864 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.22 -48.06 79.75 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.904 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 mp -57.56 -30.92 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.08 0.467 . . . . 0.0 111.276 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.41 -46.82 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.317 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -73.56 -37.72 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -69.97 -25.56 63.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.641 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.1 t 59.03 65.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.224 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.85 139.37 58.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.36 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.7 -173.88 14.05 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.23 -177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.88 -30.22 40.14 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.6 t70 70.28 -71.6 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 124.308 1.005 . . . . 0.0 110.808 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.31 -166.24 1.24 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.088 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.83 -45.53 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.023 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 54.33 97.94 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.805 0.69 . . . . 0.0 111.677 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.55 54.22 2.85 Favored Glycine 0 N--CA 1.454 -0.131 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.56 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -156.78 101.84 1.99 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -175.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -65.8 156.41 33.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.232 0.539 . . . . 0.0 110.828 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -128.04 -64.33 0.96 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.579 -171.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -93.54 -10.05 36.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 0.0 110.464 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 57.07 38.03 28.96 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.133 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -150.49 -60.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m 67.97 113.66 0.04 OUTLIER 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.999 0.812 . . . . 0.0 112.383 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.95 118.28 4.65 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.27 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.78 -71.56 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.047 0.451 . . . . 0.0 110.388 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 m -77.87 -16.5 58.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.224 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.77 136.64 41.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.218 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 58.27 57.6 3.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.629 0.581 . . . . 0.0 111.04 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.7 m -83.47 127.09 33.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.05 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -78.91 139.15 38.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.9 t 64.84 -164.75 0.24 Allowed 'General case' 0 C--O 1.236 0.369 0 O-C-N 123.605 0.566 . . . . 0.0 110.006 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 60.44 48.35 7.82 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.563 0.697 . . . . 0.0 110.639 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.498 ' H ' HD21 ' A' ' 65' ' ' LEU . 2.2 pt? -131.31 148.32 69.69 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.628 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.09 84.2 1.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.698 2.266 . . . . 0.0 112.605 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' HG2' ' HG ' ' A' ' 65' ' ' LEU . 21.9 mm-40 -88.06 122.89 69.68 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.288 175.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.26 155.38 62.04 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.5 2.133 . . . . 0.0 111.898 176.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -119.12 37.79 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.304 0.573 . . . . 0.0 110.529 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.58 96.5 3.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.453 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.252 1.21 0 O-C-N 123.812 0.695 . . . . 0.0 111.69 -177.147 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 121.032 0.444 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -83.82 -17.82 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.317 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -97.83 5.9 48.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.886 0.374 . . . . 0.0 110.641 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.34 161.58 29.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.295 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 57.15 28.2 14.65 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.07 0.548 . . . . 0.0 111.615 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -104.97 -4.31 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.437 0.637 . . . . 0.0 110.032 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -79.35 -3.34 45.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.274 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . 13.7 ptp180 -56.81 -30.14 63.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.83 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -69.61 -12.73 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.564 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.65 -33.19 53.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.203 0.525 . . . . 0.0 109.912 176.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.0 t -85.86 -38.72 17.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.105 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 8' ' ' ARG . 45.6 t -71.22 121.19 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 121.492 0.663 . . . . 0.0 110.341 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -149.2 18.42 0.96 Allowed 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.777 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.15 -179.1 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.249 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m 65.54 30.46 10.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.191 0.52 . . . . 0.0 110.829 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -82.49 78.55 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.339 0.59 . . . . 0.0 109.62 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 t -174.11 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.899 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.437 ' HB3' HG21 ' A' ' 21' ' ' THR . 74.5 m95 -130.49 8.83 5.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.58 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.0 m 62.96 20.88 12.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.017 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.28 24.35 74.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.361 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.437 HG21 ' HB3' ' A' ' 18' ' ' TRP . 15.3 t -62.03 -31.33 71.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.517 0.198 . . . . 0.0 111.189 -177.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -66.94 -41.46 86.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.667 0.27 . . . . 0.0 110.908 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -82.77 -26.17 32.1 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.718 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' O ' HG12 ' A' ' 28' ' ' ILE . 80.6 ttt180 -71.14 -47.46 57.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.782 0.325 . . . . 0.0 110.458 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.88 99.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.819 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.14 -32.84 73.4 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.776 0.322 . . . . 0.0 111.004 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -67.92 -46.98 70.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 24' ' ' ARG . 48.4 mm -65.66 -36.49 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.296 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 tp -52.78 -55.42 23.06 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.689 0.28 . . . . 0.0 110.514 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.435 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 48.8 mm -61.76 -43.8 97.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -66.47 -44.47 82.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.55 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 3.2 tm? -69.99 -34.87 73.9 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -176.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 66.9 mt -54.31 -64.36 0.85 Allowed 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.149 0.499 . . . . 0.0 110.523 174.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 7.4 pt-20 -60.3 -30.26 69.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.549 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.11 -44.81 94.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.486 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.3 mt -66.92 -27.47 67.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.038 0.447 . . . . 0.0 110.723 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD11 ' O ' ' A' ' 33' ' ' LEU . 8.9 mp -76.91 -39.16 51.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.33 177.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.6 -46.5 59.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.378 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.61 -23.3 65.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.896 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.3 t 64.24 54.41 1.6 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.202 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 m -65.15 -34.88 79.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.637 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.54 -98.14 0.11 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.35 129.64 36.91 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.381 0.61 . . . . 0.0 111.211 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -98.64 -61.69 1.34 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.71 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.9 p -175.06 65.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.837 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.3 m -72.83 -22.64 20.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.989 0.423 . . . . 0.0 110.696 -177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -148.18 63.99 1.1 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.554 0.692 . . . . 0.0 109.427 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.42 37.47 3.47 Favored Glycine 0 C--N 1.317 -0.493 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.213 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -76.79 -38.48 53.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.214 -0.493 . . . . 0.0 110.829 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HG2' ' HG2' ' A' ' 51' ' ' ARG . 62.4 tttp -160.26 -79.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.278 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HG2' ' HG2' ' A' ' 50' ' ' LYS . 40.9 mmt180 -120.75 107.32 12.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.726 177.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -81.17 -26.37 36.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -92.72 52.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.78 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -60.37 137.32 58.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.879 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t 68.3 73.53 0.29 Allowed 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.816 0.697 . . . . 0.0 110.551 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.39 -90.65 1.59 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.904 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.22 72.74 0.48 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.257 0.551 . . . . 0.0 109.904 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -146.75 21.66 1.28 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.625 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -87.01 166.96 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.136 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -88.08 47.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.619 0.723 . . . . 0.0 109.848 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -76.73 81.22 3.35 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.864 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.91 -171.89 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.817 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 m -78.65 56.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.054 0.454 . . . . 0.0 110.771 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.76 54.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.451 0.643 . . . . 0.0 110.109 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.2 mm? -92.56 142.0 25.3 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.311 -177.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 65' ' ' LEU . 5.8 Cg_exo -77.63 56.99 5.82 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.782 2.322 . . . . 0.0 111.932 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -142.29 144.0 29.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.93 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.37 142.96 30.69 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 111.986 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -99.02 -6.15 29.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.954 0.406 . . . . 0.0 110.55 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.26 134.44 20.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.521 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.539 178.608 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.629 0.252 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m -88.55 -18.55 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.826 0.346 . . . . 0.0 110.414 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.71 106.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -133.76 -68.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.948 0.404 . . . . 0.0 111.053 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -106.27 124.4 49.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.512 0.672 . . . . 0.0 111.994 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -117.71 70.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.059 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -106.16 -74.63 0.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.14 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -75.46 -24.52 56.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.777 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -83.98 -4.84 59.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.651 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.89 -30.73 15.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 110.468 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -105.86 22.8 14.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.906 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -80.0 140.46 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.022 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 57.8 tttp 66.35 19.62 10.99 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.697 0.761 . . . . 0.0 110.075 -177.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.1 t -112.69 128.42 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.927 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 t -72.6 169.22 17.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.237 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -78.72 62.97 3.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.274 -177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.6 m -90.39 -82.46 0.28 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.151 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -107.88 -8.78 15.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.095 0.474 . . . . 0.0 110.33 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.5 m -54.06 -50.32 67.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.412 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.66 -12.77 79.53 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.179 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -64.81 -45.32 86.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.033 0.444 . . . . 0.0 111.018 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -75.09 -5.1 42.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.257 0.551 . . . . 0.0 110.854 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 63.2 tttp -78.84 -25.31 44.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.015 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -65.13 -13.79 58.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.171 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.99 -4.82 43.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 28.9 pt20 -70.1 -29.29 66.22 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -137.76 78.89 1.71 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.021 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.61 -14.29 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.825 -175.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.58 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.6 mm? -51.06 -44.09 61.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.016 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.456 ' C ' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -68.75 -37.33 77.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.118 0.485 . . . . 0.0 109.901 -179.125 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -66.94 -34.08 76.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.652 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.7 tp -72.6 -35.33 67.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.916 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 88.0 mt -51.68 -63.47 1.12 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.115 0.483 . . . . 0.0 111.034 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -61.93 -33.41 74.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.494 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.8 -37.33 86.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.603 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 mt -66.94 -29.38 69.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.0 -39.84 68.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.992 0.425 . . . . 0.0 109.859 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.19 -47.04 81.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.295 0.569 . . . . 0.0 109.662 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -59.04 -39.72 82.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.826 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.17 -25.27 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.5 m -78.4 -50.95 10.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.499 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.95 105.3 2.11 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.608 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -59.44 126.34 27.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.799 0.809 . . . . 0.0 112.657 -174.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -121.95 4.55 9.92 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.5 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.33 60.59 6.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.072 -174.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 m -96.55 85.19 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.163 0.506 . . . . 0.0 111.247 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 68.46 -175.77 0.2 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.426 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.3 -67.29 2.04 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.56 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 60.54 -167.33 0.18 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.255 0.55 . . . . 0.0 111.448 176.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HB2' ' HZ2' ' A' ' 50' ' ' LYS . 4.4 ttmp? -126.48 151.91 47.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -83.55 61.03 6.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.428 0.632 . . . . 0.0 109.829 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -60.58 -52.58 64.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.966 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 49.58 59.87 4.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.293 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -94.78 120.6 35.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.5 m -114.66 140.78 48.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.58 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.02 105.26 2.31 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.854 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.47 85.0 2.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.001 0.429 . . . . 0.0 109.91 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -144.93 -26.79 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.523 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -136.9 84.41 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.655 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -106.31 52.31 0.73 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.546 0.689 . . . . 0.0 110.626 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.4 m -113.8 83.16 1.81 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.477 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -140.24 147.21 39.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.533 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -73.66 80.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.248 0.546 . . . . 0.0 110.231 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.93 87.6 1.15 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.502 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.17 121.89 50.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.445 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 6.0 Cg_exo -74.21 74.77 3.49 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.588 2.192 . . . . 0.0 110.926 173.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 33.9 mm-40 70.8 108.21 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.854 -173.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.19 130.38 39.36 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.566 2.844 . . . . 0.0 113.356 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 pttm 41.32 38.01 0.73 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.469 1.107 . . . . 0.0 112.672 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -121.74 -17.02 7.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.951 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.2 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.672 -178.322 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.739 0.304 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p -122.49 118.18 54.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.771 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.6 tp 61.74 24.22 14.38 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.135 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -98.52 67.56 1.78 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.241 0.543 . . . . 0.0 110.012 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -108.71 -10.14 15.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.263 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.87 58.98 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.262 0.553 . . . . 0.0 111.371 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 p -110.82 -85.78 0.55 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.983 174.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -76.33 -18.58 58.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.079 0.466 . . . . 0.0 110.467 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -80.37 -17.31 52.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.076 175.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.26 -30.79 18.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.318 0.58 . . . . 0.0 109.839 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.7 m -83.15 51.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.046 174.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -87.45 130.09 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.967 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -134.09 6.82 3.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.681 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 p -101.26 136.57 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.163 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m 60.0 48.0 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.85 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HZ3' ' CB ' ' A' ' 16' ' ' LYS . 9.3 mtpm? -73.06 47.83 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.666 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 t -110.43 -28.87 8.35 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -150.12 24.44 0.83 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.061 0.458 . . . . 0.0 111.077 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -81.55 64.16 6.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.881 0.372 . . . . 0.0 111.035 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.96 31.12 75.23 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.263 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.529 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 9.7 t -82.53 -29.01 30.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -171.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -75.12 -24.01 57.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -127.09 -51.32 1.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.798 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -73.77 -57.43 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.044 0.45 . . . . 0.0 111.09 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.529 ' HB2' ' HA ' ' A' ' 21' ' ' THR . . . -66.1 -32.86 74.56 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -173.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.78 -23.96 54.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.682 0.277 . . . . 0.0 111.486 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -75.66 -57.47 3.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.2 mm -124.88 -47.77 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.626 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.8 mp -56.75 -44.26 81.54 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -171.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.8 mm -55.27 -42.24 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.707 0.289 . . . . 0.0 110.487 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -66.2 -53.26 39.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.139 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.51 -33.55 69.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.128 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 83.1 mt -58.81 -66.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 111.006 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.8 -28.39 69.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.574 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -65.01 -52.93 53.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.71 -40.98 98.86 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.51 -56.54 19.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.832 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.27 -41.33 93.06 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.46 0.648 . . . . 0.0 110.813 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -54.86 -44.91 74.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.247 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 p -98.22 -34.93 10.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 m -127.9 152.19 48.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.992 0.425 . . . . 0.0 110.827 -174.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.61 162.07 15.48 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.507 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.9 131.05 49.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.959 0.409 . . . . 0.0 110.896 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -77.57 -28.61 51.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.64 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.3 m 47.82 58.19 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.544 172.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.1 t -107.15 -12.37 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 67.71 -166.07 0.2 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.096 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.7 -15.38 61.71 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.661 -177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -137.88 66.79 1.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HD3' ' OE1' ' A' ' 52' ' ' GLN . 43.6 tttp -90.41 -69.98 0.7 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.102 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.406 ' HB3' ' HB2' ' A' ' 54' ' ' HIS . 24.9 mmt180 58.2 72.84 0.5 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.341 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.444 ' OE1' ' HD3' ' A' ' 50' ' ' LYS . 1.1 mp0 -41.9 -74.04 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.66 -1.155 . . . . 0.0 113.193 -167.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -101.07 43.83 1.04 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.45 0.643 . . . . 0.0 110.468 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 15.6 m80 -135.1 -56.7 0.81 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.04 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.6 m -101.47 -49.43 4.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.26 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.47 154.21 8.44 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.491 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -105.78 -10.26 16.81 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.802 0.334 . . . . 0.0 111.201 -178.314 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.5 m 58.5 26.4 14.24 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.203 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' H ' HD23 ' A' ' 57' ' ' LEU . 42.5 mt-10 -102.3 139.44 37.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.843 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -103.91 50.76 0.79 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.583 0.706 . . . . 0.0 109.913 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 m -87.97 74.47 8.94 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.99 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -81.85 74.75 8.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.052 0.929 . . . . 0.0 110.298 177.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -172.11 -36.85 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.015 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.26 67.2 0.79 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.684 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 65' ' ' LEU . 2.2 pt? -150.28 118.07 3.56 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.276 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.29 54.43 3.78 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.849 2.366 . . . . 0.0 111.483 177.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -108.73 103.52 51.81 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.177 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.24 87.05 0.62 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.71 2.273 . . . . 0.0 111.658 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -133.44 24.85 4.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.641 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.41 44.16 21.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.741 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.2 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.114 177.92 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.867 0.365 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.0 t -80.59 -69.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.897 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 4' ' ' ARG . 3.3 tt -147.02 126.6 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.91 0.386 . . . . 0.0 110.208 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.411 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.3 mpt_? -112.28 112.26 23.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.113 175.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -78.88 146.5 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.962 0.411 . . . . 0.0 110.573 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.28 39.94 1.42 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.186 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -72.47 -22.28 61.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.144 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -72.87 -15.53 61.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.574 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' HB3' ' HZ1' ' A' ' 9' ' ' LYS . 9.7 mtpm? -72.87 67.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.244 0.545 . . . . 0.0 110.901 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.29 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.237 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.5 m -148.44 47.4 1.04 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.758 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.18 139.99 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.904 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -118.06 -8.59 10.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.929 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.59 147.44 7.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.028 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 m -107.25 105.99 16.23 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.734 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -119.38 148.02 43.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.264 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.9 p -95.43 -166.05 1.39 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.878 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.516 ' HB2' ' HB ' ' A' ' 21' ' ' THR . 3.5 m-90 -87.62 24.95 1.57 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.676 0.274 . . . . 0.0 110.946 176.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 t 72.76 -72.4 0.12 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.763 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.13 27.05 10.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.438 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.522 ' C ' ' H ' ' A' ' 23' ' ' LYS . 5.4 t -75.24 -13.33 60.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.157 0.503 . . . . 0.0 110.752 -178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -78.44 27.69 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.354 0.597 . . . . 0.0 109.662 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 21' ' ' THR . 45.9 mmtm 65.58 28.84 11.26 Favored 'General case' 0 CA--C 1.523 -0.061 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.023 175.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 26.4 tpt180 -89.16 -71.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.243 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.64 -31.6 46.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.799 0.333 . . . . 0.0 110.649 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.98 -25.7 65.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 30.2 ptt180 -68.06 -17.07 64.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.076 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.4 mm -103.24 -47.74 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.844 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.1 tp -53.48 -49.69 66.95 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.549 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.499 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 47.8 mm -69.67 -40.15 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.47 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.23 -44.32 97.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.312 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.98 -40.74 83.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.705 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.602 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 3.6 pp -66.75 -42.18 86.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.045 -175.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 10.5 pt-20 -72.0 -36.92 69.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 0.0 110.757 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.96 -45.23 86.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.348 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.56 -38.27 89.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.252 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 94.1 mt -62.49 -48.01 81.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.014 0.435 . . . . 0.0 110.504 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -68.59 -45.92 70.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.085 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -54.87 -44.41 74.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.301 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.3 m -77.44 -62.88 1.52 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.868 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.3 p -95.93 109.49 21.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.262 0.553 . . . . 0.0 111.059 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.83 47.26 0.82 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.256 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.21 -35.08 77.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.115 0.483 . . . . 0.0 110.403 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.03 -31.19 72.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.126 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.0 m -120.08 37.34 4.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.27 -27.9 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.294 0.568 . . . . 0.0 109.85 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.1 139.77 40.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.45 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.29 2.5 88.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 0.0 113.281 -174.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.516 ' HA ' ' NH1' ' A' ' 51' ' ' ARG . 59.4 mttp 55.97 51.21 12.42 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.001 0.429 . . . . 0.0 110.164 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -52.98 -52.36 58.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.305 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.516 ' NH1' ' HA ' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -60.87 -19.33 59.94 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -178.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -103.17 3.84 36.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.982 0.42 . . . . 0.0 110.718 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 49.34 44.74 23.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.704 -174.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 75.41 -65.23 0.34 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.787 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.6 m -115.33 105.31 12.72 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.256 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.59 -91.78 0.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.48 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -167.14 -33.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.8 t 40.21 78.33 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.279 0.987 . . . . 0.0 111.898 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -72.9 53.98 0.36 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.076 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -89.13 42.71 1.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.937 0.875 . . . . 0.0 109.502 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.9 t -130.46 165.53 22.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.207 -175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -128.38 132.19 48.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.103 0.478 . . . . 0.0 110.891 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.3 t -119.04 127.18 53.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.085 174.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.67 59.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.304 0.574 . . . . 0.0 109.915 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 mp -122.77 81.13 49.03 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.578 175.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.07 90.97 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.813 2.342 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 56.79 76.81 0.46 Allowed Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.373 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.65 67.28 7.3 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.792 2.328 . . . . 0.0 112.618 -176.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -86.28 -50.95 6.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 179.77 138.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.99 0.516 . . . . 0.0 109.809 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.306 177.526 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 95.1 mmm . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 p -138.68 131.93 39.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.045 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -149.46 141.75 24.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.073 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -126.84 57.69 1.44 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.938 0.399 . . . . 0.0 110.672 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -143.09 168.63 19.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.866 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.456 ' C ' ' HG ' ' A' ' 7' ' ' SER . 3.8 mm? -66.22 -32.75 74.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.713 0.292 . . . . 0.0 110.641 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.456 ' HG ' ' C ' ' A' ' 6' ' ' LEU . 54.3 p 49.86 -98.53 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.964 0.906 . . . . 0.0 112.215 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.646 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 21.6 ptt180 -78.54 -10.8 59.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.451 . . . . 0.0 111.408 -176.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -87.62 -7.8 57.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.51 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.13 -64.09 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 m -86.34 55.17 3.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.332 0.587 . . . . 0.0 110.1 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.646 ' HB ' ' O ' ' A' ' 8' ' ' ARG . 6.0 p -94.89 130.16 44.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.789 -177.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -85.79 -29.95 23.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.222 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.63 84.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.836 0.827 . . . . 0.0 111.507 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 t -158.1 69.6 0.53 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.049 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -143.77 77.29 1.55 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.836 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -113.0 -24.83 9.28 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.325 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -81.3 -8.65 59.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.148 0.499 . . . . 0.0 110.83 -175.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -73.57 -24.98 60.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.182 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.52 67.31 0.2 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 m -61.94 -71.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -170.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.529 ' O ' ' HD2' ' A' ' 22' ' ' LYS . 4.6 tmmm? -63.97 -22.96 67.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.459 0.647 . . . . 0.0 109.455 -178.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -69.57 -47.04 64.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.049 -178.576 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -90.2 -26.81 19.93 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.834 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' HA ' HD21 ' A' ' 29' ' ' LEU . . . -69.37 -19.21 63.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 111.182 -177.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 2.3 pt20 -76.06 -10.61 59.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -132.62 -56.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.468 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.0 mt -63.57 -54.62 30.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -176.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.712 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.6 mm? -64.37 -24.61 67.7 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.008 -176.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.5 mm -72.8 -42.25 61.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.197 0.522 . . . . 0.0 109.687 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -66.31 -35.58 80.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.255 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.99 -29.53 67.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.029 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 88.6 mt -60.16 -64.52 0.92 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.332 0.587 . . . . 0.0 110.151 175.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.24 -31.13 67.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.08 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -66.23 -46.49 76.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.688 0.28 . . . . 0.0 110.459 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.07 -42.35 89.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.829 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.08 -44.04 95.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.783 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.25 -46.57 86.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.567 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -54.3 -65.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.315 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -178.21 53.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.7 m 71.57 -51.62 0.69 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.857 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.08 -176.43 45.19 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -97.03 123.78 40.85 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 117.423 0.612 . . . . 0.0 110.261 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.28 -38.05 2.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.5 t 57.65 62.64 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.277 0.56 . . . . 0.0 110.13 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.9 t -71.39 -34.72 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.171 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -109.11 152.53 24.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.976 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -112.8 54.11 0.56 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.406 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.72 126.13 26.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.98 0.419 . . . . 0.0 110.35 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 60.9 mttp -123.97 -170.12 2.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -177.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 1' ' ' MET . 38.5 mmt180 -107.97 112.48 25.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.839 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.49 -40.46 66.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.118 0.485 . . . . 0.0 110.502 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 62.32 10.02 3.63 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.267 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -140.64 10.61 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.014 0.435 . . . . 0.0 110.254 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -124.8 93.35 3.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.54 -175.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.75 -105.15 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.689 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 47.28 65.66 1.2 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.817 0.818 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.3 t -152.44 61.67 0.82 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.321 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 61.98 62.04 1.28 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.992 -174.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -128.46 49.07 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.16 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.3 m -88.26 111.32 21.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.903 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -57.63 114.44 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.147 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -80.73 64.38 5.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.355 0.598 . . . . 0.0 110.169 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.38 45.83 2.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.655 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -88.9 123.74 66.89 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.141 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.89 129.08 27.56 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.475 2.117 . . . . 0.0 111.199 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 10.6 pt-20 -57.76 128.29 80.03 Favored Pre-proline 0 C--N 1.331 -0.23 0 O-C-N 123.257 0.348 . . . . 0.0 111.291 -176.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 31.4 Cg_exo -60.16 101.31 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.877 2.385 . . . . 0.0 111.883 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -114.12 13.84 18.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.413 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.12 102.84 3.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.131 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.22 -179.602 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.272 0.558 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.2 t -128.26 -50.76 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.505 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.7 mt -74.69 114.27 12.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.487 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.602 ' NE ' ' HA ' ' A' ' 4' ' ' ARG . 3.2 mmp_? -123.69 -61.15 1.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -130.07 -65.49 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.161 0.505 . . . . 0.0 110.655 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.92 35.16 1.38 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.674 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 m -48.66 -55.43 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.783 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -98.7 -19.46 17.49 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.862 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.94 -31.46 66.84 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.728 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.69 -6.02 56.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.477 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -129.77 21.19 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 111.09 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.81 -55.17 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.248 0.547 . . . . 0.0 109.582 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -124.64 -63.19 1.2 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.476 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -172.88 154.31 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.601 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.6 t -130.73 87.89 2.55 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 69.63 168.04 0.29 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.2 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 21' ' ' THR . 0.4 OUTLIER 74.24 -6.28 1.9 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.798 177.025 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.2 t-105 -71.49 -6.19 38.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.485 0.66 . . . . 0.0 110.611 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -74.88 -19.42 60.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.44 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.524 ' O ' HG22 ' A' ' 21' ' ' THR . . . -164.52 -46.19 0.02 OUTLIER Glycine 0 CA--C 1.507 -0.439 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.698 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 20' ' ' GLY . 5.7 t 56.87 2.87 0.11 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.305 1.442 . . . . 0.0 113.917 174.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt 54.18 32.98 17.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 0.0 110.642 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.6 mmtm 70.11 4.32 4.78 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.258 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 74.1 mtp180 -64.7 -50.92 65.05 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.417 -0.177 . . . . 0.0 111.42 -177.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -55.42 -32.7 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -73.82 -27.72 61.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.454 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 37.2 ptt180 -89.34 -22.96 22.37 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.572 HG12 ' O ' ' A' ' 24' ' ' ARG . 43.4 mm -61.37 -32.4 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.813 173.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 25' ' ' ALA . 70.7 mt -55.79 -35.59 66.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.57 176.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.769 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.4 mp -84.68 -43.33 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.934 177.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.63 -40.49 72.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.907 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -36.08 83.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.464 -178.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.769 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 3.6 pp -74.2 -34.59 63.78 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.094 -178.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 30' ' ' ILE . 37.6 mt-10 -69.01 -43.64 74.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.925 175.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.76 -45.44 93.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.141 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.71 -46.75 70.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.033 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.81 -53.75 41.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.345 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -57.86 -49.07 77.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.532 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -57.67 -48.0 80.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.05 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.2 m -72.34 -26.01 61.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.676 0.274 . . . . 0.0 110.662 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.3 m 70.34 -69.2 0.18 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.786 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.63 111.95 1.13 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.591 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.19 129.64 34.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.248 0.547 . . . . 0.0 111.42 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -123.53 -67.16 0.95 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.114 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 m 57.95 34.87 24.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.527 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.2 t -99.74 -39.99 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.258 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -117.24 61.02 0.75 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.298 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.4 59.47 4.04 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.858 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -78.35 -51.93 9.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -86.7 170.4 11.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.873 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 52.64 32.89 12.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.401 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -86.1 -74.19 0.43 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.951 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -147.88 29.87 0.9 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.04 0.447 . . . . 0.0 110.814 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -136.95 142.0 42.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.488 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.1 p -135.8 117.62 15.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.728 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.08 159.01 27.81 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.764 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 pp -85.21 -24.34 27.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.13 0.49 . . . . 0.0 110.329 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 61' ' ' THR . 3.2 m -73.55 -9.26 58.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.906 178.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -75.73 132.24 40.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.002 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 59.24 49.05 9.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.187 0.517 . . . . 0.0 110.816 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 58' ' ' THR . 3.3 p -54.56 -70.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.749 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -97.09 59.56 1.64 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.735 0.779 . . . . 0.0 109.316 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.8 m -149.65 167.84 25.26 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.304 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 55.92 68.89 0.8 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.509 0.506 . . . . 0.0 110.589 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.27 119.02 20.58 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.624 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.83 117.17 2.56 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.391 2.727 . . . . 0.0 112.992 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.55 138.31 93.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.988 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.83 105.17 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.772 2.314 . . . . 0.0 111.761 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -131.41 37.04 3.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.689 0.757 . . . . 0.0 109.874 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.77 46.01 1.13 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.186 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.585 177.508 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.982 0.42 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 p -87.59 135.04 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.096 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 7' ' ' SER . 68.1 mt -81.63 56.38 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.439 . . . . 0.0 111.158 -177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' HG3' ' HG3' ' A' ' 5' ' ' GLN . 37.5 ptt180 -89.93 -19.06 24.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.776 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.4 ' HG3' ' HG3' ' A' ' 4' ' ' ARG . 78.0 mt-30 -106.65 -48.49 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.896 0.379 . . . . 0.0 110.462 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.01 93.81 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.216 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.471 ' HA ' ' HB3' ' A' ' 3' ' ' LEU . 7.4 m -85.39 -52.21 6.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.766 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -108.13 -23.59 11.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.052 0.453 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 99.4 mttt -91.55 23.77 3.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.015 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.67 -35.98 12.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.1 t -87.67 -57.52 2.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.861 175.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 9' ' ' LYS . 37.5 t -97.95 114.65 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-O 121.367 0.603 . . . . 0.0 109.907 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -115.29 -7.7 12.34 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.679 -175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.7 t 68.93 -70.06 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.23 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -119.1 120.18 36.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.122 0.487 . . . . 0.0 110.664 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -130.27 53.16 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.554 0.692 . . . . 0.0 109.598 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.496 HG22 ' CD1' ' A' ' 18' ' ' TRP . 43.4 m -148.61 133.44 17.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.266 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CD1' HG22 ' A' ' 17' ' ' THR . 90.1 m95 64.72 11.48 6.85 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.544 0.528 . . . . 0.0 110.751 -178.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -73.72 93.54 2.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.547 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.85 -30.04 9.03 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.121 -0.561 . . . . 0.0 111.761 -177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 40.23 -91.54 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.76 1.224 . . . . 0.0 113.169 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.04 -36.1 74.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.939 0.399 . . . . 0.0 110.682 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -83.25 6.26 20.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.262 0.553 . . . . 0.0 110.228 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -110.98 -48.58 3.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -66.17 -59.97 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.974 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.31 -35.67 78.0 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.792 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -53.34 -55.82 21.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.159 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.19 -41.56 89.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.777 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 25' ' ' ALA . 86.3 mt -57.2 -54.1 50.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.017 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.554 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.8 mp -65.25 -43.68 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.585 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.14 -39.57 82.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 67.8 tp -84.62 -37.74 20.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.85 -175.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.577 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 3.5 pp -63.12 -41.2 99.29 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.742 -175.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 10.2 pt-20 -69.79 -33.11 71.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.981 0.419 . . . . 0.0 110.658 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -66.85 -45.17 79.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.285 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.3 mt -60.39 -37.62 81.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.942 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 77.9 mt -77.36 -2.59 35.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.391 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -112.26 -49.63 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.314 0.578 . . . . 0.0 110.365 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.95 -37.43 82.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.96 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -149.87 78.23 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 37' ' ' LEU . 15.3 t -84.18 -179.47 7.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.586 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.69 -154.16 17.13 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.73 -66.57 0.69 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.979 0.39 . . . . 0.0 110.808 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.6 t70 54.03 55.44 8.31 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.819 0.819 . . . . 0.0 109.986 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -71.88 89.36 1.07 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.842 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.05 -28.08 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.43 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -122.87 137.7 54.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.916 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.62 4.66 85.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.482 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 65.85 121.45 0.02 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.514 0.726 . . . . 0.0 111.026 -177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 50' ' ' LYS . 13.9 tmtt? -53.75 125.34 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.169 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -62.93 118.65 8.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.647 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -81.44 -9.55 59.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.898 174.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 41.65 58.18 2.83 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.964 0.905 . . . . 0.0 112.885 173.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -131.73 136.8 47.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.849 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 p -73.79 91.17 1.92 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.191 0.519 . . . . 0.0 111.024 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.2 -179.0 29.95 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.66 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -126.04 -60.39 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 p -88.5 -44.0 11.01 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.525 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' OE2' ' HA ' ' A' ' 63' ' ' SER . 41.7 tt0 -105.52 83.68 1.98 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.391 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -93.06 47.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.319 -171.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.5 m -137.51 -72.36 0.43 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.973 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -160.54 146.3 14.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.404 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 27.2 p -62.01 99.59 0.13 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.154 0.502 . . . . 0.0 110.788 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.67 74.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.437 0.637 . . . . 0.0 110.833 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.81 119.18 76.39 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.138 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.06 101.17 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.393 2.062 . . . . 0.0 110.36 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 6.4 mm-40 63.7 85.89 0.16 Allowed Pre-proline 0 C--O 1.233 0.203 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -171.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.64 88.74 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.279 2.653 . . . . 0.0 113.365 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 79.0 mttt -82.09 -28.08 32.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 175.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.03 143.98 22.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.866 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.329 -177.529 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mtm . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.614 0.245 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.435 HG13 ' H ' ' A' ' 4' ' ' ARG . 66.4 t 70.61 112.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.139 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 3' ' ' LEU . 5.8 mp -93.53 28.29 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.473 0.654 . . . . 0.0 110.242 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.435 ' H ' HG13 ' A' ' 2' ' ' VAL . 4.5 tpt180 -135.42 43.42 2.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.379 -177.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -80.45 -64.6 1.15 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.975 -175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -77.89 -25.88 48.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.987 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 t -77.71 52.87 1.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.239 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 3.0 ppt_? -172.24 -32.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.137 176.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 8' ' ' ARG . 14.8 ptmm? -87.98 4.4 45.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.17 -10.98 26.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.887 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -163.83 63.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.345 0.593 . . . . 0.0 110.345 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.422 ' O ' HG21 ' A' ' 14' ' ' VAL . 12.9 p -108.82 -33.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.927 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? 37.44 68.64 0.28 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.573 1.149 . . . . 0.0 113.029 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 12' ' ' VAL . 83.9 t -122.65 -24.45 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.728 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.4 p -77.51 53.86 1.11 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -172.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -175.0 150.64 1.23 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -112.83 -13.87 13.14 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.608 0.718 . . . . 0.0 109.22 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 55.92 27.38 11.0 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.555 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -131.44 121.66 24.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.542 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 38.0 13.6 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.789 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -90.89 8.22 36.09 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 58.32 32.55 22.2 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.943 -171.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 8.9 ptpp? 44.96 26.61 0.22 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.982 -175.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.82 -58.79 5.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.916 0.389 . . . . 0.0 110.948 -172.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.6 24.64 0.84 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.889 -174.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' O ' HG12 ' A' ' 30' ' ' ILE . 3.9 pt20 -129.64 -40.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.715 174.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 14.9 ptm180 -75.25 -30.35 60.47 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.584 -0.447 . . . . 0.0 111.129 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.9 mt -65.02 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.976 0.417 . . . . 0.0 110.229 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.8 mp -65.31 -40.73 94.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.534 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 26' ' ' GLN . 51.5 mm -65.85 -41.73 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.41 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.07 -42.42 97.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.469 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.99 -37.77 83.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.525 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 91.4 mt -56.26 -65.45 0.6 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.266 0.555 . . . . 0.0 110.781 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.87 -31.42 69.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.818 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -70.82 -53.9 13.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.929 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HB3' ' HA3' ' A' ' 42' ' ' GLY . 72.3 mt -64.95 -38.58 91.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.536 -176.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -76.22 -20.36 57.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 -178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -83.23 -41.96 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -57.86 -53.03 62.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.226 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -174.43 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 p -135.43 -45.4 0.69 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.083 0.468 . . . . 0.0 110.296 173.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' A' ' 36' ' ' LEU . . . 112.6 170.02 17.95 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.67 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -63.94 159.05 20.71 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.927 0.394 . . . . 0.0 110.589 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.62 43.45 1.06 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m 59.64 82.22 0.16 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.708 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.8 m -63.05 -34.61 67.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.429 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t70 49.05 86.1 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.155 0.91 . . . . 0.0 112.198 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.44 56.03 3.51 Favored Glycine 0 C--N 1.316 -0.568 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.625 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -92.57 -82.07 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.934 0.397 . . . . 0.0 110.191 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -70.26 130.38 41.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.292 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -87.61 157.03 19.22 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.163 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.25 -67.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.898 0.38 . . . . 0.0 111.212 -175.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.3 51.43 2.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.441 0.638 . . . . 0.0 110.354 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -70.52 -18.41 62.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.553 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t -129.1 159.15 36.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.563 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.32 110.08 0.61 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.829 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.35 -69.06 0.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.382 0.611 . . . . 0.0 110.159 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -91.15 39.46 0.99 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.651 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 54.28 -160.38 0.15 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.437 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -124.59 58.28 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.3 p -77.03 -171.58 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.369 -175.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 66' ' ' PRO . 45.9 t80 -50.84 110.73 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.404 0.621 . . . . 0.0 111.347 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 m -98.98 176.39 5.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.734 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 66.31 92.1 0.08 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.777 0.673 . . . . 0.0 111.437 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.1 mt 56.12 67.26 2.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.292 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 35.2 Cg_exo -62.45 135.75 55.22 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.556 2.17 . . . . 0.0 111.254 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.91 118.75 74.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.019 0.438 . . . . 0.0 111.46 -176.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -91.86 72.81 0.72 Allowed 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 123.043 2.495 . . . . 0.0 111.85 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.78 -39.26 66.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.354 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 65.85 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.612 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.028 -178.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.796 0.331 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -85.93 149.71 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.152 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.7 pt? -72.96 -179.71 3.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.195 177.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' A' ' 4' ' ' ARG . 61.5 ttt180 69.35 16.73 8.31 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.749 0.785 . . . . 0.0 109.878 -175.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 3.9 pt20 -87.79 -6.9 57.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.616 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.48 -0.33 56.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.407 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m -86.94 -33.0 19.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.519 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 38.1 ptt180 -73.44 -13.11 61.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.662 -176.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -60.46 -21.35 62.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.135 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.38 -4.58 57.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.275 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 m -146.78 31.42 0.96 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.033 0.444 . . . . 0.0 110.602 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.4 p -101.39 -20.93 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.298 0.571 . . . . 0.0 110.327 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HZ1' ' HB2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -109.14 -21.26 12.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.811 176.326 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.0 t -59.07 113.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.702 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' SER . 46.9 m 55.71 38.02 29.59 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.821 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -134.71 70.34 1.44 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.42 0.628 . . . . 0.0 110.736 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 t -147.63 -42.21 0.17 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.784 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -133.34 17.58 4.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.071 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 15' ' ' SER . 23.7 t -126.03 128.41 47.38 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.271 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.97 36.31 85.97 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.059 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -145.82 -41.11 0.22 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.666 0.27 . . . . 0.0 110.562 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -70.74 -49.35 47.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.427 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 26' ' ' GLN . 96.4 mttt -82.84 -27.96 30.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.403 0.62 . . . . 0.0 110.151 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -69.8 -26.03 64.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.94 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.13 -11.96 45.44 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' A' ' 23' ' ' LYS . 13.9 pt20 -102.74 -2.84 27.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.241 0.543 . . . . 0.0 109.798 175.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -137.48 40.74 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.378 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.99 -41.87 81.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.706 -177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.88 -35.85 81.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 110.833 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.701 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.1 mp -70.88 -47.71 61.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.043 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -59.95 -33.22 71.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.228 0.537 . . . . 0.0 109.868 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 8.1 tt -65.2 -42.65 93.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.632 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 3.3 pp -70.2 -33.53 71.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.073 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 30' ' ' ILE . 38.3 mt-10 -62.69 -39.47 94.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.289 0.566 . . . . 0.0 109.758 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -63.49 -40.95 98.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.244 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.4 mt -60.34 -39.95 88.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 110.572 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 74.6 mt -72.54 -38.92 67.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.686 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.08 -49.83 40.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -66.86 -17.34 64.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.661 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 23.0 t 68.84 46.52 0.88 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.229 176.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.8 p -62.73 143.07 57.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.61 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.19 2.48 26.42 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.656 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 40' ' ' CYS . 17.3 mm-40 -57.12 -52.19 66.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.222 0.534 . . . . 0.0 110.058 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -102.75 97.38 7.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.514 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.5 t -134.38 69.41 1.46 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.695 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.7 m -109.04 -28.0 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.314 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.7 t70 68.93 -8.66 0.64 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.104 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.58 7.37 53.88 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -113.87 -178.04 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -84.36 -82.69 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 58.58 101.5 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.145 0.578 . . . . 0.0 112.522 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -61.38 -26.84 68.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.543 -176.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -75.79 -9.88 58.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -105.24 136.17 45.25 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t 73.66 -43.84 0.56 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.84 0.712 . . . . 0.0 110.538 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.39 172.38 21.5 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.826 174.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.07 -72.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.154 0.502 . . . . 0.0 109.649 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.0 p -96.18 7.31 46.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.951 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.2 104.88 5.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.378 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -158.54 85.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.71 0.767 . . . . 0.0 109.94 -175.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.0 m -54.35 119.41 5.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.15 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -89.38 154.17 20.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.392 . . . . 0.0 109.989 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.0 t -155.39 61.79 0.62 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.205 0.526 . . . . 0.0 110.146 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.58 21.35 12.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.0 mt 63.89 84.47 0.18 Allowed Pre-proline 0 N--CA 1.463 0.192 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.46 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -79.14 53.22 4.61 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.888 2.392 . . . . 0.0 112.078 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.18 113.37 58.95 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.585 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.56 153.24 79.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.745 2.297 . . . . 0.0 111.926 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -109.7 20.27 18.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.666 -177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 55.85 43.68 27.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.267 0.556 . . . . 0.0 111.395 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.221 -179.01 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t 68.12 105.63 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 O-C-N 123.504 0.502 . . . . 0.0 109.982 -175.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.5 mt 63.28 68.9 0.59 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.524 -173.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -59.43 134.57 57.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.432 -174.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 58.88 97.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.976 0.798 . . . . 0.0 111.981 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.9 mt -84.89 67.52 10.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.061 0.458 . . . . 0.0 110.444 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m -95.3 -76.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.088 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -76.5 -26.29 55.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 110.21 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -73.94 -5.52 41.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 176.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.08 -31.7 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.293 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -67.66 -32.6 73.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.443 0.64 . . . . 0.0 110.225 176.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.38 138.16 39.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.613 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.45 -45.26 26.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.411 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 p -165.87 132.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.696 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t 60.49 86.02 0.1 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.219 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -76.32 -23.41 54.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.859 0.838 . . . . 0.0 108.798 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.463 ' C ' ' H ' ' A' ' 19' ' ' SER . 52.8 m -142.9 152.23 41.87 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -78.51 39.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.425 0.631 . . . . 0.0 110.598 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 17' ' ' THR . 40.9 m -150.9 122.25 7.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.448 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.19 -119.8 6.03 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.76 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.7 t 44.43 42.6 5.56 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.067 0.947 . . . . 0.0 112.696 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.2 tttt 53.31 37.71 26.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.847 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 65.23 12.64 8.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.051 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -83.49 48.73 1.45 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.668 0.747 . . . . 0.0 110.14 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.14 -57.18 0.07 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.676 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.91 -38.38 90.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.161 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -75.35 -31.42 60.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.499 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.446 ' HA ' ' HB3' ' A' ' 31' ' ' PHE . 41.7 mt -65.96 -26.19 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.595 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.18 -36.16 76.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.042 0.448 . . . . 0.0 110.58 175.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 2.6 mp -85.01 -43.34 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.809 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 28' ' ' ILE . 75.5 t80 -55.69 -37.91 68.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.575 176.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.3 tp -60.7 -47.67 85.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.958 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 3.3 pp -64.69 -39.24 93.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.869 -174.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.29 -30.82 54.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.075 0.464 . . . . 0.0 110.596 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -71.24 -36.68 71.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.356 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.1 mt -64.64 -34.85 79.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.847 0.356 . . . . 0.0 110.776 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 HD21 ' O ' ' A' ' 33' ' ' LEU . 4.6 mm? -83.24 8.31 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.765 0.316 . . . . 0.0 111.002 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -120.58 -50.25 2.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.41 0.624 . . . . 0.0 110.08 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -66.0 -42.74 89.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.696 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 p -121.97 63.22 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.329 0.585 . . . . 0.0 110.97 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 m -86.87 -37.49 17.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.25 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.09 -54.12 0.66 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -114.69 145.72 41.72 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -88.91 -55.72 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.066 0.46 . . . . 0.0 110.917 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.49 ' HB2' ' NE2' ' A' ' 52' ' ' GLN . 45.3 m -148.72 131.85 16.36 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.17 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.6 -38.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.34 0.59 . . . . 0.0 109.851 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -141.68 -179.88 6.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.72 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.13 -10.36 8.8 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.07 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttm 54.49 59.05 4.38 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.249 0.547 . . . . 0.0 110.622 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 51' ' ' ARG . 58.0 tttp -112.28 166.91 10.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.856 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.406 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -70.29 75.75 0.53 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.323 -179.24 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.49 ' NE2' ' HB2' ' A' ' 45' ' ' SER . 81.9 mm-40 -81.63 -72.64 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -106.71 -23.26 12.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.33 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -148.46 153.85 39.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.502 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.7 t -95.15 -50.57 5.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.455 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.44 -139.69 6.87 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.901 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 58.44 66.84 1.02 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.545 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.4 p -95.96 3.99 53.06 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.363 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -121.73 123.76 42.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.255 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 59.13 48.25 10.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.594 0.712 . . . . 0.0 109.947 -176.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.6 m -75.41 -63.46 1.28 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.582 -175.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -98.87 21.81 11.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.393 0.616 . . . . 0.0 110.488 -173.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 p -88.88 -3.4 58.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.365 0.603 . . . . 0.0 110.112 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.2 68.91 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.304 174.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tt -56.87 115.96 11.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.016 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.95 117.23 4.97 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.645 2.23 . . . . 0.0 111.428 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 70.05 103.82 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.828 0.705 . . . . 0.0 111.431 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.48 61.43 5.2 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -95.08 20.08 9.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.357 0.599 . . . . 0.0 110.459 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.58 22.37 5.95 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.671 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.551 -178.516 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.668 0.27 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.79 -51.4 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.589 0.233 . . . . 0.0 110.638 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.5 tp -70.19 123.33 21.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.409 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -133.33 73.47 1.52 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.186 0.517 . . . . 0.0 110.645 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 47.7 mt-30 -71.49 104.96 3.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.947 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -63.2 -23.35 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 0.0 110.461 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.1 p -63.06 -27.91 69.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.003 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 10.3 ptm180 -75.43 -28.47 59.37 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.951 -175.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -93.08 -24.51 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 14' ' ' VAL . . . -68.13 -23.25 64.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.605 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.7 t -79.35 -17.66 54.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.449 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -103.43 -67.5 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -97.07 -15.49 20.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.777 -176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 41.3 t 71.09 -67.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.104 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.8 m 57.83 82.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.475 0.655 . . . . 0.0 111.717 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -87.12 50.97 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.932 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.7 m -64.97 -69.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.213 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -112.36 -8.54 13.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.497 0.665 . . . . 0.0 109.234 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.7 m -70.72 84.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.913 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.51 56.52 3.6 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.638 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -125.07 -25.91 3.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.655 -0.32 . . . . 0.0 111.647 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -74.39 -45.6 45.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.773 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.588 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 86.7 tttt -119.65 -33.68 3.97 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.811 -176.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.483 ' O ' HG12 ' A' ' 28' ' ' ILE . 31.9 tpt180 -68.72 -31.19 70.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.687 0.279 . . . . 0.0 111.144 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.65 70.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 25.1 pt20 -62.02 -28.33 69.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.686 0.279 . . . . 0.0 110.823 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -98.58 -18.48 18.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.907 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 24' ' ' ARG . 47.6 mm -63.52 -32.4 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -59.26 -51.15 71.2 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.543 174.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 2.1 mp -64.92 -42.42 94.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.292 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.76 -37.57 71.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.552 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.09 -43.79 90.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.823 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 49.9 mt -62.11 -58.93 5.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.637 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 11.5 pt-20 -62.21 -27.81 69.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.961 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.04 -45.12 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.344 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.51 -35.57 78.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.05 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mp -72.3 -53.32 12.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.49 -38.97 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.861 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.11 -33.69 74.93 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.171 0.51 . . . . 0.0 110.335 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.7 t -72.34 -32.62 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.238 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -72.42 -47.69 47.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.582 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.07 -153.11 14.73 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.968 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -83.24 150.45 26.18 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.919 0.39 . . . . 0.0 110.999 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.78 -8.14 14.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.262 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.0 m -112.15 87.68 2.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.178 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.6 m -81.44 82.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.07 0.938 . . . . 0.0 110.897 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -127.43 110.0 12.33 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.001 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.78 38.92 3.02 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.86 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -80.65 121.14 25.48 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -83.26 171.95 13.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.835 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 61.71 -175.33 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.626 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -78.06 -73.18 0.33 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.259 0.552 . . . . 0.0 109.684 174.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.15 17.13 1.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.773 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -178.39 145.1 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.321 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.6 m -83.86 -22.24 31.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.141 0.496 . . . . 0.0 111.476 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.471 ' HA2' ' HB3' ' A' ' 59' ' ' GLU . . . 73.45 38.86 51.89 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.574 -0.739 . . . . 0.0 113.947 169.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.92 -76.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.121 0.46 . . . . 0.0 111.012 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 t -80.0 1.11 28.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.318 0.58 . . . . 0.0 110.937 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.471 ' HB3' ' HA2' ' A' ' 56' ' ' GLY . 46.1 tt0 -78.95 87.32 4.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.128 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -111.84 51.06 0.81 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.787 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.4 m -96.89 96.85 8.82 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.609 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -86.91 48.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.089 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -80.0 -52.35 7.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.053 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 53.56 52.2 13.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.418 0.628 . . . . 0.0 111.073 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.6 mt -139.71 154.15 70.78 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.766 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.09 57.48 3.98 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.889 2.393 . . . . 0.0 111.661 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 9.5 pt-20 -70.84 122.19 86.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.41 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 16.3 Cg_exo -68.15 96.28 0.46 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.577 2.185 . . . . 0.0 111.432 175.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -77.25 -67.87 0.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.035 0.445 . . . . 0.0 110.642 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.76 -36.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.724 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.357 -179.501 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 120.859 0.361 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -173.54 -37.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.877 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tt 52.73 71.82 0.46 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.231 0.539 . . . . 0.0 110.084 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -128.04 30.55 5.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.303 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.7 -46.03 74.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.526 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 tp -97.58 -25.56 15.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.061 0.457 . . . . 0.0 110.168 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.4 m -65.23 -37.6 87.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.194 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -64.23 -22.96 67.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.579 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -80.88 -19.41 44.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.975 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.13 -53.85 3.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.082 0.468 . . . . 0.0 110.446 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -87.54 54.15 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.735 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 p -97.4 -50.86 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 99.6 mttt -104.91 5.21 32.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.583 0.23 . . . . 0.0 111.205 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -64.25 -17.35 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 111.336 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -132.73 21.65 4.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 13' ' ' LYS . 34.9 mmtp -125.28 -0.66 7.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.482 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -158.12 -173.6 4.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.562 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 66.4 m95 -82.27 57.64 3.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.289 0.566 . . . . 0.0 110.27 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -95.24 -68.33 0.81 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -40.93 64.58 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.767 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -73.21 5.54 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.227 0.537 . . . . 0.0 111.097 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -85.8 12.96 7.98 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 172.732 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 69.84 32.53 3.14 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.024 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -86.93 -26.14 24.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.538 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -16.97 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.437 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -66.77 -18.98 65.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.598 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -108.1 2.14 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.0 mt -111.35 -19.59 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 17.2 tp -47.38 -56.79 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.743 -175.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.52 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 50.5 mm -63.35 -41.46 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 0.0 110.537 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.55 -36.99 82.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.228 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.04 -42.82 96.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.083 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 52.1 mt -57.7 -54.33 48.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.386 0.612 . . . . 0.0 109.938 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 30' ' ' ILE . 28.3 mt-10 -59.36 -37.14 77.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.864 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.22 -48.06 79.75 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.904 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 mp -57.56 -30.92 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.08 0.467 . . . . 0.0 111.276 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.41 -46.82 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.317 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -73.56 -37.72 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -69.97 -25.56 63.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.641 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.1 t 59.03 65.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.224 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.85 139.37 58.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.36 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.7 -173.88 14.05 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.23 -177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 39.3 mt-10 -79.88 -30.22 40.14 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 18.6 t70 70.28 -71.6 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 124.308 1.005 . . . . 0.0 110.808 -177.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.31 -166.24 1.24 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.088 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.83 -45.53 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.023 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 54.33 97.94 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.805 0.69 . . . . 0.0 111.677 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.55 54.22 2.85 Favored Glycine 0 N--CA 1.454 -0.131 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.56 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -156.78 101.84 1.99 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -175.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -65.8 156.41 33.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.232 0.539 . . . . 0.0 110.828 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -128.04 -64.33 0.96 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.579 -171.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -93.54 -10.05 36.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 0.0 110.464 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 57.07 38.03 28.96 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.133 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -150.49 -60.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m 67.97 113.66 0.04 OUTLIER 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.999 0.812 . . . . 0.0 112.383 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.95 118.28 4.65 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.27 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.78 -71.56 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.047 0.451 . . . . 0.0 110.388 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 m -77.87 -16.5 58.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.224 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.77 136.64 41.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.218 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 58.27 57.6 3.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.629 0.581 . . . . 0.0 111.04 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.7 m -83.47 127.09 33.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.05 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -78.91 139.15 38.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.9 t 64.84 -164.75 0.24 Allowed 'General case' 0 C--O 1.236 0.369 0 O-C-N 123.605 0.566 . . . . 0.0 110.006 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 60.44 48.35 7.82 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.563 0.697 . . . . 0.0 110.639 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.59 HD23 ' H ' ' A' ' 65' ' ' LEU . 2.2 pt? -131.31 148.32 69.69 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.628 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 65' ' ' LEU . 2.7 Cg_exo -76.09 84.2 1.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.698 2.266 . . . . 0.0 112.605 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' HG2' ' HG ' ' A' ' 65' ' ' LEU . 21.9 mm-40 -88.06 122.89 69.68 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.288 175.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.26 155.38 62.04 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.5 2.133 . . . . 0.0 111.898 176.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -119.12 37.79 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.304 0.573 . . . . 0.0 110.529 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.58 96.5 3.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.453 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.252 1.21 0 O-C-N 123.812 0.695 . . . . 0.0 111.69 -177.147 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 121.032 0.444 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -83.82 -17.82 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.317 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -97.83 5.9 48.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.886 0.374 . . . . 0.0 110.641 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.34 161.58 29.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.295 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 57.15 28.2 14.65 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.07 0.548 . . . . 0.0 111.615 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -104.97 -4.31 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.437 0.637 . . . . 0.0 110.032 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -79.35 -3.34 45.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.274 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 12' ' ' VAL . 13.7 ptp180 -56.81 -30.14 63.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.83 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -69.61 -12.73 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.564 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.65 -33.19 53.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.203 0.525 . . . . 0.0 109.912 176.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.0 t -85.86 -38.72 17.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.105 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 8' ' ' ARG . 45.6 t -71.22 121.19 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 121.492 0.663 . . . . 0.0 110.341 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -149.2 18.42 0.96 Allowed 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.777 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.15 -179.1 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.249 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m 65.54 30.46 10.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.191 0.52 . . . . 0.0 110.829 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -82.49 78.55 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.339 0.59 . . . . 0.0 109.62 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 t -174.11 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.899 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.479 ' HB3' HG22 ' A' ' 21' ' ' THR . 74.5 m95 -130.49 8.83 5.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.58 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.0 m 62.96 20.88 12.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.017 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.28 24.35 74.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.361 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 18' ' ' TRP . 15.3 t -62.03 -31.33 71.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.517 0.198 . . . . 0.0 111.189 -177.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -66.94 -41.46 86.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.667 0.27 . . . . 0.0 110.908 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 16.6 pttm -82.77 -26.17 32.1 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.718 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' HG12 ' A' ' 28' ' ' ILE . 80.6 ttt180 -71.14 -47.46 57.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.782 0.325 . . . . 0.0 110.458 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.88 99.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.819 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' A' ' 23' ' ' LYS . 11.3 pt20 -68.14 -32.84 73.4 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.776 0.322 . . . . 0.0 111.004 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -67.92 -46.98 70.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 24' ' ' ARG . 48.4 mm -65.66 -36.49 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.296 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 tp -52.78 -55.42 23.06 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.689 0.28 . . . . 0.0 110.514 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 48.8 mm -61.76 -43.8 97.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -66.47 -44.47 82.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.55 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 3.2 tm? -69.99 -34.87 73.9 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -176.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 66.9 mt -54.31 -64.36 0.85 Allowed 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.149 0.499 . . . . 0.0 110.523 174.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 7.4 pt-20 -60.3 -30.26 69.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.549 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.11 -44.81 94.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.486 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.3 mt -66.92 -27.47 67.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.038 0.447 . . . . 0.0 110.723 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 33' ' ' LEU . 8.9 mp -76.91 -39.16 51.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.33 177.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.6 -46.5 59.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.378 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.61 -23.3 65.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.896 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.3 t 64.24 54.41 1.6 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.202 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 m -65.15 -34.88 79.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.637 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.54 -98.14 0.11 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.35 129.64 36.91 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.381 0.61 . . . . 0.0 111.211 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -98.64 -61.69 1.34 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.71 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.9 p -175.06 65.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.837 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.3 m -72.83 -22.64 20.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.989 0.423 . . . . 0.0 110.696 -177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -148.18 63.99 1.1 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.554 0.692 . . . . 0.0 109.427 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.42 37.47 3.47 Favored Glycine 0 C--N 1.317 -0.493 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.213 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -76.79 -38.48 53.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.214 -0.493 . . . . 0.0 110.829 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HG2' ' HG2' ' A' ' 51' ' ' ARG . 62.4 tttp -160.26 -79.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.278 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HG2' ' HG2' ' A' ' 50' ' ' LYS . 40.9 mmt180 -120.75 107.32 12.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.726 177.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -81.17 -26.37 36.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -92.72 52.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.78 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -60.37 137.32 58.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.879 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t 68.3 73.53 0.29 Allowed 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.816 0.697 . . . . 0.0 110.551 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.39 -90.65 1.59 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.904 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.22 72.74 0.48 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.257 0.551 . . . . 0.0 109.904 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -146.75 21.66 1.28 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.625 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -87.01 166.96 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.136 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -88.08 47.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.619 0.723 . . . . 0.0 109.848 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -76.73 81.22 3.35 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.864 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.91 -171.89 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.817 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 m -78.65 56.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.054 0.454 . . . . 0.0 110.771 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.76 54.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.451 0.643 . . . . 0.0 110.109 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.2 mm? -92.56 142.0 25.3 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.311 -177.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 65' ' ' LEU . 5.8 Cg_exo -77.63 56.99 5.82 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.782 2.322 . . . . 0.0 111.932 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -142.29 144.0 29.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.93 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.37 142.96 30.69 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 111.986 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -99.02 -6.15 29.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.954 0.406 . . . . 0.0 110.55 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.26 134.44 20.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.521 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.539 178.608 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.629 0.252 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m -88.55 -18.55 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.826 0.346 . . . . 0.0 110.414 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.71 106.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -133.76 -68.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.948 0.404 . . . . 0.0 111.053 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -106.27 124.4 49.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.512 0.672 . . . . 0.0 111.994 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -117.71 70.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.059 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -106.16 -74.63 0.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.14 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -75.46 -24.52 56.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.777 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -83.98 -4.84 59.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.651 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.89 -30.73 15.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 110.468 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -105.86 22.8 14.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.906 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -80.0 140.46 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.022 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 57.8 tttp 66.35 19.62 10.99 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.697 0.761 . . . . 0.0 110.075 -177.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.1 t -112.69 128.42 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.927 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 t -72.6 169.22 17.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.237 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -78.72 62.97 3.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.274 -177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.6 m -90.39 -82.46 0.28 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.151 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -107.88 -8.78 15.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.095 0.474 . . . . 0.0 110.33 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.5 m -54.06 -50.32 67.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.412 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.66 -12.77 79.53 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.179 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -64.81 -45.32 86.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.033 0.444 . . . . 0.0 111.018 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -75.09 -5.1 42.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.257 0.551 . . . . 0.0 110.854 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 63.2 tttp -78.84 -25.31 44.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.015 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -65.13 -13.79 58.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.171 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.99 -4.82 43.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 28.9 pt20 -70.1 -29.29 66.22 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -137.76 78.89 1.71 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.021 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.61 -14.29 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.825 -175.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.589 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.6 mm? -51.06 -44.09 61.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.016 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.437 HD13 ' C ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -68.75 -37.33 77.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.118 0.485 . . . . 0.0 109.901 -179.125 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -66.94 -34.08 76.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.652 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.597 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.7 tp -72.6 -35.33 67.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.916 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 88.0 mt -51.68 -63.47 1.12 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.115 0.483 . . . . 0.0 111.034 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -61.93 -33.41 74.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.494 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.8 -37.33 86.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.603 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 mt -66.94 -29.38 69.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.0 -39.84 68.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.992 0.425 . . . . 0.0 109.859 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.19 -47.04 81.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.295 0.569 . . . . 0.0 109.662 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -59.04 -39.72 82.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.826 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.17 -25.27 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.5 m -78.4 -50.95 10.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.499 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.95 105.3 2.11 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.608 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -59.44 126.34 27.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.799 0.809 . . . . 0.0 112.657 -174.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -121.95 4.55 9.92 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.5 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.33 60.59 6.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.072 -174.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 m -96.55 85.19 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.163 0.506 . . . . 0.0 111.247 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 68.46 -175.77 0.2 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.426 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.3 -67.29 2.04 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.56 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 60.54 -167.33 0.18 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.255 0.55 . . . . 0.0 111.448 176.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -126.48 151.91 47.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -83.55 61.03 6.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.428 0.632 . . . . 0.0 109.829 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -60.58 -52.58 64.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.966 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 49.58 59.87 4.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.293 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -94.78 120.6 35.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.5 m -114.66 140.78 48.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.58 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.02 105.26 2.31 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.854 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.47 85.0 2.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.001 0.429 . . . . 0.0 109.91 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -144.93 -26.79 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.523 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -136.9 84.41 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.655 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -106.31 52.31 0.73 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.546 0.689 . . . . 0.0 110.626 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.4 m -113.8 83.16 1.81 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.477 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -140.24 147.21 39.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.533 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -73.66 80.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.248 0.546 . . . . 0.0 110.231 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.93 87.6 1.15 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.502 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' H ' ' A' ' 65' ' ' LEU . 3.3 mm? -57.17 121.89 50.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.445 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 6.0 Cg_exo -74.21 74.77 3.49 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.588 2.192 . . . . 0.0 110.926 173.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 33.9 mm-40 70.8 108.21 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.854 -173.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.19 130.38 39.36 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.566 2.844 . . . . 0.0 113.356 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 pttm 41.32 38.01 0.73 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.469 1.107 . . . . 0.0 112.672 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -121.74 -17.02 7.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.951 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.2 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.672 -178.322 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.739 0.304 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p -122.49 118.18 54.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.771 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 21.6 tp 61.74 24.22 14.38 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.135 177.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -98.52 67.56 1.78 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.241 0.543 . . . . 0.0 110.012 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -108.71 -10.14 15.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.263 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.87 58.98 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.262 0.553 . . . . 0.0 111.371 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 p -110.82 -85.78 0.55 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.983 174.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -76.33 -18.58 58.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.079 0.466 . . . . 0.0 110.467 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -80.37 -17.31 52.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.076 175.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.26 -30.79 18.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.318 0.58 . . . . 0.0 109.839 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.7 m -83.15 51.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.046 174.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -87.45 130.09 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.967 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -134.09 6.82 3.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.681 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 p -101.26 136.57 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.163 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m 60.0 48.0 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.85 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.06 47.83 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.666 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 t -110.43 -28.87 8.35 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -150.12 24.44 0.83 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.061 0.458 . . . . 0.0 111.077 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -81.55 64.16 6.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.881 0.372 . . . . 0.0 111.035 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.96 31.12 75.23 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.263 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.846 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 9.7 t -82.53 -29.01 30.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -171.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -75.12 -24.01 57.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -127.09 -51.32 1.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.798 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -73.77 -57.43 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.044 0.45 . . . . 0.0 111.09 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.846 ' HB3' ' HA ' ' A' ' 21' ' ' THR . . . -66.1 -32.86 74.56 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -173.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.78 -23.96 54.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.682 0.277 . . . . 0.0 111.486 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -75.66 -57.47 3.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.2 mm -124.88 -47.77 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.638 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.8 mp -56.75 -44.26 81.54 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -171.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.8 mm -55.27 -42.24 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.707 0.289 . . . . 0.0 110.487 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -66.2 -53.26 39.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.139 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.51 -33.55 69.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.128 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 83.1 mt -58.81 -66.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 111.006 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.8 -28.39 69.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.574 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -65.01 -52.93 53.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.71 -40.98 98.86 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.51 -56.54 19.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.832 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.27 -41.33 93.06 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.46 0.648 . . . . 0.0 110.813 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -54.86 -44.91 74.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.247 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 p -98.22 -34.93 10.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 m -127.9 152.19 48.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.992 0.425 . . . . 0.0 110.827 -174.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.61 162.07 15.48 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.507 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.9 131.05 49.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.959 0.409 . . . . 0.0 110.896 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -77.57 -28.61 51.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.64 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.3 m 47.82 58.19 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.544 172.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.1 t -107.15 -12.37 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 67.71 -166.07 0.2 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.096 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.7 -15.38 61.71 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.661 -177.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -137.88 66.79 1.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HD3' ' OE1' ' A' ' 52' ' ' GLN . 43.6 tttp -90.41 -69.98 0.7 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.102 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HB3' ' HB2' ' A' ' 54' ' ' HIS . 24.9 mmt180 58.2 72.84 0.5 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.341 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' OE1' ' HD3' ' A' ' 50' ' ' LYS . 1.1 mp0 -41.9 -74.04 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.66 -1.155 . . . . 0.0 113.193 -167.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -101.07 43.83 1.04 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.45 0.643 . . . . 0.0 110.468 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 15.6 m80 -135.1 -56.7 0.81 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.04 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.6 m -101.47 -49.43 4.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.26 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.47 154.21 8.44 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.78 -10.26 16.81 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.802 0.334 . . . . 0.0 111.201 -178.314 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.5 m 58.5 26.4 14.24 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.203 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.594 ' H ' HD23 ' A' ' 57' ' ' LEU . 42.5 mt-10 -102.3 139.44 37.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.843 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -103.91 50.76 0.79 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.583 0.706 . . . . 0.0 109.913 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 m -87.97 74.47 8.94 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.99 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -81.85 74.75 8.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.052 0.929 . . . . 0.0 110.298 177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -172.11 -36.85 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.015 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.26 67.2 0.79 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.684 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 65' ' ' LEU . 2.2 pt? -150.28 118.07 3.56 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.276 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.29 54.43 3.78 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.849 2.366 . . . . 0.0 111.483 177.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -108.73 103.52 51.81 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.177 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.24 87.05 0.62 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.71 2.273 . . . . 0.0 111.658 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -133.44 24.85 4.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.641 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.41 44.16 21.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.741 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.2 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.114 177.92 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.867 0.365 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.0 t -80.59 -69.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.897 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 4' ' ' ARG . 3.3 tt -147.02 126.6 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.91 0.386 . . . . 0.0 110.208 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.421 ' N ' HD23 ' A' ' 3' ' ' LEU . 3.3 mpt_? -112.28 112.26 23.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.113 175.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -78.88 146.5 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.962 0.411 . . . . 0.0 110.573 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.28 39.94 1.42 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.186 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -72.47 -22.28 61.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.144 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -72.87 -15.53 61.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.574 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -72.87 67.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.244 0.545 . . . . 0.0 110.901 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.29 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.237 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.5 m -148.44 47.4 1.04 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.758 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.18 139.99 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.904 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -118.06 -8.59 10.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.929 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.59 147.44 7.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.028 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 m -107.25 105.99 16.23 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.734 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -119.38 148.02 43.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.264 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.9 p -95.43 -166.05 1.39 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.878 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.55 ' HB2' ' HB ' ' A' ' 21' ' ' THR . 3.5 m-90 -87.62 24.95 1.57 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.676 0.274 . . . . 0.0 110.946 176.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 t 72.76 -72.4 0.12 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.763 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.13 27.05 10.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.438 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.55 ' HB ' ' HB2' ' A' ' 18' ' ' TRP . 5.4 t -75.24 -13.33 60.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.157 0.503 . . . . 0.0 110.752 -178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -78.44 27.69 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.354 0.597 . . . . 0.0 109.662 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' A' ' 21' ' ' THR . 45.9 mmtm 65.58 28.84 11.26 Favored 'General case' 0 CA--C 1.523 -0.061 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.023 175.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 26.4 tpt180 -89.16 -71.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.243 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.64 -31.6 46.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.799 0.333 . . . . 0.0 110.649 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.98 -25.7 65.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 30.2 ptt180 -68.06 -17.07 64.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.076 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.4 mm -103.24 -47.74 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.844 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.1 tp -53.48 -49.69 66.95 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.549 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 47.8 mm -69.67 -40.15 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.47 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.23 -44.32 97.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.312 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.98 -40.74 83.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.705 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 3.6 pp -66.75 -42.18 86.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.045 -175.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 10.5 pt-20 -72.0 -36.92 69.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 0.0 110.757 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.96 -45.23 86.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.348 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.56 -38.27 89.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.252 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 94.1 mt -62.49 -48.01 81.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.014 0.435 . . . . 0.0 110.504 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -68.59 -45.92 70.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.085 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -54.87 -44.41 74.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.301 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.3 m -77.44 -62.88 1.52 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.868 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.3 p -95.93 109.49 21.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.262 0.553 . . . . 0.0 111.059 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.83 47.26 0.82 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.256 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.21 -35.08 77.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.115 0.483 . . . . 0.0 110.403 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.03 -31.19 72.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.126 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.0 m -120.08 37.34 4.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.27 -27.9 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.294 0.568 . . . . 0.0 109.85 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.1 139.77 40.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.45 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.29 2.5 88.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 0.0 113.281 -174.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HA ' ' NH1' ' A' ' 51' ' ' ARG . 59.4 mttp 55.97 51.21 12.42 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.001 0.429 . . . . 0.0 110.164 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -52.98 -52.36 58.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.305 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.522 ' NH1' ' HA ' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -60.87 -19.33 59.94 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -178.681 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -103.17 3.84 36.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.982 0.42 . . . . 0.0 110.718 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 49.34 44.74 23.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.704 -174.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 75.41 -65.23 0.34 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.787 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.6 m -115.33 105.31 12.72 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.256 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.59 -91.78 0.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.48 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -167.14 -33.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.8 t 40.21 78.33 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.279 0.987 . . . . 0.0 111.898 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -72.9 53.98 0.36 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.076 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -89.13 42.71 1.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.937 0.875 . . . . 0.0 109.502 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.9 t -130.46 165.53 22.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.207 -175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -128.38 132.19 48.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.103 0.478 . . . . 0.0 110.891 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.3 t -119.04 127.18 53.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.085 174.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' C ' HD12 ' A' ' 65' ' ' LEU . . . -75.4 -18.67 59.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.304 0.574 . . . . 0.0 109.915 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 64' ' ' ALA . 7.2 mp -122.77 81.13 49.03 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.578 175.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.07 90.97 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.813 2.342 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 56.79 76.81 0.46 Allowed Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.373 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.65 67.28 7.3 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.792 2.328 . . . . 0.0 112.618 -176.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -86.28 -50.95 6.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 179.77 138.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.99 0.516 . . . . 0.0 109.809 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.405 HG23 ' OXT' ' A' ' 71' ' ' THR . 7.1 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.306 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 95.1 mmm . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 p -138.68 131.93 39.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.045 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -149.46 141.75 24.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.073 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -126.84 57.69 1.44 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.938 0.399 . . . . 0.0 110.672 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -143.09 168.63 19.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.866 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.22 -32.75 74.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.713 0.292 . . . . 0.0 110.641 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.3 p 49.86 -98.53 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.964 0.906 . . . . 0.0 112.215 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.658 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 21.6 ptt180 -78.54 -10.8 59.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.451 . . . . 0.0 111.408 -176.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -87.62 -7.8 57.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.51 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.13 -64.09 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 m -86.34 55.17 3.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.332 0.587 . . . . 0.0 110.1 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.658 ' HB ' ' O ' ' A' ' 8' ' ' ARG . 6.0 p -94.89 130.16 44.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.789 -177.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -85.79 -29.95 23.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.222 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.63 84.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.836 0.827 . . . . 0.0 111.507 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 t -158.1 69.6 0.53 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.049 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -143.77 77.29 1.55 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.836 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -113.0 -24.83 9.28 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.325 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -81.3 -8.65 59.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.148 0.499 . . . . 0.0 110.83 -175.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -73.57 -24.98 60.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.182 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.52 67.31 0.2 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 m -61.94 -71.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -170.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 4.6 tmmm? -63.97 -22.96 67.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.459 0.647 . . . . 0.0 109.455 -178.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -69.57 -47.04 64.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.049 -178.576 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HB2' HD12 ' A' ' 28' ' ' ILE . 12.4 ptt180 -90.2 -26.81 19.93 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.834 -177.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -69.37 -19.21 63.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 111.182 -177.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 11.4 pt20 -76.06 -10.61 59.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -132.62 -56.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.468 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.453 HD12 ' HB2' ' A' ' 24' ' ' ARG . 63.0 mt -63.57 -54.62 30.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -176.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.721 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.6 mm? -64.37 -24.61 67.7 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.008 -176.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.5 mm -72.8 -42.25 61.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.197 0.522 . . . . 0.0 109.687 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -66.31 -35.58 80.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.255 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.99 -29.53 67.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.029 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 88.6 mt -60.16 -64.52 0.92 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.332 0.587 . . . . 0.0 110.151 175.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.24 -31.13 67.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.08 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -66.23 -46.49 76.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.688 0.28 . . . . 0.0 110.459 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.07 -42.35 89.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.829 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 41' ' ' THR . 4.1 mm? -60.08 -44.04 95.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.783 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.25 -46.57 86.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.567 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -54.3 -65.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.315 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -178.21 53.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.405 ' HA ' HD13 ' A' ' 37' ' ' LEU . 27.7 m 71.57 -51.62 0.69 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.857 -173.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.08 -176.43 45.19 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -97.03 123.78 40.85 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 117.423 0.612 . . . . 0.0 110.261 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.28 -38.05 2.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.5 t 57.65 62.64 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.277 0.56 . . . . 0.0 110.13 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.9 t -71.39 -34.72 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.171 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -109.11 152.53 24.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.976 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -112.8 54.11 0.56 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.406 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.72 126.13 26.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.98 0.419 . . . . 0.0 110.35 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 60.9 mttp -123.97 -170.12 2.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -177.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 1' ' ' MET . 38.5 mmt180 -107.97 112.48 25.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.839 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -72.49 -40.46 66.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.118 0.485 . . . . 0.0 110.502 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 62.32 10.02 3.63 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.267 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -140.64 10.61 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.014 0.435 . . . . 0.0 110.254 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -124.8 93.35 3.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.54 -175.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.75 -105.15 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.689 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.2 mm? 47.28 65.66 1.2 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.817 0.818 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.3 t -152.44 61.67 0.82 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.321 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 61.98 62.04 1.28 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.992 -174.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -128.46 49.07 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.16 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.3 m -88.26 111.32 21.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.903 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -57.63 114.44 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.147 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -80.73 64.38 5.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.355 0.598 . . . . 0.0 110.169 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.38 45.83 2.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.655 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -88.9 123.74 66.89 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.141 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.89 129.08 27.56 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.475 2.117 . . . . 0.0 111.199 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.446 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 10.6 pt-20 -57.76 128.29 80.03 Favored Pre-proline 0 C--N 1.331 -0.23 0 O-C-N 123.257 0.348 . . . . 0.0 111.291 -176.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 31.4 Cg_exo -60.16 101.31 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.877 2.385 . . . . 0.0 111.883 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -114.12 13.84 18.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.413 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.12 102.84 3.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.131 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.22 -179.602 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.272 0.558 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.2 t -128.26 -50.76 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.505 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.7 mt -74.69 114.27 12.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.487 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.61 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 3.2 mmp_? -123.69 -61.15 1.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -130.07 -65.49 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.161 0.505 . . . . 0.0 110.655 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.92 35.16 1.38 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.674 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 m -48.66 -55.43 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.783 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -98.7 -19.46 17.49 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.862 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.94 -31.46 66.84 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.728 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.69 -6.02 56.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.477 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -129.77 21.19 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 111.09 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.81 -55.17 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.248 0.547 . . . . 0.0 109.582 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -124.64 -63.19 1.2 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.476 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 18' ' ' TRP . 10.9 p -172.88 154.31 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.601 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.6 t -130.73 87.89 2.55 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 69.63 168.04 0.29 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.2 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.43 ' O ' ' HB ' ' A' ' 21' ' ' THR . 0.4 OUTLIER 74.24 -6.28 1.9 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.798 177.025 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.46 ' HB2' HG21 ' A' ' 14' ' ' VAL . 60.2 t-105 -71.49 -6.19 38.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.485 0.66 . . . . 0.0 110.611 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -74.88 -19.42 60.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.44 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.518 ' O ' HG22 ' A' ' 21' ' ' THR . . . -164.52 -46.19 0.02 OUTLIER Glycine 0 CA--C 1.507 -0.439 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.698 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 20' ' ' GLY . 5.7 t 56.87 2.87 0.11 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.305 1.442 . . . . 0.0 113.917 174.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt 54.18 32.98 17.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 0.0 110.642 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.6 mmtm 70.11 4.32 4.78 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.258 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 74.1 mtp180 -64.7 -50.92 65.05 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.417 -0.177 . . . . 0.0 111.42 -177.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.49 ' HB3' HG21 ' A' ' 21' ' ' THR . . . -55.42 -32.7 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -73.82 -27.72 61.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.454 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 37.2 ptt180 -89.34 -22.96 22.37 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' ' 24' ' ' ARG . 43.4 mm -61.37 -32.4 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.813 173.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 25' ' ' ALA . 70.7 mt -55.79 -35.59 66.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.57 176.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.781 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.4 mp -84.68 -43.33 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.934 177.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.63 -40.49 72.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.907 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -36.08 83.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.464 -178.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.781 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 3.6 pp -74.2 -34.59 63.78 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.094 -178.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 30' ' ' ILE . 37.6 mt-10 -69.01 -43.64 74.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.925 175.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.76 -45.44 93.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.141 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.71 -46.75 70.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.033 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.81 -53.75 41.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.345 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -57.86 -49.07 77.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.532 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -57.67 -48.0 80.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.05 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.2 m -72.34 -26.01 61.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.676 0.274 . . . . 0.0 110.662 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.3 m 70.34 -69.2 0.18 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.786 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.63 111.95 1.13 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.591 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.19 129.64 34.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.248 0.547 . . . . 0.0 111.42 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -123.53 -67.16 0.95 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.114 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 m 57.95 34.87 24.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.527 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.2 t -99.74 -39.99 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.258 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -117.24 61.02 0.75 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.298 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.4 59.47 4.04 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.858 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -78.35 -51.93 9.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -86.7 170.4 11.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.873 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 52.64 32.89 12.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.401 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -86.1 -74.19 0.43 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.951 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -147.88 29.87 0.9 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.04 0.447 . . . . 0.0 110.814 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -136.95 142.0 42.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.488 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.1 p -135.8 117.62 15.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.728 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.08 159.01 27.81 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.764 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 pp -85.21 -24.34 27.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.13 0.49 . . . . 0.0 110.329 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 61' ' ' THR . 3.2 m -73.55 -9.26 58.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.906 178.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -75.73 132.24 40.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.002 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 59.24 49.05 9.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.187 0.517 . . . . 0.0 110.816 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 58' ' ' THR . 3.3 p -54.56 -70.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.749 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -97.09 59.56 1.64 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.735 0.779 . . . . 0.0 109.316 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.8 m -149.65 167.84 25.26 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.304 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 55.92 68.89 0.8 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.509 0.506 . . . . 0.0 110.589 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.27 119.02 20.58 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.624 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.83 117.17 2.56 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.391 2.727 . . . . 0.0 112.992 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.55 138.31 93.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.988 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.83 105.17 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.772 2.314 . . . . 0.0 111.761 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -131.41 37.04 3.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.689 0.757 . . . . 0.0 109.874 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.77 46.01 1.13 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.186 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.585 177.508 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.982 0.42 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 p -87.59 135.04 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.096 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' HB3' ' HA ' ' A' ' 7' ' ' SER . 68.1 mt -81.63 56.38 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.439 . . . . 0.0 111.158 -177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' HG3' ' HG3' ' A' ' 5' ' ' GLN . 37.5 ptt180 -89.93 -19.06 24.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.776 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.446 ' HG3' ' HG3' ' A' ' 4' ' ' ARG . 78.0 mt-30 -106.65 -48.49 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.896 0.379 . . . . 0.0 110.462 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.01 93.81 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.216 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' A' ' 3' ' ' LEU . 7.4 m -85.39 -52.21 6.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.766 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -108.13 -23.59 11.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.052 0.453 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 99.4 mttt -91.55 23.77 3.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.015 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.67 -35.98 12.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.1 t -87.67 -57.52 2.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.861 175.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 9' ' ' LYS . 37.5 t -97.95 114.65 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-O 121.367 0.603 . . . . 0.0 109.907 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -115.29 -7.7 12.34 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.679 -175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.7 t 68.93 -70.06 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.23 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -119.1 120.18 36.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.122 0.487 . . . . 0.0 110.664 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -130.27 53.16 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.554 0.692 . . . . 0.0 109.598 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.559 HG22 ' CD1' ' A' ' 18' ' ' TRP . 43.4 m -148.61 133.44 17.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.266 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CD1' HG22 ' A' ' 17' ' ' THR . 90.1 m95 64.72 11.48 6.85 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.544 0.528 . . . . 0.0 110.751 -178.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -73.72 93.54 2.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.547 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.85 -30.04 9.03 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.121 -0.561 . . . . 0.0 111.761 -177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 40.23 -91.54 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.76 1.224 . . . . 0.0 113.169 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.04 -36.1 74.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.939 0.399 . . . . 0.0 110.682 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -83.25 6.26 20.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.262 0.553 . . . . 0.0 110.228 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -110.98 -48.58 3.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.558 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -66.17 -59.97 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.974 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.31 -35.67 78.0 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.792 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -53.34 -55.82 21.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.159 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.19 -41.56 89.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.777 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 25' ' ' ALA . 86.3 mt -57.2 -54.1 50.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.017 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.559 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.8 mp -65.25 -43.68 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.585 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.14 -39.57 82.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 67.8 tp -84.62 -37.74 20.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.85 -175.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 3.5 pp -63.12 -41.2 99.29 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.742 -175.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 10.2 pt-20 -69.79 -33.11 71.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.981 0.419 . . . . 0.0 110.658 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -66.85 -45.17 79.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.285 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.3 mt -60.39 -37.62 81.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.942 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 77.9 mt -77.36 -2.59 35.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.391 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -112.26 -49.63 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.314 0.578 . . . . 0.0 110.365 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.95 -37.43 82.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.96 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -149.87 78.23 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 37' ' ' LEU . 15.3 t -84.18 -179.47 7.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.586 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.69 -154.16 17.13 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.73 -66.57 0.69 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.979 0.39 . . . . 0.0 110.808 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.6 t70 54.03 55.44 8.31 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.819 0.819 . . . . 0.0 109.986 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -71.88 89.36 1.07 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.842 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.05 -28.08 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.43 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -122.87 137.7 54.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.916 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.62 4.66 85.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.482 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 65.85 121.45 0.02 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.514 0.726 . . . . 0.0 111.026 -177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 50' ' ' LYS . 13.9 tmtt? -53.75 125.34 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.169 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -62.93 118.65 8.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.647 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -81.44 -9.55 59.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.898 174.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 41.65 58.18 2.83 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.964 0.905 . . . . 0.0 112.885 173.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -131.73 136.8 47.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.849 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 p -73.79 91.17 1.92 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.191 0.519 . . . . 0.0 111.024 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.2 -179.0 29.95 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.66 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -126.04 -60.39 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 p -88.5 -44.0 11.01 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.525 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' OE2' ' HA ' ' A' ' 63' ' ' SER . 41.7 tt0 -105.52 83.68 1.98 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.391 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -93.06 47.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.319 -171.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.5 m -137.51 -72.36 0.43 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.973 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -160.54 146.3 14.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.412 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 27.2 p -62.01 99.59 0.13 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.154 0.502 . . . . 0.0 110.788 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.67 74.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.437 0.637 . . . . 0.0 110.833 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.81 119.18 76.39 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.138 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.06 101.17 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.393 2.062 . . . . 0.0 110.36 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 6.4 mm-40 63.7 85.89 0.16 Allowed Pre-proline 0 C--O 1.233 0.203 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -171.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.64 88.74 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.279 2.653 . . . . 0.0 113.365 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 79.0 mttt -82.09 -28.08 32.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 175.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.03 143.98 22.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.866 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.329 -177.529 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mtm . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.614 0.245 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.547 HG12 ' H ' ' A' ' 4' ' ' ARG . 66.4 t 70.61 112.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.139 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.8 mp -93.53 28.29 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.473 0.654 . . . . 0.0 110.242 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.547 ' H ' HG12 ' A' ' 2' ' ' VAL . 4.5 tpt180 -135.42 43.42 2.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.379 -177.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -80.45 -64.6 1.15 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.975 -175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -77.89 -25.88 48.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.987 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 t -77.71 52.87 1.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.239 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 3.0 ppt_? -172.24 -32.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.137 176.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 8' ' ' ARG . 14.8 ptmm? -87.98 4.4 45.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.17 -10.98 26.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.887 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -163.83 63.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.345 0.593 . . . . 0.0 110.345 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 14' ' ' VAL . 12.9 p -108.82 -33.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.927 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? 37.44 68.64 0.28 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.573 1.149 . . . . 0.0 113.029 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.525 HG23 HG22 ' A' ' 12' ' ' VAL . 83.9 t -122.65 -24.45 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.728 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.4 p -77.51 53.86 1.11 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -172.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -175.0 150.64 1.23 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -112.83 -13.87 13.14 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.608 0.718 . . . . 0.0 109.22 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 55.92 27.38 11.0 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.555 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -131.44 121.66 24.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.542 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 38.0 13.6 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.789 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -90.89 8.22 36.09 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 58.32 32.55 22.2 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.943 -171.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 8.9 ptpp? 44.96 26.61 0.22 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.982 -175.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.82 -58.79 5.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.916 0.389 . . . . 0.0 110.948 -172.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.6 24.64 0.84 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.889 -174.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.463 ' O ' HG12 ' A' ' 30' ' ' ILE . 3.9 pt20 -129.64 -40.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.715 174.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 14.9 ptm180 -75.25 -30.35 60.47 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.584 -0.447 . . . . 0.0 111.129 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.9 mt -65.02 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.976 0.417 . . . . 0.0 110.229 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.8 mp -65.31 -40.73 94.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.534 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 26' ' ' GLN . 51.5 mm -65.85 -41.73 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.41 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.07 -42.42 97.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.469 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.99 -37.77 83.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.525 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 91.4 mt -56.26 -65.45 0.6 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.266 0.555 . . . . 0.0 110.781 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.87 -31.42 69.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.818 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -70.82 -53.9 13.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.929 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB3' ' HA3' ' A' ' 42' ' ' GLY . 72.3 mt -64.95 -38.58 91.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.536 -176.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -76.22 -20.36 57.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 -178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -83.23 -41.96 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -57.86 -53.03 62.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.226 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -174.43 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 p -135.43 -45.4 0.69 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.083 0.468 . . . . 0.0 110.296 173.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' A' ' 36' ' ' LEU . . . 112.6 170.02 17.95 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.67 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -63.94 159.05 20.71 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.927 0.394 . . . . 0.0 110.589 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.62 43.45 1.06 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m 59.64 82.22 0.16 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.708 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.8 m -63.05 -34.61 67.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.429 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t70 49.05 86.1 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.155 0.91 . . . . 0.0 112.198 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.44 56.03 3.51 Favored Glycine 0 C--N 1.316 -0.568 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.625 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -92.57 -82.07 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.934 0.397 . . . . 0.0 110.191 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -70.26 130.38 41.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.292 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -87.61 157.03 19.22 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.163 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.25 -67.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.898 0.38 . . . . 0.0 111.212 -175.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.3 51.43 2.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.441 0.638 . . . . 0.0 110.354 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -70.52 -18.41 62.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.553 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t -129.1 159.15 36.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.563 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.32 110.08 0.61 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.829 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.35 -69.06 0.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.382 0.611 . . . . 0.0 110.159 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -91.15 39.46 0.99 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.651 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 54.28 -160.38 0.15 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.437 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -124.59 58.28 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.3 p -77.03 -171.58 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.369 -175.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 66' ' ' PRO . 45.9 t80 -50.84 110.73 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.404 0.621 . . . . 0.0 111.347 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 m -98.98 176.39 5.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.734 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 66.31 92.1 0.08 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.777 0.673 . . . . 0.0 111.437 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.1 mt 56.12 67.26 2.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.292 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.438 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 35.2 Cg_exo -62.45 135.75 55.22 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.556 2.17 . . . . 0.0 111.254 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.91 118.75 74.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.019 0.438 . . . . 0.0 111.46 -176.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -91.86 72.81 0.72 Allowed 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 123.043 2.495 . . . . 0.0 111.85 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.78 -39.26 66.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.354 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 65.85 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.612 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.028 -178.908 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.796 0.331 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -85.93 149.71 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.152 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.7 pt? -72.96 -179.71 3.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.195 177.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 4' ' ' ARG . 61.5 ttt180 69.35 16.73 8.31 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.749 0.785 . . . . 0.0 109.878 -175.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 3.9 pt20 -87.79 -6.9 57.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.616 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.48 -0.33 56.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.407 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m -86.94 -33.0 19.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.519 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 38.1 ptt180 -73.44 -13.11 61.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.662 -176.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -60.46 -21.35 62.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.135 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.38 -4.58 57.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.275 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 m -146.78 31.42 0.96 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.033 0.444 . . . . 0.0 110.602 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.4 p -101.39 -20.93 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.298 0.571 . . . . 0.0 110.327 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.14 -21.26 12.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.811 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.0 t -59.07 113.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.702 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 19' ' ' SER . 46.9 m 55.71 38.02 29.59 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.821 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -134.71 70.34 1.44 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.42 0.628 . . . . 0.0 110.736 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 t -147.63 -42.21 0.17 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.784 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -133.34 17.58 4.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.071 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' A' ' 15' ' ' SER . 23.7 t -126.03 128.41 47.38 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.271 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.97 36.31 85.97 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.059 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -145.82 -41.11 0.22 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.666 0.27 . . . . 0.0 110.562 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -70.74 -49.35 47.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.427 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 26' ' ' GLN . 96.4 mttt -82.84 -27.96 30.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.403 0.62 . . . . 0.0 110.151 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -69.8 -26.03 64.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.94 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.13 -11.96 45.44 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 23' ' ' LYS . 13.9 pt20 -102.74 -2.84 27.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.241 0.543 . . . . 0.0 109.798 175.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -137.48 40.74 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.378 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.99 -41.87 81.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.706 -177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.88 -35.85 81.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 110.833 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.706 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.1 mp -70.88 -47.71 61.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.043 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -59.95 -33.22 71.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.228 0.537 . . . . 0.0 109.868 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 8.1 tt -65.2 -42.65 93.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.632 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 3.3 pp -70.2 -33.53 71.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.073 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 30' ' ' ILE . 38.3 mt-10 -62.69 -39.47 94.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.289 0.566 . . . . 0.0 109.758 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -63.49 -40.95 98.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.244 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.4 mt -60.34 -39.95 88.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 110.572 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 74.6 mt -72.54 -38.92 67.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.686 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.08 -49.83 40.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -66.86 -17.34 64.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.661 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 23.0 t 68.84 46.52 0.88 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.229 176.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.8 p -62.73 143.07 57.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.61 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.19 2.48 26.42 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.656 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 40' ' ' CYS . 17.3 mm-40 -57.12 -52.19 66.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.222 0.534 . . . . 0.0 110.058 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -102.75 97.38 7.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.514 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.5 t -134.38 69.41 1.46 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.695 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.7 m -109.04 -28.0 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.314 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.7 t70 68.93 -8.66 0.64 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.104 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.58 7.37 53.88 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -113.87 -178.04 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -84.36 -82.69 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 58.58 101.5 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.145 0.578 . . . . 0.0 112.522 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -61.38 -26.84 68.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.543 -176.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -75.79 -9.88 58.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -105.24 136.17 45.25 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t 73.66 -43.84 0.56 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.84 0.712 . . . . 0.0 110.538 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.39 172.38 21.5 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.826 174.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.07 -72.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.154 0.502 . . . . 0.0 109.649 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.0 p -96.18 7.31 46.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.951 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.2 104.88 5.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.378 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -158.54 85.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.71 0.767 . . . . 0.0 109.94 -175.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.0 m -54.35 119.41 5.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.15 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -89.38 154.17 20.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.392 . . . . 0.0 109.989 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.0 t -155.39 61.79 0.62 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.205 0.526 . . . . 0.0 110.146 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.58 21.35 12.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.0 mt 63.89 84.47 0.18 Allowed Pre-proline 0 N--CA 1.463 0.192 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.46 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -79.14 53.22 4.61 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.888 2.392 . . . . 0.0 112.078 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.18 113.37 58.95 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.585 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.56 153.24 79.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.745 2.297 . . . . 0.0 111.926 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -109.7 20.27 18.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.666 -177.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 55.85 43.68 27.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.267 0.556 . . . . 0.0 111.395 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.221 -179.01 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t 68.12 105.63 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 O-C-N 123.504 0.502 . . . . 0.0 109.982 -175.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.5 mt 63.28 68.9 0.59 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.524 -173.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -59.43 134.57 57.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.432 -174.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 58.88 97.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.976 0.798 . . . . 0.0 111.981 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.9 mt -84.89 67.52 10.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.061 0.458 . . . . 0.0 110.444 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m -95.3 -76.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.088 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -76.5 -26.29 55.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 110.21 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -73.94 -5.52 41.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 176.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.08 -31.7 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.293 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -67.66 -32.6 73.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.443 0.64 . . . . 0.0 110.225 176.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.38 138.16 39.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.613 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.45 -45.26 26.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.411 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 p -165.87 132.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.696 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t 60.49 86.02 0.1 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.219 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -76.32 -23.41 54.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.859 0.838 . . . . 0.0 108.798 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 19' ' ' SER . 52.8 m -142.9 152.23 41.87 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -78.51 39.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.425 0.631 . . . . 0.0 110.598 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 17' ' ' THR . 40.9 m -150.9 122.25 7.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.448 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.19 -119.8 6.03 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.76 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.7 t 44.43 42.6 5.56 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.067 0.947 . . . . 0.0 112.696 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.2 tttt 53.31 37.71 26.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.847 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 65.23 12.64 8.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.051 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -83.49 48.73 1.45 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.668 0.747 . . . . 0.0 110.14 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.14 -57.18 0.07 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.676 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.91 -38.38 90.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.161 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -75.35 -31.42 60.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.499 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.476 ' HA ' ' HB3' ' A' ' 31' ' ' PHE . 41.7 mt -65.96 -26.19 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.595 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.18 -36.16 76.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.042 0.448 . . . . 0.0 110.58 175.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.641 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 2.6 mp -85.01 -43.34 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.809 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' A' ' 28' ' ' ILE . 75.5 t80 -55.69 -37.91 68.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.575 176.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.3 tp -60.7 -47.67 85.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.958 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 3.3 pp -64.69 -39.24 93.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.869 -174.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.29 -30.82 54.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.075 0.464 . . . . 0.0 110.596 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -71.24 -36.68 71.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.356 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.1 mt -64.64 -34.85 79.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.847 0.356 . . . . 0.0 110.776 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 33' ' ' LEU . 4.6 mm? -83.24 8.31 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.765 0.316 . . . . 0.0 111.002 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -120.58 -50.25 2.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.41 0.624 . . . . 0.0 110.08 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -66.0 -42.74 89.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.696 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 p -121.97 63.22 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.329 0.585 . . . . 0.0 110.97 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 m -86.87 -37.49 17.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.25 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.09 -54.12 0.66 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -114.69 145.72 41.72 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -88.91 -55.72 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.066 0.46 . . . . 0.0 110.917 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.485 ' HB2' ' NE2' ' A' ' 52' ' ' GLN . 45.3 m -148.72 131.85 16.36 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.17 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.6 -38.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.34 0.59 . . . . 0.0 109.851 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -141.68 -179.88 6.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.72 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.13 -10.36 8.8 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.07 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttm 54.49 59.05 4.38 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.249 0.547 . . . . 0.0 110.622 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 51' ' ' ARG . 58.0 tttp -112.28 166.91 10.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.856 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -70.29 75.75 0.53 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.323 -179.24 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' A' ' 45' ' ' SER . 81.9 mm-40 -81.63 -72.64 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -106.71 -23.26 12.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.33 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -148.46 153.85 39.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.502 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.7 t -95.15 -50.57 5.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.455 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.44 -139.69 6.87 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.901 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 58.44 66.84 1.02 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.545 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.4 p -95.96 3.99 53.06 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.363 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -121.73 123.76 42.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.255 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 59.13 48.25 10.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.594 0.712 . . . . 0.0 109.947 -176.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.6 m -75.41 -63.46 1.28 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.582 -175.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -98.87 21.81 11.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.393 0.616 . . . . 0.0 110.488 -173.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 p -88.88 -3.4 58.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.365 0.603 . . . . 0.0 110.112 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.2 68.91 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.304 174.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tt -56.87 115.96 11.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.016 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.95 117.23 4.97 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.645 2.23 . . . . 0.0 111.428 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 70.05 103.82 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.828 0.705 . . . . 0.0 111.431 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.48 61.43 5.2 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -95.08 20.08 9.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.357 0.599 . . . . 0.0 110.459 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.58 22.37 5.95 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.671 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.551 -178.516 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.668 0.27 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.79 -51.4 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.589 0.233 . . . . 0.0 110.638 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.5 tp -70.19 123.33 21.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.409 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -133.33 73.47 1.52 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.186 0.517 . . . . 0.0 110.645 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 47.7 mt-30 -71.49 104.96 3.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.947 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -63.2 -23.35 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 0.0 110.461 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.1 p -63.06 -27.91 69.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.003 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 10.3 ptm180 -75.43 -28.47 59.37 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.951 -175.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -93.08 -24.51 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 14' ' ' VAL . . . -68.13 -23.25 64.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.605 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.7 t -79.35 -17.66 54.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.449 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -103.43 -67.5 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -97.07 -15.49 20.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.777 -176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 41.3 t 71.09 -67.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.104 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.8 m 57.83 82.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.475 0.655 . . . . 0.0 111.717 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -87.12 50.97 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.932 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.7 m -64.97 -69.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.213 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -112.36 -8.54 13.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.497 0.665 . . . . 0.0 109.234 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.7 m -70.72 84.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.913 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.51 56.52 3.6 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.638 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -125.07 -25.91 3.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.655 -0.32 . . . . 0.0 111.647 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -74.39 -45.6 45.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.773 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.588 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 86.7 tttt -119.65 -33.68 3.97 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.811 -176.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.483 ' O ' HG12 ' A' ' 28' ' ' ILE . 31.9 tpt180 -68.72 -31.19 70.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.687 0.279 . . . . 0.0 111.144 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.65 70.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 25.1 pt20 -62.02 -28.33 69.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.686 0.279 . . . . 0.0 110.823 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -98.58 -18.48 18.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.907 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 24' ' ' ARG . 47.6 mm -63.52 -32.4 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -59.26 -51.15 71.2 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.543 174.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 2.1 mp -64.92 -42.42 94.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.292 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.76 -37.57 71.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.552 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.09 -43.79 90.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.823 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 49.9 mt -62.11 -58.93 5.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.637 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 11.5 pt-20 -62.21 -27.81 69.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.961 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.04 -45.12 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.344 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.51 -35.57 78.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.05 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mp -72.3 -53.32 12.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.49 -38.97 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.861 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.11 -33.69 74.93 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.171 0.51 . . . . 0.0 110.335 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.7 t -72.34 -32.62 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.238 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -72.42 -47.69 47.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.582 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.07 -153.11 14.73 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.968 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -83.24 150.45 26.18 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.919 0.39 . . . . 0.0 110.999 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.78 -8.14 14.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.262 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.0 m -112.15 87.68 2.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.178 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.6 m -81.44 82.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.07 0.938 . . . . 0.0 110.897 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -127.43 110.0 12.33 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.001 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.78 38.92 3.02 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.86 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -80.65 121.14 25.48 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -83.26 171.95 13.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.835 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 61.71 -175.33 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.626 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -78.06 -73.18 0.33 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.259 0.552 . . . . 0.0 109.684 174.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.15 17.13 1.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.773 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -178.39 145.1 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.321 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.6 m -83.86 -22.24 31.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.141 0.496 . . . . 0.0 111.476 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.471 ' HA2' ' HB3' ' A' ' 59' ' ' GLU . . . 73.45 38.86 51.89 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.574 -0.739 . . . . 0.0 113.947 169.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.92 -76.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.121 0.46 . . . . 0.0 111.012 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 t -80.0 1.11 28.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.318 0.58 . . . . 0.0 110.937 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.471 ' HB3' ' HA2' ' A' ' 56' ' ' GLY . 46.1 tt0 -78.95 87.32 4.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.128 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -111.84 51.06 0.81 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.787 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.4 m -96.89 96.85 8.82 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.609 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -86.91 48.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.089 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -80.0 -52.35 7.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.053 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 53.56 52.2 13.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.418 0.628 . . . . 0.0 111.073 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.6 mt -139.71 154.15 70.78 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.766 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.09 57.48 3.98 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.889 2.393 . . . . 0.0 111.661 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 9.5 pt-20 -70.84 122.19 86.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.41 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 16.3 Cg_exo -68.15 96.28 0.46 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.577 2.185 . . . . 0.0 111.432 175.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -77.25 -67.87 0.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.035 0.445 . . . . 0.0 110.642 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.76 -36.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.724 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.357 -179.501 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 120.859 0.361 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -173.54 -37.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.877 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tt 52.73 71.82 0.46 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.231 0.539 . . . . 0.0 110.084 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -128.04 30.55 5.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.303 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.7 -46.03 74.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.526 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 tp -97.58 -25.56 15.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.061 0.457 . . . . 0.0 110.168 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.4 m -65.23 -37.6 87.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.194 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -64.23 -22.96 67.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.579 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -80.88 -19.41 44.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.975 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.13 -53.85 3.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.082 0.468 . . . . 0.0 110.446 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -87.54 54.15 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.735 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 p -97.4 -50.86 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 99.6 mttt -104.91 5.21 32.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.583 0.23 . . . . 0.0 111.205 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -64.25 -17.35 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 111.336 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -132.73 21.65 4.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 13' ' ' LYS . 34.9 mmtp -125.28 -0.66 7.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.482 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -158.12 -173.6 4.42 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.562 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 66.4 m95 -82.27 57.64 3.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.289 0.566 . . . . 0.0 110.27 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -95.24 -68.33 0.81 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -40.93 64.58 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.767 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -73.21 5.54 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.227 0.537 . . . . 0.0 111.097 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -85.8 12.96 7.98 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 172.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 69.84 32.53 3.14 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.024 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -86.93 -26.14 24.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.538 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -16.97 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.437 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -66.77 -18.98 65.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.598 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -108.1 2.14 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.0 mt -111.35 -19.59 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 17.2 tp -47.38 -56.79 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.743 -175.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.52 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 50.5 mm -63.35 -41.46 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 0.0 110.537 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.55 -36.99 82.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.228 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.04 -42.82 96.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.083 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 52.1 mt -57.7 -54.33 48.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.386 0.612 . . . . 0.0 109.938 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 30' ' ' ILE . 28.3 mt-10 -59.36 -37.14 77.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.864 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.22 -48.06 79.75 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.904 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 mp -57.56 -30.92 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.08 0.467 . . . . 0.0 111.276 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.41 -46.82 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.317 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -73.56 -37.72 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -69.97 -25.56 63.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.641 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.1 t 59.03 65.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.224 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.85 139.37 58.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.36 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.7 -173.88 14.05 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.23 -177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 39.3 mt-10 -79.88 -30.22 40.14 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 18.6 t70 70.28 -71.6 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 124.308 1.005 . . . . 0.0 110.808 -177.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.31 -166.24 1.24 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.088 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.83 -45.53 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.023 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 54.33 97.94 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.805 0.69 . . . . 0.0 111.677 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.55 54.22 2.85 Favored Glycine 0 N--CA 1.454 -0.131 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.56 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -156.78 101.84 1.99 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -175.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -65.8 156.41 33.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.232 0.539 . . . . 0.0 110.828 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -128.04 -64.33 0.96 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.579 -171.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -93.54 -10.05 36.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 0.0 110.464 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 57.07 38.03 28.96 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.133 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -150.49 -60.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m 67.97 113.66 0.04 OUTLIER 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.999 0.812 . . . . 0.0 112.383 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.95 118.28 4.65 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.27 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.78 -71.56 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.047 0.451 . . . . 0.0 110.388 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 m -77.87 -16.5 58.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.224 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.77 136.64 41.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.218 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 58.27 57.6 3.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.629 0.581 . . . . 0.0 111.04 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.7 m -83.47 127.09 33.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.05 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -78.91 139.15 38.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.9 t 64.84 -164.75 0.24 Allowed 'General case' 0 C--O 1.236 0.369 0 O-C-N 123.605 0.566 . . . . 0.0 110.006 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 60.44 48.35 7.82 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.563 0.697 . . . . 0.0 110.639 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.59 HD23 ' H ' ' A' ' 65' ' ' LEU . 2.2 pt? -131.31 148.32 69.69 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.628 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 65' ' ' LEU . 2.7 Cg_exo -76.09 84.2 1.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.698 2.266 . . . . 0.0 112.605 -177.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' HG2' ' HG ' ' A' ' 65' ' ' LEU . 21.9 mm-40 -88.06 122.89 69.68 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.288 175.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.26 155.38 62.04 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.5 2.133 . . . . 0.0 111.898 176.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -119.12 37.79 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.304 0.573 . . . . 0.0 110.529 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.58 96.5 3.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.453 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.252 1.21 0 O-C-N 123.812 0.695 . . . . 0.0 111.69 -177.147 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 121.032 0.444 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -83.82 -17.82 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.317 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -97.83 5.9 48.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.886 0.374 . . . . 0.0 110.641 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.34 161.58 29.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.295 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 57.15 28.2 14.65 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.07 0.548 . . . . 0.0 111.615 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -104.97 -4.31 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.437 0.637 . . . . 0.0 110.032 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -79.35 -3.34 45.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.274 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 12' ' ' VAL . 13.7 ptp180 -56.81 -30.14 63.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.83 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -69.61 -12.73 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.564 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.65 -33.19 53.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.203 0.525 . . . . 0.0 109.912 176.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.0 t -85.86 -38.72 17.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.105 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 8' ' ' ARG . 45.6 t -71.22 121.19 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 121.492 0.663 . . . . 0.0 110.341 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -149.2 18.42 0.96 Allowed 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.777 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.15 -179.1 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.249 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m 65.54 30.46 10.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.191 0.52 . . . . 0.0 110.829 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -82.49 78.55 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.339 0.59 . . . . 0.0 109.62 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 t -174.11 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.899 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.479 ' HB3' HG22 ' A' ' 21' ' ' THR . 74.5 m95 -130.49 8.83 5.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.58 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.0 m 62.96 20.88 12.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.017 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.28 24.35 74.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.361 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 18' ' ' TRP . 15.3 t -62.03 -31.33 71.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.517 0.198 . . . . 0.0 111.189 -177.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -66.94 -41.46 86.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.667 0.27 . . . . 0.0 110.908 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 16.6 pttm -82.77 -26.17 32.1 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.718 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' HG12 ' A' ' 28' ' ' ILE . 80.6 ttt180 -71.14 -47.46 57.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.782 0.325 . . . . 0.0 110.458 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.88 99.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.819 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' A' ' 23' ' ' LYS . 11.3 pt20 -68.14 -32.84 73.4 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.776 0.322 . . . . 0.0 111.004 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -67.92 -46.98 70.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 24' ' ' ARG . 48.4 mm -65.66 -36.49 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.296 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 tp -52.78 -55.42 23.06 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.689 0.28 . . . . 0.0 110.514 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 48.8 mm -61.76 -43.8 97.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -66.47 -44.47 82.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.55 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 3.2 tm? -69.99 -34.87 73.9 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -176.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 66.9 mt -54.31 -64.36 0.85 Allowed 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.149 0.499 . . . . 0.0 110.523 174.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 7.4 pt-20 -60.3 -30.26 69.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.549 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.11 -44.81 94.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.486 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.3 mt -66.92 -27.47 67.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.038 0.447 . . . . 0.0 110.723 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 33' ' ' LEU . 8.9 mp -76.91 -39.16 51.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.33 177.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.6 -46.5 59.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.378 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.61 -23.3 65.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.896 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.3 t 64.24 54.41 1.6 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.202 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 m -65.15 -34.88 79.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.637 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.54 -98.14 0.11 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.35 129.64 36.91 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.381 0.61 . . . . 0.0 111.211 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -98.64 -61.69 1.34 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.71 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.9 p -175.06 65.04 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.837 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.3 m -72.83 -22.64 20.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.989 0.423 . . . . 0.0 110.696 -177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -148.18 63.99 1.1 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.554 0.692 . . . . 0.0 109.427 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.42 37.47 3.47 Favored Glycine 0 C--N 1.317 -0.493 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.213 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -76.79 -38.48 53.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.214 -0.493 . . . . 0.0 110.829 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HG2' ' HG2' ' A' ' 51' ' ' ARG . 62.4 tttp -160.26 -79.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.278 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HG2' ' HG2' ' A' ' 50' ' ' LYS . 40.9 mmt180 -120.75 107.32 12.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.726 177.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -81.17 -26.37 36.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -92.72 52.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.78 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -60.37 137.32 58.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.879 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t 68.3 73.53 0.29 Allowed 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.816 0.697 . . . . 0.0 110.551 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.39 -90.65 1.59 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.904 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.22 72.74 0.48 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.257 0.551 . . . . 0.0 109.904 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -146.75 21.66 1.28 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.625 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -87.01 166.96 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.136 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -88.08 47.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.619 0.723 . . . . 0.0 109.848 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -76.73 81.22 3.35 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.864 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.91 -171.89 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.817 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 m -78.65 56.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.054 0.454 . . . . 0.0 110.771 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.76 54.66 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.451 0.643 . . . . 0.0 110.109 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.2 mm? -92.56 142.0 25.3 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.311 -177.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 65' ' ' LEU . 5.8 Cg_exo -77.63 56.99 5.82 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.782 2.322 . . . . 0.0 111.932 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -142.29 144.0 29.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.93 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.37 142.96 30.69 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 111.986 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -99.02 -6.15 29.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.954 0.406 . . . . 0.0 110.55 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.26 134.44 20.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.521 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.539 178.608 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.629 0.252 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m -88.55 -18.55 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.826 0.346 . . . . 0.0 110.414 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.71 106.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -133.76 -68.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.948 0.404 . . . . 0.0 111.053 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -106.27 124.4 49.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.512 0.672 . . . . 0.0 111.994 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -117.71 70.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.059 176.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -106.16 -74.63 0.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.14 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -75.46 -24.52 56.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.777 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -83.98 -4.84 59.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.651 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.89 -30.73 15.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 110.468 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -105.86 22.8 14.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.906 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -80.0 140.46 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.022 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 57.8 tttp 66.35 19.62 10.99 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.697 0.761 . . . . 0.0 110.075 -177.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.1 t -112.69 128.42 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.927 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 t -72.6 169.22 17.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.237 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -78.72 62.97 3.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.274 -177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.6 m -90.39 -82.46 0.28 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.151 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -107.88 -8.78 15.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.095 0.474 . . . . 0.0 110.33 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.5 m -54.06 -50.32 67.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.412 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.66 -12.77 79.53 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.179 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -64.81 -45.32 86.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.033 0.444 . . . . 0.0 111.018 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -75.09 -5.1 42.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.257 0.551 . . . . 0.0 110.854 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 63.2 tttp -78.84 -25.31 44.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.015 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -65.13 -13.79 58.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.171 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.99 -4.82 43.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 28.9 pt20 -70.1 -29.29 66.22 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -137.76 78.89 1.71 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.021 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.61 -14.29 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.825 -175.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.589 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.6 mm? -51.06 -44.09 61.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.016 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.437 HD13 ' C ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -68.75 -37.33 77.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.118 0.485 . . . . 0.0 109.901 -179.125 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -66.94 -34.08 76.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.652 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.597 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.7 tp -72.6 -35.33 67.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.916 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 88.0 mt -51.68 -63.47 1.12 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.115 0.483 . . . . 0.0 111.034 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -61.93 -33.41 74.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.494 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.8 -37.33 86.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.603 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 mt -66.94 -29.38 69.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.0 -39.84 68.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.992 0.425 . . . . 0.0 109.859 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.19 -47.04 81.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.295 0.569 . . . . 0.0 109.662 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -59.04 -39.72 82.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.826 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.17 -25.27 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.5 m -78.4 -50.95 10.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.499 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.95 105.3 2.11 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.608 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -59.44 126.34 27.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.799 0.809 . . . . 0.0 112.657 -174.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -121.95 4.55 9.92 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.5 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.33 60.59 6.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.072 -174.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 m -96.55 85.19 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.163 0.506 . . . . 0.0 111.247 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 68.46 -175.77 0.2 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.426 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.3 -67.29 2.04 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.56 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 60.54 -167.33 0.18 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.255 0.55 . . . . 0.0 111.448 176.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -126.48 151.91 47.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -83.55 61.03 6.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.428 0.632 . . . . 0.0 109.829 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -60.58 -52.58 64.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.966 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 49.58 59.87 4.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.293 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -94.78 120.6 35.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.5 m -114.66 140.78 48.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.58 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.02 105.26 2.31 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.854 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.47 85.0 2.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.001 0.429 . . . . 0.0 109.91 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -144.93 -26.79 0.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.523 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -136.9 84.41 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.655 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -106.31 52.31 0.73 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.546 0.689 . . . . 0.0 110.626 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.4 m -113.8 83.16 1.81 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.477 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -140.24 147.21 39.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.533 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -73.66 80.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.248 0.546 . . . . 0.0 110.231 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.93 87.6 1.15 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.502 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' H ' ' A' ' 65' ' ' LEU . 3.3 mm? -57.17 121.89 50.09 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.445 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 6.0 Cg_exo -74.21 74.77 3.49 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.588 2.192 . . . . 0.0 110.926 173.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 33.9 mm-40 70.8 108.21 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.854 -173.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.19 130.38 39.36 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.566 2.844 . . . . 0.0 113.356 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 pttm 41.32 38.01 0.73 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.469 1.107 . . . . 0.0 112.672 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -121.74 -17.02 7.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.951 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.2 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.672 -178.322 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.739 0.304 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p -122.49 118.18 54.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.771 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 21.6 tp 61.74 24.22 14.38 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.135 177.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -98.52 67.56 1.78 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.241 0.543 . . . . 0.0 110.012 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -108.71 -10.14 15.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.263 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.87 58.98 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.262 0.553 . . . . 0.0 111.371 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 p -110.82 -85.78 0.55 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.983 174.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -76.33 -18.58 58.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.079 0.466 . . . . 0.0 110.467 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -80.37 -17.31 52.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.076 175.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.26 -30.79 18.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.318 0.58 . . . . 0.0 109.839 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.7 m -83.15 51.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.046 174.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -87.45 130.09 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.967 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -134.09 6.82 3.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.681 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 p -101.26 136.57 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.163 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m 60.0 48.0 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.85 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.06 47.83 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.666 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 t -110.43 -28.87 8.35 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -150.12 24.44 0.83 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.061 0.458 . . . . 0.0 111.077 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -81.55 64.16 6.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.881 0.372 . . . . 0.0 111.035 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.96 31.12 75.23 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.263 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.846 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 9.7 t -82.53 -29.01 30.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -171.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -75.12 -24.01 57.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -127.09 -51.32 1.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.798 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -73.77 -57.43 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.044 0.45 . . . . 0.0 111.09 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.846 ' HB3' ' HA ' ' A' ' 21' ' ' THR . . . -66.1 -32.86 74.56 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -173.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.78 -23.96 54.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.682 0.277 . . . . 0.0 111.486 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -75.66 -57.47 3.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.2 mm -124.88 -47.77 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.638 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.8 mp -56.75 -44.26 81.54 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -171.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.8 mm -55.27 -42.24 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.707 0.289 . . . . 0.0 110.487 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -66.2 -53.26 39.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.139 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.51 -33.55 69.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.128 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 83.1 mt -58.81 -66.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 111.006 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.8 -28.39 69.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.574 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -65.01 -52.93 53.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.71 -40.98 98.86 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.51 -56.54 19.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.832 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.27 -41.33 93.06 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.46 0.648 . . . . 0.0 110.813 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -54.86 -44.91 74.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.247 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 p -98.22 -34.93 10.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 m -127.9 152.19 48.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.992 0.425 . . . . 0.0 110.827 -174.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.61 162.07 15.48 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.507 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.9 131.05 49.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.959 0.409 . . . . 0.0 110.896 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -77.57 -28.61 51.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.64 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.3 m 47.82 58.19 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.544 172.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.1 t -107.15 -12.37 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 67.71 -166.07 0.2 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.466 -1.243 . . . . 0.0 111.096 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.7 -15.38 61.71 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.661 -177.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -137.88 66.79 1.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HD3' ' OE1' ' A' ' 52' ' ' GLN . 43.6 tttp -90.41 -69.98 0.7 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.102 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HB3' ' HB2' ' A' ' 54' ' ' HIS . 24.9 mmt180 58.2 72.84 0.5 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.341 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' OE1' ' HD3' ' A' ' 50' ' ' LYS . 1.1 mp0 -41.9 -74.04 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.66 -1.155 . . . . 0.0 113.193 -167.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -101.07 43.83 1.04 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.45 0.643 . . . . 0.0 110.468 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 15.6 m80 -135.1 -56.7 0.81 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.04 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.6 m -101.47 -49.43 4.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.26 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.47 154.21 8.44 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.78 -10.26 16.81 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.802 0.334 . . . . 0.0 111.201 -178.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.5 m 58.5 26.4 14.24 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.203 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.594 ' H ' HD23 ' A' ' 57' ' ' LEU . 42.5 mt-10 -102.3 139.44 37.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.843 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -103.91 50.76 0.79 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.583 0.706 . . . . 0.0 109.913 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 m -87.97 74.47 8.94 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.99 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -81.85 74.75 8.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.052 0.929 . . . . 0.0 110.298 177.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -172.11 -36.85 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.015 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.26 67.2 0.79 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.684 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 65' ' ' LEU . 2.2 pt? -150.28 118.07 3.56 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.276 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.29 54.43 3.78 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.849 2.366 . . . . 0.0 111.483 177.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -108.73 103.52 51.81 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.177 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.24 87.05 0.62 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.71 2.273 . . . . 0.0 111.658 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -133.44 24.85 4.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.641 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.41 44.16 21.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.741 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.2 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.114 177.92 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.867 0.365 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.0 t -80.59 -69.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.897 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 4' ' ' ARG . 3.3 tt -147.02 126.6 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.91 0.386 . . . . 0.0 110.208 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.421 ' N ' HD23 ' A' ' 3' ' ' LEU . 3.3 mpt_? -112.28 112.26 23.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.113 175.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -78.88 146.5 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.962 0.411 . . . . 0.0 110.573 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.28 39.94 1.42 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.186 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -72.47 -22.28 61.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.144 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -72.87 -15.53 61.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.574 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -72.87 67.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.244 0.545 . . . . 0.0 110.901 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.29 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.237 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.5 m -148.44 47.4 1.04 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.758 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.18 139.99 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.904 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -118.06 -8.59 10.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.929 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.59 147.44 7.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.028 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 m -107.25 105.99 16.23 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.734 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -119.38 148.02 43.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.264 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.9 p -95.43 -166.05 1.39 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.878 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.55 ' HB2' ' HB ' ' A' ' 21' ' ' THR . 3.5 m-90 -87.62 24.95 1.57 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.676 0.274 . . . . 0.0 110.946 176.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.7 t 72.76 -72.4 0.12 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.763 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.13 27.05 10.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.438 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.55 ' HB ' ' HB2' ' A' ' 18' ' ' TRP . 5.4 t -75.24 -13.33 60.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.157 0.503 . . . . 0.0 110.752 -178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -78.44 27.69 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.354 0.597 . . . . 0.0 109.662 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' A' ' 21' ' ' THR . 45.9 mmtm 65.58 28.84 11.26 Favored 'General case' 0 CA--C 1.523 -0.061 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.023 175.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 26.4 tpt180 -89.16 -71.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.243 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.64 -31.6 46.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.799 0.333 . . . . 0.0 110.649 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.98 -25.7 65.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 30.2 ptt180 -68.06 -17.07 64.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.076 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.4 mm -103.24 -47.74 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.844 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.1 tp -53.48 -49.69 66.95 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.549 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 47.8 mm -69.67 -40.15 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.47 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.23 -44.32 97.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.312 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.98 -40.74 83.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.705 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 3.6 pp -66.75 -42.18 86.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.045 -175.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 10.5 pt-20 -72.0 -36.92 69.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 0.0 110.757 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.96 -45.23 86.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.348 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.56 -38.27 89.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.252 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 94.1 mt -62.49 -48.01 81.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.014 0.435 . . . . 0.0 110.504 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -68.59 -45.92 70.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.085 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -54.87 -44.41 74.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.301 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.3 m -77.44 -62.88 1.52 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.868 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.3 p -95.93 109.49 21.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.262 0.553 . . . . 0.0 111.059 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.83 47.26 0.82 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.256 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.21 -35.08 77.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.115 0.483 . . . . 0.0 110.403 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.03 -31.19 72.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.126 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.0 m -120.08 37.34 4.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.27 -27.9 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.294 0.568 . . . . 0.0 109.85 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.1 139.77 40.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.45 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.29 2.5 88.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 0.0 113.281 -174.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HA ' ' NH1' ' A' ' 51' ' ' ARG . 59.4 mttp 55.97 51.21 12.42 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.001 0.429 . . . . 0.0 110.164 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -52.98 -52.36 58.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.305 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.522 ' NH1' ' HA ' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -60.87 -19.33 59.94 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -178.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -103.17 3.84 36.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.982 0.42 . . . . 0.0 110.718 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 49.34 44.74 23.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.704 -174.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 75.41 -65.23 0.34 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.787 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.6 m -115.33 105.31 12.72 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.256 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.59 -91.78 0.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.48 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -167.14 -33.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.8 t 40.21 78.33 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.279 0.987 . . . . 0.0 111.898 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -72.9 53.98 0.36 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.076 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -89.13 42.71 1.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.937 0.875 . . . . 0.0 109.502 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.9 t -130.46 165.53 22.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.207 -175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -128.38 132.19 48.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.103 0.478 . . . . 0.0 110.891 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.3 t -119.04 127.18 53.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.085 174.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' C ' HD12 ' A' ' 65' ' ' LEU . . . -75.4 -18.67 59.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.304 0.574 . . . . 0.0 109.915 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 64' ' ' ALA . 7.2 mp -122.77 81.13 49.03 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.578 175.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.07 90.97 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.813 2.342 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 56.79 76.81 0.46 Allowed Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.373 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.65 67.28 7.3 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.792 2.328 . . . . 0.0 112.618 -176.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -86.28 -50.95 6.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 179.77 138.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.99 0.516 . . . . 0.0 109.809 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.405 HG23 ' OXT' ' A' ' 71' ' ' THR . 7.1 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.306 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 95.1 mmm . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 p -138.68 131.93 39.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.045 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -149.46 141.75 24.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.073 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -126.84 57.69 1.44 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.938 0.399 . . . . 0.0 110.672 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -143.09 168.63 19.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.866 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.22 -32.75 74.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.713 0.292 . . . . 0.0 110.641 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.3 p 49.86 -98.53 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.964 0.906 . . . . 0.0 112.215 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.658 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 21.6 ptt180 -78.54 -10.8 59.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.451 . . . . 0.0 111.408 -176.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -87.62 -7.8 57.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.51 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.13 -64.09 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 m -86.34 55.17 3.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.332 0.587 . . . . 0.0 110.1 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.658 ' HB ' ' O ' ' A' ' 8' ' ' ARG . 6.0 p -94.89 130.16 44.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.789 -177.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -85.79 -29.95 23.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.222 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.63 84.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.836 0.827 . . . . 0.0 111.507 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 t -158.1 69.6 0.53 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.049 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -143.77 77.29 1.55 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.836 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -113.0 -24.83 9.28 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.325 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -81.3 -8.65 59.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.148 0.499 . . . . 0.0 110.83 -175.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -73.57 -24.98 60.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.182 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.52 67.31 0.2 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 m -61.94 -71.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -170.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 4.6 tmmm? -63.97 -22.96 67.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.459 0.647 . . . . 0.0 109.455 -178.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -69.57 -47.04 64.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.049 -178.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HB2' HD12 ' A' ' 28' ' ' ILE . 12.4 ptt180 -90.2 -26.81 19.93 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.834 -177.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -69.37 -19.21 63.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 111.182 -177.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 2.3 pt20 -76.06 -10.61 59.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -132.62 -56.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.468 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.453 HD12 ' HB2' ' A' ' 24' ' ' ARG . 63.0 mt -63.57 -54.62 30.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -176.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.721 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.6 mm? -64.37 -24.61 67.7 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.008 -176.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.5 mm -72.8 -42.25 61.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.197 0.522 . . . . 0.0 109.687 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -66.31 -35.58 80.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.255 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.99 -29.53 67.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.029 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 88.6 mt -60.16 -64.52 0.92 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.332 0.587 . . . . 0.0 110.151 175.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.24 -31.13 67.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.08 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -66.23 -46.49 76.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.688 0.28 . . . . 0.0 110.459 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.07 -42.35 89.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.829 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 41' ' ' THR . 4.1 mm? -60.08 -44.04 95.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.783 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.25 -46.57 86.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.567 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -54.3 -65.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.315 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -178.21 53.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.405 ' HA ' HD13 ' A' ' 37' ' ' LEU . 27.7 m 71.57 -51.62 0.69 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.857 -173.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.08 -176.43 45.19 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -97.03 123.78 40.85 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 117.423 0.612 . . . . 0.0 110.261 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -120.28 -38.05 2.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.5 t 57.65 62.64 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.277 0.56 . . . . 0.0 110.13 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.9 t -71.39 -34.72 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.171 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -109.11 152.53 24.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.976 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 50' ' ' LYS . . . -112.8 54.11 0.56 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.406 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.72 126.13 26.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.98 0.419 . . . . 0.0 110.35 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 60.9 mttp -123.97 -170.12 2.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -177.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 1' ' ' MET . 38.5 mmt180 -107.97 112.48 25.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.839 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.49 -40.46 66.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.118 0.485 . . . . 0.0 110.502 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 62.32 10.02 3.63 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.267 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -140.64 10.61 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.014 0.435 . . . . 0.0 110.254 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -124.8 93.35 3.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.54 -175.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.75 -105.15 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.689 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.2 mm? 47.28 65.66 1.2 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.817 0.818 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.3 t -152.44 61.67 0.82 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.321 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 61.98 62.04 1.28 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.992 -174.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -128.46 49.07 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.16 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.3 m -88.26 111.32 21.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.903 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -57.63 114.44 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.147 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -80.73 64.38 5.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.355 0.598 . . . . 0.0 110.169 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.38 45.83 2.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.655 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -88.9 123.74 66.89 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.141 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.89 129.08 27.56 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.475 2.117 . . . . 0.0 111.199 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.446 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 10.6 pt-20 -57.76 128.29 80.03 Favored Pre-proline 0 C--N 1.331 -0.23 0 O-C-N 123.257 0.348 . . . . 0.0 111.291 -176.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 31.4 Cg_exo -60.16 101.31 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.877 2.385 . . . . 0.0 111.883 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -114.12 13.84 18.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.413 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.12 102.84 3.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.131 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.22 -179.602 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.272 0.558 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.2 t -128.26 -50.76 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.505 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.7 mt -74.69 114.27 12.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.487 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.61 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 3.2 mmp_? -123.69 -61.15 1.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -130.07 -65.49 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.161 0.505 . . . . 0.0 110.655 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.92 35.16 1.38 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.674 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 m -48.66 -55.43 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.783 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -98.7 -19.46 17.49 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.862 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.94 -31.46 66.84 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.728 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.69 -6.02 56.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.477 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -129.77 21.19 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 111.09 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.81 -55.17 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.248 0.547 . . . . 0.0 109.582 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -124.64 -63.19 1.2 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.476 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 18' ' ' TRP . 10.9 p -172.88 154.31 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.601 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.6 t -130.73 87.89 2.55 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 69.63 168.04 0.29 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.2 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.43 ' O ' ' HB ' ' A' ' 21' ' ' THR . 0.4 OUTLIER 74.24 -6.28 1.9 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.798 177.025 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.46 ' HB2' HG21 ' A' ' 14' ' ' VAL . 60.2 t-105 -71.49 -6.19 38.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.485 0.66 . . . . 0.0 110.611 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -74.88 -19.42 60.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.44 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.518 ' O ' HG22 ' A' ' 21' ' ' THR . . . -164.52 -46.19 0.02 OUTLIER Glycine 0 CA--C 1.507 -0.439 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.698 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 20' ' ' GLY . 5.7 t 56.87 2.87 0.11 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.305 1.442 . . . . 0.0 113.917 174.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt 54.18 32.98 17.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 0.0 110.642 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.6 mmtm 70.11 4.32 4.78 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.258 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 74.1 mtp180 -64.7 -50.92 65.05 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.417 -0.177 . . . . 0.0 111.42 -177.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.49 ' HB3' HG21 ' A' ' 21' ' ' THR . . . -55.42 -32.7 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -73.82 -27.72 61.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.454 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 37.2 ptt180 -89.34 -22.96 22.37 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' ' 24' ' ' ARG . 43.4 mm -61.37 -32.4 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.813 173.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 25' ' ' ALA . 70.7 mt -55.79 -35.59 66.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.57 176.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.781 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.4 mp -84.68 -43.33 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.934 177.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.63 -40.49 72.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.907 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -36.08 83.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.464 -178.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.781 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 3.6 pp -74.2 -34.59 63.78 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.094 -178.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 30' ' ' ILE . 37.6 mt-10 -69.01 -43.64 74.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.925 175.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.76 -45.44 93.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.141 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.71 -46.75 70.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.033 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.81 -53.75 41.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.345 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -57.86 -49.07 77.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.532 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -57.67 -48.0 80.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.05 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.2 m -72.34 -26.01 61.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.676 0.274 . . . . 0.0 110.662 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.3 m 70.34 -69.2 0.18 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.786 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.63 111.95 1.13 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.591 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.19 129.64 34.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.248 0.547 . . . . 0.0 111.42 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -123.53 -67.16 0.95 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.114 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 m 57.95 34.87 24.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.527 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.2 t -99.74 -39.99 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.258 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -117.24 61.02 0.75 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.298 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.4 59.47 4.04 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.858 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -78.35 -51.93 9.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -86.7 170.4 11.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.873 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 52.64 32.89 12.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.401 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -86.1 -74.19 0.43 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.951 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -147.88 29.87 0.9 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.04 0.447 . . . . 0.0 110.814 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -136.95 142.0 42.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.488 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.1 p -135.8 117.62 15.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.728 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.08 159.01 27.81 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.764 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 pp -85.21 -24.34 27.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.13 0.49 . . . . 0.0 110.329 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 61' ' ' THR . 3.2 m -73.55 -9.26 58.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.906 178.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -75.73 132.24 40.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.002 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 59.24 49.05 9.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.187 0.517 . . . . 0.0 110.816 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 58' ' ' THR . 3.3 p -54.56 -70.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.749 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -97.09 59.56 1.64 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.735 0.779 . . . . 0.0 109.316 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.8 m -149.65 167.84 25.26 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.304 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 55.92 68.89 0.8 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.509 0.506 . . . . 0.0 110.589 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.27 119.02 20.58 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.624 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.83 117.17 2.56 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.391 2.727 . . . . 0.0 112.992 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.55 138.31 93.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.988 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.83 105.17 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.772 2.314 . . . . 0.0 111.761 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -131.41 37.04 3.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.689 0.757 . . . . 0.0 109.874 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.77 46.01 1.13 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.186 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.585 177.508 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.982 0.42 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 p -87.59 135.04 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.096 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' HB3' ' HA ' ' A' ' 7' ' ' SER . 68.1 mt -81.63 56.38 2.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.439 . . . . 0.0 111.158 -177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' HG3' ' HG3' ' A' ' 5' ' ' GLN . 37.5 ptt180 -89.93 -19.06 24.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.776 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.446 ' HG3' ' HG3' ' A' ' 4' ' ' ARG . 78.0 mt-30 -106.65 -48.49 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.896 0.379 . . . . 0.0 110.462 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.01 93.81 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.216 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' A' ' 3' ' ' LEU . 7.4 m -85.39 -52.21 6.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.766 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -108.13 -23.59 11.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.052 0.453 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 99.4 mttt -91.55 23.77 3.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.015 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.67 -35.98 12.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.1 t -87.67 -57.52 2.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.861 175.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 9' ' ' LYS . 37.5 t -97.95 114.65 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-O 121.367 0.603 . . . . 0.0 109.907 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -115.29 -7.7 12.34 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.679 -175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.7 t 68.93 -70.06 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.23 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -119.1 120.18 36.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.122 0.487 . . . . 0.0 110.664 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -130.27 53.16 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.554 0.692 . . . . 0.0 109.598 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.559 HG22 ' CD1' ' A' ' 18' ' ' TRP . 43.4 m -148.61 133.44 17.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.266 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CD1' HG22 ' A' ' 17' ' ' THR . 90.1 m95 64.72 11.48 6.85 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.544 0.528 . . . . 0.0 110.751 -178.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -73.72 93.54 2.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.547 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.85 -30.04 9.03 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.121 -0.561 . . . . 0.0 111.761 -177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 40.23 -91.54 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.76 1.224 . . . . 0.0 113.169 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.04 -36.1 74.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.939 0.399 . . . . 0.0 110.682 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -83.25 6.26 20.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.262 0.553 . . . . 0.0 110.228 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -110.98 -48.58 3.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.558 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -66.17 -59.97 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.974 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.31 -35.67 78.0 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.792 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -53.34 -55.82 21.71 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.159 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.19 -41.56 89.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.777 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 25' ' ' ALA . 86.3 mt -57.2 -54.1 50.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.017 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.559 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.8 mp -65.25 -43.68 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.585 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.14 -39.57 82.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 67.8 tp -84.62 -37.74 20.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.85 -175.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 3.5 pp -63.12 -41.2 99.29 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.742 -175.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 30' ' ' ILE . 10.2 pt-20 -69.79 -33.11 71.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.981 0.419 . . . . 0.0 110.658 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -66.85 -45.17 79.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.285 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.3 mt -60.39 -37.62 81.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.942 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 77.9 mt -77.36 -2.59 35.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.391 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -112.26 -49.63 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.314 0.578 . . . . 0.0 110.365 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.95 -37.43 82.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.96 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -149.87 78.23 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 37' ' ' LEU . 15.3 t -84.18 -179.47 7.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.586 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.69 -154.16 17.13 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.73 -66.57 0.69 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.979 0.39 . . . . 0.0 110.808 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.6 t70 54.03 55.44 8.31 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.819 0.819 . . . . 0.0 109.986 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -71.88 89.36 1.07 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.842 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.05 -28.08 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.43 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -122.87 137.7 54.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.916 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.62 4.66 85.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.482 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 65.85 121.45 0.02 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.514 0.726 . . . . 0.0 111.026 -177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 50' ' ' LYS . 13.9 tmtt? -53.75 125.34 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.169 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -62.93 118.65 8.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.647 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -81.44 -9.55 59.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.898 174.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 41.65 58.18 2.83 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.964 0.905 . . . . 0.0 112.885 173.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -131.73 136.8 47.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.849 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 p -73.79 91.17 1.92 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.191 0.519 . . . . 0.0 111.024 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.2 -179.0 29.95 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.66 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -126.04 -60.39 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 p -88.5 -44.0 11.01 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.525 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' OE2' ' HA ' ' A' ' 63' ' ' SER . 41.7 tt0 -105.52 83.68 1.98 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.391 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -93.06 47.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.319 -171.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.5 m -137.51 -72.36 0.43 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.973 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -160.54 146.3 14.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.412 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 27.2 p -62.01 99.59 0.13 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.154 0.502 . . . . 0.0 110.788 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.67 74.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.437 0.637 . . . . 0.0 110.833 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.81 119.18 76.39 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.138 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.06 101.17 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.393 2.062 . . . . 0.0 110.36 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 6.4 mm-40 63.7 85.89 0.16 Allowed Pre-proline 0 C--O 1.233 0.203 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -171.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.64 88.74 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.279 2.653 . . . . 0.0 113.365 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 79.0 mttt -82.09 -28.08 32.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 175.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.03 143.98 22.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.866 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.329 -177.529 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mtm . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.614 0.245 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.547 HG12 ' H ' ' A' ' 4' ' ' ARG . 66.4 t 70.61 112.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.139 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.8 mp -93.53 28.29 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.473 0.654 . . . . 0.0 110.242 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.547 ' H ' HG12 ' A' ' 2' ' ' VAL . 4.5 tpt180 -135.42 43.42 2.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.379 -177.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -80.45 -64.6 1.15 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.975 -175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -77.89 -25.88 48.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.987 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 t -77.71 52.87 1.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.239 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 3.0 ppt_? -172.24 -32.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.137 176.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 8' ' ' ARG . 14.8 ptmm? -87.98 4.4 45.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.17 -10.98 26.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.887 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -163.83 63.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.345 0.593 . . . . 0.0 110.345 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 14' ' ' VAL . 12.9 p -108.82 -33.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.927 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? 37.44 68.64 0.28 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.573 1.149 . . . . 0.0 113.029 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.525 HG23 HG22 ' A' ' 12' ' ' VAL . 83.9 t -122.65 -24.45 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.728 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.4 p -77.51 53.86 1.11 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -172.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -175.0 150.64 1.23 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -112.83 -13.87 13.14 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.608 0.718 . . . . 0.0 109.22 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 55.92 27.38 11.0 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.555 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -131.44 121.66 24.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.542 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 38.0 13.6 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.789 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -90.89 8.22 36.09 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 58.32 32.55 22.2 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.943 -171.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 8.9 ptpp? 44.96 26.61 0.22 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.982 -175.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.82 -58.79 5.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.916 0.389 . . . . 0.0 110.948 -172.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.6 24.64 0.84 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.889 -174.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.463 ' O ' HG12 ' A' ' 30' ' ' ILE . 3.9 pt20 -129.64 -40.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.715 174.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 14.9 ptm180 -75.25 -30.35 60.47 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.584 -0.447 . . . . 0.0 111.129 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.9 mt -65.02 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.976 0.417 . . . . 0.0 110.229 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.8 mp -65.31 -40.73 94.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.534 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 26' ' ' GLN . 51.5 mm -65.85 -41.73 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.41 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.07 -42.42 97.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.469 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.99 -37.77 83.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.525 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 91.4 mt -56.26 -65.45 0.6 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.266 0.555 . . . . 0.0 110.781 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.87 -31.42 69.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.818 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -70.82 -53.9 13.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.929 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB3' ' HA3' ' A' ' 42' ' ' GLY . 72.3 mt -64.95 -38.58 91.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.536 -176.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -76.22 -20.36 57.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 -178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -83.23 -41.96 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -57.86 -53.03 62.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.226 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -174.43 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 p -135.43 -45.4 0.69 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.083 0.468 . . . . 0.0 110.296 173.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' A' ' 36' ' ' LEU . . . 112.6 170.02 17.95 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.67 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -63.94 159.05 20.71 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.927 0.394 . . . . 0.0 110.589 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.62 43.45 1.06 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m 59.64 82.22 0.16 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.708 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.8 m -63.05 -34.61 67.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.429 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t70 49.05 86.1 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.155 0.91 . . . . 0.0 112.198 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.44 56.03 3.51 Favored Glycine 0 C--N 1.316 -0.568 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.625 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -92.57 -82.07 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.934 0.397 . . . . 0.0 110.191 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -70.26 130.38 41.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.292 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -87.61 157.03 19.22 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.163 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.25 -67.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.898 0.38 . . . . 0.0 111.212 -175.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.3 51.43 2.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.441 0.638 . . . . 0.0 110.354 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -70.52 -18.41 62.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.553 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t -129.1 159.15 36.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.563 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.32 110.08 0.61 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.829 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.35 -69.06 0.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.382 0.611 . . . . 0.0 110.159 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -91.15 39.46 0.99 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.651 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 54.28 -160.38 0.15 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.437 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -124.59 58.28 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.3 p -77.03 -171.58 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.369 -175.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 66' ' ' PRO . 45.9 t80 -50.84 110.73 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.404 0.621 . . . . 0.0 111.347 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 m -98.98 176.39 5.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.734 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 66.31 92.1 0.08 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.777 0.673 . . . . 0.0 111.437 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.1 mt 56.12 67.26 2.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.292 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.438 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 35.2 Cg_exo -62.45 135.75 55.22 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.556 2.17 . . . . 0.0 111.254 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.91 118.75 74.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.019 0.438 . . . . 0.0 111.46 -176.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -91.86 72.81 0.72 Allowed 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 123.043 2.495 . . . . 0.0 111.85 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.78 -39.26 66.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.354 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 65.85 -78.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.612 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.028 -178.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.796 0.331 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -85.93 149.71 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.152 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.7 pt? -72.96 -179.71 3.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.195 177.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 4' ' ' ARG . 61.5 ttt180 69.35 16.73 8.31 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.749 0.785 . . . . 0.0 109.878 -175.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 3.9 pt20 -87.79 -6.9 57.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.616 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.48 -0.33 56.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.407 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m -86.94 -33.0 19.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.519 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 38.1 ptt180 -73.44 -13.11 61.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.662 -176.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -60.46 -21.35 62.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.135 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.38 -4.58 57.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.275 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 m -146.78 31.42 0.96 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.033 0.444 . . . . 0.0 110.602 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.4 p -101.39 -20.93 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.298 0.571 . . . . 0.0 110.327 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.14 -21.26 12.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.811 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.0 t -59.07 113.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.702 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 19' ' ' SER . 46.9 m 55.71 38.02 29.59 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.821 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -134.71 70.34 1.44 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.42 0.628 . . . . 0.0 110.736 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 t -147.63 -42.21 0.17 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.784 171.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -133.34 17.58 4.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.071 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' A' ' 15' ' ' SER . 23.7 t -126.03 128.41 47.38 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.271 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.97 36.31 85.97 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.059 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -145.82 -41.11 0.22 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.666 0.27 . . . . 0.0 110.562 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -70.74 -49.35 47.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.427 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 26' ' ' GLN . 96.4 mttt -82.84 -27.96 30.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.403 0.62 . . . . 0.0 110.151 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -69.8 -26.03 64.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.94 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.13 -11.96 45.44 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 23' ' ' LYS . 13.9 pt20 -102.74 -2.84 27.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.241 0.543 . . . . 0.0 109.798 175.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -137.48 40.74 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.378 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.99 -41.87 81.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.706 -177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.88 -35.85 81.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 110.833 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.706 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.1 mp -70.88 -47.71 61.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.043 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -59.95 -33.22 71.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.228 0.537 . . . . 0.0 109.868 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 8.1 tt -65.2 -42.65 93.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.632 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 3.3 pp -70.2 -33.53 71.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.073 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 30' ' ' ILE . 38.3 mt-10 -62.69 -39.47 94.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.289 0.566 . . . . 0.0 109.758 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -63.49 -40.95 98.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.244 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.4 mt -60.34 -39.95 88.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 110.572 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 74.6 mt -72.54 -38.92 67.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.686 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.08 -49.83 40.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -66.86 -17.34 64.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.661 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 23.0 t 68.84 46.52 0.88 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.229 176.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.8 p -62.73 143.07 57.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.61 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.19 2.48 26.42 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.656 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 40' ' ' CYS . 17.3 mm-40 -57.12 -52.19 66.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.222 0.534 . . . . 0.0 110.058 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -102.75 97.38 7.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.514 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.5 t -134.38 69.41 1.46 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.695 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.7 m -109.04 -28.0 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.314 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.7 t70 68.93 -8.66 0.64 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.104 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.58 7.37 53.88 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -113.87 -178.04 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -84.36 -82.69 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 58.58 101.5 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.145 0.578 . . . . 0.0 112.522 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -61.38 -26.84 68.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.543 -176.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -75.79 -9.88 58.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -105.24 136.17 45.25 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t 73.66 -43.84 0.56 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.84 0.712 . . . . 0.0 110.538 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.39 172.38 21.5 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.826 174.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.07 -72.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.154 0.502 . . . . 0.0 109.649 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.0 p -96.18 7.31 46.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.951 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.2 104.88 5.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.378 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -158.54 85.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.71 0.767 . . . . 0.0 109.94 -175.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.0 m -54.35 119.41 5.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.15 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -89.38 154.17 20.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.392 . . . . 0.0 109.989 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.0 t -155.39 61.79 0.62 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.205 0.526 . . . . 0.0 110.146 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.58 21.35 12.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.0 mt 63.89 84.47 0.18 Allowed Pre-proline 0 N--CA 1.463 0.192 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.46 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -79.14 53.22 4.61 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.888 2.392 . . . . 0.0 112.078 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.18 113.37 58.95 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.585 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.56 153.24 79.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.745 2.297 . . . . 0.0 111.926 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -109.7 20.27 18.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.666 -177.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 55.85 43.68 27.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.267 0.556 . . . . 0.0 111.395 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.221 -179.01 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t 68.12 105.63 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 O-C-N 123.504 0.502 . . . . 0.0 109.982 -175.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.5 mt 63.28 68.9 0.59 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.524 -173.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -59.43 134.57 57.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.432 -174.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 58.88 97.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.976 0.798 . . . . 0.0 111.981 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.9 mt -84.89 67.52 10.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.061 0.458 . . . . 0.0 110.444 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m -95.3 -76.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.088 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -76.5 -26.29 55.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 110.21 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -73.94 -5.52 41.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 176.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.08 -31.7 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.293 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -67.66 -32.6 73.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.443 0.64 . . . . 0.0 110.225 176.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.38 138.16 39.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.613 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.45 -45.26 26.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.411 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 p -165.87 132.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.696 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t 60.49 86.02 0.1 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.219 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -76.32 -23.41 54.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.859 0.838 . . . . 0.0 108.798 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 19' ' ' SER . 52.8 m -142.9 152.23 41.87 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -78.51 39.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.425 0.631 . . . . 0.0 110.598 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 17' ' ' THR . 40.9 m -150.9 122.25 7.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.448 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.19 -119.8 6.03 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.76 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.7 t 44.43 42.6 5.56 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.067 0.947 . . . . 0.0 112.696 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.2 tttt 53.31 37.71 26.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.847 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 65.23 12.64 8.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.051 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -83.49 48.73 1.45 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.668 0.747 . . . . 0.0 110.14 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.14 -57.18 0.07 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.676 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.91 -38.38 90.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.161 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -75.35 -31.42 60.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.499 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.476 ' HA ' ' HB3' ' A' ' 31' ' ' PHE . 41.7 mt -65.96 -26.19 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.595 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.18 -36.16 76.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.042 0.448 . . . . 0.0 110.58 175.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.641 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 2.6 mp -85.01 -43.34 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.809 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' A' ' 28' ' ' ILE . 75.5 t80 -55.69 -37.91 68.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.575 176.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.3 tp -60.7 -47.67 85.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.958 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 3.3 pp -64.69 -39.24 93.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.869 -174.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.29 -30.82 54.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.075 0.464 . . . . 0.0 110.596 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -71.24 -36.68 71.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.356 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.1 mt -64.64 -34.85 79.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.847 0.356 . . . . 0.0 110.776 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 33' ' ' LEU . 4.6 mm? -83.24 8.31 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.765 0.316 . . . . 0.0 111.002 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -120.58 -50.25 2.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.41 0.624 . . . . 0.0 110.08 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -66.0 -42.74 89.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.696 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 p -121.97 63.22 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.329 0.585 . . . . 0.0 110.97 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 m -86.87 -37.49 17.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.25 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.09 -54.12 0.66 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -114.69 145.72 41.72 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -88.91 -55.72 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.066 0.46 . . . . 0.0 110.917 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.485 ' HB2' ' NE2' ' A' ' 52' ' ' GLN . 45.3 m -148.72 131.85 16.36 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.17 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.6 -38.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.34 0.59 . . . . 0.0 109.851 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -141.68 -179.88 6.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.72 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.13 -10.36 8.8 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.07 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttm 54.49 59.05 4.38 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.249 0.547 . . . . 0.0 110.622 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 51' ' ' ARG . 58.0 tttp -112.28 166.91 10.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.856 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -70.29 75.75 0.53 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.323 -179.24 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' A' ' 45' ' ' SER . 81.9 mm-40 -81.63 -72.64 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -106.71 -23.26 12.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.33 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -148.46 153.85 39.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.502 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.7 t -95.15 -50.57 5.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.455 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.44 -139.69 6.87 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.901 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 58.44 66.84 1.02 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.545 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.4 p -95.96 3.99 53.06 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.363 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -121.73 123.76 42.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.255 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 59.13 48.25 10.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.594 0.712 . . . . 0.0 109.947 -176.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.6 m -75.41 -63.46 1.28 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.582 -175.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -98.87 21.81 11.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.393 0.616 . . . . 0.0 110.488 -173.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 p -88.88 -3.4 58.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.365 0.603 . . . . 0.0 110.112 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.2 68.91 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.304 174.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tt -56.87 115.96 11.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.016 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.95 117.23 4.97 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.645 2.23 . . . . 0.0 111.428 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 70.05 103.82 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.828 0.705 . . . . 0.0 111.431 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.48 61.43 5.2 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -95.08 20.08 9.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.357 0.599 . . . . 0.0 110.459 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.58 22.37 5.95 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.671 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.551 -178.516 . . . . . . . . 0 0 . 1 stop_ save_